USER MOD reduce.3.24.130724 H: found=0, std=0, add=1944, rem=0, adj=71 USER MOD reduce.3.24.130724 removed 1943 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 86 CYS SG : rot 37:sc= -4.32! USER MOD Set 1.2: C1934 MET CE :methyl -144:sc= -3.5! (180deg=-2.33!) USER MOD Set 2.1: B 81 CYS SG : rot -80:sc= -12.6! USER MOD Set 2.2: B 85 MET CE :methyl -169:sc= 0 (180deg=-0.153) USER MOD Set 3.1: B 64 SER OG : rot 170:sc= 0.166 USER MOD Set 3.2: C1920 LYS NZ :NH3+ -153:sc= 0.213 (180deg=0) USER MOD Set 4.1: A 12 MET CE :methyl -170:sc=-0.00641 (180deg=-0.192) USER MOD Set 4.2: A 80 SER OG : rot -103:sc= -2.42! USER MOD Set 4.3: B 12 MET CE :methyl -140:sc= -3.97! (180deg=-6.93!) USER MOD Set 5.1: A 81 CYS SG : rot 39:sc= -5.18! USER MOD Set 5.2: A 84 MET CE :methyl -177:sc= -3.61! (180deg=-3.4!) USER MOD Set 5.3: C1910 MET CE :methyl -170:sc= -5.81! (180deg=-6.36!) USER MOD Set 6.1: A 76 CYS SG : rot -59:sc= -4.57! USER MOD Set 6.2: B 84 MET CE :methyl 158:sc= -5.2! (180deg=-10.3!) USER MOD Set 7.1: A 64 SER OG : rot -39:sc= 1.21 USER MOD Set 7.2: C1911 ASN :FLIP amide:sc= -0.607 F(o=-0.82,f=0.6) USER MOD Set 8.1: A 57 LYS NZ :NH3+ 165:sc= 1.19 (180deg=0) USER MOD Set 8.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 8.3: A 61 ASN : amide:sc= 0.198 K(o=0.2,f=-8.5!) USER MOD Set 8.4: C1904 THR OG1 : rot -90:sc= -1.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0376 (180deg=0) USER MOD Single : A 3 CYS SG : rot 162:sc= 0.0327 USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00155) USER MOD Single : A 14 SER OG : rot 82:sc= 1.27 USER MOD Single : A 15 THR OG1 : rot -137:sc= 0.174 USER MOD Single : A 17 HIS :FLIP no HE2:sc= 0.244 F(o=-1.1,f=0.24) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.09) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 20 SER OG : rot -86:sc= -1.95! USER MOD Single : A 22 LYS NZ :NH3+ -148:sc= 1.16 (180deg=-0.188!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 0.484 (180deg=-0.287!) USER MOD Single : A 30 ASN : amide:sc= -1.08! C(o=-1.1!,f=-5.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -163:sc= 1.28 USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= 1.14 (180deg=0.981) USER MOD Single : A 39 THR OG1 : rot -69:sc= -1.26! USER MOD Single : A 44 SER OG : rot 117:sc= 1.28 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 100:sc= -2.79! USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0513 F(o=-1.5!,f=-0.051) USER MOD Single : A 59 MET CE :methyl 172:sc= -3.41! (180deg=-3.93!) USER MOD Single : A 65 ASN : amide:sc= -0.0583 K(o=-0.058,f=-2.6) USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 73 GLN : amide:sc= -2.12! C(o=-2.1!,f=-3.9!) USER MOD Single : A 75 TYR OH : rot 30:sc= -0.627 USER MOD Single : A 85 MET CE :methyl 172:sc= -6.11! (180deg=-6.62!) USER MOD Single : A 86 CYS SG : rot -27:sc= -0.185 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.0355 F(o=-0.9,f=-0.036) USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.07) USER MOD Single : A 97 GLN : amide:sc= 0.78 K(o=0.78,f=-6.7!) USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= -0.0185 (180deg=-0.179) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -172:sc=-0.00582 (180deg=-0.132) USER MOD Single : B 3 CYS SG : rot 161:sc= 0.023 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 SER OG : rot 68:sc= 1.23 USER MOD Single : B 15 THR OG1 : rot -141:sc= 0.286 USER MOD Single : B 17 HIS :FLIP no HE2:sc= -0.737 F(o=-1.3,f=-0.74) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : B 19 TYR OH : rot 180:sc= -0.176 USER MOD Single : B 20 SER OG : rot -99:sc= -2.11! USER MOD Single : B 22 LYS NZ :NH3+ -147:sc= 1.21 (180deg=-0.0157!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -158:sc= 0.928 (180deg=-0.224!) USER MOD Single : B 30 ASN : amide:sc= -1.24! C(o=-1.2!,f=-5.9!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -156:sc= 1.26 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 1:sc= -1.35! USER MOD Single : B 44 SER OG : rot 157:sc= 1.23 USER MOD Single : B 48 LYS NZ :NH3+ 162:sc= 0.92 (180deg=-0.00831!) USER MOD Single : B 50 THR OG1 : rot 53:sc= 0.2 USER MOD Single : B 56 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : B 57 LYS NZ :NH3+ -167:sc= 1.14 (180deg=0.711) USER MOD Single : B 59 MET CE :methyl 152:sc= -3.77! (180deg=-4.4!) USER MOD Single : B 60 SER OG : rot -25:sc= 0.328 USER MOD Single : B 61 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.42) USER MOD Single : B 65 ASN : amide:sc= -0.0044 X(o=-0.0044,f=-0.45) USER MOD Single : B 68 ASN :FLIP amide:sc= -0.0315 F(o=-1.8!,f=-0.032) USER MOD Single : B 73 GLN : amide:sc= 0.00731 X(o=0.0073,f=-0.45) USER MOD Single : B 75 TYR OH : rot -15:sc= -0.2 USER MOD Single : B 76 CYS SG : rot -83:sc= -0.317 USER MOD Single : B 80 SER OG : rot 31:sc= -2.61! USER MOD Single : B 87 ASN : amide:sc= -0.789 K(o=-0.79,f=-4.6!) USER MOD Single : B 96 LYS NZ :NH3+ 168:sc= 2.23 (180deg=1.6) USER MOD Single : B 97 GLN :FLIP amide:sc= -0.0638 F(o=-0.88,f=-0.064) USER MOD Single : B 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C1897 GLN : amide:sc= 0.324 K(o=0.32,f=-6.1!) USER MOD Single : C1906 THR OG1 : rot 180:sc= 0.0472 USER MOD Single : C1915 SER OG : rot -87:sc= 0.675 USER MOD Single : C1916 SER OG : rot 180:sc= 0 USER MOD Single : C1918 LYS NZ :NH3+ -175:sc= 0.679 (180deg=0.663) USER MOD Single : C1919 ASN : amide:sc= 0.592 K(o=0.59,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN C1897 -19.046 -6.649 4.222 1.00 1.90 N ATOM 2 CA GLN C1897 -18.275 -7.166 3.069 1.00 1.28 C ATOM 3 C GLN C1897 -17.432 -8.345 3.516 1.00 1.03 C ATOM 4 O GLN C1897 -17.001 -8.411 4.662 1.00 1.73 O ATOM 5 CB GLN C1897 -17.382 -6.076 2.468 1.00 1.38 C ATOM 6 CG GLN C1897 -16.756 -6.447 1.124 1.00 1.18 C ATOM 7 CD GLN C1897 -17.777 -6.894 0.089 1.00 1.58 C ATOM 8 OE1 GLN C1897 -18.939 -6.509 0.138 1.00 2.33 O ATOM 9 NE2 GLN C1897 -17.348 -7.707 -0.862 1.00 1.78 N ATOM 0 HA GLN C1897 -18.975 -7.487 2.297 1.00 1.28 H new ATOM 0 HB2 GLN C1897 -17.971 -5.168 2.343 1.00 1.38 H new ATOM 0 HB3 GLN C1897 -16.586 -5.844 3.175 1.00 1.38 H new ATOM 0 HG2 GLN C1897 -16.208 -5.588 0.737 1.00 1.18 H new ATOM 0 HG3 GLN C1897 -16.030 -7.246 1.277 1.00 1.18 H new ATOM 0 HE21 GLN C1897 -16.374 -8.009 -0.874 1.00 1.78 H new ATOM 0 HE22 GLN C1897 -17.991 -8.032 -1.584 1.00 1.78 H new ATOM 20 N ARG C1898 -17.161 -9.249 2.597 1.00 0.67 N ATOM 21 CA ARG C1898 -16.606 -10.532 2.936 1.00 0.76 C ATOM 22 C ARG C1898 -15.168 -10.638 2.474 1.00 0.64 C ATOM 23 O ARG C1898 -14.699 -11.685 2.034 1.00 0.95 O ATOM 24 CB ARG C1898 -17.484 -11.633 2.346 1.00 1.15 C ATOM 25 CG ARG C1898 -17.743 -11.538 0.843 1.00 1.54 C ATOM 26 CD ARG C1898 -18.938 -10.643 0.506 1.00 2.04 C ATOM 27 NE ARG C1898 -20.036 -10.780 1.464 1.00 2.71 N ATOM 28 CZ ARG C1898 -20.945 -9.827 1.696 1.00 3.58 C ATOM 29 NH1 ARG C1898 -20.896 -8.674 1.035 1.00 3.84 N ATOM 30 NH2 ARG C1898 -21.904 -10.025 2.591 1.00 4.54 N ATOM 0 H ARG C1898 -17.321 -9.111 1.599 1.00 0.67 H new ATOM 0 HA ARG C1898 -16.593 -10.650 4.020 1.00 0.76 H new ATOM 0 HB2 ARG C1898 -17.018 -12.596 2.556 1.00 1.15 H new ATOM 0 HB3 ARG C1898 -18.444 -11.624 2.863 1.00 1.15 H new ATOM 0 HG2 ARG C1898 -16.852 -11.150 0.349 1.00 1.54 H new ATOM 0 HG3 ARG C1898 -17.919 -12.537 0.445 1.00 1.54 H new ATOM 0 HD2 ARG C1898 -18.612 -9.603 0.480 1.00 2.04 H new ATOM 0 HD3 ARG C1898 -19.300 -10.888 -0.492 1.00 2.04 H new ATOM 0 HE ARG C1898 -20.112 -11.653 1.985 1.00 2.71 H new ATOM 0 HH11 ARG C1898 -20.162 -8.512 0.346 1.00 3.84 H new ATOM 0 HH12 ARG C1898 -21.593 -7.952 1.217 1.00 3.84 H new ATOM 0 HH21 ARG C1898 -21.949 -10.906 3.104 1.00 4.54 H new ATOM 0 HH22 ARG C1898 -22.596 -9.297 2.766 1.00 4.54 H new ATOM 44 N GLU C1899 -14.484 -9.528 2.634 1.00 0.40 N ATOM 45 CA GLU C1899 -13.082 -9.398 2.310 1.00 0.29 C ATOM 46 C GLU C1899 -12.588 -8.076 2.869 1.00 0.24 C ATOM 47 O GLU C1899 -11.566 -8.014 3.534 1.00 0.27 O ATOM 48 CB GLU C1899 -12.877 -9.459 0.797 1.00 0.30 C ATOM 49 CG GLU C1899 -13.779 -8.513 0.026 1.00 0.35 C ATOM 50 CD GLU C1899 -14.233 -9.097 -1.290 1.00 0.62 C ATOM 51 OE1 GLU C1899 -13.448 -9.115 -2.253 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.394 -9.555 -1.360 1.00 0.97 O ATOM 0 H GLU C1899 -14.897 -8.671 3.002 1.00 0.40 H new ATOM 0 HA GLU C1899 -12.516 -10.219 2.751 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.837 -9.224 0.569 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -13.055 -10.478 0.455 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -14.651 -8.271 0.633 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -13.249 -7.578 -0.158 1.00 0.35 H new ATOM 59 N LEU C1900 -13.382 -7.035 2.639 1.00 0.24 N ATOM 60 CA LEU C1900 -13.065 -5.680 3.067 1.00 0.25 C ATOM 61 C LEU C1900 -13.191 -5.521 4.583 1.00 0.28 C ATOM 62 O LEU C1900 -12.831 -4.486 5.137 1.00 0.44 O ATOM 63 CB LEU C1900 -14.015 -4.706 2.361 1.00 0.33 C ATOM 64 CG LEU C1900 -13.385 -3.693 1.404 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.871 -3.798 1.381 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.965 -3.855 0.014 1.00 0.31 C ATOM 0 H LEU C1900 -14.271 -7.111 2.146 1.00 0.24 H new ATOM 0 HA LEU C1900 -12.030 -5.465 2.801 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.746 -5.291 1.802 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -14.564 -4.155 3.124 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.626 -2.695 1.769 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.466 -3.060 0.688 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -11.478 -3.612 2.380 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.580 -4.798 1.058 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.508 -3.128 -0.658 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.763 -4.862 -0.350 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -15.042 -3.691 0.048 1.00 0.31 H new ATOM 78 N GLU C1901 -13.702 -6.548 5.252 1.00 0.27 N ATOM 79 CA GLU C1901 -13.860 -6.503 6.699 1.00 0.34 C ATOM 80 C GLU C1901 -12.586 -6.994 7.378 1.00 0.37 C ATOM 81 O GLU C1901 -12.209 -6.503 8.437 1.00 0.52 O ATOM 82 CB GLU C1901 -15.065 -7.334 7.134 1.00 0.48 C ATOM 83 CG GLU C1901 -15.397 -7.206 8.611 1.00 1.00 C ATOM 84 CD GLU C1901 -16.694 -7.891 8.980 1.00 1.11 C ATOM 85 OE1 GLU C1901 -17.755 -7.240 8.913 1.00 1.44 O ATOM 86 OE2 GLU C1901 -16.660 -9.089 9.331 1.00 1.48 O ATOM 0 H GLU C1901 -14.012 -7.417 4.818 1.00 0.27 H new ATOM 0 HA GLU C1901 -14.038 -5.471 7.002 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.933 -7.032 6.548 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -14.874 -8.382 6.904 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -14.585 -7.633 9.200 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -15.461 -6.150 8.875 1.00 1.00 H new ATOM 93 N ASP C1902 -11.936 -7.969 6.759 1.00 0.37 N ATOM 94 CA ASP C1902 -10.631 -8.438 7.219 1.00 0.46 C ATOM 95 C ASP C1902 -9.528 -7.603 6.583 1.00 0.44 C ATOM 96 O ASP C1902 -8.532 -7.279 7.227 1.00 0.58 O ATOM 97 CB ASP C1902 -10.437 -9.915 6.864 1.00 0.60 C ATOM 98 CG ASP C1902 -9.059 -10.431 7.236 1.00 1.18 C ATOM 99 OD1 ASP C1902 -8.855 -10.811 8.407 1.00 1.42 O ATOM 100 OD2 ASP C1902 -8.168 -10.444 6.365 1.00 2.01 O ATOM 0 H ASP C1902 -12.290 -8.454 5.934 1.00 0.37 H new ATOM 0 HA ASP C1902 -10.584 -8.331 8.303 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -11.194 -10.510 7.376 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -10.595 -10.051 5.794 1.00 0.60 H new ATOM 105 N ALA C1903 -9.749 -7.248 5.316 1.00 0.36 N ATOM 106 CA ALA C1903 -8.806 -6.462 4.517 1.00 0.46 C ATOM 107 C ALA C1903 -8.215 -5.311 5.286 1.00 0.37 C ATOM 108 O ALA C1903 -7.043 -5.302 5.655 1.00 0.37 O ATOM 109 CB ALA C1903 -9.517 -5.866 3.311 1.00 0.66 C ATOM 0 H ALA C1903 -10.598 -7.501 4.810 1.00 0.36 H new ATOM 0 HA ALA C1903 -8.011 -7.148 4.225 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.809 -5.283 2.722 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -9.926 -6.668 2.697 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -10.327 -5.219 3.649 1.00 0.66 H new ATOM 115 N THR C1904 -9.064 -4.347 5.529 1.00 0.37 N ATOM 116 CA THR C1904 -8.643 -3.081 6.035 1.00 0.36 C ATOM 117 C THR C1904 -8.768 -3.038 7.547 1.00 0.34 C ATOM 118 O THR C1904 -8.475 -2.029 8.182 1.00 0.36 O ATOM 119 CB THR C1904 -9.462 -1.984 5.353 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.861 -2.248 5.512 1.00 0.42 O ATOM 121 CG2 THR C1904 -9.132 -1.949 3.868 1.00 0.40 C ATOM 0 H THR C1904 -10.070 -4.425 5.379 1.00 0.37 H new ATOM 0 HA THR C1904 -7.589 -2.917 5.809 1.00 0.36 H new ATOM 0 HB THR C1904 -9.217 -1.025 5.810 1.00 0.40 H new ATOM 0 HG1 THR C1904 -11.178 -2.793 4.762 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.717 -1.167 3.384 1.00 0.40 H new ATOM 0 HG22 THR C1904 -8.070 -1.743 3.736 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.373 -2.913 3.419 1.00 0.40 H new ATOM 129 N GLU C1905 -9.194 -4.150 8.121 1.00 0.32 N ATOM 130 CA GLU C1905 -9.141 -4.323 9.558 1.00 0.32 C ATOM 131 C GLU C1905 -7.693 -4.267 9.981 1.00 0.28 C ATOM 132 O GLU C1905 -7.305 -3.525 10.884 1.00 0.32 O ATOM 133 CB GLU C1905 -9.697 -5.678 9.949 1.00 0.36 C ATOM 134 CG GLU C1905 -9.684 -5.923 11.446 1.00 0.62 C ATOM 135 CD GLU C1905 -10.758 -5.141 12.176 1.00 1.25 C ATOM 136 OE1 GLU C1905 -10.536 -3.947 12.479 1.00 1.76 O ATOM 137 OE2 GLU C1905 -11.824 -5.725 12.463 1.00 2.06 O ATOM 0 H GLU C1905 -9.580 -4.945 7.612 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.730 -3.542 10.039 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.720 -5.762 9.583 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -9.117 -6.457 9.455 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.822 -6.987 11.637 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -8.707 -5.651 11.846 1.00 0.62 H new ATOM 144 N THR C1906 -6.899 -5.067 9.289 1.00 0.25 N ATOM 145 CA THR C1906 -5.480 -5.120 9.513 1.00 0.24 C ATOM 146 C THR C1906 -4.816 -3.863 8.963 1.00 0.21 C ATOM 147 O THR C1906 -3.658 -3.576 9.275 1.00 0.19 O ATOM 148 CB THR C1906 -4.880 -6.376 8.858 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.900 -7.378 8.732 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.748 -6.929 9.704 1.00 0.47 C ATOM 0 H THR C1906 -7.229 -5.696 8.557 1.00 0.25 H new ATOM 0 HA THR C1906 -5.296 -5.171 10.586 1.00 0.24 H new ATOM 0 HB THR C1906 -4.491 -6.106 7.876 1.00 0.29 H new ATOM 0 HG1 THR C1906 -5.522 -8.179 8.313 1.00 0.48 H new ATOM 0 HG21 THR C1906 -3.336 -7.817 9.225 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.967 -6.175 9.804 1.00 0.47 H new ATOM 0 HG23 THR C1906 -4.127 -7.192 10.692 1.00 0.47 H new ATOM 158 N ALA C1907 -5.557 -3.113 8.135 1.00 0.23 N ATOM 159 CA ALA C1907 -5.090 -1.803 7.692 1.00 0.21 C ATOM 160 C ALA C1907 -4.805 -0.908 8.887 1.00 0.21 C ATOM 161 O ALA C1907 -3.824 -0.173 8.894 1.00 0.21 O ATOM 162 CB ALA C1907 -6.078 -1.125 6.748 1.00 0.22 C ATOM 0 H ALA C1907 -6.467 -3.390 7.766 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.167 -1.964 7.135 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -5.685 -0.154 6.447 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.223 -1.748 5.865 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.032 -0.988 7.257 1.00 0.22 H new ATOM 168 N ASP C1908 -5.666 -0.983 9.897 1.00 0.24 N ATOM 169 CA ASP C1908 -5.447 -0.262 11.150 1.00 0.26 C ATOM 170 C ASP C1908 -4.069 -0.581 11.728 1.00 0.27 C ATOM 171 O ASP C1908 -3.334 0.320 12.131 1.00 0.34 O ATOM 172 CB ASP C1908 -6.537 -0.614 12.166 1.00 0.33 C ATOM 173 CG ASP C1908 -6.222 -0.108 13.564 1.00 0.44 C ATOM 174 OD1 ASP C1908 -6.388 1.099 13.823 1.00 0.58 O ATOM 175 OD2 ASP C1908 -5.814 -0.926 14.418 1.00 0.68 O ATOM 0 H ASP C1908 -6.523 -1.536 9.874 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.493 0.806 10.938 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.486 -0.191 11.836 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.664 -1.696 12.196 1.00 0.33 H new ATOM 180 N ALA C1909 -3.712 -1.861 11.735 1.00 0.23 N ATOM 181 CA ALA C1909 -2.411 -2.290 12.245 1.00 0.24 C ATOM 182 C ALA C1909 -1.281 -1.719 11.393 1.00 0.22 C ATOM 183 O ALA C1909 -0.413 -1.006 11.902 1.00 0.24 O ATOM 184 CB ALA C1909 -2.330 -3.802 12.289 1.00 0.27 C ATOM 0 H ALA C1909 -4.303 -2.620 11.394 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.300 -1.908 13.260 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.355 -4.103 12.671 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.111 -4.189 12.943 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.466 -4.203 11.285 1.00 0.27 H new ATOM 190 N MET C1910 -1.295 -2.043 10.097 1.00 0.19 N ATOM 191 CA MET C1910 -0.380 -1.437 9.130 1.00 0.19 C ATOM 192 C MET C1910 -0.301 0.079 9.270 1.00 0.19 C ATOM 193 O MET C1910 0.728 0.661 9.007 1.00 0.22 O ATOM 194 CB MET C1910 -0.805 -1.798 7.704 1.00 0.18 C ATOM 195 CG MET C1910 -0.146 -0.955 6.612 1.00 0.20 C ATOM 196 SD MET C1910 -0.468 -1.616 4.974 1.00 0.20 S ATOM 197 CE MET C1910 0.251 -3.243 5.147 1.00 0.14 C ATOM 0 H MET C1910 -1.935 -2.726 9.693 1.00 0.19 H new ATOM 0 HA MET C1910 0.612 -1.838 9.338 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.573 -2.848 7.524 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.887 -1.692 7.623 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.516 0.069 6.670 1.00 0.20 H new ATOM 0 HG3 MET C1910 0.930 -0.915 6.783 1.00 0.20 H new ATOM 0 HE1 MET C1910 0.298 -3.726 4.171 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.257 -3.154 5.557 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.363 -3.843 5.819 1.00 0.14 H new ATOM 207 N ASN C1911 -1.370 0.718 9.690 1.00 0.21 N ATOM 208 CA ASN C1911 -1.380 2.172 9.783 1.00 0.22 C ATOM 209 C ASN C1911 -0.512 2.672 10.926 1.00 0.23 C ATOM 210 O ASN C1911 0.159 3.701 10.813 1.00 0.27 O ATOM 211 CB ASN C1911 -2.798 2.669 9.971 1.00 0.24 C ATOM 212 CG ASN C1911 -2.885 4.166 9.869 1.00 0.25 C ATOM 213 OD1 ASN C1911 -3.090 4.642 8.661 1.00 0.42 O flip ATOM 214 ND2 ASN C1911 -2.752 4.884 10.860 1.00 0.25 N flip ATOM 0 H ASN C1911 -2.239 0.265 9.972 1.00 0.21 H new ATOM 0 HA ASN C1911 -0.969 2.563 8.852 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.444 2.216 9.219 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -3.169 2.349 10.945 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -2.595 4.464 11.776 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -2.799 5.898 10.765 1.00 0.25 H new ATOM 221 N ARG C1912 -0.513 1.948 12.026 1.00 0.23 N ATOM 222 CA ARG C1912 0.254 2.362 13.186 1.00 0.26 C ATOM 223 C ARG C1912 1.730 2.223 12.882 1.00 0.28 C ATOM 224 O ARG C1912 2.539 3.082 13.224 1.00 0.38 O ATOM 225 CB ARG C1912 -0.095 1.516 14.402 1.00 0.30 C ATOM 226 CG ARG C1912 -1.584 1.225 14.543 1.00 0.75 C ATOM 227 CD ARG C1912 -2.432 2.480 14.364 1.00 1.46 C ATOM 228 NE ARG C1912 -2.165 3.489 15.388 1.00 2.17 N ATOM 229 CZ ARG C1912 -2.480 4.780 15.258 1.00 2.91 C ATOM 230 NH1 ARG C1912 -3.048 5.222 14.139 1.00 3.13 N ATOM 231 NH2 ARG C1912 -2.225 5.629 16.246 1.00 3.76 N ATOM 0 H ARG C1912 -1.031 1.077 12.143 1.00 0.23 H new ATOM 0 HA ARG C1912 0.012 3.401 13.410 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.446 0.572 14.343 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.252 2.027 15.300 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.879 0.480 13.804 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.778 0.794 15.525 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -2.240 2.907 13.380 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -3.487 2.208 14.393 1.00 1.46 H new ATOM 0 HE ARG C1912 -1.712 3.189 16.251 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -3.244 4.574 13.376 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -3.287 6.209 14.044 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -1.788 5.295 17.105 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -2.466 6.615 16.146 1.00 3.76 H new ATOM 245 N GLU C1913 2.069 1.131 12.220 1.00 0.23 N ATOM 246 CA GLU C1913 3.433 0.901 11.802 1.00 0.25 C ATOM 247 C GLU C1913 3.786 1.807 10.632 1.00 0.22 C ATOM 248 O GLU C1913 4.850 2.381 10.618 1.00 0.27 O ATOM 249 CB GLU C1913 3.639 -0.563 11.417 1.00 0.29 C ATOM 250 CG GLU C1913 2.739 -1.010 10.285 1.00 0.29 C ATOM 251 CD GLU C1913 2.874 -2.476 9.960 1.00 0.39 C ATOM 252 OE1 GLU C1913 3.425 -3.225 10.790 1.00 0.79 O ATOM 253 OE2 GLU C1913 2.390 -2.892 8.893 1.00 0.57 O ATOM 0 H GLU C1913 1.415 0.392 11.962 1.00 0.23 H new ATOM 0 HA GLU C1913 4.092 1.134 12.638 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.679 -0.714 11.128 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.456 -1.191 12.289 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.703 -0.797 10.548 1.00 0.29 H new ATOM 0 HG3 GLU C1913 2.969 -0.425 9.395 1.00 0.29 H new ATOM 260 N VAL C1914 2.857 1.966 9.684 1.00 0.19 N ATOM 261 CA VAL C1914 3.110 2.681 8.430 1.00 0.20 C ATOM 262 C VAL C1914 3.499 4.120 8.682 1.00 0.18 C ATOM 263 O VAL C1914 4.288 4.702 7.942 1.00 0.20 O ATOM 264 CB VAL C1914 1.865 2.662 7.496 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.854 3.732 7.873 1.00 0.26 C ATOM 266 CG2 VAL C1914 2.255 2.818 6.047 1.00 0.29 C ATOM 0 H VAL C1914 1.908 1.602 9.765 1.00 0.19 H new ATOM 0 HA VAL C1914 3.935 2.160 7.943 1.00 0.20 H new ATOM 0 HB VAL C1914 1.397 1.687 7.630 1.00 0.24 H new ATOM 0 HG11 VAL C1914 0.002 3.682 7.195 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.514 3.568 8.896 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.320 4.715 7.799 1.00 0.26 H new ATOM 0 HG21 VAL C1914 1.360 2.800 5.425 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.773 3.767 5.910 1.00 0.29 H new ATOM 0 HG23 VAL C1914 2.914 2.000 5.758 1.00 0.29 H new ATOM 276 N SER C1915 2.949 4.693 9.727 1.00 0.21 N ATOM 277 CA SER C1915 3.189 6.074 10.020 1.00 0.28 C ATOM 278 C SER C1915 4.591 6.246 10.591 1.00 0.28 C ATOM 279 O SER C1915 5.249 7.258 10.360 1.00 0.36 O ATOM 280 CB SER C1915 2.097 6.584 10.940 1.00 0.36 C ATOM 281 OG SER C1915 1.878 5.705 12.031 1.00 1.31 O ATOM 0 H SER C1915 2.332 4.217 10.386 1.00 0.21 H new ATOM 0 HA SER C1915 3.151 6.676 9.112 1.00 0.28 H new ATOM 0 HB2 SER C1915 2.369 7.570 11.316 1.00 0.36 H new ATOM 0 HB3 SER C1915 1.172 6.702 10.376 1.00 0.36 H new ATOM 0 HG SER C1915 1.235 5.013 11.770 1.00 1.31 H new ATOM 287 N SER C1916 5.065 5.229 11.301 1.00 0.25 N ATOM 288 CA SER C1916 6.468 5.178 11.689 1.00 0.27 C ATOM 289 C SER C1916 7.311 4.698 10.500 1.00 0.27 C ATOM 290 O SER C1916 8.392 5.215 10.235 1.00 0.29 O ATOM 291 CB SER C1916 6.649 4.243 12.892 1.00 0.31 C ATOM 292 OG SER C1916 8.002 4.198 13.316 1.00 1.04 O ATOM 0 H SER C1916 4.505 4.437 11.617 1.00 0.25 H new ATOM 0 HA SER C1916 6.801 6.175 11.978 1.00 0.27 H new ATOM 0 HB2 SER C1916 6.020 4.581 13.715 1.00 0.31 H new ATOM 0 HB3 SER C1916 6.316 3.239 12.628 1.00 0.31 H new ATOM 0 HG SER C1916 8.084 3.595 14.084 1.00 1.04 H new ATOM 298 N LEU C1917 6.765 3.725 9.778 1.00 0.30 N ATOM 299 CA LEU C1917 7.418 3.067 8.652 1.00 0.30 C ATOM 300 C LEU C1917 7.809 4.066 7.584 1.00 0.26 C ATOM 301 O LEU C1917 8.974 4.167 7.206 1.00 0.26 O ATOM 302 CB LEU C1917 6.458 2.026 8.059 1.00 0.42 C ATOM 303 CG LEU C1917 7.075 0.932 7.181 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.301 1.408 5.763 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.369 0.461 7.775 1.00 1.16 C ATOM 0 H LEU C1917 5.830 3.362 9.965 1.00 0.30 H new ATOM 0 HA LEU C1917 8.327 2.584 9.009 1.00 0.30 H new ATOM 0 HB2 LEU C1917 5.931 1.543 8.882 1.00 0.42 H new ATOM 0 HB3 LEU C1917 5.710 2.553 7.467 1.00 0.42 H new ATOM 0 HG LEU C1917 6.368 0.103 7.144 1.00 0.57 H new ATOM 0 HD11 LEU C1917 7.740 0.602 5.174 1.00 1.25 H new ATOM 0 HD12 LEU C1917 6.349 1.703 5.322 1.00 1.25 H new ATOM 0 HD13 LEU C1917 7.978 2.262 5.770 1.00 1.25 H new ATOM 0 HD21 LEU C1917 8.798 -0.316 7.143 1.00 1.16 H new ATOM 0 HD22 LEU C1917 9.064 1.298 7.843 1.00 1.16 H new ATOM 0 HD23 LEU C1917 8.187 0.058 8.771 1.00 1.16 H new ATOM 317 N LYS C1918 6.830 4.810 7.111 1.00 0.28 N ATOM 318 CA LYS C1918 7.050 5.760 6.058 1.00 0.29 C ATOM 319 C LYS C1918 8.033 6.828 6.526 1.00 0.32 C ATOM 320 O LYS C1918 8.892 7.265 5.775 1.00 0.38 O ATOM 321 CB LYS C1918 5.692 6.323 5.624 1.00 0.39 C ATOM 322 CG LYS C1918 5.625 7.820 5.446 1.00 0.29 C ATOM 323 CD LYS C1918 4.731 8.464 6.502 1.00 0.40 C ATOM 324 CE LYS C1918 5.454 8.722 7.798 1.00 0.69 C ATOM 325 NZ LYS C1918 4.789 9.777 8.611 1.00 1.36 N ATOM 0 H LYS C1918 5.868 4.768 7.448 1.00 0.28 H new ATOM 0 HA LYS C1918 7.505 5.292 5.185 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.409 5.852 4.683 1.00 0.39 H new ATOM 0 HB3 LYS C1918 4.946 6.031 6.363 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.628 8.241 5.510 1.00 0.29 H new ATOM 0 HG3 LYS C1918 5.244 8.054 4.452 1.00 0.29 H new ATOM 0 HD2 LYS C1918 4.340 9.405 6.116 1.00 0.40 H new ATOM 0 HD3 LYS C1918 3.875 7.816 6.691 1.00 0.40 H new ATOM 0 HE2 LYS C1918 5.504 7.798 8.375 1.00 0.69 H new ATOM 0 HE3 LYS C1918 6.480 9.021 7.586 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 5.365 9.982 9.452 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 4.688 10.642 8.042 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 3.849 9.446 8.908 1.00 1.36 H new ATOM 339 N ASN C1919 7.906 7.206 7.793 1.00 0.31 N ATOM 340 CA ASN C1919 8.823 8.154 8.429 1.00 0.33 C ATOM 341 C ASN C1919 10.271 7.656 8.440 1.00 0.32 C ATOM 342 O ASN C1919 11.188 8.443 8.233 1.00 0.41 O ATOM 343 CB ASN C1919 8.378 8.444 9.867 1.00 0.37 C ATOM 344 CG ASN C1919 9.210 9.531 10.527 1.00 0.43 C ATOM 345 OD1 ASN C1919 9.654 10.477 9.874 1.00 1.05 O ATOM 346 ND2 ASN C1919 9.432 9.399 11.826 1.00 1.15 N ATOM 0 H ASN C1919 7.168 6.867 8.410 1.00 0.31 H new ATOM 0 HA ASN C1919 8.789 9.067 7.834 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.330 8.744 9.866 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.447 7.530 10.456 1.00 0.37 H new ATOM 0 HD21 ASN C1919 9.988 10.096 12.322 1.00 1.15 H new ATOM 0 HD22 ASN C1919 9.047 8.601 12.331 1.00 1.15 H new ATOM 353 N LYS C1920 10.495 6.358 8.668 1.00 0.28 N ATOM 354 CA LYS C1920 11.860 5.851 8.754 1.00 0.37 C ATOM 355 C LYS C1920 12.440 5.670 7.368 1.00 0.41 C ATOM 356 O LYS C1920 13.640 5.825 7.157 1.00 0.53 O ATOM 357 CB LYS C1920 11.974 4.551 9.577 1.00 0.48 C ATOM 358 CG LYS C1920 10.781 3.599 9.513 1.00 0.33 C ATOM 359 CD LYS C1920 11.016 2.398 10.418 1.00 0.44 C ATOM 360 CE LYS C1920 9.747 1.587 10.630 1.00 1.36 C ATOM 361 NZ LYS C1920 10.024 0.282 11.289 1.00 1.64 N ATOM 0 H LYS C1920 9.765 5.657 8.793 1.00 0.28 H new ATOM 0 HA LYS C1920 12.443 6.599 9.291 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.860 4.011 9.242 1.00 0.48 H new ATOM 0 HB3 LYS C1920 12.140 4.821 10.620 1.00 0.48 H new ATOM 0 HG2 LYS C1920 9.874 4.121 9.818 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.628 3.265 8.487 1.00 0.33 H new ATOM 0 HD2 LYS C1920 11.785 1.760 9.982 1.00 0.44 H new ATOM 0 HD3 LYS C1920 11.394 2.739 11.382 1.00 0.44 H new ATOM 0 HE2 LYS C1920 9.048 2.160 11.239 1.00 1.36 H new ATOM 0 HE3 LYS C1920 9.263 1.413 9.669 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 9.292 -0.406 11.019 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 10.956 -0.068 10.988 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 10.018 0.406 12.322 1.00 1.64 H new ATOM 375 N LEU C1921 11.582 5.383 6.414 1.00 0.38 N ATOM 376 CA LEU C1921 12.011 5.272 5.037 1.00 0.46 C ATOM 377 C LEU C1921 12.297 6.654 4.477 1.00 0.59 C ATOM 378 O LEU C1921 13.151 6.844 3.618 1.00 0.92 O ATOM 379 CB LEU C1921 10.945 4.582 4.198 1.00 0.44 C ATOM 380 CG LEU C1921 10.475 3.227 4.719 1.00 0.38 C ATOM 381 CD1 LEU C1921 9.803 2.463 3.608 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.625 2.424 5.296 1.00 0.48 C ATOM 0 H LEU C1921 10.586 5.223 6.565 1.00 0.38 H new ATOM 0 HA LEU C1921 12.920 4.672 5.001 1.00 0.46 H new ATOM 0 HB2 LEU C1921 10.081 5.243 4.124 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.332 4.449 3.188 1.00 0.44 H new ATOM 0 HG LEU C1921 9.760 3.398 5.524 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.468 1.496 3.982 1.00 0.40 H new ATOM 0 HD12 LEU C1921 8.945 3.028 3.245 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.509 2.311 2.792 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.254 1.465 5.658 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.375 2.255 4.523 1.00 0.48 H new ATOM 0 HD23 LEU C1921 12.074 2.974 6.123 1.00 0.48 H new ATOM 394 N ARG C1922 11.581 7.614 5.006 1.00 0.49 N ATOM 395 CA ARG C1922 11.683 8.991 4.582 1.00 0.66 C ATOM 396 C ARG C1922 12.668 9.741 5.486 1.00 0.65 C ATOM 397 O ARG C1922 12.923 10.928 5.307 1.00 0.78 O ATOM 398 CB ARG C1922 10.272 9.578 4.637 1.00 0.87 C ATOM 399 CG ARG C1922 10.090 10.960 4.059 1.00 1.15 C ATOM 400 CD ARG C1922 10.898 11.194 2.802 1.00 1.07 C ATOM 401 NE ARG C1922 10.687 12.547 2.302 1.00 1.64 N ATOM 402 CZ ARG C1922 11.600 13.254 1.652 1.00 2.45 C ATOM 403 NH1 ARG C1922 12.801 12.742 1.416 1.00 2.92 N ATOM 404 NH2 ARG C1922 11.318 14.489 1.258 1.00 3.23 N ATOM 0 H ARG C1922 10.902 7.461 5.752 1.00 0.49 H new ATOM 0 HA ARG C1922 12.070 9.080 3.567 1.00 0.66 H new ATOM 0 HB2 ARG C1922 9.600 8.899 4.112 1.00 0.87 H new ATOM 0 HB3 ARG C1922 9.953 9.600 5.679 1.00 0.87 H new ATOM 0 HG2 ARG C1922 9.034 11.118 3.839 1.00 1.15 H new ATOM 0 HG3 ARG C1922 10.373 11.700 4.808 1.00 1.15 H new ATOM 0 HD2 ARG C1922 11.957 11.038 3.009 1.00 1.07 H new ATOM 0 HD3 ARG C1922 10.612 10.470 2.039 1.00 1.07 H new ATOM 0 HE ARG C1922 9.777 12.978 2.463 1.00 1.64 H new ATOM 0 HH11 ARG C1922 13.025 11.800 1.735 1.00 2.92 H new ATOM 0 HH12 ARG C1922 13.500 13.291 0.915 1.00 2.92 H new ATOM 0 HH21 ARG C1922 10.401 14.891 1.456 1.00 3.23 H new ATOM 0 HH22 ARG C1922 12.018 15.037 0.757 1.00 3.23 H new ATOM 418 N ARG C1923 13.245 9.006 6.434 1.00 0.58 N ATOM 419 CA ARG C1923 14.138 9.577 7.439 1.00 0.73 C ATOM 420 C ARG C1923 15.397 10.147 6.788 1.00 1.24 C ATOM 421 O ARG C1923 15.813 11.261 7.097 1.00 2.11 O ATOM 422 CB ARG C1923 14.493 8.499 8.469 1.00 0.81 C ATOM 423 CG ARG C1923 14.936 9.027 9.827 1.00 1.13 C ATOM 424 CD ARG C1923 16.365 9.539 9.812 1.00 1.55 C ATOM 425 NE ARG C1923 16.824 9.916 11.147 1.00 2.40 N ATOM 426 CZ ARG C1923 18.106 9.969 11.506 1.00 3.28 C ATOM 427 NH1 ARG C1923 19.052 9.562 10.667 1.00 3.55 N ATOM 428 NH2 ARG C1923 18.446 10.379 12.720 1.00 4.28 N ATOM 0 H ARG C1923 13.107 8.000 6.527 1.00 0.58 H new ATOM 0 HA ARG C1923 13.631 10.400 7.943 1.00 0.73 H new ATOM 0 HB2 ARG C1923 13.625 7.855 8.612 1.00 0.81 H new ATOM 0 HB3 ARG C1923 15.289 7.876 8.061 1.00 0.81 H new ATOM 0 HG2 ARG C1923 14.268 9.831 10.136 1.00 1.13 H new ATOM 0 HG3 ARG C1923 14.845 8.234 10.569 1.00 1.13 H new ATOM 0 HD2 ARG C1923 17.022 8.769 9.406 1.00 1.55 H new ATOM 0 HD3 ARG C1923 16.435 10.400 9.148 1.00 1.55 H new ATOM 0 HE ARG C1923 16.120 10.153 11.846 1.00 2.40 H new ATOM 0 HH11 ARG C1923 18.798 9.208 9.745 1.00 3.55 H new ATOM 0 HH12 ARG C1923 20.033 9.604 10.945 1.00 3.55 H new ATOM 0 HH21 ARG C1923 17.724 10.656 13.385 1.00 4.28 H new ATOM 0 HH22 ARG C1923 19.429 10.417 12.989 1.00 4.28 H new ATOM 442 N GLY C1924 16.003 9.382 5.890 1.00 1.22 N ATOM 443 CA GLY C1924 17.166 9.871 5.175 1.00 1.93 C ATOM 444 C GLY C1924 18.282 8.858 5.172 1.00 1.43 C ATOM 445 O GLY C1924 19.287 9.018 4.478 1.00 1.98 O ATOM 0 H GLY C1924 15.712 8.436 5.644 1.00 1.22 H new ATOM 0 HA2 GLY C1924 16.889 10.111 4.148 1.00 1.93 H new ATOM 0 HA3 GLY C1924 17.514 10.796 5.635 1.00 1.93 H new ATOM 449 N ASP C1925 18.103 7.812 5.959 1.00 0.81 N ATOM 450 CA ASP C1925 19.030 6.695 5.974 1.00 1.16 C ATOM 451 C ASP C1925 18.776 5.803 4.766 1.00 0.95 C ATOM 452 O ASP C1925 19.662 5.087 4.301 1.00 1.23 O ATOM 453 CB ASP C1925 18.867 5.887 7.262 1.00 1.89 C ATOM 454 CG ASP C1925 19.234 6.673 8.503 1.00 2.48 C ATOM 455 OD1 ASP C1925 18.348 7.350 9.064 1.00 2.98 O ATOM 456 OD2 ASP C1925 20.407 6.612 8.929 1.00 2.71 O ATOM 0 H ASP C1925 17.317 7.713 6.601 1.00 0.81 H new ATOM 0 HA ASP C1925 20.049 7.080 5.931 1.00 1.16 H new ATOM 0 HB2 ASP C1925 17.834 5.550 7.345 1.00 1.89 H new ATOM 0 HB3 ASP C1925 19.490 4.995 7.206 1.00 1.89 H new ATOM 461 N LEU C1926 17.557 5.872 4.254 1.00 0.64 N ATOM 462 CA LEU C1926 17.137 5.035 3.142 1.00 0.60 C ATOM 463 C LEU C1926 17.847 5.391 1.842 1.00 0.54 C ATOM 464 O LEU C1926 18.155 6.554 1.586 1.00 0.72 O ATOM 465 CB LEU C1926 15.631 5.155 2.923 1.00 0.93 C ATOM 466 CG LEU C1926 14.746 4.205 3.731 1.00 0.48 C ATOM 467 CD1 LEU C1926 13.687 3.628 2.812 1.00 0.56 C ATOM 468 CD2 LEU C1926 15.565 3.097 4.374 1.00 0.57 C ATOM 0 H LEU C1926 16.835 6.506 4.596 1.00 0.64 H new ATOM 0 HA LEU C1926 17.404 4.012 3.409 1.00 0.60 H new ATOM 0 HB2 LEU C1926 15.333 6.178 3.154 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.426 4.995 1.864 1.00 0.93 H new ATOM 0 HG LEU C1926 14.270 4.760 4.540 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.048 2.948 3.375 1.00 0.56 H new ATOM 0 HD12 LEU C1926 13.083 4.436 2.400 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.168 3.084 1.999 1.00 0.56 H new ATOM 0 HD21 LEU C1926 14.906 2.439 4.941 1.00 0.57 H new ATOM 0 HD22 LEU C1926 16.072 2.522 3.599 1.00 0.57 H new ATOM 0 HD23 LEU C1926 16.305 3.534 5.044 1.00 0.57 H new ATOM 480 N PRO C1927 18.116 4.375 1.007 1.00 0.46 N ATOM 481 CA PRO C1927 18.623 4.570 -0.343 1.00 0.55 C ATOM 482 C PRO C1927 17.495 4.743 -1.350 1.00 0.63 C ATOM 483 O PRO C1927 17.736 4.883 -2.549 1.00 1.12 O ATOM 484 CB PRO C1927 19.361 3.266 -0.615 1.00 0.54 C ATOM 485 CG PRO C1927 18.618 2.233 0.166 1.00 0.44 C ATOM 486 CD PRO C1927 17.970 2.943 1.331 1.00 0.41 C ATOM 0 HA PRO C1927 19.240 5.464 -0.432 1.00 0.55 H new ATOM 0 HB2 PRO C1927 19.365 3.029 -1.679 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.402 3.328 -0.298 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.866 1.746 -0.455 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.295 1.454 0.517 1.00 0.44 H new ATOM 0 HD2 PRO C1927 16.922 2.663 1.435 1.00 0.41 H new ATOM 0 HD3 PRO C1927 18.461 2.695 2.272 1.00 0.41 H new ATOM 494 N PHE C1928 16.266 4.724 -0.851 1.00 0.30 N ATOM 495 CA PHE C1928 15.094 4.779 -1.704 1.00 0.27 C ATOM 496 C PHE C1928 14.060 5.714 -1.112 1.00 0.27 C ATOM 497 O PHE C1928 13.867 5.741 0.103 1.00 0.31 O ATOM 498 CB PHE C1928 14.536 3.360 -1.916 1.00 0.24 C ATOM 499 CG PHE C1928 13.244 3.027 -1.237 1.00 0.23 C ATOM 500 CD1 PHE C1928 12.121 3.746 -1.540 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.161 2.038 -0.279 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.926 3.482 -0.914 1.00 0.33 C ATOM 503 CE2 PHE C1928 11.981 1.769 0.348 1.00 0.29 C ATOM 504 CZ PHE C1928 10.878 2.339 -0.011 1.00 0.27 C ATOM 0 H PHE C1928 16.058 4.671 0.146 1.00 0.30 H new ATOM 0 HA PHE C1928 15.369 5.177 -2.681 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.405 3.204 -2.987 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.289 2.647 -1.580 1.00 0.24 H new ATOM 0 HD1 PHE C1928 12.174 4.531 -2.280 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.043 1.469 -0.022 1.00 0.26 H new ATOM 0 HE1 PHE C1928 10.056 4.098 -1.085 1.00 0.33 H new ATOM 0 HE2 PHE C1928 11.967 1.062 1.165 1.00 0.29 H new ATOM 0 HZ PHE C1928 9.930 1.972 0.354 1.00 0.27 H new ATOM 514 N VAL C1929 13.387 6.449 -1.993 1.00 0.25 N ATOM 515 CA VAL C1929 12.424 7.474 -1.609 1.00 0.25 C ATOM 516 C VAL C1929 11.571 7.881 -2.785 1.00 0.25 C ATOM 517 O VAL C1929 11.962 7.704 -3.937 1.00 0.27 O ATOM 518 CB VAL C1929 13.124 8.740 -1.121 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.572 8.578 0.304 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.294 9.026 -2.033 1.00 0.62 C ATOM 0 H VAL C1929 13.496 6.348 -3.002 1.00 0.25 H new ATOM 0 HA VAL C1929 11.816 7.039 -0.815 1.00 0.25 H new ATOM 0 HB VAL C1929 12.432 9.582 -1.149 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.069 9.490 0.635 1.00 0.62 H new ATOM 0 HG12 VAL C1929 12.706 8.386 0.938 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.266 7.741 0.374 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.805 9.928 -1.697 1.00 0.62 H new ATOM 0 HG22 VAL C1929 14.988 8.186 -2.009 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.934 9.170 -3.052 1.00 0.62 H new ATOM 530 N VAL C1930 10.423 8.459 -2.500 1.00 0.26 N ATOM 531 CA VAL C1930 9.594 8.999 -3.552 1.00 0.26 C ATOM 532 C VAL C1930 10.233 10.254 -4.138 1.00 0.29 C ATOM 533 O VAL C1930 10.624 11.164 -3.408 1.00 0.32 O ATOM 534 CB VAL C1930 8.181 9.358 -3.070 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.332 9.839 -4.234 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.526 8.177 -2.394 1.00 0.32 C ATOM 0 H VAL C1930 10.047 8.566 -1.558 1.00 0.26 H new ATOM 0 HA VAL C1930 9.511 8.217 -4.306 1.00 0.26 H new ATOM 0 HB VAL C1930 8.265 10.164 -2.341 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.333 10.090 -3.877 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.791 10.722 -4.678 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.262 9.051 -4.983 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.526 8.457 -2.062 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.456 7.348 -3.098 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.123 7.873 -1.534 1.00 0.32 H new ATOM 546 N PRO C1931 10.382 10.285 -5.459 1.00 0.34 N ATOM 547 CA PRO C1931 10.808 11.476 -6.198 1.00 0.42 C ATOM 548 C PRO C1931 9.804 12.618 -6.050 1.00 0.45 C ATOM 549 O PRO C1931 8.726 12.431 -5.486 1.00 0.45 O ATOM 550 CB PRO C1931 10.876 10.998 -7.654 1.00 0.56 C ATOM 551 CG PRO C1931 10.062 9.749 -7.698 1.00 0.48 C ATOM 552 CD PRO C1931 10.167 9.134 -6.335 1.00 0.36 C ATOM 0 HA PRO C1931 11.756 11.872 -5.833 1.00 0.42 H new ATOM 0 HB2 PRO C1931 10.478 11.751 -8.334 1.00 0.56 H new ATOM 0 HB3 PRO C1931 11.905 10.807 -7.957 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.024 9.969 -7.947 1.00 0.48 H new ATOM 0 HG3 PRO C1931 10.435 9.068 -8.462 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.261 8.590 -6.069 1.00 0.36 H new ATOM 0 HD3 PRO C1931 10.993 8.425 -6.277 1.00 0.36 H new ATOM 560 N ARG C1932 10.165 13.804 -6.540 1.00 0.54 N ATOM 561 CA ARG C1932 9.291 14.976 -6.438 1.00 0.70 C ATOM 562 C ARG C1932 7.916 14.683 -7.040 1.00 0.89 C ATOM 563 O ARG C1932 6.901 15.238 -6.620 1.00 1.79 O ATOM 564 CB ARG C1932 9.925 16.175 -7.142 1.00 0.83 C ATOM 565 CG ARG C1932 9.246 17.489 -6.803 1.00 1.53 C ATOM 566 CD ARG C1932 9.350 17.778 -5.316 1.00 2.00 C ATOM 567 NE ARG C1932 8.639 18.990 -4.934 1.00 2.79 N ATOM 568 CZ ARG C1932 9.198 19.992 -4.261 1.00 3.62 C ATOM 569 NH1 ARG C1932 10.500 19.976 -4.008 1.00 3.88 N ATOM 570 NH2 ARG C1932 8.463 21.020 -3.867 1.00 4.56 N ATOM 0 H ARG C1932 11.053 13.980 -7.010 1.00 0.54 H new ATOM 0 HA ARG C1932 9.163 15.212 -5.382 1.00 0.70 H new ATOM 0 HB2 ARG C1932 10.978 16.235 -6.868 1.00 0.83 H new ATOM 0 HB3 ARG C1932 9.885 16.019 -8.220 1.00 0.83 H new ATOM 0 HG2 ARG C1932 9.706 18.299 -7.369 1.00 1.53 H new ATOM 0 HG3 ARG C1932 8.198 17.449 -7.099 1.00 1.53 H new ATOM 0 HD2 ARG C1932 8.949 16.933 -4.756 1.00 2.00 H new ATOM 0 HD3 ARG C1932 10.400 17.874 -5.040 1.00 2.00 H new ATOM 0 HE ARG C1932 7.657 19.075 -5.197 1.00 2.79 H new ATOM 0 HH11 ARG C1932 11.072 19.195 -4.330 1.00 3.88 H new ATOM 0 HH12 ARG C1932 10.929 20.744 -3.492 1.00 3.88 H new ATOM 0 HH21 ARG C1932 7.466 21.045 -4.079 1.00 4.56 H new ATOM 0 HH22 ARG C1932 8.894 21.787 -3.351 1.00 4.56 H new ATOM 584 N ARG C1933 7.909 13.812 -8.029 1.00 0.74 N ATOM 585 CA ARG C1933 6.684 13.315 -8.633 1.00 0.76 C ATOM 586 C ARG C1933 6.778 11.803 -8.679 1.00 0.65 C ATOM 587 O ARG C1933 7.315 11.183 -7.768 1.00 0.69 O ATOM 588 CB ARG C1933 6.532 13.857 -10.056 1.00 0.95 C ATOM 589 CG ARG C1933 6.656 15.364 -10.182 1.00 1.66 C ATOM 590 CD ARG C1933 6.676 15.780 -11.643 1.00 1.80 C ATOM 591 NE ARG C1933 5.452 15.384 -12.341 1.00 2.56 N ATOM 592 CZ ARG C1933 5.425 14.839 -13.560 1.00 2.86 C ATOM 593 NH1 ARG C1933 6.550 14.650 -14.237 1.00 2.53 N ATOM 594 NH2 ARG C1933 4.265 14.506 -14.112 1.00 3.92 N ATOM 0 H ARG C1933 8.758 13.425 -8.441 1.00 0.74 H new ATOM 0 HA ARG C1933 5.822 13.638 -8.050 1.00 0.76 H new ATOM 0 HB2 ARG C1933 7.287 13.391 -10.689 1.00 0.95 H new ATOM 0 HB3 ARG C1933 5.559 13.553 -10.443 1.00 0.95 H new ATOM 0 HG2 ARG C1933 5.822 15.847 -9.673 1.00 1.66 H new ATOM 0 HG3 ARG C1933 7.568 15.701 -9.690 1.00 1.66 H new ATOM 0 HD2 ARG C1933 6.799 16.861 -11.711 1.00 1.80 H new ATOM 0 HD3 ARG C1933 7.537 15.330 -12.137 1.00 1.80 H new ATOM 0 HE ARG C1933 4.562 15.534 -11.866 1.00 2.56 H new ATOM 0 HH11 ARG C1933 7.444 14.921 -13.827 1.00 2.53 H new ATOM 0 HH12 ARG C1933 6.521 14.233 -15.167 1.00 2.53 H new ATOM 0 HH21 ARG C1933 3.394 14.666 -13.605 1.00 3.92 H new ATOM 0 HH22 ARG C1933 4.244 14.090 -15.043 1.00 3.92 H new ATOM 608 N MET C1934 6.260 11.208 -9.734 1.00 0.70 N ATOM 609 CA MET C1934 6.574 9.823 -10.035 1.00 0.73 C ATOM 610 C MET C1934 7.764 9.791 -10.979 1.00 0.84 C ATOM 611 O MET C1934 8.246 8.730 -11.368 1.00 1.02 O ATOM 612 CB MET C1934 5.360 9.107 -10.621 1.00 0.81 C ATOM 613 CG MET C1934 4.277 8.882 -9.582 1.00 0.89 C ATOM 614 SD MET C1934 4.855 7.846 -8.227 1.00 1.18 S ATOM 615 CE MET C1934 3.762 8.353 -6.906 1.00 0.55 C ATOM 0 H MET C1934 5.624 11.656 -10.394 1.00 0.70 H new ATOM 0 HA MET C1934 6.836 9.291 -9.120 1.00 0.73 H new ATOM 0 HB2 MET C1934 4.955 9.695 -11.445 1.00 0.81 H new ATOM 0 HB3 MET C1934 5.670 8.148 -11.035 1.00 0.81 H new ATOM 0 HG2 MET C1934 3.945 9.843 -9.189 1.00 0.89 H new ATOM 0 HG3 MET C1934 3.412 8.415 -10.053 1.00 0.89 H new ATOM 0 HE1 MET C1934 4.307 8.351 -5.962 1.00 0.55 H new ATOM 0 HE2 MET C1934 3.389 9.357 -7.107 1.00 0.55 H new ATOM 0 HE3 MET C1934 2.923 7.661 -6.842 1.00 0.55 H new ATOM 625 N ALA C1935 8.222 11.000 -11.317 1.00 0.93 N ATOM 626 CA ALA C1935 9.427 11.224 -12.108 1.00 1.04 C ATOM 627 C ALA C1935 9.339 10.561 -13.476 1.00 1.66 C ATOM 628 O ALA C1935 10.075 9.584 -13.727 1.00 2.07 O ATOM 629 CB ALA C1935 10.657 10.759 -11.341 1.00 1.04 C ATOM 630 OXT ALA C1935 8.532 11.031 -14.302 1.00 2.38 O ATOM 0 H ALA C1935 7.754 11.864 -11.042 1.00 0.93 H new ATOM 0 HA ALA C1935 9.518 12.296 -12.285 1.00 1.04 H new ATOM 0 HB1 ALA C1935 11.549 10.932 -11.944 1.00 1.04 H new ATOM 0 HB2 ALA C1935 10.736 11.316 -10.408 1.00 1.04 H new ATOM 0 HB3 ALA C1935 10.568 9.695 -11.122 1.00 1.04 H new TER 636 ALA C1935 ATOM 637 N MET A 1 0.425 -3.477 -20.984 1.00 1.37 N ATOM 638 CA MET A 1 0.935 -3.635 -19.603 1.00 0.72 C ATOM 639 C MET A 1 1.607 -2.360 -19.117 1.00 0.58 C ATOM 640 O MET A 1 2.122 -1.568 -19.910 1.00 0.77 O ATOM 641 CB MET A 1 1.935 -4.793 -19.517 1.00 1.65 C ATOM 642 CG MET A 1 1.304 -6.170 -19.606 1.00 2.36 C ATOM 643 SD MET A 1 2.519 -7.494 -19.456 1.00 3.50 S ATOM 644 CE MET A 1 1.463 -8.938 -19.492 1.00 4.47 C ATOM 0 H1 MET A 1 -0.614 -3.525 -20.978 1.00 1.37 H new ATOM 0 H2 MET A 1 0.727 -2.557 -21.362 1.00 1.37 H new ATOM 0 H3 MET A 1 0.803 -4.239 -21.583 1.00 1.37 H new ATOM 0 HA MET A 1 0.077 -3.851 -18.966 1.00 0.72 H new ATOM 0 HB2 MET A 1 2.665 -4.688 -20.320 1.00 1.65 H new ATOM 0 HB3 MET A 1 2.482 -4.717 -18.577 1.00 1.65 H new ATOM 0 HG2 MET A 1 0.557 -6.276 -18.820 1.00 2.36 H new ATOM 0 HG3 MET A 1 0.781 -6.266 -20.558 1.00 2.36 H new ATOM 0 HE1 MET A 1 2.073 -9.837 -19.408 1.00 4.47 H new ATOM 0 HE2 MET A 1 0.761 -8.897 -18.659 1.00 4.47 H new ATOM 0 HE3 MET A 1 0.910 -8.961 -20.431 1.00 4.47 H new ATOM 654 N ALA A 2 1.569 -2.157 -17.811 1.00 0.37 N ATOM 655 CA ALA A 2 2.316 -1.094 -17.166 1.00 0.33 C ATOM 656 C ALA A 2 3.349 -1.700 -16.225 1.00 0.30 C ATOM 657 O ALA A 2 3.391 -2.919 -16.064 1.00 0.39 O ATOM 658 CB ALA A 2 1.370 -0.181 -16.404 1.00 0.33 C ATOM 0 H ALA A 2 1.018 -2.726 -17.168 1.00 0.37 H new ATOM 0 HA ALA A 2 2.831 -0.500 -17.922 1.00 0.33 H new ATOM 0 HB1 ALA A 2 1.940 0.614 -15.923 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.650 0.256 -17.096 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.840 -0.757 -15.646 1.00 0.33 H new ATOM 664 N CYS A 3 4.190 -0.862 -15.627 1.00 0.29 N ATOM 665 CA CYS A 3 5.099 -1.312 -14.586 1.00 0.27 C ATOM 666 C CYS A 3 4.291 -1.662 -13.344 1.00 0.22 C ATOM 667 O CYS A 3 3.820 -0.773 -12.636 1.00 0.21 O ATOM 668 CB CYS A 3 6.128 -0.229 -14.274 1.00 0.32 C ATOM 669 SG CYS A 3 7.035 0.358 -15.724 1.00 0.43 S ATOM 0 H CYS A 3 4.259 0.132 -15.847 1.00 0.29 H new ATOM 0 HA CYS A 3 5.639 -2.196 -14.926 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.622 0.616 -13.807 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.839 -0.617 -13.545 1.00 0.32 H new ATOM 0 HG CYS A 3 7.589 1.503 -15.455 1.00 0.43 H new ATOM 675 N PRO A 4 4.122 -2.962 -13.080 1.00 0.20 N ATOM 676 CA PRO A 4 3.173 -3.465 -12.076 1.00 0.18 C ATOM 677 C PRO A 4 3.361 -2.839 -10.702 1.00 0.16 C ATOM 678 O PRO A 4 2.478 -2.138 -10.206 1.00 0.16 O ATOM 679 CB PRO A 4 3.513 -4.951 -12.012 1.00 0.21 C ATOM 680 CG PRO A 4 4.070 -5.264 -13.352 1.00 0.24 C ATOM 681 CD PRO A 4 4.868 -4.058 -13.728 1.00 0.24 C ATOM 0 HA PRO A 4 2.143 -3.236 -12.348 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.236 -5.159 -11.223 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.628 -5.552 -11.800 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.694 -6.157 -13.322 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.277 -5.454 -14.075 1.00 0.24 H new ATOM 0 HD2 PRO A 4 5.893 -4.121 -13.364 1.00 0.24 H new ATOM 0 HD3 PRO A 4 4.921 -3.928 -14.809 1.00 0.24 H new ATOM 689 N LEU A 5 4.521 -3.067 -10.107 1.00 0.16 N ATOM 690 CA LEU A 5 4.781 -2.593 -8.759 1.00 0.17 C ATOM 691 C LEU A 5 4.905 -1.075 -8.743 1.00 0.19 C ATOM 692 O LEU A 5 4.554 -0.433 -7.759 1.00 0.24 O ATOM 693 CB LEU A 5 6.049 -3.251 -8.203 1.00 0.17 C ATOM 694 CG LEU A 5 5.975 -3.703 -6.735 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.851 -2.515 -5.800 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.812 -4.659 -6.527 1.00 0.20 C ATOM 0 H LEU A 5 5.294 -3.576 -10.535 1.00 0.16 H new ATOM 0 HA LEU A 5 3.942 -2.870 -8.121 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.287 -4.118 -8.820 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.876 -2.549 -8.307 1.00 0.17 H new ATOM 0 HG LEU A 5 6.903 -4.224 -6.501 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.801 -2.867 -4.770 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.718 -1.866 -5.920 1.00 0.20 H new ATOM 0 HD13 LEU A 5 4.945 -1.958 -6.038 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.777 -4.967 -5.482 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.879 -4.160 -6.790 1.00 0.20 H new ATOM 0 HD23 LEU A 5 4.945 -5.537 -7.160 1.00 0.20 H new ATOM 708 N GLU A 6 5.373 -0.498 -9.845 1.00 0.19 N ATOM 709 CA GLU A 6 5.552 0.944 -9.912 1.00 0.23 C ATOM 710 C GLU A 6 4.210 1.660 -9.885 1.00 0.21 C ATOM 711 O GLU A 6 4.018 2.616 -9.129 1.00 0.25 O ATOM 712 CB GLU A 6 6.332 1.360 -11.160 1.00 0.32 C ATOM 713 CG GLU A 6 6.506 2.868 -11.286 1.00 0.47 C ATOM 714 CD GLU A 6 7.473 3.262 -12.380 1.00 0.90 C ATOM 715 OE1 GLU A 6 7.458 2.628 -13.453 1.00 1.39 O ATOM 716 OE2 GLU A 6 8.248 4.216 -12.176 1.00 1.78 O ATOM 0 H GLU A 6 5.632 -1.001 -10.693 1.00 0.19 H new ATOM 0 HA GLU A 6 6.130 1.234 -9.034 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.314 0.888 -11.140 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.816 0.985 -12.044 1.00 0.32 H new ATOM 0 HG2 GLU A 6 5.536 3.325 -11.484 1.00 0.47 H new ATOM 0 HG3 GLU A 6 6.859 3.268 -10.335 1.00 0.47 H new ATOM 723 N LYS A 7 3.275 1.190 -10.702 1.00 0.18 N ATOM 724 CA LYS A 7 1.975 1.828 -10.787 1.00 0.20 C ATOM 725 C LYS A 7 1.225 1.692 -9.473 1.00 0.17 C ATOM 726 O LYS A 7 0.402 2.533 -9.150 1.00 0.19 O ATOM 727 CB LYS A 7 1.139 1.263 -11.945 1.00 0.26 C ATOM 728 CG LYS A 7 1.769 1.464 -13.318 1.00 0.41 C ATOM 729 CD LYS A 7 2.311 2.879 -13.506 1.00 0.90 C ATOM 730 CE LYS A 7 1.224 3.936 -13.375 1.00 0.83 C ATOM 731 NZ LYS A 7 0.259 3.900 -14.504 1.00 1.16 N ATOM 0 H LYS A 7 3.394 0.378 -11.308 1.00 0.18 H new ATOM 0 HA LYS A 7 2.142 2.886 -10.987 1.00 0.20 H new ATOM 0 HB2 LYS A 7 0.983 0.197 -11.781 1.00 0.26 H new ATOM 0 HB3 LYS A 7 0.156 1.735 -11.935 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.579 0.747 -13.452 1.00 0.41 H new ATOM 0 HG3 LYS A 7 1.028 1.256 -14.089 1.00 0.41 H new ATOM 0 HD2 LYS A 7 3.090 3.068 -12.767 1.00 0.90 H new ATOM 0 HD3 LYS A 7 2.777 2.960 -14.488 1.00 0.90 H new ATOM 0 HE2 LYS A 7 0.688 3.787 -12.438 1.00 0.83 H new ATOM 0 HE3 LYS A 7 1.685 4.923 -13.326 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 -0.451 4.649 -14.378 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 0.766 4.051 -15.399 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 -0.215 2.974 -14.527 1.00 1.16 H new ATOM 745 N ALA A 8 1.540 0.653 -8.707 1.00 0.18 N ATOM 746 CA ALA A 8 0.915 0.439 -7.405 1.00 0.19 C ATOM 747 C ALA A 8 0.987 1.693 -6.538 1.00 0.17 C ATOM 748 O ALA A 8 -0.026 2.142 -6.009 1.00 0.21 O ATOM 749 CB ALA A 8 1.566 -0.736 -6.691 1.00 0.20 C ATOM 0 H ALA A 8 2.226 -0.056 -8.965 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.137 0.211 -7.575 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.089 -0.883 -5.722 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.450 -1.637 -7.293 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.627 -0.531 -6.546 1.00 0.20 H new ATOM 755 N LEU A 9 2.178 2.262 -6.403 1.00 0.14 N ATOM 756 CA LEU A 9 2.342 3.478 -5.602 1.00 0.14 C ATOM 757 C LEU A 9 1.816 4.697 -6.354 1.00 0.13 C ATOM 758 O LEU A 9 1.181 5.575 -5.767 1.00 0.16 O ATOM 759 CB LEU A 9 3.811 3.711 -5.217 1.00 0.15 C ATOM 760 CG LEU A 9 4.523 2.545 -4.520 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.601 1.875 -3.524 1.00 0.19 C ATOM 762 CD2 LEU A 9 5.047 1.538 -5.525 1.00 0.15 C ATOM 0 H LEU A 9 3.036 1.911 -6.829 1.00 0.14 H new ATOM 0 HA LEU A 9 1.764 3.338 -4.689 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.366 3.960 -6.121 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.860 4.582 -4.563 1.00 0.15 H new ATOM 0 HG LEU A 9 5.378 2.952 -3.980 1.00 0.16 H new ATOM 0 HD11 LEU A 9 4.125 1.051 -3.040 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.291 2.599 -2.771 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.722 1.492 -4.042 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.546 0.724 -4.999 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.216 1.138 -6.106 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.756 2.026 -6.194 1.00 0.15 H new ATOM 774 N ASP A 10 2.082 4.733 -7.654 1.00 0.14 N ATOM 775 CA ASP A 10 1.658 5.839 -8.513 1.00 0.15 C ATOM 776 C ASP A 10 0.147 6.040 -8.459 1.00 0.15 C ATOM 777 O ASP A 10 -0.335 7.158 -8.263 1.00 0.18 O ATOM 778 CB ASP A 10 2.103 5.578 -9.957 1.00 0.19 C ATOM 779 CG ASP A 10 1.452 6.510 -10.965 1.00 0.48 C ATOM 780 OD1 ASP A 10 0.352 6.180 -11.455 1.00 1.18 O ATOM 781 OD2 ASP A 10 2.043 7.560 -11.290 1.00 1.19 O ATOM 0 H ASP A 10 2.596 4.001 -8.144 1.00 0.14 H new ATOM 0 HA ASP A 10 2.129 6.751 -8.147 1.00 0.15 H new ATOM 0 HB2 ASP A 10 3.186 5.685 -10.021 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.868 4.547 -10.221 1.00 0.19 H new ATOM 786 N VAL A 11 -0.595 4.956 -8.607 1.00 0.16 N ATOM 787 CA VAL A 11 -2.044 5.038 -8.692 1.00 0.18 C ATOM 788 C VAL A 11 -2.669 5.340 -7.339 1.00 0.18 C ATOM 789 O VAL A 11 -3.770 5.879 -7.279 1.00 0.23 O ATOM 790 CB VAL A 11 -2.662 3.750 -9.266 1.00 0.20 C ATOM 791 CG1 VAL A 11 -2.019 3.415 -10.599 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.535 2.593 -8.287 1.00 0.18 C ATOM 0 H VAL A 11 -0.219 4.010 -8.671 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.262 5.860 -9.373 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.726 3.920 -9.428 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.462 2.502 -10.998 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.184 4.234 -11.299 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -0.948 3.267 -10.459 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -2.981 1.698 -8.721 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.482 2.408 -8.077 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.052 2.842 -7.360 1.00 0.18 H new ATOM 802 N MET A 12 -1.966 5.016 -6.253 1.00 0.16 N ATOM 803 CA MET A 12 -2.487 5.290 -4.919 1.00 0.20 C ATOM 804 C MET A 12 -2.756 6.771 -4.746 1.00 0.24 C ATOM 805 O MET A 12 -3.770 7.148 -4.179 1.00 0.40 O ATOM 806 CB MET A 12 -1.537 4.829 -3.814 1.00 0.25 C ATOM 807 CG MET A 12 -1.427 3.326 -3.666 1.00 0.17 C ATOM 808 SD MET A 12 -1.125 2.830 -1.960 1.00 0.72 S ATOM 809 CE MET A 12 -0.722 1.107 -2.187 1.00 0.19 C ATOM 0 H MET A 12 -1.049 4.570 -6.272 1.00 0.16 H new ATOM 0 HA MET A 12 -3.415 4.725 -4.829 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.545 5.235 -4.012 1.00 0.25 H new ATOM 0 HB3 MET A 12 -1.871 5.251 -2.866 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.346 2.860 -4.021 1.00 0.17 H new ATOM 0 HG3 MET A 12 -0.618 2.959 -4.298 1.00 0.17 H new ATOM 0 HE1 MET A 12 -0.682 0.612 -1.217 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.485 0.633 -2.805 1.00 0.19 H new ATOM 0 HE3 MET A 12 0.248 1.022 -2.678 1.00 0.19 H new ATOM 819 N VAL A 13 -1.841 7.605 -5.229 1.00 0.17 N ATOM 820 CA VAL A 13 -2.013 9.048 -5.133 1.00 0.19 C ATOM 821 C VAL A 13 -2.717 9.616 -6.367 1.00 0.20 C ATOM 822 O VAL A 13 -3.264 10.716 -6.324 1.00 0.28 O ATOM 823 CB VAL A 13 -0.673 9.784 -4.909 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.033 9.366 -3.595 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.291 9.553 -6.051 1.00 0.19 C ATOM 0 H VAL A 13 -0.979 7.309 -5.687 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.643 9.220 -4.260 1.00 0.19 H new ATOM 0 HB VAL A 13 -0.898 10.850 -4.867 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.908 9.899 -3.463 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.705 9.606 -2.771 1.00 0.21 H new ATOM 0 HG13 VAL A 13 0.157 8.293 -3.608 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.221 10.087 -5.856 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.497 8.487 -6.143 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.149 9.919 -6.979 1.00 0.19 H new ATOM 835 N SER A 14 -2.712 8.864 -7.463 1.00 0.19 N ATOM 836 CA SER A 14 -3.359 9.310 -8.695 1.00 0.22 C ATOM 837 C SER A 14 -4.870 9.090 -8.635 1.00 0.24 C ATOM 838 O SER A 14 -5.650 10.037 -8.754 1.00 0.28 O ATOM 839 CB SER A 14 -2.758 8.586 -9.903 1.00 0.24 C ATOM 840 OG SER A 14 -1.376 8.889 -10.034 1.00 1.12 O ATOM 0 H SER A 14 -2.270 7.947 -7.525 1.00 0.19 H new ATOM 0 HA SER A 14 -3.181 10.380 -8.803 1.00 0.22 H new ATOM 0 HB2 SER A 14 -2.890 7.510 -9.791 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.287 8.880 -10.810 1.00 0.24 H new ATOM 0 HG SER A 14 -0.857 8.319 -9.428 1.00 1.12 H new ATOM 846 N THR A 15 -5.274 7.842 -8.429 1.00 0.25 N ATOM 847 CA THR A 15 -6.679 7.492 -8.285 1.00 0.28 C ATOM 848 C THR A 15 -7.249 8.147 -7.021 1.00 0.30 C ATOM 849 O THR A 15 -8.449 8.405 -6.918 1.00 0.33 O ATOM 850 CB THR A 15 -6.859 5.960 -8.240 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.143 5.360 -9.330 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.325 5.571 -8.334 1.00 0.26 C ATOM 0 H THR A 15 -4.638 7.048 -8.358 1.00 0.25 H new ATOM 0 HA THR A 15 -7.227 7.865 -9.151 1.00 0.28 H new ATOM 0 HB THR A 15 -6.468 5.603 -7.287 1.00 0.28 H new ATOM 0 HG1 THR A 15 -6.692 4.656 -9.734 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.416 4.485 -8.299 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.872 6.008 -7.498 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.740 5.940 -9.272 1.00 0.26 H new ATOM 860 N PHE A 16 -6.352 8.401 -6.071 1.00 0.31 N ATOM 861 CA PHE A 16 -6.667 9.087 -4.816 1.00 0.37 C ATOM 862 C PHE A 16 -7.527 10.328 -5.051 1.00 0.42 C ATOM 863 O PHE A 16 -8.723 10.326 -4.761 1.00 0.54 O ATOM 864 CB PHE A 16 -5.350 9.494 -4.154 1.00 0.45 C ATOM 865 CG PHE A 16 -5.445 9.945 -2.729 1.00 0.36 C ATOM 866 CD1 PHE A 16 -6.117 9.186 -1.789 1.00 1.24 C ATOM 867 CD2 PHE A 16 -4.829 11.116 -2.324 1.00 1.26 C ATOM 868 CE1 PHE A 16 -6.177 9.587 -0.471 1.00 1.39 C ATOM 869 CE2 PHE A 16 -4.887 11.524 -1.008 1.00 1.43 C ATOM 870 CZ PHE A 16 -5.563 10.758 -0.080 1.00 0.99 C ATOM 0 H PHE A 16 -5.371 8.133 -6.151 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.235 8.412 -4.176 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.665 8.647 -4.202 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -4.905 10.298 -4.740 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.601 8.269 -2.090 1.00 1.24 H new ATOM 0 HD2 PHE A 16 -4.297 11.717 -3.047 1.00 1.26 H new ATOM 0 HE1 PHE A 16 -6.704 8.985 0.254 1.00 1.39 H new ATOM 0 HE2 PHE A 16 -4.404 12.441 -0.704 1.00 1.43 H new ATOM 0 HZ PHE A 16 -5.611 11.075 0.951 1.00 0.99 H new ATOM 880 N HIS A 17 -6.920 11.367 -5.627 1.00 0.44 N ATOM 881 CA HIS A 17 -7.601 12.649 -5.828 1.00 0.54 C ATOM 882 C HIS A 17 -8.655 12.545 -6.925 1.00 0.47 C ATOM 883 O HIS A 17 -9.495 13.432 -7.090 1.00 0.52 O ATOM 884 CB HIS A 17 -6.590 13.760 -6.166 1.00 0.72 C ATOM 885 CG HIS A 17 -5.855 13.572 -7.465 1.00 1.09 C ATOM 886 ND1 HIS A 17 -4.679 12.956 -7.740 1.00 2.16 N flip ATOM 887 CD2 HIS A 17 -6.316 14.059 -8.669 1.00 1.23 C flip ATOM 888 CE1 HIS A 17 -4.459 13.080 -9.089 1.00 2.80 C flip ATOM 889 NE2 HIS A 17 -5.461 13.750 -9.624 1.00 2.27 N flip ATOM 0 H HIS A 17 -5.957 11.347 -5.963 1.00 0.44 H new ATOM 0 HA HIS A 17 -8.102 12.907 -4.895 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -7.117 14.714 -6.198 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -5.861 13.826 -5.359 1.00 0.72 H new ATOM 0 HD1 HIS A 17 -4.071 12.487 -7.069 1.00 2.16 H new ATOM 0 HD2 HIS A 17 -7.235 14.609 -8.809 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -3.605 12.692 -9.625 1.00 2.80 H new ATOM 898 N LYS A 18 -8.599 11.449 -7.665 1.00 0.43 N ATOM 899 CA LYS A 18 -9.500 11.204 -8.778 1.00 0.46 C ATOM 900 C LYS A 18 -10.944 11.053 -8.295 1.00 0.44 C ATOM 901 O LYS A 18 -11.883 11.439 -8.992 1.00 0.62 O ATOM 902 CB LYS A 18 -9.033 9.947 -9.515 1.00 0.55 C ATOM 903 CG LYS A 18 -9.900 9.522 -10.684 1.00 0.77 C ATOM 904 CD LYS A 18 -9.342 8.261 -11.318 1.00 0.73 C ATOM 905 CE LYS A 18 -10.238 7.734 -12.423 1.00 1.41 C ATOM 906 NZ LYS A 18 -9.677 6.501 -13.033 1.00 1.69 N ATOM 0 H LYS A 18 -7.923 10.701 -7.509 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.479 12.056 -9.458 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -8.019 10.114 -9.878 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -8.985 9.124 -8.802 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -10.921 9.346 -10.344 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -9.943 10.321 -11.424 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.351 8.467 -11.723 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.221 7.494 -10.553 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -11.229 7.525 -12.021 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -10.360 8.498 -13.190 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -10.425 5.999 -13.553 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -8.911 6.756 -13.689 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -9.302 5.883 -12.285 1.00 1.69 H new ATOM 920 N TYR A 19 -11.124 10.513 -7.094 1.00 0.37 N ATOM 921 CA TYR A 19 -12.465 10.299 -6.556 1.00 0.41 C ATOM 922 C TYR A 19 -12.697 11.066 -5.261 1.00 0.48 C ATOM 923 O TYR A 19 -13.833 11.404 -4.950 1.00 0.73 O ATOM 924 CB TYR A 19 -12.725 8.806 -6.337 1.00 0.43 C ATOM 925 CG TYR A 19 -12.833 8.022 -7.624 1.00 0.38 C ATOM 926 CD1 TYR A 19 -14.024 7.990 -8.336 1.00 1.18 C ATOM 927 CD2 TYR A 19 -11.747 7.323 -8.130 1.00 1.14 C ATOM 928 CE1 TYR A 19 -14.130 7.287 -9.520 1.00 1.21 C ATOM 929 CE2 TYR A 19 -11.842 6.614 -9.310 1.00 1.14 C ATOM 930 CZ TYR A 19 -13.034 6.600 -10.002 1.00 0.48 C ATOM 931 OH TYR A 19 -13.128 5.909 -11.187 1.00 0.59 O ATOM 0 H TYR A 19 -10.366 10.217 -6.478 1.00 0.37 H new ATOM 0 HA TYR A 19 -13.169 10.683 -7.294 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -11.919 8.389 -5.732 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -13.646 8.685 -5.768 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -14.883 8.524 -7.957 1.00 1.18 H new ATOM 0 HD2 TYR A 19 -10.811 7.334 -7.591 1.00 1.14 H new ATOM 0 HE1 TYR A 19 -15.063 7.275 -10.064 1.00 1.21 H new ATOM 0 HE2 TYR A 19 -10.987 6.073 -9.689 1.00 1.14 H new ATOM 0 HH TYR A 19 -12.269 5.482 -11.385 1.00 0.59 H new ATOM 941 N SER A 20 -11.635 11.346 -4.518 1.00 0.38 N ATOM 942 CA SER A 20 -11.760 12.058 -3.246 1.00 0.45 C ATOM 943 C SER A 20 -12.178 13.508 -3.471 1.00 0.54 C ATOM 944 O SER A 20 -13.062 14.027 -2.790 1.00 0.68 O ATOM 945 CB SER A 20 -10.431 12.013 -2.502 1.00 0.47 C ATOM 946 OG SER A 20 -9.390 12.481 -3.337 1.00 0.52 O ATOM 0 H SER A 20 -10.679 11.094 -4.770 1.00 0.38 H new ATOM 0 HA SER A 20 -12.531 11.569 -2.650 1.00 0.45 H new ATOM 0 HB2 SER A 20 -10.488 12.625 -1.602 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.219 10.993 -2.181 1.00 0.47 H new ATOM 0 HG SER A 20 -9.051 11.741 -3.883 1.00 0.52 H new ATOM 952 N GLY A 21 -11.546 14.148 -4.448 1.00 0.54 N ATOM 953 CA GLY A 21 -11.827 15.540 -4.736 1.00 0.65 C ATOM 954 C GLY A 21 -13.103 15.730 -5.530 1.00 0.68 C ATOM 955 O GLY A 21 -13.194 16.631 -6.366 1.00 0.82 O ATOM 0 H GLY A 21 -10.840 13.723 -5.049 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -11.902 16.092 -3.799 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -10.992 15.967 -5.291 1.00 0.65 H new ATOM 959 N LYS A 22 -14.086 14.879 -5.278 1.00 0.70 N ATOM 960 CA LYS A 22 -15.378 14.990 -5.929 1.00 0.76 C ATOM 961 C LYS A 22 -16.409 15.563 -4.959 1.00 0.85 C ATOM 962 O LYS A 22 -17.001 16.613 -5.222 1.00 0.93 O ATOM 963 CB LYS A 22 -15.834 13.633 -6.474 1.00 0.78 C ATOM 964 CG LYS A 22 -15.064 13.176 -7.703 1.00 1.19 C ATOM 965 CD LYS A 22 -15.700 11.947 -8.333 1.00 1.26 C ATOM 966 CE LYS A 22 -17.101 12.253 -8.838 1.00 1.71 C ATOM 967 NZ LYS A 22 -17.751 11.069 -9.457 1.00 2.08 N ATOM 0 H LYS A 22 -14.010 14.101 -4.623 1.00 0.70 H new ATOM 0 HA LYS A 22 -15.282 15.672 -6.774 1.00 0.76 H new ATOM 0 HB2 LYS A 22 -15.728 12.883 -5.690 1.00 0.78 H new ATOM 0 HB3 LYS A 22 -16.894 13.689 -6.721 1.00 0.78 H new ATOM 0 HG2 LYS A 22 -15.030 13.984 -8.434 1.00 1.19 H new ATOM 0 HG3 LYS A 22 -14.034 12.952 -7.426 1.00 1.19 H new ATOM 0 HD2 LYS A 22 -15.081 11.596 -9.159 1.00 1.26 H new ATOM 0 HD3 LYS A 22 -15.742 11.140 -7.601 1.00 1.26 H new ATOM 0 HE2 LYS A 22 -17.713 12.609 -8.009 1.00 1.71 H new ATOM 0 HE3 LYS A 22 -17.053 13.061 -9.568 1.00 1.71 H new ATOM 0 HZ1 LYS A 22 -18.386 11.381 -10.220 1.00 2.08 H new ATOM 0 HZ2 LYS A 22 -17.023 10.438 -9.849 1.00 2.08 H new ATOM 0 HZ3 LYS A 22 -18.300 10.558 -8.737 1.00 2.08 H new ATOM 981 N GLU A 23 -16.615 14.882 -3.839 1.00 0.96 N ATOM 982 CA GLU A 23 -17.537 15.360 -2.816 1.00 1.13 C ATOM 983 C GLU A 23 -16.797 15.782 -1.549 1.00 1.24 C ATOM 984 O GLU A 23 -17.410 16.267 -0.595 1.00 1.56 O ATOM 985 CB GLU A 23 -18.574 14.291 -2.470 1.00 1.44 C ATOM 986 CG GLU A 23 -19.564 14.012 -3.587 1.00 1.91 C ATOM 987 CD GLU A 23 -20.625 13.015 -3.180 1.00 2.47 C ATOM 988 OE1 GLU A 23 -21.381 13.299 -2.225 1.00 2.94 O ATOM 989 OE2 GLU A 23 -20.734 11.954 -3.825 1.00 3.12 O ATOM 0 H GLU A 23 -16.157 13.998 -3.616 1.00 0.96 H new ATOM 0 HA GLU A 23 -18.047 16.231 -3.227 1.00 1.13 H new ATOM 0 HB2 GLU A 23 -18.057 13.366 -2.216 1.00 1.44 H new ATOM 0 HB3 GLU A 23 -19.122 14.604 -1.581 1.00 1.44 H new ATOM 0 HG2 GLU A 23 -20.042 14.945 -3.887 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -19.028 13.634 -4.458 1.00 1.91 H new ATOM 996 N GLY A 24 -15.481 15.604 -1.536 1.00 1.31 N ATOM 997 CA GLY A 24 -14.703 15.971 -0.370 1.00 1.56 C ATOM 998 C GLY A 24 -13.345 16.529 -0.735 1.00 1.32 C ATOM 999 O GLY A 24 -13.144 17.022 -1.849 1.00 1.41 O ATOM 0 H GLY A 24 -14.942 15.214 -2.309 1.00 1.31 H new ATOM 0 HA2 GLY A 24 -15.252 16.711 0.212 1.00 1.56 H new ATOM 0 HA3 GLY A 24 -14.574 15.096 0.267 1.00 1.56 H new ATOM 1003 N ASP A 25 -12.414 16.471 0.209 1.00 1.15 N ATOM 1004 CA ASP A 25 -11.044 16.905 -0.036 1.00 1.05 C ATOM 1005 C ASP A 25 -10.337 15.892 -0.918 1.00 0.89 C ATOM 1006 O ASP A 25 -10.670 14.713 -0.893 1.00 0.91 O ATOM 1007 CB ASP A 25 -10.271 17.059 1.278 1.00 1.15 C ATOM 1008 CG ASP A 25 -10.821 18.154 2.167 1.00 1.30 C ATOM 1009 OD1 ASP A 25 -11.740 17.877 2.962 1.00 1.80 O ATOM 1010 OD2 ASP A 25 -10.327 19.297 2.084 1.00 1.94 O ATOM 0 H ASP A 25 -12.583 16.127 1.154 1.00 1.15 H new ATOM 0 HA ASP A 25 -11.078 17.874 -0.534 1.00 1.05 H new ATOM 0 HB2 ASP A 25 -10.295 16.113 1.820 1.00 1.15 H new ATOM 0 HB3 ASP A 25 -9.226 17.272 1.055 1.00 1.15 H new ATOM 1015 N LYS A 26 -9.341 16.335 -1.666 1.00 0.93 N ATOM 1016 CA LYS A 26 -8.653 15.454 -2.604 1.00 0.87 C ATOM 1017 C LYS A 26 -7.750 14.463 -1.873 1.00 0.82 C ATOM 1018 O LYS A 26 -7.140 13.586 -2.485 1.00 0.88 O ATOM 1019 CB LYS A 26 -7.836 16.268 -3.597 1.00 1.07 C ATOM 1020 CG LYS A 26 -6.691 17.032 -2.958 1.00 1.37 C ATOM 1021 CD LYS A 26 -6.056 18.000 -3.938 1.00 1.56 C ATOM 1022 CE LYS A 26 -5.395 17.277 -5.102 1.00 1.77 C ATOM 1023 NZ LYS A 26 -4.841 18.228 -6.099 1.00 2.57 N ATOM 0 H LYS A 26 -8.990 17.292 -1.645 1.00 0.93 H new ATOM 0 HA LYS A 26 -9.411 14.889 -3.146 1.00 0.87 H new ATOM 0 HB2 LYS A 26 -7.436 15.600 -4.360 1.00 1.07 H new ATOM 0 HB3 LYS A 26 -8.494 16.973 -4.105 1.00 1.07 H new ATOM 0 HG2 LYS A 26 -7.057 17.579 -2.089 1.00 1.37 H new ATOM 0 HG3 LYS A 26 -5.939 16.330 -2.599 1.00 1.37 H new ATOM 0 HD2 LYS A 26 -6.816 18.682 -4.319 1.00 1.56 H new ATOM 0 HD3 LYS A 26 -5.314 18.607 -3.419 1.00 1.56 H new ATOM 0 HE2 LYS A 26 -4.596 16.638 -4.726 1.00 1.77 H new ATOM 0 HE3 LYS A 26 -6.123 16.626 -5.586 1.00 1.77 H new ATOM 0 HZ1 LYS A 26 -4.399 17.697 -6.877 1.00 2.57 H new ATOM 0 HZ2 LYS A 26 -5.607 18.821 -6.476 1.00 2.57 H new ATOM 0 HZ3 LYS A 26 -4.128 18.832 -5.643 1.00 2.57 H new ATOM 1037 N PHE A 27 -7.662 14.615 -0.566 1.00 0.78 N ATOM 1038 CA PHE A 27 -6.943 13.668 0.266 1.00 0.78 C ATOM 1039 C PHE A 27 -7.901 13.002 1.246 1.00 0.69 C ATOM 1040 O PHE A 27 -7.482 12.304 2.168 1.00 0.68 O ATOM 1041 CB PHE A 27 -5.793 14.356 1.007 1.00 0.98 C ATOM 1042 CG PHE A 27 -6.170 15.667 1.630 1.00 0.66 C ATOM 1043 CD1 PHE A 27 -6.970 15.710 2.761 1.00 1.57 C ATOM 1044 CD2 PHE A 27 -5.723 16.857 1.079 1.00 1.53 C ATOM 1045 CE1 PHE A 27 -7.317 16.918 3.335 1.00 2.34 C ATOM 1046 CE2 PHE A 27 -6.067 18.069 1.649 1.00 2.32 C ATOM 1047 CZ PHE A 27 -6.863 18.100 2.778 1.00 2.54 C ATOM 0 H PHE A 27 -8.082 15.391 -0.054 1.00 0.78 H new ATOM 0 HA PHE A 27 -6.511 12.899 -0.375 1.00 0.78 H new ATOM 0 HB2 PHE A 27 -5.424 13.688 1.785 1.00 0.98 H new ATOM 0 HB3 PHE A 27 -4.971 14.519 0.310 1.00 0.98 H new ATOM 0 HD1 PHE A 27 -7.326 14.789 3.199 1.00 1.57 H new ATOM 0 HD2 PHE A 27 -5.100 16.838 0.197 1.00 1.53 H new ATOM 0 HE1 PHE A 27 -7.941 16.939 4.216 1.00 2.34 H new ATOM 0 HE2 PHE A 27 -5.714 18.991 1.212 1.00 2.32 H new ATOM 0 HZ PHE A 27 -7.130 19.046 3.225 1.00 2.54 H new ATOM 1057 N LYS A 28 -9.189 13.239 1.040 1.00 0.67 N ATOM 1058 CA LYS A 28 -10.219 12.663 1.876 1.00 0.64 C ATOM 1059 C LYS A 28 -11.213 11.871 1.052 1.00 0.48 C ATOM 1060 O LYS A 28 -11.912 12.420 0.205 1.00 0.54 O ATOM 1061 CB LYS A 28 -10.972 13.774 2.597 1.00 0.87 C ATOM 1062 CG LYS A 28 -11.101 13.567 4.084 1.00 1.00 C ATOM 1063 CD LYS A 28 -9.740 13.576 4.732 1.00 1.04 C ATOM 1064 CE LYS A 28 -9.830 13.940 6.198 1.00 1.55 C ATOM 1065 NZ LYS A 28 -10.606 15.193 6.423 1.00 2.03 N ATOM 0 H LYS A 28 -9.543 13.834 0.291 1.00 0.67 H new ATOM 0 HA LYS A 28 -9.736 11.997 2.591 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -10.462 14.720 2.416 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -11.969 13.861 2.166 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -11.722 14.352 4.515 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -11.601 12.619 4.284 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -9.279 12.594 4.627 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -9.095 14.288 4.217 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -10.298 13.122 6.745 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -8.825 14.060 6.603 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -10.419 15.550 7.382 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -10.319 15.909 5.725 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -11.622 14.996 6.319 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.300 10.589 1.319 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.317 9.769 0.687 1.00 0.32 C ATOM 1081 C LEU A 29 -13.362 9.351 1.700 1.00 0.34 C ATOM 1082 O LEU A 29 -13.108 8.502 2.555 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.725 8.529 0.010 1.00 0.30 C ATOM 1084 CG LEU A 29 -10.972 8.787 -1.297 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.504 9.054 -1.027 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.144 7.615 -2.250 1.00 0.33 C ATOM 0 H LEU A 29 -10.686 10.091 1.964 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.782 10.378 -0.088 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.045 8.044 0.711 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.533 7.825 -0.190 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.394 9.675 -1.768 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -8.988 9.235 -1.970 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.405 9.930 -0.386 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.062 8.190 -0.531 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.602 7.815 -3.174 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.751 6.709 -1.788 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.202 7.479 -2.472 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.525 9.975 1.628 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.649 9.562 2.449 1.00 0.35 C ATOM 1100 C ASN A 30 -16.302 8.344 1.805 1.00 0.31 C ATOM 1101 O ASN A 30 -15.807 7.840 0.792 1.00 0.29 O ATOM 1102 CB ASN A 30 -16.672 10.699 2.624 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.520 10.947 1.387 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.558 10.314 1.197 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -17.107 11.889 0.559 1.00 0.63 N ATOM 0 H ASN A 30 -14.715 10.766 1.012 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.286 9.307 3.445 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.327 10.462 3.462 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.143 11.616 2.882 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -17.654 12.113 -0.272 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -16.241 12.392 0.750 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.397 7.882 2.393 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.135 6.720 1.886 1.00 0.31 C ATOM 1114 C LYS A 31 -18.316 6.762 0.365 1.00 0.30 C ATOM 1115 O LYS A 31 -17.993 5.800 -0.334 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.512 6.645 2.541 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.476 6.473 4.048 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.884 6.443 4.617 1.00 0.56 C ATOM 1119 CE LYS A 31 -20.883 6.161 6.109 1.00 1.22 C ATOM 1120 NZ LYS A 31 -22.260 6.139 6.661 1.00 1.70 N ATOM 0 H LYS A 31 -17.802 8.296 3.232 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.544 5.839 2.135 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -20.065 7.554 2.304 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -20.064 5.813 2.105 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.956 5.549 4.302 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -18.913 7.290 4.499 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.373 7.399 4.428 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -21.468 5.679 4.103 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -20.399 5.203 6.299 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -20.296 6.922 6.623 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -22.222 5.944 7.682 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -22.713 7.062 6.502 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -22.812 5.396 6.187 1.00 1.70 H new ATOM 1134 N SER A 32 -18.811 7.886 -0.138 1.00 0.32 N ATOM 1135 CA SER A 32 -19.145 8.015 -1.552 1.00 0.34 C ATOM 1136 C SER A 32 -17.896 7.925 -2.431 1.00 0.31 C ATOM 1137 O SER A 32 -17.908 7.264 -3.475 1.00 0.34 O ATOM 1138 CB SER A 32 -19.873 9.342 -1.797 1.00 0.43 C ATOM 1139 OG SER A 32 -20.340 9.441 -3.132 1.00 1.29 O ATOM 0 H SER A 32 -18.991 8.725 0.414 1.00 0.32 H new ATOM 0 HA SER A 32 -19.802 7.188 -1.823 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.714 9.429 -1.109 1.00 0.43 H new ATOM 0 HB3 SER A 32 -19.200 10.172 -1.584 1.00 0.43 H new ATOM 0 HG SER A 32 -20.554 10.375 -3.335 1.00 1.29 H new ATOM 1145 N GLU A 33 -16.809 8.549 -1.985 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.597 8.628 -2.789 1.00 0.31 C ATOM 1147 C GLU A 33 -14.972 7.251 -2.884 1.00 0.26 C ATOM 1148 O GLU A 33 -14.576 6.800 -3.960 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.582 9.596 -2.171 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.180 10.860 -1.569 1.00 0.51 C ATOM 1151 CD GLU A 33 -16.103 11.610 -2.508 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -17.314 11.308 -2.514 1.00 1.68 O ATOM 1153 OE2 GLU A 33 -15.632 12.510 -3.225 1.00 1.46 O ATOM 0 H GLU A 33 -16.744 9.005 -1.075 1.00 0.30 H new ATOM 0 HA GLU A 33 -15.866 8.996 -3.779 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.027 9.069 -1.394 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -13.863 9.883 -2.938 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -15.732 10.595 -0.667 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -14.371 11.523 -1.264 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.906 6.581 -1.744 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.352 5.244 -1.679 1.00 0.20 C ATOM 1162 C LEU A 34 -15.198 4.261 -2.464 1.00 0.20 C ATOM 1163 O LEU A 34 -14.665 3.379 -3.131 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.225 4.786 -0.230 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.948 5.227 0.469 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -13.025 4.914 1.947 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.750 4.543 -0.164 1.00 0.18 C ATOM 0 H LEU A 34 -15.232 6.946 -0.849 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.359 5.274 -2.128 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -15.079 5.164 0.332 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.281 3.698 -0.201 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.833 6.305 0.355 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -12.105 5.235 2.435 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.872 5.441 2.387 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.154 3.841 2.085 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.839 4.863 0.341 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.856 3.462 -0.070 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.693 4.811 -1.219 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.514 4.415 -2.402 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.387 3.507 -3.121 1.00 0.29 C ATOM 1181 C LYS A 35 -17.128 3.599 -4.614 1.00 0.25 C ATOM 1182 O LYS A 35 -16.932 2.582 -5.265 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.863 3.761 -2.808 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.754 2.615 -3.263 1.00 0.60 C ATOM 1185 CD LYS A 35 -21.101 2.620 -2.565 1.00 0.71 C ATOM 1186 CE LYS A 35 -22.009 3.703 -3.101 1.00 0.53 C ATOM 1187 NZ LYS A 35 -23.314 3.733 -2.393 1.00 0.89 N ATOM 0 H LYS A 35 -16.990 5.145 -1.872 1.00 0.23 H new ATOM 0 HA LYS A 35 -17.159 2.495 -2.785 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -18.985 3.909 -1.735 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -19.182 4.682 -3.295 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.905 2.681 -4.340 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.251 1.668 -3.070 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.580 1.649 -2.692 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -20.955 2.765 -1.495 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -21.519 4.671 -2.999 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -22.177 3.541 -4.166 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -23.652 4.715 -2.329 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -24.007 3.162 -2.918 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -23.199 3.344 -1.436 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.093 4.810 -5.154 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.761 4.992 -6.563 1.00 0.28 C ATOM 1203 C GLU A 36 -15.367 4.455 -6.869 1.00 0.28 C ATOM 1204 O GLU A 36 -15.154 3.820 -7.899 1.00 0.34 O ATOM 1205 CB GLU A 36 -16.859 6.452 -6.983 1.00 0.32 C ATOM 1206 CG GLU A 36 -18.115 6.756 -7.773 1.00 0.66 C ATOM 1207 CD GLU A 36 -18.078 8.110 -8.439 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -17.505 8.215 -9.544 1.00 1.28 O ATOM 1209 OE2 GLU A 36 -18.636 9.074 -7.880 1.00 1.49 O ATOM 0 H GLU A 36 -17.288 5.673 -4.646 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.493 4.425 -7.138 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -16.833 7.083 -6.094 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -15.987 6.711 -7.583 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -18.255 5.987 -8.533 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -18.977 6.708 -7.108 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.432 4.704 -5.962 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.076 4.176 -6.074 1.00 0.27 C ATOM 1218 C LEU A 37 -13.111 2.670 -6.312 1.00 0.23 C ATOM 1219 O LEU A 37 -12.643 2.174 -7.340 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.304 4.469 -4.788 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.797 4.259 -4.869 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -10.119 5.522 -5.374 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.246 3.849 -3.516 1.00 0.74 C ATOM 0 H LEU A 37 -14.589 5.275 -5.131 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.581 4.657 -6.918 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.495 5.502 -4.497 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.700 3.836 -3.994 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.590 3.454 -5.575 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -9.042 5.360 -5.428 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.499 5.767 -6.366 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.329 6.345 -4.691 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.168 3.703 -3.591 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.456 4.630 -2.786 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.717 2.919 -3.198 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.700 1.957 -5.362 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.746 0.507 -5.410 1.00 0.20 C ATOM 1237 C LEU A 38 -14.653 -0.003 -6.527 1.00 0.22 C ATOM 1238 O LEU A 38 -14.321 -0.963 -7.202 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.190 -0.060 -4.058 1.00 0.19 C ATOM 1240 CG LEU A 38 -13.114 -0.051 -2.965 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.479 0.908 -1.846 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.906 -1.452 -2.415 1.00 0.21 C ATOM 0 H LEU A 38 -14.155 2.365 -4.545 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.737 0.158 -5.628 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -15.049 0.512 -3.706 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.528 -1.086 -4.205 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.181 0.292 -3.413 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.698 0.894 -1.085 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.575 1.917 -2.248 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.426 0.603 -1.400 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -12.139 -1.429 -1.640 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.840 -1.818 -1.990 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.589 -2.115 -3.220 1.00 0.21 H new ATOM 1254 N THR A 39 -15.780 0.651 -6.745 1.00 0.23 N ATOM 1255 CA THR A 39 -16.739 0.188 -7.754 1.00 0.26 C ATOM 1256 C THR A 39 -16.131 0.236 -9.148 1.00 0.27 C ATOM 1257 O THR A 39 -16.412 -0.612 -9.992 1.00 0.30 O ATOM 1258 CB THR A 39 -18.047 1.009 -7.757 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.755 2.409 -7.826 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.884 0.721 -6.522 1.00 0.30 C ATOM 0 H THR A 39 -16.059 1.496 -6.247 1.00 0.23 H new ATOM 0 HA THR A 39 -16.980 -0.840 -7.485 1.00 0.26 H new ATOM 0 HB THR A 39 -18.620 0.715 -8.636 1.00 0.29 H new ATOM 0 HG1 THR A 39 -17.347 2.700 -6.984 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.797 1.315 -6.555 1.00 0.30 H new ATOM 0 HG22 THR A 39 -19.140 -0.338 -6.495 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.315 0.979 -5.629 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.288 1.228 -9.378 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.686 1.424 -10.678 1.00 0.30 C ATOM 1270 C ARG A 40 -13.425 0.587 -10.853 1.00 0.29 C ATOM 1271 O ARG A 40 -13.357 -0.259 -11.740 1.00 0.33 O ATOM 1272 CB ARG A 40 -14.364 2.901 -10.893 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.595 3.786 -11.009 1.00 0.36 C ATOM 1274 CD ARG A 40 -16.497 3.345 -12.150 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.780 3.257 -13.424 1.00 0.67 N ATOM 1276 CZ ARG A 40 -16.309 3.598 -14.598 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -17.530 4.116 -14.654 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -15.612 3.435 -15.716 1.00 1.09 N ATOM 0 H ARG A 40 -15.006 1.911 -8.675 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.409 1.096 -11.425 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.751 3.254 -10.064 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.766 3.005 -11.799 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -16.152 3.759 -10.073 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -15.287 4.820 -11.167 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -16.931 2.374 -11.912 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -17.324 4.048 -12.249 1.00 0.47 H new ATOM 0 HE ARG A 40 -14.819 2.915 -13.412 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -18.065 4.254 -13.797 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -17.933 4.376 -15.554 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -14.669 3.048 -15.677 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -16.019 3.697 -16.614 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.427 0.831 -10.015 1.00 0.29 N ATOM 1293 CA GLU A 41 -11.116 0.222 -10.207 1.00 0.32 C ATOM 1294 C GLU A 41 -10.860 -0.977 -9.294 1.00 0.35 C ATOM 1295 O GLU A 41 -9.882 -1.690 -9.488 1.00 0.46 O ATOM 1296 CB GLU A 41 -10.018 1.275 -10.054 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.751 2.029 -11.346 1.00 0.47 C ATOM 1298 CD GLU A 41 -8.845 3.232 -11.180 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -7.698 3.062 -10.724 1.00 1.60 O ATOM 1300 OE2 GLU A 41 -9.277 4.352 -11.534 1.00 1.54 O ATOM 0 H GLU A 41 -12.498 1.442 -9.201 1.00 0.29 H new ATOM 0 HA GLU A 41 -11.100 -0.173 -11.223 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.304 1.983 -9.276 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -9.099 0.792 -9.723 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -9.303 1.346 -12.068 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -10.702 2.358 -11.766 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.723 -1.222 -8.315 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.522 -2.362 -7.412 1.00 0.29 C ATOM 1309 C LEU A 42 -12.758 -3.279 -7.328 1.00 0.28 C ATOM 1310 O LEU A 42 -13.062 -3.785 -6.247 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.184 -1.886 -5.988 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.942 -1.009 -5.832 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.254 0.445 -6.164 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.389 -1.134 -4.420 1.00 0.31 C ATOM 0 H LEU A 42 -12.554 -0.663 -8.123 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.692 -2.929 -7.833 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -12.041 -1.334 -5.602 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -11.061 -2.765 -5.356 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.185 -1.354 -6.536 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.353 1.047 -6.045 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.604 0.516 -7.194 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -11.028 0.814 -5.491 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.504 -0.505 -4.319 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.145 -0.814 -3.703 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.121 -2.172 -4.225 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.470 -3.564 -8.445 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.734 -4.299 -8.378 1.00 0.34 C ATOM 1328 C PRO A 43 -14.509 -5.762 -8.036 1.00 0.35 C ATOM 1329 O PRO A 43 -15.397 -6.441 -7.516 1.00 0.38 O ATOM 1330 CB PRO A 43 -15.334 -4.165 -9.783 1.00 0.43 C ATOM 1331 CG PRO A 43 -14.437 -3.233 -10.531 1.00 0.52 C ATOM 1332 CD PRO A 43 -13.107 -3.263 -9.836 1.00 0.36 C ATOM 0 HA PRO A 43 -15.389 -3.905 -7.601 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -15.388 -5.135 -10.278 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -16.350 -3.774 -9.737 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -14.337 -3.544 -11.571 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -14.847 -2.223 -10.538 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -12.449 -4.024 -10.256 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.586 -2.309 -9.920 1.00 0.36 H new ATOM 1340 N SER A 44 -13.303 -6.233 -8.311 1.00 0.37 N ATOM 1341 CA SER A 44 -12.927 -7.597 -7.999 1.00 0.41 C ATOM 1342 C SER A 44 -12.876 -7.802 -6.485 1.00 0.37 C ATOM 1343 O SER A 44 -12.835 -8.929 -6.006 1.00 0.42 O ATOM 1344 CB SER A 44 -11.578 -7.919 -8.649 1.00 0.48 C ATOM 1345 OG SER A 44 -11.616 -7.633 -10.040 1.00 1.09 O ATOM 0 H SER A 44 -12.565 -5.684 -8.753 1.00 0.37 H new ATOM 0 HA SER A 44 -13.676 -8.280 -8.400 1.00 0.41 H new ATOM 0 HB2 SER A 44 -10.790 -7.336 -8.173 1.00 0.48 H new ATOM 0 HB3 SER A 44 -11.335 -8.970 -8.494 1.00 0.48 H new ATOM 0 HG SER A 44 -10.973 -6.923 -10.246 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.925 -6.704 -5.736 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.909 -6.765 -4.281 1.00 0.34 C ATOM 1353 C PHE A 45 -14.281 -6.418 -3.703 1.00 0.36 C ATOM 1354 O PHE A 45 -14.424 -6.203 -2.499 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.845 -5.815 -3.726 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.479 -6.064 -4.295 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.754 -7.185 -3.926 1.00 1.17 C ATOM 1358 CD2 PHE A 45 -9.925 -5.181 -5.208 1.00 1.31 C ATOM 1359 CE1 PHE A 45 -8.502 -7.419 -4.457 1.00 1.15 C ATOM 1360 CE2 PHE A 45 -8.672 -5.412 -5.743 1.00 1.36 C ATOM 1361 CZ PHE A 45 -7.959 -6.533 -5.366 1.00 0.46 C ATOM 0 H PHE A 45 -12.976 -5.759 -6.116 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.664 -7.785 -3.985 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -12.138 -4.787 -3.938 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.805 -5.918 -2.642 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -10.173 -7.883 -3.216 1.00 1.17 H new ATOM 0 HD2 PHE A 45 -10.479 -4.302 -5.505 1.00 1.31 H new ATOM 0 HE1 PHE A 45 -7.946 -8.296 -4.161 1.00 1.15 H new ATOM 0 HE2 PHE A 45 -8.251 -4.717 -6.455 1.00 1.36 H new ATOM 0 HZ PHE A 45 -6.979 -6.716 -5.781 1.00 0.46 H new ATOM 1371 N LEU A 46 -15.288 -6.351 -4.567 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.643 -6.034 -4.120 1.00 0.40 C ATOM 1373 C LEU A 46 -17.580 -7.209 -4.346 1.00 0.55 C ATOM 1374 O LEU A 46 -18.429 -7.512 -3.509 1.00 0.70 O ATOM 1375 CB LEU A 46 -17.185 -4.812 -4.857 1.00 0.35 C ATOM 1376 CG LEU A 46 -16.258 -3.597 -4.892 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -16.925 -2.458 -5.635 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.876 -3.164 -3.486 1.00 0.30 C ATOM 0 H LEU A 46 -15.196 -6.510 -5.570 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.592 -5.818 -3.053 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -17.415 -5.101 -5.883 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -18.125 -4.516 -4.391 1.00 0.35 H new ATOM 0 HG LEU A 46 -15.344 -3.875 -5.417 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.258 -1.596 -5.655 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -17.146 -2.770 -6.656 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.852 -2.187 -5.129 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.216 -2.298 -3.539 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.775 -2.902 -2.929 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.362 -3.982 -2.981 1.00 0.30 H new ATOM 1390 N GLY A 47 -17.427 -7.860 -5.488 1.00 0.64 N ATOM 1391 CA GLY A 47 -18.235 -9.024 -5.799 1.00 0.82 C ATOM 1392 C GLY A 47 -19.646 -8.669 -6.234 1.00 0.87 C ATOM 1393 O GLY A 47 -20.562 -9.473 -6.084 1.00 1.23 O ATOM 0 H GLY A 47 -16.754 -7.603 -6.210 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -17.750 -9.595 -6.591 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -18.283 -9.671 -4.923 1.00 0.82 H new ATOM 1397 N LYS A 48 -19.817 -7.457 -6.767 1.00 0.79 N ATOM 1398 CA LYS A 48 -21.119 -6.986 -7.260 1.00 0.95 C ATOM 1399 C LYS A 48 -22.169 -6.999 -6.138 1.00 0.73 C ATOM 1400 O LYS A 48 -23.376 -7.066 -6.382 1.00 0.97 O ATOM 1401 CB LYS A 48 -21.573 -7.854 -8.445 1.00 1.43 C ATOM 1402 CG LYS A 48 -22.755 -7.286 -9.219 1.00 2.17 C ATOM 1403 CD LYS A 48 -22.414 -5.952 -9.865 1.00 2.32 C ATOM 1404 CE LYS A 48 -21.353 -6.107 -10.942 1.00 2.88 C ATOM 1405 NZ LYS A 48 -21.019 -4.806 -11.577 1.00 3.51 N ATOM 0 H LYS A 48 -19.064 -6.776 -6.870 1.00 0.79 H new ATOM 0 HA LYS A 48 -21.012 -5.956 -7.600 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -20.734 -7.983 -9.129 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -21.838 -8.844 -8.075 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -23.061 -7.995 -9.988 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -23.603 -7.159 -8.547 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -23.314 -5.517 -10.300 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -22.061 -5.258 -9.103 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -20.453 -6.541 -10.506 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -21.706 -6.803 -11.703 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -20.292 -4.952 -12.306 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -21.873 -4.404 -12.015 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -20.658 -4.150 -10.855 1.00 3.51 H new ATOM 1419 N ARG A 49 -21.701 -6.916 -4.906 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.580 -6.966 -3.753 1.00 0.70 C ATOM 1421 C ARG A 49 -22.196 -5.887 -2.748 1.00 0.61 C ATOM 1422 O ARG A 49 -22.329 -6.062 -1.536 1.00 0.75 O ATOM 1423 CB ARG A 49 -22.506 -8.362 -3.129 1.00 0.97 C ATOM 1424 CG ARG A 49 -21.121 -8.753 -2.641 1.00 1.10 C ATOM 1425 CD ARG A 49 -21.025 -10.245 -2.360 1.00 1.54 C ATOM 1426 NE ARG A 49 -21.162 -11.048 -3.579 1.00 2.02 N ATOM 1427 CZ ARG A 49 -20.450 -12.146 -3.838 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -19.535 -12.574 -2.978 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -20.649 -12.810 -4.967 1.00 3.24 N ATOM 0 H ARG A 49 -20.712 -6.813 -4.678 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.608 -6.774 -4.062 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -23.201 -8.411 -2.291 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -22.840 -9.094 -3.864 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -20.379 -8.475 -3.390 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -20.883 -8.196 -1.735 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -20.067 -10.463 -1.889 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -21.801 -10.530 -1.650 1.00 1.54 H new ATOM 0 HE ARG A 49 -21.846 -10.748 -4.274 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -19.371 -12.063 -2.111 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -18.995 -13.415 -3.184 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -21.345 -12.481 -5.636 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -20.106 -13.650 -5.167 1.00 3.24 H new ATOM 1443 N THR A 50 -21.751 -4.754 -3.268 1.00 0.55 N ATOM 1444 CA THR A 50 -21.280 -3.671 -2.428 1.00 0.50 C ATOM 1445 C THR A 50 -22.258 -2.521 -2.335 1.00 0.50 C ATOM 1446 O THR A 50 -22.380 -1.700 -3.247 1.00 0.56 O ATOM 1447 CB THR A 50 -19.937 -3.133 -2.906 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.775 -3.407 -4.304 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.814 -3.757 -2.097 1.00 0.51 C ATOM 0 H THR A 50 -21.707 -4.563 -4.269 1.00 0.55 H new ATOM 0 HA THR A 50 -21.172 -4.108 -1.435 1.00 0.50 H new ATOM 0 HB THR A 50 -19.904 -2.053 -2.761 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.987 -2.602 -4.822 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.856 -3.368 -2.444 1.00 0.51 H new ATOM 0 HG22 THR A 50 -18.945 -3.512 -1.043 1.00 0.51 H new ATOM 0 HG23 THR A 50 -18.833 -4.840 -2.223 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.967 -2.492 -1.235 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.764 -1.336 -0.863 1.00 0.51 C ATOM 1459 C ASP A 51 -23.166 -0.689 0.379 1.00 0.44 C ATOM 1460 O ASP A 51 -22.024 -0.977 0.747 1.00 0.43 O ATOM 1461 CB ASP A 51 -25.227 -1.715 -0.626 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.991 -1.930 -1.916 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.190 -0.947 -2.663 1.00 1.94 O ATOM 1464 OD2 ASP A 51 -26.399 -3.079 -2.195 1.00 1.72 O ATOM 0 H ASP A 51 -23.012 -3.264 -0.569 1.00 0.49 H new ATOM 0 HA ASP A 51 -23.747 -0.623 -1.687 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -25.270 -2.625 -0.027 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.713 -0.929 -0.047 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.943 0.160 1.035 1.00 0.47 N ATOM 1470 CA GLU A 52 -23.466 0.907 2.194 1.00 0.46 C ATOM 1471 C GLU A 52 -23.114 -0.004 3.366 1.00 0.46 C ATOM 1472 O GLU A 52 -22.296 0.359 4.206 1.00 0.46 O ATOM 1473 CB GLU A 52 -24.517 1.923 2.631 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.767 2.999 1.597 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.532 3.829 1.323 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -23.119 4.597 2.220 1.00 1.27 O ATOM 1477 OE2 GLU A 52 -22.969 3.710 0.215 1.00 1.44 O ATOM 0 H GLU A 52 -24.913 0.351 0.784 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.554 1.422 1.892 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -25.452 1.403 2.839 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -24.197 2.390 3.563 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -25.105 2.537 0.669 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -25.571 3.650 1.940 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.724 -1.181 3.418 1.00 0.52 N ATOM 1485 CA ALA A 53 -23.488 -2.107 4.518 1.00 0.58 C ATOM 1486 C ALA A 53 -22.056 -2.625 4.502 1.00 0.57 C ATOM 1487 O ALA A 53 -21.381 -2.641 5.531 1.00 0.68 O ATOM 1488 CB ALA A 53 -24.470 -3.262 4.457 1.00 0.65 C ATOM 0 H ALA A 53 -24.383 -1.516 2.715 1.00 0.52 H new ATOM 0 HA ALA A 53 -23.640 -1.567 5.452 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -24.281 -3.945 5.285 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -25.488 -2.878 4.528 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -24.348 -3.794 3.513 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.590 -3.033 3.329 1.00 0.49 N ATOM 1495 CA ALA A 54 -20.234 -3.547 3.192 1.00 0.50 C ATOM 1496 C ALA A 54 -19.214 -2.435 3.383 1.00 0.45 C ATOM 1497 O ALA A 54 -18.146 -2.648 3.963 1.00 0.52 O ATOM 1498 CB ALA A 54 -20.045 -4.207 1.838 1.00 0.49 C ATOM 0 H ALA A 54 -22.128 -3.018 2.463 1.00 0.49 H new ATOM 0 HA ALA A 54 -20.077 -4.296 3.968 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -19.026 -4.584 1.756 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.747 -5.034 1.735 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -20.226 -3.477 1.049 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.552 -1.252 2.898 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.672 -0.100 3.010 1.00 0.32 C ATOM 1506 C PHE A 55 -18.666 0.456 4.429 1.00 0.34 C ATOM 1507 O PHE A 55 -17.753 1.182 4.811 1.00 0.34 O ATOM 1508 CB PHE A 55 -19.079 0.977 2.002 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.499 0.734 0.638 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -19.102 -0.144 -0.245 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -17.335 1.373 0.251 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.554 -0.379 -1.492 1.00 1.20 C ATOM 1513 CE2 PHE A 55 -16.785 1.144 -0.992 1.00 1.21 C ATOM 1514 CZ PHE A 55 -17.394 0.266 -1.865 1.00 0.31 C ATOM 0 H PHE A 55 -20.434 -1.063 2.421 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.657 -0.424 2.781 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -20.166 1.011 1.931 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.752 1.952 2.364 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -20.011 -0.651 0.043 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -16.851 2.059 0.930 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -19.034 -1.067 -2.173 1.00 1.20 H new ATOM 0 HE2 PHE A 55 -15.877 1.652 -1.283 1.00 1.21 H new ATOM 0 HZ PHE A 55 -16.963 0.084 -2.838 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.677 0.086 5.206 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.786 0.508 6.597 1.00 0.40 C ATOM 1526 C GLN A 56 -18.574 0.046 7.402 1.00 0.37 C ATOM 1527 O GLN A 56 -17.963 0.829 8.132 1.00 0.42 O ATOM 1528 CB GLN A 56 -21.066 -0.062 7.207 1.00 0.46 C ATOM 1529 CG GLN A 56 -21.278 0.302 8.666 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.480 -0.402 9.266 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -22.766 -1.600 8.784 1.00 1.42 O flip ATOM 1532 NE2 GLN A 56 -23.141 0.126 10.158 1.00 1.00 N flip ATOM 0 H GLN A 56 -20.441 -0.512 4.891 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.821 1.597 6.628 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.919 0.292 6.629 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -21.047 -1.148 7.115 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -20.386 0.043 9.236 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -21.410 1.380 8.754 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -22.886 1.052 10.502 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.944 -0.362 10.555 1.00 1.00 H new ATOM 1541 N LYS A 57 -18.223 -1.227 7.263 1.00 0.34 N ATOM 1542 CA LYS A 57 -17.086 -1.774 7.983 1.00 0.35 C ATOM 1543 C LYS A 57 -15.794 -1.374 7.296 1.00 0.29 C ATOM 1544 O LYS A 57 -14.796 -1.103 7.958 1.00 0.34 O ATOM 1545 CB LYS A 57 -17.175 -3.294 8.076 1.00 0.47 C ATOM 1546 CG LYS A 57 -17.250 -3.841 9.500 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.921 -3.733 10.246 1.00 0.57 C ATOM 1548 CE LYS A 57 -15.775 -2.411 10.987 1.00 0.63 C ATOM 1549 NZ LYS A 57 -14.519 -2.361 11.783 1.00 0.92 N ATOM 0 H LYS A 57 -18.707 -1.894 6.662 1.00 0.34 H new ATOM 0 HA LYS A 57 -17.098 -1.368 8.995 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -18.055 -3.628 7.526 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -16.306 -3.727 7.580 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -18.017 -3.299 10.053 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -17.559 -4.886 9.467 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -15.839 -4.555 10.957 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -15.100 -3.841 9.537 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -15.785 -1.590 10.271 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -16.630 -2.268 11.648 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -14.325 -1.379 12.063 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -14.624 -2.950 12.634 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -13.730 -2.720 11.209 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.829 -1.338 5.968 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.680 -0.913 5.175 1.00 0.20 C ATOM 1565 C LEU A 58 -14.180 0.447 5.649 1.00 0.20 C ATOM 1566 O LEU A 58 -13.081 0.554 6.189 1.00 0.22 O ATOM 1567 CB LEU A 58 -15.060 -0.844 3.695 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.999 -0.222 2.791 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.676 -0.931 2.977 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -14.432 -0.266 1.337 1.00 0.23 C ATOM 0 H LEU A 58 -16.645 -1.600 5.415 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.880 -1.643 5.303 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -15.273 -1.853 3.341 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.982 -0.271 3.597 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.877 0.824 3.072 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.927 -0.479 2.327 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -12.358 -0.841 4.016 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.789 -1.985 2.722 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.659 0.183 0.713 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.586 -1.302 1.034 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -15.362 0.289 1.218 1.00 0.23 H new ATOM 1582 N MET A 59 -15.002 1.463 5.414 1.00 0.21 N ATOM 1583 CA MET A 59 -14.795 2.813 5.919 1.00 0.26 C ATOM 1584 C MET A 59 -14.178 2.817 7.314 1.00 0.27 C ATOM 1585 O MET A 59 -13.153 3.450 7.545 1.00 0.33 O ATOM 1586 CB MET A 59 -16.148 3.521 5.970 1.00 0.36 C ATOM 1587 CG MET A 59 -16.027 5.018 5.989 1.00 0.34 C ATOM 1588 SD MET A 59 -15.244 5.615 4.493 1.00 0.72 S ATOM 1589 CE MET A 59 -14.608 7.155 5.097 1.00 0.32 C ATOM 0 H MET A 59 -15.850 1.368 4.854 1.00 0.21 H new ATOM 0 HA MET A 59 -14.103 3.325 5.251 1.00 0.26 H new ATOM 0 HB2 MET A 59 -16.742 3.221 5.106 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.689 3.195 6.858 1.00 0.36 H new ATOM 0 HG2 MET A 59 -17.016 5.465 6.090 1.00 0.34 H new ATOM 0 HG3 MET A 59 -15.446 5.329 6.857 1.00 0.34 H new ATOM 0 HE1 MET A 59 -13.965 7.605 4.341 1.00 0.32 H new ATOM 0 HE2 MET A 59 -15.436 7.829 5.317 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.032 6.979 6.005 1.00 0.32 H new ATOM 1599 N SER A 60 -14.814 2.093 8.226 1.00 0.28 N ATOM 1600 CA SER A 60 -14.371 2.005 9.613 1.00 0.35 C ATOM 1601 C SER A 60 -12.953 1.462 9.722 1.00 0.32 C ATOM 1602 O SER A 60 -12.100 2.056 10.370 1.00 0.36 O ATOM 1603 CB SER A 60 -15.283 1.059 10.360 1.00 0.41 C ATOM 1604 OG SER A 60 -15.030 1.088 11.755 1.00 0.64 O ATOM 0 H SER A 60 -15.653 1.549 8.025 1.00 0.28 H new ATOM 0 HA SER A 60 -14.398 3.011 10.033 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.322 1.329 10.172 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.144 0.045 9.985 1.00 0.41 H new ATOM 0 HG SER A 60 -15.636 0.467 12.210 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.734 0.305 9.111 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.444 -0.373 9.162 1.00 0.31 C ATOM 1612 C ASN A 61 -10.335 0.552 8.700 1.00 0.31 C ATOM 1613 O ASN A 61 -9.277 0.629 9.324 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.474 -1.618 8.289 1.00 0.34 C ATOM 1615 CG ASN A 61 -12.342 -2.724 8.846 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -12.536 -2.829 10.053 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.865 -3.564 7.967 1.00 0.57 N ATOM 0 H ASN A 61 -13.442 -0.189 8.568 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.249 -0.663 10.194 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.836 -1.348 7.297 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.457 -1.991 8.167 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -13.454 -4.334 8.285 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.679 -3.442 6.972 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.591 1.243 7.598 1.00 0.30 N ATOM 1625 CA LEU A 62 -9.673 2.291 7.122 1.00 0.33 C ATOM 1626 C LEU A 62 -9.498 3.356 8.183 1.00 0.33 C ATOM 1627 O LEU A 62 -8.380 3.712 8.548 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.184 2.979 5.854 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.873 2.277 4.541 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -10.632 0.984 4.459 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.221 3.161 3.362 1.00 0.28 C ATOM 0 H LEU A 62 -11.417 1.105 7.015 1.00 0.30 H new ATOM 0 HA LEU A 62 -8.728 1.795 6.902 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.265 3.090 5.936 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -9.762 3.983 5.815 1.00 0.37 H new ATOM 0 HG LEU A 62 -8.804 2.067 4.507 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -10.404 0.487 3.516 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -10.342 0.339 5.288 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -11.702 1.186 4.513 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -9.990 2.638 2.434 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.284 3.401 3.388 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -9.640 4.082 3.414 1.00 0.28 H new ATOM 1643 N ASP A 63 -10.631 3.860 8.644 1.00 0.37 N ATOM 1644 CA ASP A 63 -10.698 4.935 9.622 1.00 0.43 C ATOM 1645 C ASP A 63 -10.133 4.490 10.973 1.00 0.38 C ATOM 1646 O ASP A 63 -10.869 4.199 11.916 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.159 5.378 9.744 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.398 6.440 10.783 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -11.701 7.471 10.766 1.00 1.35 O ATOM 1650 OD2 ASP A 63 -13.315 6.260 11.611 1.00 1.56 O ATOM 0 H ASP A 63 -11.547 3.528 8.344 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.087 5.775 9.293 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -12.496 5.750 8.776 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -12.772 4.509 9.982 1.00 0.56 H new ATOM 1655 N SER A 64 -8.812 4.436 11.042 1.00 0.37 N ATOM 1656 CA SER A 64 -8.103 3.958 12.216 1.00 0.41 C ATOM 1657 C SER A 64 -8.109 5.028 13.298 1.00 0.52 C ATOM 1658 O SER A 64 -8.090 4.729 14.496 1.00 0.64 O ATOM 1659 CB SER A 64 -6.661 3.595 11.832 1.00 0.45 C ATOM 1660 OG SER A 64 -5.887 4.753 11.562 1.00 0.58 O ATOM 0 H SER A 64 -8.199 4.725 10.280 1.00 0.37 H new ATOM 0 HA SER A 64 -8.602 3.070 12.604 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.200 3.028 12.641 1.00 0.45 H new ATOM 0 HB3 SER A 64 -6.669 2.949 10.954 1.00 0.45 H new ATOM 0 HG SER A 64 -6.434 5.406 11.077 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.149 6.278 12.859 1.00 0.60 N ATOM 1667 CA ASN A 65 -8.185 7.416 13.764 1.00 0.83 C ATOM 1668 C ASN A 65 -9.597 7.602 14.315 1.00 0.89 C ATOM 1669 O ASN A 65 -9.819 8.379 15.246 1.00 1.10 O ATOM 1670 CB ASN A 65 -7.697 8.683 13.045 1.00 0.95 C ATOM 1671 CG ASN A 65 -8.690 9.223 12.031 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -9.453 10.139 12.328 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -8.696 8.659 10.831 1.00 1.44 N ATOM 0 H ASN A 65 -8.157 6.530 11.871 1.00 0.60 H new ATOM 0 HA ASN A 65 -7.515 7.227 14.603 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -7.490 9.455 13.786 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -6.756 8.465 12.540 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -9.349 8.984 10.118 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -8.047 7.900 10.621 1.00 1.44 H new ATOM 1680 N ARG A 66 -10.537 6.861 13.725 1.00 0.79 N ATOM 1681 CA ARG A 66 -11.924 6.801 14.188 1.00 0.98 C ATOM 1682 C ARG A 66 -12.600 8.174 14.119 1.00 1.05 C ATOM 1683 O ARG A 66 -13.050 8.711 15.134 1.00 1.34 O ATOM 1684 CB ARG A 66 -12.002 6.239 15.616 1.00 1.26 C ATOM 1685 CG ARG A 66 -11.322 4.881 15.802 1.00 1.46 C ATOM 1686 CD ARG A 66 -11.869 3.823 14.849 1.00 1.25 C ATOM 1687 NE ARG A 66 -11.411 2.474 15.204 1.00 1.91 N ATOM 1688 CZ ARG A 66 -11.130 1.511 14.320 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -11.141 1.767 13.018 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -10.819 0.292 14.738 1.00 3.45 N ATOM 0 H ARG A 66 -10.355 6.281 12.906 1.00 0.79 H new ATOM 0 HA ARG A 66 -12.461 6.128 13.519 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -11.547 6.955 16.300 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -13.050 6.148 15.900 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -10.249 4.990 15.643 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -11.460 4.546 16.830 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -12.959 3.851 14.863 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -11.557 4.056 13.831 1.00 1.25 H new ATOM 0 HE ARG A 66 -11.299 2.256 16.194 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -11.365 2.705 12.684 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -10.925 1.026 12.351 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -10.794 0.086 15.737 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -10.605 -0.440 14.061 1.00 3.45 H new ATOM 1704 N ASP A 67 -12.654 8.743 12.921 1.00 0.86 N ATOM 1705 CA ASP A 67 -13.320 10.025 12.706 1.00 1.00 C ATOM 1706 C ASP A 67 -14.267 9.953 11.501 1.00 0.88 C ATOM 1707 O ASP A 67 -14.940 10.929 11.170 1.00 0.94 O ATOM 1708 CB ASP A 67 -12.278 11.130 12.511 1.00 1.13 C ATOM 1709 CG ASP A 67 -12.859 12.524 12.631 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -13.638 12.773 13.572 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -12.513 13.389 11.800 1.00 2.08 O ATOM 0 H ASP A 67 -12.244 8.337 12.080 1.00 0.86 H new ATOM 0 HA ASP A 67 -13.918 10.259 13.587 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -11.486 11.008 13.250 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -11.818 11.018 11.529 1.00 1.13 H new ATOM 1716 N ASN A 68 -14.312 8.777 10.860 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.188 8.512 9.699 1.00 0.74 C ATOM 1718 C ASN A 68 -14.725 9.248 8.447 1.00 0.65 C ATOM 1719 O ASN A 68 -15.518 9.515 7.540 1.00 0.66 O ATOM 1720 CB ASN A 68 -16.650 8.861 9.996 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.363 7.811 10.819 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -16.603 7.034 11.554 1.00 1.54 O flip ATOM 1723 ND2 ASN A 68 -18.587 7.685 10.762 1.00 1.75 N flip ATOM 0 H ASN A 68 -13.741 7.976 11.130 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.118 7.441 9.509 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -16.688 9.814 10.524 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.182 8.997 9.054 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -19.138 8.313 10.176 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -19.050 6.953 11.300 1.00 1.75 H new ATOM 1730 N GLU A 69 -13.438 9.535 8.384 1.00 0.64 N ATOM 1731 CA GLU A 69 -12.846 10.160 7.215 1.00 0.63 C ATOM 1732 C GLU A 69 -11.522 9.500 6.895 1.00 0.54 C ATOM 1733 O GLU A 69 -10.626 9.451 7.738 1.00 0.65 O ATOM 1734 CB GLU A 69 -12.614 11.656 7.425 1.00 0.82 C ATOM 1735 CG GLU A 69 -13.878 12.494 7.423 1.00 0.95 C ATOM 1736 CD GLU A 69 -13.566 13.973 7.379 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -13.306 14.496 6.278 1.00 1.59 O ATOM 1738 OE2 GLU A 69 -13.546 14.616 8.447 1.00 1.65 O ATOM 0 H GLU A 69 -12.777 9.343 9.137 1.00 0.64 H new ATOM 0 HA GLU A 69 -13.545 10.033 6.389 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -12.098 11.801 8.374 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -11.950 12.021 6.642 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -14.492 12.225 6.563 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -14.464 12.272 8.315 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.396 8.988 5.687 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.157 8.363 5.279 1.00 0.31 C ATOM 1747 C VAL A 70 -9.149 9.407 4.845 1.00 0.33 C ATOM 1748 O VAL A 70 -9.228 9.955 3.741 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.360 7.336 4.152 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -9.031 6.755 3.693 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.285 6.231 4.616 1.00 0.29 C ATOM 0 H VAL A 70 -12.129 8.992 4.978 1.00 0.40 H new ATOM 0 HA VAL A 70 -9.776 7.828 6.149 1.00 0.31 H new ATOM 0 HB VAL A 70 -10.814 7.847 3.303 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.206 6.032 2.896 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.392 7.557 3.322 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.542 6.259 4.531 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.422 5.509 3.811 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.849 5.731 5.481 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.250 6.656 4.891 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.244 9.712 5.756 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.061 10.486 5.441 1.00 0.40 C ATOM 1763 C ASP A 71 -6.155 9.615 4.576 1.00 0.32 C ATOM 1764 O ASP A 71 -6.369 8.406 4.490 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.353 10.888 6.744 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.119 11.744 6.527 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -4.052 11.185 6.207 1.00 1.32 O ATOM 1768 OD2 ASP A 71 -5.207 12.980 6.694 1.00 1.22 O ATOM 0 H ASP A 71 -8.309 9.430 6.734 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.318 11.398 4.902 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.055 11.432 7.376 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -6.068 9.986 7.286 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.152 10.200 3.944 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.237 9.429 3.119 1.00 0.36 C ATOM 1775 C PHE A 72 -3.542 8.357 3.956 1.00 0.30 C ATOM 1776 O PHE A 72 -3.128 7.316 3.445 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.208 10.338 2.457 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.435 9.647 1.378 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -3.044 8.692 0.578 1.00 1.26 C ATOM 1780 CD2 PHE A 72 -1.111 9.951 1.154 1.00 1.38 C ATOM 1781 CE1 PHE A 72 -2.347 8.055 -0.417 1.00 1.29 C ATOM 1782 CE2 PHE A 72 -0.407 9.322 0.156 1.00 1.46 C ATOM 1783 CZ PHE A 72 -1.022 8.374 -0.628 1.00 0.78 C ATOM 0 H PHE A 72 -4.951 11.199 3.985 1.00 0.36 H new ATOM 0 HA PHE A 72 -4.814 8.939 2.334 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.714 11.207 2.036 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.516 10.708 3.214 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -4.083 8.446 0.741 1.00 1.26 H new ATOM 0 HD2 PHE A 72 -0.621 10.691 1.769 1.00 1.38 H new ATOM 0 HE1 PHE A 72 -2.832 7.310 -1.030 1.00 1.29 H new ATOM 0 HE2 PHE A 72 0.630 9.572 -0.013 1.00 1.46 H new ATOM 0 HZ PHE A 72 -0.466 7.878 -1.410 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.437 8.622 5.251 1.00 0.30 N ATOM 1794 CA GLN A 73 -2.929 7.641 6.201 1.00 0.41 C ATOM 1795 C GLN A 73 -3.779 6.381 6.157 1.00 0.38 C ATOM 1796 O GLN A 73 -3.269 5.273 6.014 1.00 0.44 O ATOM 1797 CB GLN A 73 -2.950 8.206 7.621 1.00 0.61 C ATOM 1798 CG GLN A 73 -1.873 9.239 7.901 1.00 0.85 C ATOM 1799 CD GLN A 73 -0.487 8.634 7.967 1.00 0.83 C ATOM 1800 OE1 GLN A 73 0.499 9.285 7.634 1.00 1.20 O ATOM 1801 NE2 GLN A 73 -0.398 7.389 8.416 1.00 1.48 N ATOM 0 H GLN A 73 -3.699 9.514 5.670 1.00 0.30 H new ATOM 0 HA GLN A 73 -1.902 7.402 5.924 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -3.925 8.657 7.805 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -2.840 7.384 8.328 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -1.895 10.002 7.123 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -2.092 9.740 8.844 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -1.242 6.882 8.683 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.514 6.939 8.495 1.00 1.48 H new ATOM 1810 N GLU A 74 -5.089 6.565 6.245 1.00 0.34 N ATOM 1811 CA GLU A 74 -6.013 5.447 6.311 1.00 0.37 C ATOM 1812 C GLU A 74 -6.139 4.822 4.927 1.00 0.32 C ATOM 1813 O GLU A 74 -6.660 3.721 4.758 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.387 5.922 6.797 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.346 7.096 7.773 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.623 6.803 9.072 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -5.400 7.035 9.143 1.00 1.16 O ATOM 1818 OE2 GLU A 74 -7.281 6.386 10.045 1.00 1.29 O ATOM 0 H GLU A 74 -5.535 7.482 6.272 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.634 4.706 7.015 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -7.985 6.207 5.932 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -7.897 5.086 7.276 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -6.863 7.942 7.285 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.368 7.400 8.000 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.634 5.546 3.940 1.00 0.26 N ATOM 1826 CA TYR A 75 -5.749 5.150 2.554 1.00 0.25 C ATOM 1827 C TYR A 75 -4.561 4.286 2.117 1.00 0.24 C ATOM 1828 O TYR A 75 -4.730 3.345 1.340 1.00 0.28 O ATOM 1829 CB TYR A 75 -5.866 6.400 1.680 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.287 6.113 0.264 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.379 5.616 -0.661 1.00 1.17 C ATOM 1832 CD2 TYR A 75 -7.597 6.332 -0.144 1.00 1.27 C ATOM 1833 CE1 TYR A 75 -5.757 5.344 -1.958 1.00 1.17 C ATOM 1834 CE2 TYR A 75 -7.983 6.061 -1.447 1.00 1.30 C ATOM 1835 CZ TYR A 75 -7.057 5.567 -2.346 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.431 5.302 -3.642 1.00 0.47 O ATOM 0 H TYR A 75 -5.134 6.424 4.082 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.646 4.542 2.436 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.586 7.082 2.132 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -4.905 6.914 1.666 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.357 5.439 -0.359 1.00 1.17 H new ATOM 0 HD2 TYR A 75 -8.320 6.716 0.560 1.00 1.27 H new ATOM 0 HE1 TYR A 75 -5.037 4.958 -2.665 1.00 1.17 H new ATOM 0 HE2 TYR A 75 -9.002 6.235 -1.758 1.00 1.30 H new ATOM 0 HH TYR A 75 -6.883 4.571 -3.998 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.363 4.594 2.610 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.184 3.794 2.270 1.00 0.21 C ATOM 1848 C CYS A 76 -2.376 2.369 2.759 1.00 0.15 C ATOM 1849 O CYS A 76 -2.086 1.397 2.053 1.00 0.17 O ATOM 1850 CB CYS A 76 -0.909 4.384 2.889 1.00 0.27 C ATOM 1851 SG CYS A 76 -0.807 4.277 4.691 1.00 1.65 S ATOM 0 H CYS A 76 -3.182 5.378 3.236 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.070 3.803 1.186 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -0.047 3.873 2.461 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.835 5.432 2.599 1.00 0.27 H new ATOM 0 HG CYS A 76 -1.820 4.897 5.221 1.00 1.65 H new ATOM 1857 N VAL A 77 -2.892 2.267 3.970 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.116 0.992 4.607 1.00 0.17 C ATOM 1859 C VAL A 77 -4.319 0.298 3.999 1.00 0.17 C ATOM 1860 O VAL A 77 -4.385 -0.927 3.979 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.299 1.170 6.121 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.062 1.820 6.696 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.531 2.005 6.440 1.00 0.19 C ATOM 0 H VAL A 77 -3.166 3.070 4.536 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.240 0.365 4.441 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.445 0.188 6.572 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.185 1.949 7.771 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.196 1.187 6.504 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -1.911 2.793 6.228 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.629 2.110 7.520 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.429 2.991 5.987 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.418 1.512 6.041 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.254 1.097 3.491 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.390 0.586 2.755 1.00 0.22 C ATOM 1875 C PHE A 78 -5.909 -0.381 1.691 1.00 0.19 C ATOM 1876 O PHE A 78 -6.170 -1.574 1.766 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.154 1.764 2.136 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.138 1.410 1.061 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.211 0.576 1.314 1.00 1.21 C ATOM 1880 CD2 PHE A 78 -7.986 1.935 -0.208 1.00 1.19 C ATOM 1881 CE1 PHE A 78 -10.114 0.271 0.316 1.00 1.20 C ATOM 1882 CE2 PHE A 78 -8.883 1.636 -1.208 1.00 1.21 C ATOM 1883 CZ PHE A 78 -9.950 0.801 -0.947 1.00 0.22 C ATOM 0 H PHE A 78 -5.239 2.113 3.582 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.064 0.047 3.420 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.686 2.286 2.931 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.430 2.466 1.723 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.344 0.159 2.302 1.00 1.21 H new ATOM 0 HD2 PHE A 78 -7.152 2.589 -0.418 1.00 1.19 H new ATOM 0 HE1 PHE A 78 -10.949 -0.382 0.524 1.00 1.20 H new ATOM 0 HE2 PHE A 78 -8.752 2.054 -2.195 1.00 1.21 H new ATOM 0 HZ PHE A 78 -10.655 0.563 -1.730 1.00 0.22 H new ATOM 1893 N LEU A 79 -5.136 0.134 0.752 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.679 -0.650 -0.379 1.00 0.19 C ATOM 1895 C LEU A 79 -3.692 -1.730 0.006 1.00 0.16 C ATOM 1896 O LEU A 79 -3.864 -2.885 -0.354 1.00 0.18 O ATOM 1897 CB LEU A 79 -4.061 0.259 -1.429 1.00 0.22 C ATOM 1898 CG LEU A 79 -5.087 1.076 -2.188 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.440 1.810 -3.349 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.201 0.160 -2.660 1.00 0.16 C ATOM 0 H LEU A 79 -4.810 1.100 0.752 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.557 -1.152 -0.785 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.354 0.933 -0.946 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.493 -0.346 -2.135 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.511 1.833 -1.528 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.195 2.390 -3.879 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.668 2.480 -2.971 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -3.992 1.088 -4.031 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.943 0.742 -3.207 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.788 -0.608 -3.314 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.673 -0.312 -1.799 1.00 0.16 H new ATOM 1912 N SER A 80 -2.672 -1.372 0.743 1.00 0.15 N ATOM 1913 CA SER A 80 -1.605 -2.311 1.027 1.00 0.15 C ATOM 1914 C SER A 80 -2.135 -3.526 1.784 1.00 0.15 C ATOM 1915 O SER A 80 -1.613 -4.631 1.658 1.00 0.18 O ATOM 1916 CB SER A 80 -0.514 -1.604 1.800 1.00 0.17 C ATOM 1917 OG SER A 80 -0.093 -0.453 1.093 1.00 0.23 O ATOM 0 H SER A 80 -2.553 -0.447 1.156 1.00 0.15 H new ATOM 0 HA SER A 80 -1.187 -2.680 0.090 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.880 -1.322 2.787 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.330 -2.277 1.953 1.00 0.17 H new ATOM 0 HG SER A 80 0.764 -0.635 0.653 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.185 -3.319 2.550 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.833 -4.412 3.240 1.00 0.15 C ATOM 1925 C CYS A 81 -4.793 -5.167 2.322 1.00 0.14 C ATOM 1926 O CYS A 81 -5.149 -6.310 2.603 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.525 -3.895 4.485 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.355 -3.324 5.736 1.00 0.22 S ATOM 0 H CYS A 81 -3.607 -2.404 2.710 1.00 0.14 H new ATOM 0 HA CYS A 81 -3.073 -5.131 3.546 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.191 -3.076 4.214 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.147 -4.685 4.906 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.363 -2.715 5.157 1.00 0.22 H new ATOM 1934 N ILE A 82 -5.187 -4.550 1.206 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.997 -5.255 0.223 1.00 0.14 C ATOM 1936 C ILE A 82 -5.090 -6.165 -0.588 1.00 0.17 C ATOM 1937 O ILE A 82 -5.541 -7.162 -1.115 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.787 -4.337 -0.746 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.552 -3.267 0.017 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.770 -5.162 -1.569 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.435 -2.413 -0.861 1.00 0.18 C ATOM 0 H ILE A 82 -4.962 -3.584 0.967 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.747 -5.811 0.786 1.00 0.14 H new ATOM 0 HB ILE A 82 -6.068 -3.853 -1.407 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -8.166 -3.746 0.780 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.841 -2.625 0.537 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.318 -4.506 -2.245 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.224 -5.906 -2.149 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.471 -5.664 -0.902 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.949 -1.672 -0.249 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.824 -1.906 -1.608 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -9.170 -3.044 -1.361 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.805 -5.813 -0.706 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.825 -6.755 -1.228 1.00 0.23 C ATOM 1955 C ALA A 83 -2.841 -8.041 -0.424 1.00 0.20 C ATOM 1956 O ALA A 83 -3.075 -9.124 -0.960 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.447 -6.154 -1.168 1.00 0.30 C ATOM 0 H ALA A 83 -3.430 -4.899 -0.451 1.00 0.18 H new ATOM 0 HA ALA A 83 -3.084 -6.976 -2.263 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.722 -6.867 -1.561 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -1.421 -5.243 -1.766 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -1.198 -5.916 -0.134 1.00 0.30 H new ATOM 1963 N MET A 84 -2.590 -7.906 0.873 1.00 0.22 N ATOM 1964 CA MET A 84 -2.609 -9.047 1.784 1.00 0.25 C ATOM 1965 C MET A 84 -3.940 -9.775 1.710 1.00 0.24 C ATOM 1966 O MET A 84 -3.990 -11.002 1.726 1.00 0.28 O ATOM 1967 CB MET A 84 -2.353 -8.603 3.220 1.00 0.30 C ATOM 1968 CG MET A 84 -0.927 -8.160 3.483 1.00 0.34 C ATOM 1969 SD MET A 84 -0.684 -7.650 5.188 1.00 0.36 S ATOM 1970 CE MET A 84 -1.737 -6.207 5.249 1.00 0.20 C ATOM 0 H MET A 84 -2.370 -7.016 1.319 1.00 0.22 H new ATOM 0 HA MET A 84 -1.814 -9.726 1.476 1.00 0.25 H new ATOM 0 HB2 MET A 84 -3.028 -7.782 3.462 1.00 0.30 H new ATOM 0 HB3 MET A 84 -2.597 -9.425 3.893 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.245 -8.977 3.248 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.676 -7.334 2.818 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.657 -5.739 6.230 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.426 -5.497 4.482 1.00 0.20 H new ATOM 0 HE3 MET A 84 -2.771 -6.503 5.072 1.00 0.20 H new ATOM 1980 N MET A 85 -5.011 -9.008 1.623 1.00 0.25 N ATOM 1981 CA MET A 85 -6.344 -9.571 1.531 1.00 0.36 C ATOM 1982 C MET A 85 -6.550 -10.254 0.172 1.00 0.33 C ATOM 1983 O MET A 85 -7.132 -11.337 0.096 1.00 0.43 O ATOM 1984 CB MET A 85 -7.385 -8.474 1.772 1.00 0.62 C ATOM 1985 CG MET A 85 -8.811 -8.989 1.782 1.00 0.77 C ATOM 1986 SD MET A 85 -9.624 -8.778 0.191 1.00 0.67 S ATOM 1987 CE MET A 85 -10.346 -7.161 0.425 1.00 0.30 C ATOM 0 H MET A 85 -4.982 -7.988 1.614 1.00 0.25 H new ATOM 0 HA MET A 85 -6.466 -10.334 2.300 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.176 -7.988 2.725 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.287 -7.713 0.997 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.812 -10.045 2.051 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.379 -8.464 2.550 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.769 -6.812 -0.517 1.00 0.30 H new ATOM 0 HE2 MET A 85 -11.133 -7.219 1.177 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.577 -6.464 0.758 1.00 0.30 H new ATOM 1997 N CYS A 86 -6.045 -9.635 -0.894 1.00 0.32 N ATOM 1998 CA CYS A 86 -6.154 -10.193 -2.236 1.00 0.43 C ATOM 1999 C CYS A 86 -5.336 -11.471 -2.372 1.00 0.43 C ATOM 2000 O CYS A 86 -5.581 -12.266 -3.269 1.00 0.58 O ATOM 2001 CB CYS A 86 -5.696 -9.173 -3.284 1.00 0.49 C ATOM 2002 SG CYS A 86 -5.904 -9.714 -4.999 1.00 0.57 S ATOM 0 H CYS A 86 -5.554 -8.742 -0.851 1.00 0.32 H new ATOM 0 HA CYS A 86 -7.203 -10.434 -2.406 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -6.252 -8.247 -3.138 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -4.644 -8.943 -3.114 1.00 0.49 H new ATOM 0 HG CYS A 86 -5.862 -11.012 -5.053 1.00 0.57 H new ATOM 2008 N ASN A 87 -4.370 -11.673 -1.476 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.554 -12.889 -1.491 1.00 0.44 C ATOM 2010 C ASN A 87 -4.444 -14.122 -1.378 1.00 0.47 C ATOM 2011 O ASN A 87 -4.125 -15.190 -1.905 1.00 0.54 O ATOM 2012 CB ASN A 87 -2.541 -12.875 -0.343 1.00 0.54 C ATOM 2013 CG ASN A 87 -1.528 -14.010 -0.418 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -1.104 -14.363 -1.624 1.00 1.43 O flip ATOM 2015 ND2 ASN A 87 -1.110 -14.546 0.608 1.00 1.23 N flip ATOM 0 H ASN A 87 -4.133 -11.015 -0.734 1.00 0.36 H new ATOM 0 HA ASN A 87 -3.011 -12.924 -2.436 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -2.010 -11.923 -0.348 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -3.076 -12.937 0.605 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -1.460 -14.247 1.518 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -0.414 -15.289 0.548 1.00 1.23 H new ATOM 2022 N GLU A 88 -5.575 -13.959 -0.706 1.00 0.56 N ATOM 2023 CA GLU A 88 -6.544 -15.030 -0.571 1.00 0.70 C ATOM 2024 C GLU A 88 -7.154 -15.350 -1.936 1.00 0.73 C ATOM 2025 O GLU A 88 -7.256 -16.509 -2.330 1.00 0.82 O ATOM 2026 CB GLU A 88 -7.642 -14.622 0.412 1.00 0.96 C ATOM 2027 CG GLU A 88 -8.317 -15.803 1.082 1.00 1.81 C ATOM 2028 CD GLU A 88 -7.364 -16.570 1.974 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -6.579 -17.388 1.451 1.00 2.60 O ATOM 2030 OE2 GLU A 88 -7.390 -16.350 3.203 1.00 2.78 O ATOM 0 H GLU A 88 -5.842 -13.089 -0.245 1.00 0.56 H new ATOM 0 HA GLU A 88 -6.043 -15.919 -0.188 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -7.213 -13.976 1.177 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -8.393 -14.035 -0.116 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -9.162 -15.450 1.673 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -8.718 -16.472 0.320 1.00 1.81 H new ATOM 2037 N PHE A 89 -7.527 -14.301 -2.658 1.00 0.78 N ATOM 2038 CA PHE A 89 -8.126 -14.435 -3.985 1.00 0.98 C ATOM 2039 C PHE A 89 -7.068 -14.824 -5.014 1.00 0.94 C ATOM 2040 O PHE A 89 -7.365 -15.479 -6.012 1.00 1.28 O ATOM 2041 CB PHE A 89 -8.795 -13.118 -4.395 1.00 1.19 C ATOM 2042 CG PHE A 89 -9.886 -12.681 -3.459 1.00 1.49 C ATOM 2043 CD1 PHE A 89 -9.586 -11.977 -2.304 1.00 2.09 C ATOM 2044 CD2 PHE A 89 -11.209 -12.977 -3.733 1.00 2.23 C ATOM 2045 CE1 PHE A 89 -10.585 -11.577 -1.440 1.00 2.74 C ATOM 2046 CE2 PHE A 89 -12.214 -12.580 -2.873 1.00 2.94 C ATOM 2047 CZ PHE A 89 -11.901 -11.880 -1.725 1.00 3.02 C ATOM 0 H PHE A 89 -7.425 -13.336 -2.344 1.00 0.78 H new ATOM 0 HA PHE A 89 -8.879 -15.222 -3.947 1.00 0.98 H new ATOM 0 HB2 PHE A 89 -8.037 -12.336 -4.447 1.00 1.19 H new ATOM 0 HB3 PHE A 89 -9.210 -13.227 -5.397 1.00 1.19 H new ATOM 0 HD1 PHE A 89 -8.557 -11.738 -2.077 1.00 2.09 H new ATOM 0 HD2 PHE A 89 -11.459 -13.525 -4.630 1.00 2.23 H new ATOM 0 HE1 PHE A 89 -10.338 -11.028 -0.543 1.00 2.74 H new ATOM 0 HE2 PHE A 89 -13.243 -12.817 -3.098 1.00 2.94 H new ATOM 0 HZ PHE A 89 -12.685 -11.570 -1.050 1.00 3.02 H new ATOM 2057 N PHE A 90 -5.838 -14.400 -4.753 1.00 0.69 N ATOM 2058 CA PHE A 90 -4.694 -14.737 -5.587 1.00 0.84 C ATOM 2059 C PHE A 90 -4.522 -16.248 -5.657 1.00 1.24 C ATOM 2060 O PHE A 90 -4.313 -16.811 -6.730 1.00 1.57 O ATOM 2061 CB PHE A 90 -3.435 -14.074 -5.018 1.00 0.96 C ATOM 2062 CG PHE A 90 -2.178 -14.366 -5.786 1.00 1.08 C ATOM 2063 CD1 PHE A 90 -2.002 -13.871 -7.067 1.00 1.59 C ATOM 2064 CD2 PHE A 90 -1.167 -15.127 -5.219 1.00 1.75 C ATOM 2065 CE1 PHE A 90 -0.842 -14.133 -7.770 1.00 1.81 C ATOM 2066 CE2 PHE A 90 -0.006 -15.389 -5.916 1.00 1.92 C ATOM 2067 CZ PHE A 90 0.157 -14.893 -7.194 1.00 1.59 C ATOM 0 H PHE A 90 -5.606 -13.810 -3.954 1.00 0.69 H new ATOM 0 HA PHE A 90 -4.861 -14.367 -6.599 1.00 0.84 H new ATOM 0 HB2 PHE A 90 -3.588 -12.995 -4.992 1.00 0.96 H new ATOM 0 HB3 PHE A 90 -3.301 -14.402 -3.987 1.00 0.96 H new ATOM 0 HD1 PHE A 90 -2.779 -13.274 -7.521 1.00 1.59 H new ATOM 0 HD2 PHE A 90 -1.290 -15.519 -4.220 1.00 1.75 H new ATOM 0 HE1 PHE A 90 -0.716 -13.744 -8.770 1.00 1.81 H new ATOM 0 HE2 PHE A 90 0.775 -15.982 -5.462 1.00 1.92 H new ATOM 0 HZ PHE A 90 1.064 -15.099 -7.742 1.00 1.59 H new ATOM 2077 N GLU A 91 -4.614 -16.896 -4.505 1.00 1.36 N ATOM 2078 CA GLU A 91 -4.595 -18.350 -4.447 1.00 1.84 C ATOM 2079 C GLU A 91 -5.949 -18.896 -4.881 1.00 1.99 C ATOM 2080 O GLU A 91 -6.038 -19.904 -5.583 1.00 2.44 O ATOM 2081 CB GLU A 91 -4.256 -18.821 -3.032 1.00 2.02 C ATOM 2082 CG GLU A 91 -2.851 -18.448 -2.592 1.00 2.25 C ATOM 2083 CD GLU A 91 -1.785 -19.088 -3.456 1.00 2.76 C ATOM 2084 OE1 GLU A 91 -1.648 -20.329 -3.415 1.00 3.28 O ATOM 2085 OE2 GLU A 91 -1.068 -18.361 -4.171 1.00 3.15 O ATOM 0 H GLU A 91 -4.703 -16.438 -3.598 1.00 1.36 H new ATOM 0 HA GLU A 91 -3.828 -18.725 -5.124 1.00 1.84 H new ATOM 0 HB2 GLU A 91 -4.974 -18.392 -2.333 1.00 2.02 H new ATOM 0 HB3 GLU A 91 -4.369 -19.904 -2.981 1.00 2.02 H new ATOM 0 HG2 GLU A 91 -2.739 -17.364 -2.625 1.00 2.25 H new ATOM 0 HG3 GLU A 91 -2.705 -18.752 -1.555 1.00 2.25 H new ATOM 2092 N GLY A 92 -7.003 -18.212 -4.459 1.00 1.77 N ATOM 2093 CA GLY A 92 -8.340 -18.576 -4.866 1.00 2.10 C ATOM 2094 C GLY A 92 -9.161 -19.125 -3.722 1.00 2.32 C ATOM 2095 O GLY A 92 -10.337 -19.419 -3.905 1.00 2.82 O ATOM 0 H GLY A 92 -6.952 -17.405 -3.837 1.00 1.77 H new ATOM 0 HA2 GLY A 92 -8.841 -17.702 -5.282 1.00 2.10 H new ATOM 0 HA3 GLY A 92 -8.285 -19.320 -5.660 1.00 2.10 H new ATOM 2099 N PHE A 93 -8.526 -19.228 -2.547 1.00 2.16 N ATOM 2100 CA PHE A 93 -9.122 -19.796 -1.327 1.00 2.47 C ATOM 2101 C PHE A 93 -10.052 -20.971 -1.596 1.00 2.93 C ATOM 2102 O PHE A 93 -11.222 -20.798 -1.936 1.00 3.33 O ATOM 2103 CB PHE A 93 -9.804 -18.724 -0.449 1.00 2.75 C ATOM 2104 CG PHE A 93 -10.884 -17.906 -1.112 1.00 3.31 C ATOM 2105 CD1 PHE A 93 -10.561 -16.817 -1.904 1.00 3.92 C ATOM 2106 CD2 PHE A 93 -12.222 -18.216 -0.921 1.00 3.95 C ATOM 2107 CE1 PHE A 93 -11.550 -16.058 -2.497 1.00 4.93 C ATOM 2108 CE2 PHE A 93 -13.215 -17.461 -1.512 1.00 4.95 C ATOM 2109 CZ PHE A 93 -12.878 -16.380 -2.302 1.00 5.37 C ATOM 0 H PHE A 93 -7.565 -18.913 -2.414 1.00 2.16 H new ATOM 0 HA PHE A 93 -8.282 -20.196 -0.760 1.00 2.47 H new ATOM 0 HB2 PHE A 93 -10.235 -19.218 0.422 1.00 2.75 H new ATOM 0 HB3 PHE A 93 -9.036 -18.043 -0.082 1.00 2.75 H new ATOM 0 HD1 PHE A 93 -9.524 -16.559 -2.060 1.00 3.92 H new ATOM 0 HD2 PHE A 93 -12.491 -19.059 -0.302 1.00 3.95 H new ATOM 0 HE1 PHE A 93 -11.285 -15.212 -3.114 1.00 4.93 H new ATOM 0 HE2 PHE A 93 -14.253 -17.715 -1.357 1.00 4.95 H new ATOM 0 HZ PHE A 93 -13.652 -15.787 -2.767 1.00 5.37 H new ATOM 2119 N PRO A 94 -9.528 -22.196 -1.442 1.00 3.52 N ATOM 2120 CA PRO A 94 -10.317 -23.411 -1.599 1.00 4.40 C ATOM 2121 C PRO A 94 -11.519 -23.407 -0.668 1.00 4.49 C ATOM 2122 O PRO A 94 -11.393 -23.692 0.523 1.00 4.82 O ATOM 2123 CB PRO A 94 -9.351 -24.538 -1.227 1.00 5.24 C ATOM 2124 CG PRO A 94 -7.992 -23.954 -1.394 1.00 4.98 C ATOM 2125 CD PRO A 94 -8.127 -22.487 -1.096 1.00 3.95 C ATOM 0 HA PRO A 94 -10.717 -23.516 -2.607 1.00 4.40 H new ATOM 0 HB2 PRO A 94 -9.513 -24.874 -0.203 1.00 5.24 H new ATOM 0 HB3 PRO A 94 -9.490 -25.405 -1.873 1.00 5.24 H new ATOM 0 HG2 PRO A 94 -7.280 -24.425 -0.716 1.00 4.98 H new ATOM 0 HG3 PRO A 94 -7.622 -24.113 -2.407 1.00 4.98 H new ATOM 0 HD2 PRO A 94 -7.918 -22.269 -0.049 1.00 3.95 H new ATOM 0 HD3 PRO A 94 -7.434 -21.891 -1.690 1.00 3.95 H new ATOM 2133 N ASP A 95 -12.656 -22.997 -1.210 1.00 4.54 N ATOM 2134 CA ASP A 95 -13.919 -22.989 -0.477 1.00 4.97 C ATOM 2135 C ASP A 95 -14.167 -24.347 0.150 1.00 4.96 C ATOM 2136 O ASP A 95 -14.451 -25.311 -0.561 1.00 5.41 O ATOM 2137 CB ASP A 95 -15.089 -22.631 -1.400 1.00 5.81 C ATOM 2138 CG ASP A 95 -14.955 -21.256 -2.018 1.00 6.62 C ATOM 2139 OD1 ASP A 95 -15.298 -20.261 -1.349 1.00 7.06 O ATOM 2140 OD2 ASP A 95 -14.514 -21.165 -3.186 1.00 7.10 O ATOM 0 H ASP A 95 -12.732 -22.660 -2.170 1.00 4.54 H new ATOM 0 HA ASP A 95 -13.849 -22.233 0.305 1.00 4.97 H new ATOM 0 HB2 ASP A 95 -15.159 -23.375 -2.194 1.00 5.81 H new ATOM 0 HB3 ASP A 95 -16.019 -22.680 -0.834 1.00 5.81 H new ATOM 2145 N LYS A 96 -14.031 -24.401 1.478 1.00 4.87 N ATOM 2146 CA LYS A 96 -14.130 -25.635 2.269 1.00 5.33 C ATOM 2147 C LYS A 96 -13.193 -26.721 1.728 1.00 5.99 C ATOM 2148 O LYS A 96 -12.376 -26.483 0.835 1.00 6.19 O ATOM 2149 CB LYS A 96 -15.583 -26.161 2.342 1.00 5.44 C ATOM 2150 CG LYS A 96 -16.052 -26.923 1.108 1.00 6.10 C ATOM 2151 CD LYS A 96 -17.462 -27.467 1.265 1.00 6.48 C ATOM 2152 CE LYS A 96 -17.910 -28.180 -0.001 1.00 7.03 C ATOM 2153 NZ LYS A 96 -19.284 -28.733 0.118 1.00 7.33 N ATOM 0 H LYS A 96 -13.846 -23.574 2.046 1.00 4.87 H new ATOM 0 HA LYS A 96 -13.817 -25.385 3.283 1.00 5.33 H new ATOM 0 HB2 LYS A 96 -15.675 -26.813 3.211 1.00 5.44 H new ATOM 0 HB3 LYS A 96 -16.252 -25.316 2.506 1.00 5.44 H new ATOM 0 HG2 LYS A 96 -16.014 -26.264 0.241 1.00 6.10 H new ATOM 0 HG3 LYS A 96 -15.367 -27.748 0.911 1.00 6.10 H new ATOM 0 HD2 LYS A 96 -17.499 -28.157 2.108 1.00 6.48 H new ATOM 0 HD3 LYS A 96 -18.148 -26.651 1.490 1.00 6.48 H new ATOM 0 HE2 LYS A 96 -17.872 -27.485 -0.839 1.00 7.03 H new ATOM 0 HE3 LYS A 96 -17.214 -28.988 -0.226 1.00 7.03 H new ATOM 0 HZ1 LYS A 96 -19.469 -29.377 -0.678 1.00 7.33 H new ATOM 0 HZ2 LYS A 96 -19.372 -29.255 1.013 1.00 7.33 H new ATOM 0 HZ3 LYS A 96 -19.974 -27.955 0.102 1.00 7.33 H new ATOM 2167 N GLN A 97 -13.273 -27.900 2.312 1.00 6.62 N ATOM 2168 CA GLN A 97 -12.569 -29.048 1.784 1.00 7.47 C ATOM 2169 C GLN A 97 -13.580 -30.111 1.385 1.00 8.21 C ATOM 2170 O GLN A 97 -14.114 -30.824 2.233 1.00 8.51 O ATOM 2171 CB GLN A 97 -11.565 -29.589 2.800 1.00 8.07 C ATOM 2172 CG GLN A 97 -10.684 -30.696 2.247 1.00 8.68 C ATOM 2173 CD GLN A 97 -9.492 -30.976 3.129 1.00 9.30 C ATOM 2174 OE1 GLN A 97 -9.558 -31.793 4.045 1.00 9.68 O ATOM 2175 NE2 GLN A 97 -8.392 -30.292 2.860 1.00 9.64 N ATOM 0 H GLN A 97 -13.819 -28.087 3.153 1.00 6.62 H new ATOM 0 HA GLN A 97 -12.001 -28.750 0.903 1.00 7.47 H new ATOM 0 HB2 GLN A 97 -10.933 -28.771 3.146 1.00 8.07 H new ATOM 0 HB3 GLN A 97 -12.105 -29.965 3.669 1.00 8.07 H new ATOM 0 HG2 GLN A 97 -11.274 -31.606 2.138 1.00 8.68 H new ATOM 0 HG3 GLN A 97 -10.339 -30.419 1.251 1.00 8.68 H new ATOM 0 HE21 GLN A 97 -8.383 -29.624 2.089 1.00 9.64 H new ATOM 0 HE22 GLN A 97 -7.553 -30.433 3.423 1.00 9.64 H new ATOM 2184 N PRO A 98 -13.880 -30.191 0.080 1.00 8.78 N ATOM 2185 CA PRO A 98 -14.932 -31.064 -0.456 1.00 9.71 C ATOM 2186 C PRO A 98 -14.725 -32.540 -0.125 1.00 10.51 C ATOM 2187 O PRO A 98 -13.955 -33.239 -0.789 1.00 10.91 O ATOM 2188 CB PRO A 98 -14.852 -30.838 -1.969 1.00 10.26 C ATOM 2189 CG PRO A 98 -14.178 -29.521 -2.128 1.00 9.76 C ATOM 2190 CD PRO A 98 -13.213 -29.422 -0.986 1.00 8.82 C ATOM 0 HA PRO A 98 -15.902 -30.823 -0.021 1.00 9.71 H new ATOM 0 HB2 PRO A 98 -14.287 -31.632 -2.457 1.00 10.26 H new ATOM 0 HB3 PRO A 98 -15.844 -30.830 -2.420 1.00 10.26 H new ATOM 0 HG2 PRO A 98 -13.660 -29.459 -3.085 1.00 9.76 H new ATOM 0 HG3 PRO A 98 -14.901 -28.705 -2.103 1.00 9.76 H new ATOM 0 HD2 PRO A 98 -12.241 -29.845 -1.241 1.00 8.82 H new ATOM 0 HD3 PRO A 98 -13.042 -28.387 -0.690 1.00 8.82 H new ATOM 2198 N ARG A 99 -15.408 -32.999 0.917 1.00 10.91 N ATOM 2199 CA ARG A 99 -15.373 -34.402 1.312 1.00 11.80 C ATOM 2200 C ARG A 99 -16.748 -35.031 1.108 1.00 12.49 C ATOM 2201 O ARG A 99 -17.031 -36.128 1.588 1.00 13.03 O ATOM 2202 CB ARG A 99 -14.930 -34.536 2.771 1.00 12.07 C ATOM 2203 CG ARG A 99 -13.502 -34.068 3.015 1.00 12.32 C ATOM 2204 CD ARG A 99 -13.090 -34.252 4.466 1.00 12.98 C ATOM 2205 NE ARG A 99 -11.689 -33.887 4.691 1.00 13.45 N ATOM 2206 CZ ARG A 99 -11.002 -34.202 5.791 1.00 14.07 C ATOM 2207 NH1 ARG A 99 -11.578 -34.892 6.768 1.00 14.29 N ATOM 2208 NH2 ARG A 99 -9.737 -33.820 5.913 1.00 14.62 N ATOM 0 H ARG A 99 -15.998 -32.414 1.508 1.00 10.91 H new ATOM 0 HA ARG A 99 -14.650 -34.928 0.688 1.00 11.80 H new ATOM 0 HB2 ARG A 99 -15.606 -33.960 3.403 1.00 12.07 H new ATOM 0 HB3 ARG A 99 -15.020 -35.579 3.076 1.00 12.07 H new ATOM 0 HG2 ARG A 99 -12.822 -34.624 2.370 1.00 12.32 H new ATOM 0 HG3 ARG A 99 -13.412 -33.017 2.742 1.00 12.32 H new ATOM 0 HD2 ARG A 99 -13.730 -33.643 5.104 1.00 12.98 H new ATOM 0 HD3 ARG A 99 -13.245 -35.291 4.758 1.00 12.98 H new ATOM 0 HE ARG A 99 -11.209 -33.359 3.962 1.00 13.45 H new ATOM 0 HH11 ARG A 99 -12.551 -35.185 6.681 1.00 14.29 H new ATOM 0 HH12 ARG A 99 -11.047 -35.130 7.606 1.00 14.29 H new ATOM 0 HH21 ARG A 99 -9.291 -33.286 5.167 1.00 14.62 H new ATOM 0 HH22 ARG A 99 -9.211 -34.060 6.753 1.00 14.62 H new ATOM 2222 N LYS A 100 -17.596 -34.313 0.388 1.00 12.64 N ATOM 2223 CA LYS A 100 -18.923 -34.791 0.036 1.00 13.44 C ATOM 2224 C LYS A 100 -19.279 -34.274 -1.350 1.00 14.06 C ATOM 2225 O LYS A 100 -19.326 -35.033 -2.317 1.00 14.46 O ATOM 2226 CB LYS A 100 -19.960 -34.314 1.053 1.00 13.66 C ATOM 2227 CG LYS A 100 -21.354 -34.872 0.819 1.00 13.92 C ATOM 2228 CD LYS A 100 -22.380 -34.178 1.693 1.00 14.26 C ATOM 2229 CE LYS A 100 -23.733 -34.864 1.629 1.00 15.02 C ATOM 2230 NZ LYS A 100 -23.706 -36.204 2.269 1.00 15.75 N ATOM 0 H LYS A 100 -17.383 -33.382 0.031 1.00 12.64 H new ATOM 0 HA LYS A 100 -18.924 -35.881 0.040 1.00 13.44 H new ATOM 0 HB2 LYS A 100 -19.630 -34.595 2.053 1.00 13.66 H new ATOM 0 HB3 LYS A 100 -20.006 -33.225 1.027 1.00 13.66 H new ATOM 0 HG2 LYS A 100 -21.625 -34.751 -0.230 1.00 13.92 H new ATOM 0 HG3 LYS A 100 -21.359 -35.942 1.028 1.00 13.92 H new ATOM 0 HD2 LYS A 100 -22.028 -34.164 2.725 1.00 14.26 H new ATOM 0 HD3 LYS A 100 -22.484 -33.140 1.377 1.00 14.26 H new ATOM 0 HE2 LYS A 100 -24.479 -34.241 2.122 1.00 15.02 H new ATOM 0 HE3 LYS A 100 -24.040 -34.965 0.588 1.00 15.02 H new ATOM 0 HZ1 LYS A 100 -24.680 -36.530 2.434 1.00 15.75 H new ATOM 0 HZ2 LYS A 100 -23.217 -36.877 1.645 1.00 15.75 H new ATOM 0 HZ3 LYS A 100 -23.203 -36.145 3.177 1.00 15.75 H new ATOM 2244 N LYS A 101 -19.514 -32.972 -1.423 1.00 14.28 N ATOM 2245 CA LYS A 101 -19.728 -32.285 -2.686 1.00 15.00 C ATOM 2246 C LYS A 101 -19.115 -30.898 -2.615 1.00 15.28 C ATOM 2247 O LYS A 101 -17.922 -30.767 -2.942 1.00 15.57 O ATOM 2248 CB LYS A 101 -21.216 -32.185 -3.030 1.00 15.30 C ATOM 2249 CG LYS A 101 -21.790 -33.447 -3.648 1.00 15.68 C ATOM 2250 CD LYS A 101 -21.055 -33.819 -4.928 1.00 15.85 C ATOM 2251 CE LYS A 101 -21.669 -35.038 -5.595 1.00 16.60 C ATOM 2252 NZ LYS A 101 -20.888 -35.467 -6.786 1.00 17.06 N ATOM 2253 OXT LYS A 101 -19.819 -29.952 -2.208 1.00 15.35 O ATOM 0 H LYS A 101 -19.562 -32.362 -0.607 1.00 14.28 H new ATOM 0 HA LYS A 101 -19.247 -32.863 -3.475 1.00 15.00 H new ATOM 0 HB2 LYS A 101 -21.774 -31.950 -2.123 1.00 15.30 H new ATOM 0 HB3 LYS A 101 -21.364 -31.354 -3.720 1.00 15.30 H new ATOM 0 HG2 LYS A 101 -21.721 -34.268 -2.934 1.00 15.68 H new ATOM 0 HG3 LYS A 101 -22.848 -33.300 -3.863 1.00 15.68 H new ATOM 0 HD2 LYS A 101 -21.078 -32.976 -5.619 1.00 15.85 H new ATOM 0 HD3 LYS A 101 -20.007 -34.017 -4.702 1.00 15.85 H new ATOM 0 HE2 LYS A 101 -21.719 -35.858 -4.879 1.00 16.60 H new ATOM 0 HE3 LYS A 101 -22.693 -34.812 -5.893 1.00 16.60 H new ATOM 0 HZ1 LYS A 101 -21.338 -36.301 -7.214 1.00 17.06 H new ATOM 0 HZ2 LYS A 101 -20.861 -34.693 -7.481 1.00 17.06 H new ATOM 0 HZ3 LYS A 101 -19.918 -35.707 -6.497 1.00 17.06 H new TER 2267 LYS A 101 ATOM 2268 N MET B 1 -3.351 2.097 -19.507 1.00 1.49 N ATOM 2269 CA MET B 1 -2.874 0.728 -19.810 1.00 0.60 C ATOM 2270 C MET B 1 -3.709 -0.308 -19.069 1.00 0.49 C ATOM 2271 O MET B 1 -4.654 -0.874 -19.620 1.00 0.58 O ATOM 2272 CB MET B 1 -1.399 0.567 -19.426 1.00 1.30 C ATOM 2273 CG MET B 1 -0.463 1.505 -20.162 1.00 1.88 C ATOM 2274 SD MET B 1 -0.502 1.265 -21.945 1.00 2.89 S ATOM 2275 CE MET B 1 0.673 2.512 -22.466 1.00 3.54 C ATOM 0 H1 MET B 1 -2.862 2.779 -20.121 1.00 1.49 H new ATOM 0 H2 MET B 1 -4.376 2.153 -19.675 1.00 1.49 H new ATOM 0 H3 MET B 1 -3.150 2.322 -18.512 1.00 1.49 H new ATOM 0 HA MET B 1 -2.979 0.569 -20.883 1.00 0.60 H new ATOM 0 HB2 MET B 1 -1.293 0.733 -18.354 1.00 1.30 H new ATOM 0 HB3 MET B 1 -1.094 -0.461 -19.621 1.00 1.30 H new ATOM 0 HG2 MET B 1 -0.733 2.536 -19.932 1.00 1.88 H new ATOM 0 HG3 MET B 1 0.554 1.354 -19.801 1.00 1.88 H new ATOM 0 HE1 MET B 1 0.765 2.494 -23.552 1.00 3.54 H new ATOM 0 HE2 MET B 1 0.326 3.495 -22.147 1.00 3.54 H new ATOM 0 HE3 MET B 1 1.645 2.307 -22.016 1.00 3.54 H new ATOM 2285 N ALA B 2 -3.361 -0.544 -17.814 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.036 -1.529 -16.995 1.00 0.30 C ATOM 2287 C ALA B 2 -4.999 -0.831 -16.051 1.00 0.27 C ATOM 2288 O ALA B 2 -5.042 0.398 -16.015 1.00 0.36 O ATOM 2289 CB ALA B 2 -3.020 -2.355 -16.223 1.00 0.30 C ATOM 0 H ALA B 2 -2.602 -0.056 -17.338 1.00 0.34 H new ATOM 0 HA ALA B 2 -4.603 -2.205 -17.634 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.540 -3.092 -15.611 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.359 -2.866 -16.923 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.431 -1.700 -15.581 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.800 -1.600 -15.329 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.642 -1.049 -14.283 1.00 0.23 C ATOM 2297 C CYS B 3 -5.754 -0.572 -13.142 1.00 0.17 C ATOM 2298 O CYS B 3 -5.227 -1.380 -12.378 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.632 -2.099 -13.791 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.625 -2.834 -15.108 1.00 0.39 S ATOM 0 H CYS B 3 -5.883 -2.609 -15.450 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.215 -0.208 -14.674 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.085 -2.889 -13.277 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.297 -1.643 -13.058 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.133 -3.957 -14.694 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.578 0.750 -13.032 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.563 1.356 -12.161 1.00 0.13 C ATOM 2308 C PRO B 4 -4.640 0.881 -10.716 1.00 0.12 C ATOM 2309 O PRO B 4 -3.711 0.242 -10.213 1.00 0.12 O ATOM 2310 CB PRO B 4 -4.898 2.842 -12.238 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.551 3.010 -13.560 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.371 1.772 -13.740 1.00 0.20 C ATOM 0 HA PRO B 4 -3.555 1.094 -12.481 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.562 3.141 -11.427 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -4.001 3.455 -12.158 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.174 3.904 -13.583 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.813 3.115 -14.355 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.367 1.880 -13.311 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.503 1.524 -14.793 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.757 1.161 -10.065 1.00 0.13 N ATOM 2321 CA LEU B 5 -5.919 0.829 -8.662 1.00 0.14 C ATOM 2322 C LEU B 5 -6.030 -0.684 -8.474 1.00 0.16 C ATOM 2323 O LEU B 5 -5.603 -1.216 -7.456 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.153 1.539 -8.098 1.00 0.15 C ATOM 2325 CG LEU B 5 -6.995 2.154 -6.704 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.809 1.078 -5.666 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.824 3.120 -6.663 1.00 0.17 C ATOM 0 H LEU B 5 -6.565 1.618 -10.488 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.039 1.170 -8.116 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.442 2.329 -8.791 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -7.976 0.825 -8.067 1.00 0.15 H new ATOM 0 HG LEU B 5 -7.907 2.707 -6.480 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.699 1.536 -4.683 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.678 0.420 -5.664 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -5.916 0.499 -5.899 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.735 3.542 -5.662 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -4.906 2.590 -6.916 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -5.989 3.923 -7.381 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.574 -1.374 -9.472 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.744 -2.820 -9.377 1.00 0.20 C ATOM 2341 C GLU B 6 -5.397 -3.527 -9.379 1.00 0.18 C ATOM 2342 O GLU B 6 -5.144 -4.405 -8.550 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.612 -3.360 -10.515 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.786 -4.872 -10.469 1.00 0.43 C ATOM 2345 CD GLU B 6 -8.832 -5.386 -11.438 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -8.892 -4.886 -12.578 1.00 1.39 O ATOM 2347 OE2 GLU B 6 -9.590 -6.306 -11.066 1.00 1.79 O ATOM 0 H GLU B 6 -6.901 -0.962 -10.346 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.250 -3.022 -8.433 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.593 -2.886 -10.472 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -7.165 -3.081 -11.469 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -6.831 -5.347 -10.691 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.062 -5.168 -9.457 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.522 -3.137 -10.300 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.224 -3.776 -10.412 1.00 0.18 C ATOM 2356 C LYS B 7 -2.390 -3.507 -9.172 1.00 0.17 C ATOM 2357 O LYS B 7 -1.548 -4.313 -8.813 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.477 -3.325 -11.678 1.00 0.25 C ATOM 2359 CG LYS B 7 -3.201 -3.675 -12.976 1.00 0.41 C ATOM 2360 CD LYS B 7 -3.745 -5.099 -12.973 1.00 0.90 C ATOM 2361 CE LYS B 7 -2.646 -6.135 -12.811 1.00 0.84 C ATOM 2362 NZ LYS B 7 -1.768 -6.224 -14.004 1.00 1.18 N ATOM 0 H LYS B 7 -4.689 -2.388 -10.972 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.390 -4.850 -10.495 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.327 -2.246 -11.636 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.488 -3.784 -11.689 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -4.023 -2.976 -13.130 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.516 -3.552 -13.815 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -4.467 -5.208 -12.163 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -4.281 -5.283 -13.904 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -2.043 -5.886 -11.938 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -3.095 -7.110 -12.621 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -1.035 -6.944 -13.843 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -2.336 -6.488 -14.834 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -1.316 -5.302 -14.172 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.653 -2.389 -8.505 1.00 0.17 N ATOM 2377 CA ALA B 8 -1.949 -2.041 -7.274 1.00 0.17 C ATOM 2378 C ALA B 8 -1.953 -3.200 -6.275 1.00 0.17 C ATOM 2379 O ALA B 8 -0.903 -3.577 -5.760 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.558 -0.799 -6.642 1.00 0.18 C ATOM 0 H ALA B 8 -3.351 -1.705 -8.797 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.912 -1.831 -7.538 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.020 -0.556 -5.726 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.485 0.036 -7.338 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.606 -0.986 -6.408 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.125 -3.774 -6.012 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.219 -4.888 -5.067 1.00 0.12 C ATOM 2388 C LEU B 9 -2.739 -6.177 -5.719 1.00 0.14 C ATOM 2389 O LEU B 9 -2.057 -6.988 -5.089 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.652 -5.089 -4.537 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.340 -3.849 -3.953 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.370 -3.046 -3.122 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -5.952 -2.978 -5.033 1.00 0.13 C ATOM 0 H LEU B 9 -4.011 -3.493 -6.432 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.580 -4.637 -4.220 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.268 -5.470 -5.352 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.627 -5.861 -3.768 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.150 -4.200 -3.314 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.877 -2.170 -2.716 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -3.996 -3.661 -2.303 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.535 -2.726 -3.745 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.429 -2.111 -4.575 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.172 -2.644 -5.717 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.696 -3.552 -5.585 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.094 -6.347 -6.987 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.722 -7.536 -7.754 1.00 0.16 C ATOM 2407 C ASP B 10 -1.209 -7.728 -7.786 1.00 0.15 C ATOM 2408 O ASP B 10 -0.704 -8.817 -7.511 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.266 -7.424 -9.185 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.686 -8.462 -10.131 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -1.630 -8.191 -10.743 1.00 1.19 O ATOM 2412 OD2 ASP B 10 -3.297 -9.540 -10.293 1.00 1.22 O ATOM 0 H ASP B 10 -3.646 -5.669 -7.513 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.160 -8.405 -7.263 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.351 -7.528 -9.163 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -3.049 -6.428 -9.572 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.489 -6.663 -8.097 1.00 0.15 N ATOM 2418 CA VAL B 11 0.951 -6.749 -8.275 1.00 0.16 C ATOM 2419 C VAL B 11 1.676 -6.903 -6.946 1.00 0.16 C ATOM 2420 O VAL B 11 2.785 -7.429 -6.909 1.00 0.20 O ATOM 2421 CB VAL B 11 1.510 -5.528 -9.023 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.768 -5.331 -10.335 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.440 -4.274 -8.160 1.00 0.17 C ATOM 0 H VAL B 11 -0.878 -5.730 -8.231 1.00 0.15 H new ATOM 0 HA VAL B 11 1.129 -7.640 -8.878 1.00 0.16 H new ATOM 0 HB VAL B 11 2.561 -5.713 -9.245 1.00 0.18 H new ATOM 0 HG11 VAL B 11 1.173 -4.463 -10.855 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.889 -6.217 -10.958 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.291 -5.171 -10.134 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.842 -3.427 -8.716 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.402 -4.073 -7.893 1.00 0.17 H new ATOM 0 HG23 VAL B 11 2.025 -4.424 -7.253 1.00 0.17 H new ATOM 2433 N MET B 12 1.052 -6.464 -5.856 1.00 0.16 N ATOM 2434 CA MET B 12 1.670 -6.595 -4.541 1.00 0.20 C ATOM 2435 C MET B 12 1.958 -8.051 -4.232 1.00 0.23 C ATOM 2436 O MET B 12 3.011 -8.369 -3.701 1.00 0.39 O ATOM 2437 CB MET B 12 0.798 -6.023 -3.434 1.00 0.27 C ATOM 2438 CG MET B 12 0.691 -4.510 -3.427 1.00 0.16 C ATOM 2439 SD MET B 12 0.519 -3.861 -1.758 1.00 0.78 S ATOM 2440 CE MET B 12 0.081 -2.173 -2.102 1.00 0.19 C ATOM 0 H MET B 12 0.133 -6.021 -5.856 1.00 0.16 H new ATOM 0 HA MET B 12 2.599 -6.026 -4.576 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.203 -6.444 -3.525 1.00 0.27 H new ATOM 0 HB3 MET B 12 1.195 -6.350 -2.473 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.577 -4.081 -3.895 1.00 0.16 H new ATOM 0 HG3 MET B 12 -0.166 -4.203 -4.027 1.00 0.16 H new ATOM 0 HE1 MET B 12 0.591 -1.514 -1.399 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.380 -1.920 -3.119 1.00 0.19 H new ATOM 0 HE3 MET B 12 -0.997 -2.049 -1.999 1.00 0.19 H new ATOM 2450 N VAL B 13 1.018 -8.931 -4.565 1.00 0.18 N ATOM 2451 CA VAL B 13 1.201 -10.361 -4.333 1.00 0.19 C ATOM 2452 C VAL B 13 1.825 -11.053 -5.546 1.00 0.19 C ATOM 2453 O VAL B 13 2.388 -12.138 -5.426 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.122 -11.066 -3.953 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.666 -10.516 -2.649 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.158 -10.936 -5.055 1.00 0.22 C ATOM 0 H VAL B 13 0.127 -8.682 -4.994 1.00 0.18 H new ATOM 0 HA VAL B 13 1.886 -10.446 -3.489 1.00 0.19 H new ATOM 0 HB VAL B 13 0.096 -12.126 -3.822 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.597 -11.025 -2.400 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.061 -10.679 -1.854 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.854 -9.448 -2.755 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -2.075 -11.443 -4.754 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.368 -9.882 -5.234 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.776 -11.390 -5.969 1.00 0.22 H new ATOM 2466 N SER B 14 1.735 -10.422 -6.712 1.00 0.18 N ATOM 2467 CA SER B 14 2.297 -10.993 -7.931 1.00 0.21 C ATOM 2468 C SER B 14 3.807 -10.767 -7.998 1.00 0.23 C ATOM 2469 O SER B 14 4.584 -11.722 -8.078 1.00 0.26 O ATOM 2470 CB SER B 14 1.609 -10.399 -9.162 1.00 0.23 C ATOM 2471 OG SER B 14 0.225 -10.709 -9.168 1.00 1.12 O ATOM 0 H SER B 14 1.280 -9.518 -6.839 1.00 0.18 H new ATOM 0 HA SER B 14 2.119 -12.068 -7.916 1.00 0.21 H new ATOM 0 HB2 SER B 14 1.743 -9.317 -9.172 1.00 0.23 H new ATOM 0 HB3 SER B 14 2.076 -10.787 -10.067 1.00 0.23 H new ATOM 0 HG SER B 14 -0.218 -10.240 -8.431 1.00 1.12 H new ATOM 2477 N THR B 15 4.218 -9.505 -7.943 1.00 0.24 N ATOM 2478 CA THR B 15 5.631 -9.152 -7.944 1.00 0.26 C ATOM 2479 C THR B 15 6.290 -9.645 -6.652 1.00 0.28 C ATOM 2480 O THR B 15 7.502 -9.865 -6.595 1.00 0.31 O ATOM 2481 CB THR B 15 5.805 -7.622 -8.085 1.00 0.27 C ATOM 2482 OG1 THR B 15 5.014 -7.144 -9.185 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.259 -7.250 -8.322 1.00 0.25 C ATOM 0 H THR B 15 3.587 -8.705 -7.897 1.00 0.24 H new ATOM 0 HA THR B 15 6.114 -9.633 -8.795 1.00 0.26 H new ATOM 0 HB THR B 15 5.476 -7.160 -7.154 1.00 0.27 H new ATOM 0 HG1 THR B 15 5.511 -6.453 -9.670 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.347 -6.168 -8.417 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.863 -7.591 -7.481 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.611 -7.724 -9.238 1.00 0.25 H new ATOM 2491 N PHE B 16 5.454 -9.835 -5.634 1.00 0.30 N ATOM 2492 CA PHE B 16 5.863 -10.371 -4.337 1.00 0.36 C ATOM 2493 C PHE B 16 6.718 -11.627 -4.497 1.00 0.40 C ATOM 2494 O PHE B 16 7.930 -11.591 -4.298 1.00 0.51 O ATOM 2495 CB PHE B 16 4.601 -10.709 -3.543 1.00 0.44 C ATOM 2496 CG PHE B 16 4.799 -11.001 -2.088 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.522 -10.143 -1.280 1.00 1.27 C ATOM 2498 CD2 PHE B 16 4.221 -12.121 -1.518 1.00 1.21 C ATOM 2499 CE1 PHE B 16 5.672 -10.400 0.068 1.00 1.42 C ATOM 2500 CE2 PHE B 16 4.370 -12.386 -0.173 1.00 1.38 C ATOM 2501 CZ PHE B 16 5.096 -11.523 0.621 1.00 0.97 C ATOM 0 H PHE B 16 4.459 -9.618 -5.687 1.00 0.30 H new ATOM 0 HA PHE B 16 6.464 -9.626 -3.816 1.00 0.36 H new ATOM 0 HB2 PHE B 16 3.904 -9.876 -3.634 1.00 0.44 H new ATOM 0 HB3 PHE B 16 4.126 -11.574 -4.005 1.00 0.44 H new ATOM 0 HD1 PHE B 16 5.975 -9.261 -1.709 1.00 1.27 H new ATOM 0 HD2 PHE B 16 3.646 -12.796 -2.134 1.00 1.21 H new ATOM 0 HE1 PHE B 16 6.240 -9.722 0.688 1.00 1.42 H new ATOM 0 HE2 PHE B 16 3.919 -13.268 0.258 1.00 1.38 H new ATOM 0 HZ PHE B 16 5.213 -11.727 1.675 1.00 0.97 H new ATOM 2511 N HIS B 17 6.080 -12.722 -4.914 1.00 0.41 N ATOM 2512 CA HIS B 17 6.756 -14.016 -5.033 1.00 0.51 C ATOM 2513 C HIS B 17 7.736 -14.021 -6.203 1.00 0.45 C ATOM 2514 O HIS B 17 8.575 -14.911 -6.323 1.00 0.51 O ATOM 2515 CB HIS B 17 5.739 -15.161 -5.186 1.00 0.68 C ATOM 2516 CG HIS B 17 4.914 -15.106 -6.440 1.00 1.09 C ATOM 2517 ND1 HIS B 17 3.716 -14.525 -6.689 1.00 2.16 N flip ATOM 2518 CD2 HIS B 17 5.292 -15.706 -7.619 1.00 1.26 C flip ATOM 2519 CE1 HIS B 17 3.402 -14.784 -7.999 1.00 2.82 C flip ATOM 2520 NE2 HIS B 17 4.369 -15.498 -8.535 1.00 2.30 N flip ATOM 0 H HIS B 17 5.094 -12.739 -5.176 1.00 0.41 H new ATOM 0 HA HIS B 17 7.319 -14.176 -4.113 1.00 0.51 H new ATOM 0 HB2 HIS B 17 6.275 -16.110 -5.161 1.00 0.68 H new ATOM 0 HB3 HIS B 17 5.069 -15.151 -4.326 1.00 0.68 H new ATOM 0 HD1 HIS B 17 3.152 -13.994 -6.026 1.00 2.16 H new ATOM 0 HD2 HIS B 17 6.205 -16.262 -7.770 1.00 1.26 H new ATOM 0 HE1 HIS B 17 2.508 -14.456 -8.507 1.00 2.82 H new ATOM 2529 N LYS B 18 7.610 -13.016 -7.054 1.00 0.42 N ATOM 2530 CA LYS B 18 8.433 -12.888 -8.246 1.00 0.46 C ATOM 2531 C LYS B 18 9.909 -12.691 -7.883 1.00 0.45 C ATOM 2532 O LYS B 18 10.799 -13.156 -8.595 1.00 0.62 O ATOM 2533 CB LYS B 18 7.910 -11.710 -9.073 1.00 0.55 C ATOM 2534 CG LYS B 18 8.687 -11.409 -10.340 1.00 0.76 C ATOM 2535 CD LYS B 18 8.075 -10.222 -11.062 1.00 0.71 C ATOM 2536 CE LYS B 18 8.885 -9.809 -12.276 1.00 1.40 C ATOM 2537 NZ LYS B 18 8.267 -8.652 -12.979 1.00 1.67 N ATOM 0 H LYS B 18 6.932 -12.263 -6.937 1.00 0.42 H new ATOM 0 HA LYS B 18 8.370 -13.805 -8.831 1.00 0.46 H new ATOM 0 HB2 LYS B 18 6.873 -11.909 -9.342 1.00 0.55 H new ATOM 0 HB3 LYS B 18 7.911 -10.819 -8.446 1.00 0.55 H new ATOM 0 HG2 LYS B 18 9.728 -11.198 -10.095 1.00 0.76 H new ATOM 0 HG3 LYS B 18 8.684 -12.282 -10.993 1.00 0.76 H new ATOM 0 HD2 LYS B 18 7.060 -10.472 -11.372 1.00 0.71 H new ATOM 0 HD3 LYS B 18 8.000 -9.380 -10.374 1.00 0.71 H new ATOM 0 HE2 LYS B 18 9.898 -9.549 -11.967 1.00 1.40 H new ATOM 0 HE3 LYS B 18 8.967 -10.651 -12.963 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 8.847 -8.397 -13.804 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 7.310 -8.909 -13.295 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 8.212 -7.841 -12.330 1.00 1.67 H new ATOM 2551 N TYR B 19 10.164 -12.020 -6.764 1.00 0.39 N ATOM 2552 CA TYR B 19 11.540 -11.750 -6.345 1.00 0.43 C ATOM 2553 C TYR B 19 11.868 -12.376 -4.999 1.00 0.50 C ATOM 2554 O TYR B 19 13.024 -12.677 -4.734 1.00 0.74 O ATOM 2555 CB TYR B 19 11.802 -10.241 -6.301 1.00 0.46 C ATOM 2556 CG TYR B 19 11.811 -9.597 -7.668 1.00 0.41 C ATOM 2557 CD1 TYR B 19 12.947 -9.648 -8.468 1.00 1.17 C ATOM 2558 CD2 TYR B 19 10.689 -8.951 -8.164 1.00 1.17 C ATOM 2559 CE1 TYR B 19 12.960 -9.075 -9.724 1.00 1.21 C ATOM 2560 CE2 TYR B 19 10.694 -8.372 -9.418 1.00 1.17 C ATOM 2561 CZ TYR B 19 11.831 -8.438 -10.194 1.00 0.50 C ATOM 2562 OH TYR B 19 11.834 -7.876 -11.449 1.00 0.61 O ATOM 0 H TYR B 19 9.447 -11.656 -6.136 1.00 0.39 H new ATOM 0 HA TYR B 19 12.194 -12.209 -7.087 1.00 0.43 H new ATOM 0 HB2 TYR B 19 11.038 -9.764 -5.687 1.00 0.46 H new ATOM 0 HB3 TYR B 19 12.761 -10.059 -5.815 1.00 0.46 H new ATOM 0 HD1 TYR B 19 13.833 -10.144 -8.101 1.00 1.17 H new ATOM 0 HD2 TYR B 19 9.796 -8.900 -7.559 1.00 1.17 H new ATOM 0 HE1 TYR B 19 13.849 -9.125 -10.335 1.00 1.21 H new ATOM 0 HE2 TYR B 19 9.812 -7.870 -9.788 1.00 1.17 H new ATOM 0 HH TYR B 19 10.961 -7.468 -11.627 1.00 0.61 H new ATOM 2572 N SER B 20 10.863 -12.578 -4.160 1.00 0.41 N ATOM 2573 CA SER B 20 11.080 -13.151 -2.837 1.00 0.48 C ATOM 2574 C SER B 20 11.494 -14.615 -2.934 1.00 0.57 C ATOM 2575 O SER B 20 12.433 -15.056 -2.268 1.00 0.70 O ATOM 2576 CB SER B 20 9.806 -13.032 -2.015 1.00 0.49 C ATOM 2577 OG SER B 20 8.712 -13.583 -2.721 1.00 0.53 O ATOM 0 H SER B 20 9.890 -12.355 -4.370 1.00 0.41 H new ATOM 0 HA SER B 20 11.886 -12.600 -2.352 1.00 0.48 H new ATOM 0 HB2 SER B 20 9.930 -13.548 -1.063 1.00 0.49 H new ATOM 0 HB3 SER B 20 9.609 -11.985 -1.786 1.00 0.49 H new ATOM 0 HG SER B 20 8.204 -12.863 -3.151 1.00 0.53 H new ATOM 2583 N GLY B 21 10.795 -15.363 -3.783 1.00 0.57 N ATOM 2584 CA GLY B 21 11.074 -16.776 -3.942 1.00 0.68 C ATOM 2585 C GLY B 21 12.293 -17.040 -4.804 1.00 0.71 C ATOM 2586 O GLY B 21 12.329 -18.015 -5.557 1.00 0.86 O ATOM 0 H GLY B 21 10.036 -15.011 -4.366 1.00 0.57 H new ATOM 0 HA2 GLY B 21 11.225 -17.225 -2.960 1.00 0.68 H new ATOM 0 HA3 GLY B 21 10.207 -17.265 -4.386 1.00 0.68 H new ATOM 2590 N LYS B 22 13.284 -16.169 -4.708 1.00 0.73 N ATOM 2591 CA LYS B 22 14.525 -16.348 -5.433 1.00 0.79 C ATOM 2592 C LYS B 22 15.625 -16.813 -4.483 1.00 0.88 C ATOM 2593 O LYS B 22 16.199 -17.892 -4.660 1.00 0.96 O ATOM 2594 CB LYS B 22 14.930 -15.054 -6.150 1.00 0.81 C ATOM 2595 CG LYS B 22 14.072 -14.729 -7.363 1.00 1.23 C ATOM 2596 CD LYS B 22 14.655 -13.572 -8.161 1.00 1.30 C ATOM 2597 CE LYS B 22 16.019 -13.932 -8.733 1.00 1.75 C ATOM 2598 NZ LYS B 22 16.615 -12.818 -9.515 1.00 2.10 N ATOM 0 H LYS B 22 13.250 -15.328 -4.132 1.00 0.73 H new ATOM 0 HA LYS B 22 14.377 -17.116 -6.193 1.00 0.79 H new ATOM 0 HB2 LYS B 22 14.873 -14.226 -5.444 1.00 0.81 H new ATOM 0 HB3 LYS B 22 15.971 -15.134 -6.464 1.00 0.81 H new ATOM 0 HG2 LYS B 22 13.992 -15.609 -8.001 1.00 1.23 H new ATOM 0 HG3 LYS B 22 13.062 -14.477 -7.039 1.00 1.23 H new ATOM 0 HD2 LYS B 22 13.976 -13.307 -8.971 1.00 1.30 H new ATOM 0 HD3 LYS B 22 14.746 -12.694 -7.521 1.00 1.30 H new ATOM 0 HE2 LYS B 22 16.692 -14.202 -7.919 1.00 1.75 H new ATOM 0 HE3 LYS B 22 15.922 -14.810 -9.372 1.00 1.75 H new ATOM 0 HZ1 LYS B 22 17.181 -13.206 -10.297 1.00 2.10 H new ATOM 0 HZ2 LYS B 22 15.857 -12.220 -9.900 1.00 2.10 H new ATOM 0 HZ3 LYS B 22 17.225 -12.247 -8.896 1.00 2.10 H new ATOM 2612 N GLU B 23 15.906 -16.014 -3.463 1.00 0.97 N ATOM 2613 CA GLU B 23 16.901 -16.381 -2.463 1.00 1.14 C ATOM 2614 C GLU B 23 16.252 -16.669 -1.112 1.00 1.25 C ATOM 2615 O GLU B 23 16.934 -17.052 -0.162 1.00 1.57 O ATOM 2616 CB GLU B 23 17.952 -15.280 -2.299 1.00 1.46 C ATOM 2617 CG GLU B 23 18.869 -15.119 -3.500 1.00 1.92 C ATOM 2618 CD GLU B 23 19.951 -14.081 -3.269 1.00 2.47 C ATOM 2619 OE1 GLU B 23 20.774 -14.267 -2.343 1.00 2.95 O ATOM 2620 OE2 GLU B 23 19.999 -13.087 -4.018 1.00 3.11 O ATOM 0 H GLU B 23 15.461 -15.110 -3.306 1.00 0.97 H new ATOM 0 HA GLU B 23 17.390 -17.288 -2.818 1.00 1.14 H new ATOM 0 HB2 GLU B 23 17.446 -14.333 -2.112 1.00 1.46 H new ATOM 0 HB3 GLU B 23 18.557 -15.497 -1.419 1.00 1.46 H new ATOM 0 HG2 GLU B 23 19.333 -16.078 -3.730 1.00 1.92 H new ATOM 0 HG3 GLU B 23 18.277 -14.835 -4.370 1.00 1.92 H new ATOM 2627 N GLY B 24 14.940 -16.492 -1.022 1.00 1.31 N ATOM 2628 CA GLY B 24 14.248 -16.738 0.229 1.00 1.56 C ATOM 2629 C GLY B 24 12.871 -17.331 0.020 1.00 1.33 C ATOM 2630 O GLY B 24 12.595 -17.929 -1.021 1.00 1.43 O ATOM 0 H GLY B 24 14.344 -16.183 -1.790 1.00 1.31 H new ATOM 0 HA2 GLY B 24 14.843 -17.415 0.843 1.00 1.56 H new ATOM 0 HA3 GLY B 24 14.158 -15.803 0.781 1.00 1.56 H new ATOM 2634 N ASP B 25 12.009 -17.181 1.019 1.00 1.16 N ATOM 2635 CA ASP B 25 10.628 -17.640 0.912 1.00 1.06 C ATOM 2636 C ASP B 25 9.859 -16.721 -0.022 1.00 0.90 C ATOM 2637 O ASP B 25 10.185 -15.547 -0.141 1.00 0.91 O ATOM 2638 CB ASP B 25 9.944 -17.657 2.282 1.00 1.15 C ATOM 2639 CG ASP B 25 10.555 -18.655 3.240 1.00 1.33 C ATOM 2640 OD1 ASP B 25 11.536 -18.303 3.926 1.00 1.82 O ATOM 2641 OD2 ASP B 25 10.050 -19.790 3.332 1.00 1.98 O ATOM 0 H ASP B 25 12.241 -16.746 1.912 1.00 1.16 H new ATOM 0 HA ASP B 25 10.635 -18.656 0.517 1.00 1.06 H new ATOM 0 HB2 ASP B 25 9.999 -16.661 2.721 1.00 1.15 H new ATOM 0 HB3 ASP B 25 8.887 -17.889 2.151 1.00 1.15 H new ATOM 2646 N LYS B 26 8.816 -17.236 -0.651 1.00 0.95 N ATOM 2647 CA LYS B 26 8.058 -16.453 -1.624 1.00 0.88 C ATOM 2648 C LYS B 26 7.196 -15.395 -0.937 1.00 0.83 C ATOM 2649 O LYS B 26 6.536 -14.589 -1.593 1.00 0.88 O ATOM 2650 CB LYS B 26 7.179 -17.363 -2.464 1.00 1.08 C ATOM 2651 CG LYS B 26 6.086 -18.044 -1.665 1.00 1.43 C ATOM 2652 CD LYS B 26 5.401 -19.111 -2.479 1.00 1.59 C ATOM 2653 CE LYS B 26 4.642 -18.529 -3.663 1.00 1.81 C ATOM 2654 NZ LYS B 26 4.036 -19.587 -4.512 1.00 2.62 N ATOM 0 H LYS B 26 8.473 -18.186 -0.510 1.00 0.95 H new ATOM 0 HA LYS B 26 8.774 -15.945 -2.270 1.00 0.88 H new ATOM 0 HB2 LYS B 26 6.725 -16.780 -3.265 1.00 1.08 H new ATOM 0 HB3 LYS B 26 7.801 -18.123 -2.937 1.00 1.08 H new ATOM 0 HG2 LYS B 26 6.512 -18.487 -0.765 1.00 1.43 H new ATOM 0 HG3 LYS B 26 5.354 -17.304 -1.341 1.00 1.43 H new ATOM 0 HD2 LYS B 26 6.143 -19.824 -2.839 1.00 1.59 H new ATOM 0 HD3 LYS B 26 4.710 -19.664 -1.843 1.00 1.59 H new ATOM 0 HE2 LYS B 26 3.859 -17.863 -3.300 1.00 1.81 H new ATOM 0 HE3 LYS B 26 5.320 -17.925 -4.266 1.00 1.81 H new ATOM 0 HZ1 LYS B 26 3.529 -19.147 -5.306 1.00 2.62 H new ATOM 0 HZ2 LYS B 26 4.785 -20.208 -4.881 1.00 2.62 H new ATOM 0 HZ3 LYS B 26 3.369 -20.148 -3.944 1.00 2.62 H new ATOM 2668 N PHE B 27 7.194 -15.416 0.381 1.00 0.79 N ATOM 2669 CA PHE B 27 6.530 -14.388 1.163 1.00 0.79 C ATOM 2670 C PHE B 27 7.554 -13.638 1.993 1.00 0.71 C ATOM 2671 O PHE B 27 7.211 -12.844 2.867 1.00 0.70 O ATOM 2672 CB PHE B 27 5.443 -15.001 2.056 1.00 0.99 C ATOM 2673 CG PHE B 27 5.875 -16.243 2.787 1.00 0.72 C ATOM 2674 CD1 PHE B 27 6.744 -16.169 3.864 1.00 1.64 C ATOM 2675 CD2 PHE B 27 5.406 -17.486 2.394 1.00 1.53 C ATOM 2676 CE1 PHE B 27 7.140 -17.311 4.532 1.00 2.41 C ATOM 2677 CE2 PHE B 27 5.798 -18.631 3.058 1.00 2.34 C ATOM 2678 CZ PHE B 27 6.666 -18.544 4.129 1.00 2.60 C ATOM 0 H PHE B 27 7.648 -16.140 0.938 1.00 0.79 H new ATOM 0 HA PHE B 27 6.044 -13.686 0.486 1.00 0.79 H new ATOM 0 HB2 PHE B 27 5.124 -14.256 2.785 1.00 0.99 H new ATOM 0 HB3 PHE B 27 4.574 -15.238 1.442 1.00 0.99 H new ATOM 0 HD1 PHE B 27 7.116 -15.207 4.185 1.00 1.64 H new ATOM 0 HD2 PHE B 27 4.726 -17.560 1.558 1.00 1.53 H new ATOM 0 HE1 PHE B 27 7.819 -17.240 5.368 1.00 2.41 H new ATOM 0 HE2 PHE B 27 5.426 -19.594 2.740 1.00 2.34 H new ATOM 0 HZ PHE B 27 6.973 -19.439 4.650 1.00 2.60 H new ATOM 2688 N LYS B 28 8.816 -13.900 1.704 1.00 0.69 N ATOM 2689 CA LYS B 28 9.904 -13.244 2.413 1.00 0.68 C ATOM 2690 C LYS B 28 10.837 -12.528 1.450 1.00 0.50 C ATOM 2691 O LYS B 28 11.475 -13.156 0.611 1.00 0.54 O ATOM 2692 CB LYS B 28 10.706 -14.275 3.201 1.00 0.92 C ATOM 2693 CG LYS B 28 10.941 -13.900 4.650 1.00 0.93 C ATOM 2694 CD LYS B 28 9.636 -13.824 5.417 1.00 0.98 C ATOM 2695 CE LYS B 28 9.849 -14.028 6.905 1.00 1.51 C ATOM 2696 NZ LYS B 28 10.631 -15.261 7.191 1.00 1.98 N ATOM 0 H LYS B 28 9.114 -14.560 0.986 1.00 0.69 H new ATOM 0 HA LYS B 28 9.466 -12.510 3.089 1.00 0.68 H new ATOM 0 HB2 LYS B 28 10.184 -15.231 3.164 1.00 0.92 H new ATOM 0 HB3 LYS B 28 11.670 -14.420 2.713 1.00 0.92 H new ATOM 0 HG2 LYS B 28 11.597 -14.635 5.116 1.00 0.93 H new ATOM 0 HG3 LYS B 28 11.452 -12.939 4.701 1.00 0.93 H new ATOM 0 HD2 LYS B 28 9.169 -12.854 5.246 1.00 0.98 H new ATOM 0 HD3 LYS B 28 8.948 -14.581 5.040 1.00 0.98 H new ATOM 0 HE2 LYS B 28 10.369 -13.164 7.319 1.00 1.51 H new ATOM 0 HE3 LYS B 28 8.882 -14.087 7.405 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 10.447 -15.570 8.167 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 10.348 -16.013 6.530 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 11.646 -15.063 7.076 1.00 1.98 H new ATOM 2710 N LEU B 29 10.939 -11.219 1.584 1.00 0.38 N ATOM 2711 CA LEU B 29 11.897 -10.468 0.794 1.00 0.32 C ATOM 2712 C LEU B 29 13.011 -9.939 1.671 1.00 0.33 C ATOM 2713 O LEU B 29 12.827 -8.978 2.416 1.00 0.42 O ATOM 2714 CB LEU B 29 11.250 -9.306 0.035 1.00 0.29 C ATOM 2715 CG LEU B 29 10.418 -9.700 -1.184 1.00 0.29 C ATOM 2716 CD1 LEU B 29 8.978 -9.944 -0.793 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.511 -8.631 -2.260 1.00 0.31 C ATOM 0 H LEU B 29 10.377 -10.658 2.225 1.00 0.38 H new ATOM 0 HA LEU B 29 12.303 -11.161 0.057 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.612 -8.754 0.725 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.036 -8.623 -0.288 1.00 0.29 H new ATOM 0 HG LEU B 29 10.820 -10.629 -1.589 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.403 -10.223 -1.676 1.00 0.34 H new ATOM 0 HD12 LEU B 29 8.931 -10.750 -0.060 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.559 -9.035 -0.360 1.00 0.34 H new ATOM 0 HD21 LEU B 29 9.912 -8.928 -3.121 1.00 0.31 H new ATOM 0 HD22 LEU B 29 10.137 -7.686 -1.867 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.551 -8.511 -2.565 1.00 0.31 H new ATOM 2729 N ASN B 30 14.166 -10.581 1.598 1.00 0.31 N ATOM 2730 CA ASN B 30 15.337 -10.083 2.295 1.00 0.31 C ATOM 2731 C ASN B 30 15.937 -8.940 1.488 1.00 0.27 C ATOM 2732 O ASN B 30 15.358 -8.521 0.483 1.00 0.26 O ATOM 2733 CB ASN B 30 16.379 -11.191 2.518 1.00 0.35 C ATOM 2734 CG ASN B 30 17.141 -11.555 1.261 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.160 -10.944 0.940 1.00 1.17 O ATOM 2736 ND2 ASN B 30 16.677 -12.565 0.556 1.00 0.60 N ATOM 0 H ASN B 30 14.316 -11.440 1.068 1.00 0.31 H new ATOM 0 HA ASN B 30 15.036 -9.727 3.280 1.00 0.31 H new ATOM 0 HB2 ASN B 30 17.085 -10.868 3.283 1.00 0.35 H new ATOM 0 HB3 ASN B 30 15.878 -12.080 2.902 1.00 0.35 H new ATOM 0 HD21 ASN B 30 17.165 -12.865 -0.288 1.00 0.60 H new ATOM 0 HD22 ASN B 30 15.829 -13.048 0.853 1.00 0.60 H new ATOM 2743 N LYS B 31 17.085 -8.442 1.929 1.00 0.27 N ATOM 2744 CA LYS B 31 17.754 -7.328 1.270 1.00 0.26 C ATOM 2745 C LYS B 31 17.826 -7.518 -0.249 1.00 0.25 C ATOM 2746 O LYS B 31 17.440 -6.639 -1.017 1.00 0.28 O ATOM 2747 CB LYS B 31 19.175 -7.169 1.809 1.00 0.29 C ATOM 2748 CG LYS B 31 19.249 -6.839 3.287 1.00 0.40 C ATOM 2749 CD LYS B 31 20.692 -6.743 3.749 1.00 0.49 C ATOM 2750 CE LYS B 31 20.790 -6.316 5.200 1.00 1.20 C ATOM 2751 NZ LYS B 31 22.202 -6.242 5.658 1.00 1.72 N ATOM 0 H LYS B 31 17.576 -8.797 2.749 1.00 0.27 H new ATOM 0 HA LYS B 31 17.165 -6.436 1.482 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.725 -8.092 1.627 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.678 -6.382 1.247 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.738 -5.896 3.479 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.729 -7.606 3.861 1.00 0.40 H new ATOM 0 HD2 LYS B 31 21.180 -7.709 3.620 1.00 0.49 H new ATOM 0 HD3 LYS B 31 21.228 -6.029 3.123 1.00 0.49 H new ATOM 0 HE2 LYS B 31 20.315 -5.343 5.326 1.00 1.20 H new ATOM 0 HE3 LYS B 31 20.241 -7.021 5.825 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 22.229 -5.947 6.655 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 22.648 -7.177 5.562 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 22.719 -5.551 5.078 1.00 1.72 H new ATOM 2765 N SER B 32 18.299 -8.681 -0.669 1.00 0.25 N ATOM 2766 CA SER B 32 18.537 -8.952 -2.080 1.00 0.27 C ATOM 2767 C SER B 32 17.234 -8.958 -2.876 1.00 0.24 C ATOM 2768 O SER B 32 17.171 -8.408 -3.982 1.00 0.27 O ATOM 2769 CB SER B 32 19.256 -10.294 -2.234 1.00 0.35 C ATOM 2770 OG SER B 32 19.636 -10.526 -3.577 1.00 1.27 O ATOM 0 H SER B 32 18.527 -9.458 -0.049 1.00 0.25 H new ATOM 0 HA SER B 32 19.165 -8.155 -2.478 1.00 0.27 H new ATOM 0 HB2 SER B 32 20.140 -10.310 -1.596 1.00 0.35 H new ATOM 0 HB3 SER B 32 18.604 -11.099 -1.895 1.00 0.35 H new ATOM 0 HG SER B 32 19.736 -11.489 -3.727 1.00 1.27 H new ATOM 2776 N GLU B 33 16.191 -9.550 -2.300 1.00 0.25 N ATOM 2777 CA GLU B 33 14.919 -9.698 -2.995 1.00 0.27 C ATOM 2778 C GLU B 33 14.281 -8.334 -3.186 1.00 0.24 C ATOM 2779 O GLU B 33 13.816 -7.994 -4.276 1.00 0.26 O ATOM 2780 CB GLU B 33 13.955 -10.602 -2.215 1.00 0.34 C ATOM 2781 CG GLU B 33 14.604 -11.793 -1.527 1.00 0.47 C ATOM 2782 CD GLU B 33 15.477 -12.631 -2.442 1.00 0.83 C ATOM 2783 OE1 GLU B 33 16.689 -12.342 -2.535 1.00 1.65 O ATOM 2784 OE2 GLU B 33 14.968 -13.593 -3.045 1.00 1.43 O ATOM 0 H GLU B 33 16.203 -9.934 -1.355 1.00 0.25 H new ATOM 0 HA GLU B 33 15.116 -10.161 -3.962 1.00 0.27 H new ATOM 0 HB2 GLU B 33 13.445 -10.000 -1.462 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.191 -10.969 -2.900 1.00 0.34 H new ATOM 0 HG2 GLU B 33 15.208 -11.434 -0.694 1.00 0.47 H new ATOM 0 HG3 GLU B 33 13.823 -12.426 -1.106 1.00 0.47 H new ATOM 2791 N LEU B 34 14.283 -7.547 -2.117 1.00 0.21 N ATOM 2792 CA LEU B 34 13.721 -6.211 -2.156 1.00 0.21 C ATOM 2793 C LEU B 34 14.500 -5.312 -3.100 1.00 0.20 C ATOM 2794 O LEU B 34 13.911 -4.509 -3.818 1.00 0.24 O ATOM 2795 CB LEU B 34 13.689 -5.600 -0.759 1.00 0.21 C ATOM 2796 CG LEU B 34 12.457 -5.951 0.067 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.632 -5.488 1.502 1.00 0.24 C ATOM 2798 CD2 LEU B 34 11.222 -5.316 -0.552 1.00 0.21 C ATOM 0 H LEU B 34 14.670 -7.816 -1.212 1.00 0.21 H new ATOM 0 HA LEU B 34 12.700 -6.294 -2.529 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.577 -5.924 -0.216 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.750 -4.516 -0.851 1.00 0.21 H new ATOM 0 HG LEU B 34 12.331 -7.034 0.071 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.744 -5.746 2.078 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.503 -5.977 1.939 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.775 -4.408 1.521 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.345 -5.571 0.043 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.343 -4.233 -0.575 1.00 0.21 H new ATOM 0 HD23 LEU B 34 11.092 -5.689 -1.568 1.00 0.21 H new ATOM 2810 N LYS B 35 15.819 -5.449 -3.114 1.00 0.21 N ATOM 2811 CA LYS B 35 16.636 -4.628 -3.987 1.00 0.26 C ATOM 2812 C LYS B 35 16.268 -4.876 -5.439 1.00 0.22 C ATOM 2813 O LYS B 35 16.017 -3.935 -6.178 1.00 0.24 O ATOM 2814 CB LYS B 35 18.133 -4.858 -3.765 1.00 0.37 C ATOM 2815 CG LYS B 35 18.984 -3.769 -4.402 1.00 0.54 C ATOM 2816 CD LYS B 35 20.381 -3.703 -3.805 1.00 0.68 C ATOM 2817 CE LYS B 35 21.249 -4.857 -4.268 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.610 -4.797 -3.675 1.00 0.95 N ATOM 0 H LYS B 35 16.337 -6.112 -2.538 1.00 0.21 H new ATOM 0 HA LYS B 35 16.432 -3.586 -3.739 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.338 -4.897 -2.695 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.415 -5.826 -4.179 1.00 0.37 H new ATOM 0 HG2 LYS B 35 19.058 -3.950 -5.474 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.491 -2.805 -4.275 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.851 -2.760 -4.085 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.312 -3.714 -2.717 1.00 0.68 H new ATOM 0 HE2 LYS B 35 20.775 -5.800 -3.996 1.00 0.61 H new ATOM 0 HE3 LYS B 35 21.325 -4.841 -5.355 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 23.173 -5.602 -4.016 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 23.072 -3.908 -3.955 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 22.539 -4.838 -2.638 1.00 0.95 H new ATOM 2832 N GLU B 36 16.199 -6.138 -5.842 1.00 0.22 N ATOM 2833 CA GLU B 36 15.784 -6.457 -7.203 1.00 0.24 C ATOM 2834 C GLU B 36 14.367 -5.963 -7.466 1.00 0.25 C ATOM 2835 O GLU B 36 14.075 -5.448 -8.542 1.00 0.32 O ATOM 2836 CB GLU B 36 15.864 -7.948 -7.482 1.00 0.28 C ATOM 2837 CG GLU B 36 17.070 -8.336 -8.310 1.00 0.65 C ATOM 2838 CD GLU B 36 16.987 -9.745 -8.846 1.00 0.77 C ATOM 2839 OE1 GLU B 36 16.370 -9.938 -9.912 1.00 1.30 O ATOM 2840 OE2 GLU B 36 17.551 -10.664 -8.224 1.00 1.48 O ATOM 0 H GLU B 36 16.420 -6.945 -5.259 1.00 0.22 H new ATOM 0 HA GLU B 36 16.474 -5.946 -7.875 1.00 0.24 H new ATOM 0 HB2 GLU B 36 15.893 -8.487 -6.535 1.00 0.28 H new ATOM 0 HB3 GLU B 36 14.959 -8.263 -8.001 1.00 0.28 H new ATOM 0 HG2 GLU B 36 17.171 -7.641 -9.144 1.00 0.65 H new ATOM 0 HG3 GLU B 36 17.969 -8.237 -7.702 1.00 0.65 H new ATOM 2847 N LEU B 37 13.500 -6.118 -6.472 1.00 0.23 N ATOM 2848 CA LEU B 37 12.135 -5.614 -6.550 1.00 0.26 C ATOM 2849 C LEU B 37 12.139 -4.139 -6.944 1.00 0.22 C ATOM 2850 O LEU B 37 11.588 -3.749 -7.977 1.00 0.22 O ATOM 2851 CB LEU B 37 11.454 -5.762 -5.189 1.00 0.32 C ATOM 2852 CG LEU B 37 9.940 -5.570 -5.181 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.238 -6.880 -5.494 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.482 -5.016 -3.843 1.00 0.74 C ATOM 0 H LEU B 37 13.721 -6.592 -5.597 1.00 0.23 H new ATOM 0 HA LEU B 37 11.593 -6.188 -7.302 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.678 -6.754 -4.798 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.897 -5.041 -4.502 1.00 0.32 H new ATOM 0 HG LEU B 37 9.676 -4.849 -5.955 1.00 0.41 H new ATOM 0 HD11 LEU B 37 8.159 -6.726 -5.484 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.546 -7.231 -6.479 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.505 -7.624 -4.744 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.400 -4.885 -3.855 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.755 -5.711 -3.049 1.00 0.74 H new ATOM 0 HD23 LEU B 37 9.962 -4.054 -3.664 1.00 0.74 H new ATOM 2866 N LEU B 38 12.793 -3.332 -6.117 1.00 0.19 N ATOM 2867 CA LEU B 38 12.828 -1.891 -6.307 1.00 0.19 C ATOM 2868 C LEU B 38 13.653 -1.495 -7.534 1.00 0.19 C ATOM 2869 O LEU B 38 13.255 -0.616 -8.282 1.00 0.21 O ATOM 2870 CB LEU B 38 13.362 -1.197 -5.048 1.00 0.19 C ATOM 2871 CG LEU B 38 12.366 -1.084 -3.889 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.821 -1.915 -2.699 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.191 0.371 -3.482 1.00 0.20 C ATOM 0 H LEU B 38 13.311 -3.658 -5.301 1.00 0.19 H new ATOM 0 HA LEU B 38 11.805 -1.559 -6.485 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.240 -1.740 -4.699 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.694 -0.195 -5.319 1.00 0.19 H new ATOM 0 HG LEU B 38 11.405 -1.472 -4.227 1.00 0.19 H new ATOM 0 HD11 LEU B 38 12.097 -1.818 -1.890 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.898 -2.962 -2.994 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.795 -1.562 -2.359 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.481 0.435 -2.658 1.00 0.20 H new ATOM 0 HD22 LEU B 38 13.151 0.778 -3.166 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.815 0.943 -4.330 1.00 0.20 H new ATOM 2885 N THR B 39 14.783 -2.150 -7.759 1.00 0.20 N ATOM 2886 CA THR B 39 15.647 -1.797 -8.888 1.00 0.22 C ATOM 2887 C THR B 39 14.935 -1.993 -10.220 1.00 0.23 C ATOM 2888 O THR B 39 15.144 -1.238 -11.169 1.00 0.27 O ATOM 2889 CB THR B 39 16.945 -2.626 -8.906 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.640 -4.019 -8.824 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.850 -2.246 -7.757 1.00 0.27 C ATOM 0 H THR B 39 15.125 -2.921 -7.185 1.00 0.20 H new ATOM 0 HA THR B 39 15.896 -0.744 -8.754 1.00 0.22 H new ATOM 0 HB THR B 39 17.462 -2.416 -9.843 1.00 0.25 H new ATOM 0 HG1 THR B 39 15.668 -4.139 -8.781 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.758 -2.847 -7.795 1.00 0.27 H new ATOM 0 HG22 THR B 39 18.110 -1.190 -7.833 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.335 -2.426 -6.813 1.00 0.27 H new ATOM 2899 N ARG B 40 14.094 -3.009 -10.282 1.00 0.24 N ATOM 2900 CA ARG B 40 13.406 -3.346 -11.511 1.00 0.27 C ATOM 2901 C ARG B 40 12.125 -2.536 -11.681 1.00 0.27 C ATOM 2902 O ARG B 40 11.992 -1.774 -12.638 1.00 0.30 O ATOM 2903 CB ARG B 40 13.083 -4.836 -11.530 1.00 0.31 C ATOM 2904 CG ARG B 40 14.306 -5.733 -11.655 1.00 0.34 C ATOM 2905 CD ARG B 40 15.119 -5.414 -12.897 1.00 0.44 C ATOM 2906 NE ARG B 40 14.314 -5.465 -14.118 1.00 0.64 N ATOM 2907 CZ ARG B 40 14.762 -5.928 -15.283 1.00 0.87 C ATOM 2908 NH1 ARG B 40 15.981 -6.447 -15.374 1.00 1.22 N ATOM 2909 NH2 ARG B 40 13.981 -5.887 -16.356 1.00 1.06 N ATOM 0 H ARG B 40 13.872 -3.616 -9.493 1.00 0.24 H new ATOM 0 HA ARG B 40 14.067 -3.101 -12.342 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.549 -5.093 -10.615 1.00 0.31 H new ATOM 0 HB3 ARG B 40 12.409 -5.041 -12.362 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.933 -5.617 -10.771 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.990 -6.776 -11.686 1.00 0.34 H new ATOM 0 HD2 ARG B 40 15.558 -4.422 -12.796 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.944 -6.121 -12.979 1.00 0.44 H new ATOM 0 HE ARG B 40 13.353 -5.126 -14.074 1.00 0.64 H new ATOM 0 HH11 ARG B 40 16.579 -6.492 -14.549 1.00 1.22 H new ATOM 0 HH12 ARG B 40 16.319 -6.800 -16.269 1.00 1.22 H new ATOM 0 HH21 ARG B 40 13.039 -5.501 -16.287 1.00 1.06 H new ATOM 0 HH22 ARG B 40 14.323 -6.241 -17.249 1.00 1.06 H new ATOM 2923 N GLU B 41 11.186 -2.697 -10.757 1.00 0.27 N ATOM 2924 CA GLU B 41 9.863 -2.110 -10.922 1.00 0.30 C ATOM 2925 C GLU B 41 9.663 -0.826 -10.117 1.00 0.34 C ATOM 2926 O GLU B 41 8.677 -0.132 -10.322 1.00 0.46 O ATOM 2927 CB GLU B 41 8.779 -3.137 -10.589 1.00 0.36 C ATOM 2928 CG GLU B 41 8.419 -4.023 -11.773 1.00 0.45 C ATOM 2929 CD GLU B 41 7.546 -5.204 -11.394 1.00 0.83 C ATOM 2930 OE1 GLU B 41 6.432 -4.989 -10.876 1.00 1.59 O ATOM 2931 OE2 GLU B 41 7.972 -6.358 -11.623 1.00 1.54 O ATOM 0 H GLU B 41 11.314 -3.224 -9.893 1.00 0.27 H new ATOM 0 HA GLU B 41 9.779 -1.824 -11.970 1.00 0.30 H new ATOM 0 HB2 GLU B 41 9.119 -3.763 -9.764 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.885 -2.616 -10.246 1.00 0.36 H new ATOM 0 HG2 GLU B 41 7.902 -3.424 -12.523 1.00 0.45 H new ATOM 0 HG3 GLU B 41 9.335 -4.391 -12.235 1.00 0.45 H new ATOM 2938 N LEU B 42 10.586 -0.485 -9.224 1.00 0.27 N ATOM 2939 CA LEU B 42 10.438 0.747 -8.438 1.00 0.28 C ATOM 2940 C LEU B 42 11.664 1.669 -8.534 1.00 0.27 C ATOM 2941 O LEU B 42 12.032 2.288 -7.535 1.00 0.26 O ATOM 2942 CB LEU B 42 10.199 0.425 -6.954 1.00 0.27 C ATOM 2943 CG LEU B 42 8.953 -0.399 -6.622 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.211 -1.877 -6.829 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.513 -0.137 -5.193 1.00 0.32 C ATOM 0 H LEU B 42 11.428 -1.026 -9.025 1.00 0.27 H new ATOM 0 HA LEU B 42 9.579 1.266 -8.863 1.00 0.28 H new ATOM 0 HB2 LEU B 42 11.071 -0.110 -6.577 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.141 1.366 -6.407 1.00 0.27 H new ATOM 0 HG LEU B 42 8.154 -0.094 -7.298 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.310 -2.441 -6.586 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.483 -2.057 -7.869 1.00 0.26 H new ATOM 0 HD13 LEU B 42 10.026 -2.198 -6.181 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.626 -0.730 -4.971 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.315 -0.414 -4.509 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.282 0.921 -5.072 1.00 0.32 H new ATOM 2957 N PRO B 43 12.296 1.841 -9.717 1.00 0.31 N ATOM 2958 CA PRO B 43 13.551 2.586 -9.806 1.00 0.33 C ATOM 2959 C PRO B 43 13.330 4.082 -9.608 1.00 0.33 C ATOM 2960 O PRO B 43 14.244 4.820 -9.239 1.00 0.36 O ATOM 2961 CB PRO B 43 14.064 2.307 -11.220 1.00 0.41 C ATOM 2962 CG PRO B 43 13.126 1.306 -11.819 1.00 0.51 C ATOM 2963 CD PRO B 43 11.846 1.398 -11.043 1.00 0.35 C ATOM 0 HA PRO B 43 14.256 2.281 -9.032 1.00 0.33 H new ATOM 0 HB2 PRO B 43 14.087 3.222 -11.813 1.00 0.41 H new ATOM 0 HB3 PRO B 43 15.082 1.919 -11.194 1.00 0.41 H new ATOM 0 HG2 PRO B 43 12.955 1.519 -12.874 1.00 0.51 H new ATOM 0 HG3 PRO B 43 13.543 0.301 -11.760 1.00 0.51 H new ATOM 0 HD2 PRO B 43 11.152 2.108 -11.492 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.333 0.438 -10.995 1.00 0.35 H new ATOM 2971 N SER B 44 12.100 4.516 -9.854 1.00 0.36 N ATOM 2972 CA SER B 44 11.718 5.904 -9.666 1.00 0.39 C ATOM 2973 C SER B 44 11.671 6.247 -8.183 1.00 0.35 C ATOM 2974 O SER B 44 12.066 7.335 -7.773 1.00 0.40 O ATOM 2975 CB SER B 44 10.350 6.148 -10.294 1.00 0.46 C ATOM 2976 OG SER B 44 10.320 5.680 -11.631 1.00 1.09 O ATOM 0 H SER B 44 11.345 3.917 -10.188 1.00 0.36 H new ATOM 0 HA SER B 44 12.460 6.541 -10.148 1.00 0.39 H new ATOM 0 HB2 SER B 44 9.581 5.643 -9.710 1.00 0.46 H new ATOM 0 HB3 SER B 44 10.119 7.213 -10.271 1.00 0.46 H new ATOM 0 HG SER B 44 9.394 5.495 -11.892 1.00 1.09 H new ATOM 2982 N PHE B 45 11.193 5.294 -7.387 1.00 0.30 N ATOM 2983 CA PHE B 45 11.039 5.474 -5.949 1.00 0.28 C ATOM 2984 C PHE B 45 12.338 5.182 -5.228 1.00 0.28 C ATOM 2985 O PHE B 45 12.336 4.894 -4.045 1.00 0.27 O ATOM 2986 CB PHE B 45 9.953 4.540 -5.408 1.00 0.31 C ATOM 2987 CG PHE B 45 8.717 4.477 -6.253 1.00 0.28 C ATOM 2988 CD1 PHE B 45 7.771 5.483 -6.202 1.00 1.17 C ATOM 2989 CD2 PHE B 45 8.502 3.398 -7.092 1.00 1.28 C ATOM 2990 CE1 PHE B 45 6.630 5.413 -6.977 1.00 1.18 C ATOM 2991 CE2 PHE B 45 7.366 3.322 -7.867 1.00 1.34 C ATOM 2992 CZ PHE B 45 6.427 4.330 -7.809 1.00 0.47 C ATOM 0 H PHE B 45 10.902 4.376 -7.722 1.00 0.30 H new ATOM 0 HA PHE B 45 10.754 6.511 -5.773 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.367 3.536 -5.315 1.00 0.31 H new ATOM 0 HB3 PHE B 45 9.677 4.865 -4.405 1.00 0.31 H new ATOM 0 HD1 PHE B 45 7.925 6.331 -5.551 1.00 1.17 H new ATOM 0 HD2 PHE B 45 9.234 2.605 -7.140 1.00 1.28 H new ATOM 0 HE1 PHE B 45 5.897 6.205 -6.932 1.00 1.18 H new ATOM 0 HE2 PHE B 45 7.211 2.475 -8.519 1.00 1.34 H new ATOM 0 HZ PHE B 45 5.534 4.272 -8.414 1.00 0.47 H new ATOM 3002 N LEU B 46 13.447 5.252 -5.930 1.00 0.32 N ATOM 3003 CA LEU B 46 14.730 5.089 -5.282 1.00 0.33 C ATOM 3004 C LEU B 46 15.306 6.453 -4.925 1.00 0.39 C ATOM 3005 O LEU B 46 16.036 6.593 -3.950 1.00 0.47 O ATOM 3006 CB LEU B 46 15.691 4.297 -6.176 1.00 0.35 C ATOM 3007 CG LEU B 46 15.180 2.911 -6.594 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.293 2.096 -7.234 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.586 2.175 -5.402 1.00 0.30 C ATOM 0 H LEU B 46 13.488 5.418 -6.936 1.00 0.32 H new ATOM 0 HA LEU B 46 14.594 4.521 -4.362 1.00 0.33 H new ATOM 0 HB2 LEU B 46 15.895 4.880 -7.074 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.639 4.177 -5.651 1.00 0.35 H new ATOM 0 HG LEU B 46 14.393 3.047 -7.335 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.908 1.118 -7.522 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.662 2.616 -8.118 1.00 0.41 H new ATOM 0 HD13 LEU B 46 17.108 1.970 -6.521 1.00 0.41 H new ATOM 0 HD21 LEU B 46 14.230 1.195 -5.720 1.00 0.30 H new ATOM 0 HD22 LEU B 46 15.349 2.052 -4.633 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.753 2.750 -4.998 1.00 0.30 H new ATOM 3021 N GLY B 47 14.926 7.463 -5.704 1.00 0.41 N ATOM 3022 CA GLY B 47 15.421 8.829 -5.528 1.00 0.49 C ATOM 3023 C GLY B 47 16.916 8.980 -5.770 1.00 0.53 C ATOM 3024 O GLY B 47 17.367 10.000 -6.291 1.00 0.60 O ATOM 0 H GLY B 47 14.267 7.359 -6.475 1.00 0.41 H new ATOM 0 HA2 GLY B 47 14.884 9.490 -6.209 1.00 0.49 H new ATOM 0 HA3 GLY B 47 15.192 9.160 -4.515 1.00 0.49 H new ATOM 3028 N LYS B 48 17.671 7.963 -5.417 1.00 0.54 N ATOM 3029 CA LYS B 48 19.093 7.911 -5.686 1.00 0.67 C ATOM 3030 C LYS B 48 19.438 6.546 -6.268 1.00 0.70 C ATOM 3031 O LYS B 48 19.531 6.384 -7.486 1.00 1.18 O ATOM 3032 CB LYS B 48 19.886 8.155 -4.393 1.00 0.82 C ATOM 3033 CG LYS B 48 21.390 7.972 -4.544 1.00 1.41 C ATOM 3034 CD LYS B 48 22.064 7.786 -3.194 1.00 2.04 C ATOM 3035 CE LYS B 48 23.539 7.459 -3.349 1.00 2.61 C ATOM 3036 NZ LYS B 48 24.160 7.064 -2.057 1.00 3.21 N ATOM 0 H LYS B 48 17.313 7.141 -4.931 1.00 0.54 H new ATOM 0 HA LYS B 48 19.358 8.689 -6.402 1.00 0.67 H new ATOM 0 HB2 LYS B 48 19.687 9.168 -4.043 1.00 0.82 H new ATOM 0 HB3 LYS B 48 19.523 7.474 -3.623 1.00 0.82 H new ATOM 0 HG2 LYS B 48 21.591 7.106 -5.175 1.00 1.41 H new ATOM 0 HG3 LYS B 48 21.815 8.840 -5.048 1.00 1.41 H new ATOM 0 HD2 LYS B 48 21.952 8.694 -2.602 1.00 2.04 H new ATOM 0 HD3 LYS B 48 21.568 6.985 -2.646 1.00 2.04 H new ATOM 0 HE2 LYS B 48 23.657 6.651 -4.070 1.00 2.61 H new ATOM 0 HE3 LYS B 48 24.062 8.326 -3.753 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 25.054 6.566 -2.240 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 24.347 7.914 -1.488 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 23.513 6.436 -1.539 1.00 3.21 H new ATOM 3050 N ARG B 49 19.560 5.567 -5.382 1.00 0.54 N ATOM 3051 CA ARG B 49 19.918 4.203 -5.743 1.00 0.54 C ATOM 3052 C ARG B 49 20.160 3.412 -4.468 1.00 0.51 C ATOM 3053 O ARG B 49 20.500 3.984 -3.435 1.00 0.55 O ATOM 3054 CB ARG B 49 21.170 4.162 -6.631 1.00 0.66 C ATOM 3055 CG ARG B 49 21.378 2.824 -7.325 1.00 0.74 C ATOM 3056 CD ARG B 49 20.114 2.395 -8.051 1.00 0.73 C ATOM 3057 NE ARG B 49 20.305 1.202 -8.867 1.00 1.28 N ATOM 3058 CZ ARG B 49 19.589 0.937 -9.962 1.00 1.46 C ATOM 3059 NH1 ARG B 49 18.680 1.804 -10.393 1.00 1.43 N ATOM 3060 NH2 ARG B 49 19.790 -0.189 -10.629 1.00 2.26 N ATOM 0 H ARG B 49 19.411 5.699 -4.382 1.00 0.54 H new ATOM 0 HA ARG B 49 19.099 3.765 -6.314 1.00 0.54 H new ATOM 0 HB2 ARG B 49 21.097 4.946 -7.385 1.00 0.66 H new ATOM 0 HB3 ARG B 49 22.046 4.386 -6.022 1.00 0.66 H new ATOM 0 HG2 ARG B 49 22.203 2.900 -8.034 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.657 2.067 -6.592 1.00 0.74 H new ATOM 0 HD2 ARG B 49 19.327 2.207 -7.320 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.771 3.212 -8.686 1.00 0.73 H new ATOM 0 HE ARG B 49 21.024 0.535 -8.586 1.00 1.28 H new ATOM 0 HH11 ARG B 49 18.527 2.676 -9.887 1.00 1.43 H new ATOM 0 HH12 ARG B 49 18.135 1.598 -11.230 1.00 1.43 H new ATOM 0 HH21 ARG B 49 20.492 -0.855 -10.306 1.00 2.26 H new ATOM 0 HH22 ARG B 49 19.243 -0.391 -11.466 1.00 2.26 H new ATOM 3074 N THR B 50 19.972 2.108 -4.541 1.00 0.51 N ATOM 3075 CA THR B 50 20.122 1.251 -3.385 1.00 0.51 C ATOM 3076 C THR B 50 21.594 0.964 -3.086 1.00 0.61 C ATOM 3077 O THR B 50 22.222 0.140 -3.749 1.00 0.82 O ATOM 3078 CB THR B 50 19.369 -0.067 -3.611 1.00 0.57 C ATOM 3079 OG1 THR B 50 19.671 -0.575 -4.918 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.866 0.141 -3.476 1.00 0.57 C ATOM 0 H THR B 50 19.713 1.618 -5.397 1.00 0.51 H new ATOM 0 HA THR B 50 19.700 1.771 -2.525 1.00 0.51 H new ATOM 0 HB THR B 50 19.688 -0.785 -2.855 1.00 0.57 H new ATOM 0 HG1 THR B 50 20.643 -0.634 -5.030 1.00 0.69 H new ATOM 0 HG21 THR B 50 17.351 -0.806 -3.640 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.638 0.509 -2.476 1.00 0.57 H new ATOM 0 HG23 THR B 50 17.531 0.869 -4.216 1.00 0.57 H new ATOM 3088 N ASP B 51 22.143 1.666 -2.098 1.00 0.58 N ATOM 3089 CA ASP B 51 23.523 1.440 -1.681 1.00 0.72 C ATOM 3090 C ASP B 51 23.606 0.185 -0.836 1.00 0.60 C ATOM 3091 O ASP B 51 22.589 -0.421 -0.503 1.00 0.58 O ATOM 3092 CB ASP B 51 24.073 2.603 -0.850 1.00 0.91 C ATOM 3093 CG ASP B 51 23.882 3.959 -1.496 1.00 1.35 C ATOM 3094 OD1 ASP B 51 24.589 4.258 -2.478 1.00 1.91 O ATOM 3095 OD2 ASP B 51 23.050 4.748 -1.003 1.00 1.98 O ATOM 0 H ASP B 51 21.656 2.393 -1.574 1.00 0.58 H new ATOM 0 HA ASP B 51 24.117 1.344 -2.590 1.00 0.72 H new ATOM 0 HB2 ASP B 51 23.585 2.603 0.125 1.00 0.91 H new ATOM 0 HB3 ASP B 51 25.137 2.441 -0.674 1.00 0.91 H new ATOM 3100 N GLU B 52 24.814 -0.189 -0.466 1.00 0.68 N ATOM 3101 CA GLU B 52 25.016 -1.331 0.399 1.00 0.66 C ATOM 3102 C GLU B 52 24.853 -0.927 1.863 1.00 0.55 C ATOM 3103 O GLU B 52 24.100 -1.554 2.608 1.00 0.50 O ATOM 3104 CB GLU B 52 26.395 -1.937 0.163 1.00 0.83 C ATOM 3105 CG GLU B 52 26.626 -3.206 0.953 1.00 1.57 C ATOM 3106 CD GLU B 52 25.600 -4.279 0.642 1.00 2.22 C ATOM 3107 OE1 GLU B 52 25.416 -4.609 -0.548 1.00 2.89 O ATOM 3108 OE2 GLU B 52 24.958 -4.784 1.587 1.00 2.79 O ATOM 0 H GLU B 52 25.672 0.283 -0.752 1.00 0.68 H new ATOM 0 HA GLU B 52 24.262 -2.083 0.163 1.00 0.66 H new ATOM 0 HB2 GLU B 52 26.515 -2.150 -0.899 1.00 0.83 H new ATOM 0 HB3 GLU B 52 27.158 -1.206 0.430 1.00 0.83 H new ATOM 0 HG2 GLU B 52 27.624 -3.588 0.737 1.00 1.57 H new ATOM 0 HG3 GLU B 52 26.596 -2.977 2.018 1.00 1.57 H new ATOM 3115 N ALA B 53 25.538 0.142 2.264 1.00 0.58 N ATOM 3116 CA ALA B 53 25.476 0.617 3.642 1.00 0.58 C ATOM 3117 C ALA B 53 24.126 1.260 3.934 1.00 0.53 C ATOM 3118 O ALA B 53 23.769 1.497 5.084 1.00 0.58 O ATOM 3119 CB ALA B 53 26.606 1.597 3.922 1.00 0.70 C ATOM 0 H ALA B 53 26.141 0.694 1.654 1.00 0.58 H new ATOM 0 HA ALA B 53 25.593 -0.242 4.302 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.543 1.940 4.955 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.564 1.103 3.762 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.522 2.451 3.250 1.00 0.70 H new ATOM 3125 N ALA B 54 23.387 1.559 2.881 1.00 0.52 N ATOM 3126 CA ALA B 54 22.038 2.069 3.030 1.00 0.51 C ATOM 3127 C ALA B 54 21.033 0.943 3.043 1.00 0.39 C ATOM 3128 O ALA B 54 19.955 1.075 3.603 1.00 0.35 O ATOM 3129 CB ALA B 54 21.685 3.006 1.911 1.00 0.63 C ATOM 0 H ALA B 54 23.698 1.457 1.915 1.00 0.52 H new ATOM 0 HA ALA B 54 22.005 2.605 3.979 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.668 3.372 2.050 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.377 3.848 1.910 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.754 2.479 0.960 1.00 0.63 H new ATOM 3135 N PHE B 55 21.358 -0.153 2.384 1.00 0.38 N ATOM 3136 CA PHE B 55 20.435 -1.275 2.329 1.00 0.32 C ATOM 3137 C PHE B 55 20.370 -2.009 3.665 1.00 0.31 C ATOM 3138 O PHE B 55 19.336 -2.591 4.003 1.00 0.31 O ATOM 3139 CB PHE B 55 20.770 -2.246 1.205 1.00 0.41 C ATOM 3140 CG PHE B 55 19.528 -2.749 0.536 1.00 0.36 C ATOM 3141 CD1 PHE B 55 18.698 -3.648 1.179 1.00 1.25 C ATOM 3142 CD2 PHE B 55 19.168 -2.285 -0.715 1.00 1.23 C ATOM 3143 CE1 PHE B 55 17.534 -4.085 0.583 1.00 1.22 C ATOM 3144 CE2 PHE B 55 18.002 -2.712 -1.313 1.00 1.30 C ATOM 3145 CZ PHE B 55 17.184 -3.615 -0.664 1.00 0.46 C ATOM 0 H PHE B 55 22.238 -0.292 1.887 1.00 0.38 H new ATOM 0 HA PHE B 55 19.452 -0.855 2.117 1.00 0.32 H new ATOM 0 HB2 PHE B 55 21.407 -1.752 0.471 1.00 0.41 H new ATOM 0 HB3 PHE B 55 21.337 -3.087 1.604 1.00 0.41 H new ATOM 0 HD1 PHE B 55 18.964 -4.013 2.160 1.00 1.25 H new ATOM 0 HD2 PHE B 55 19.806 -1.581 -1.229 1.00 1.23 H new ATOM 0 HE1 PHE B 55 16.898 -4.794 1.092 1.00 1.22 H new ATOM 0 HE2 PHE B 55 17.728 -2.340 -2.289 1.00 1.30 H new ATOM 0 HZ PHE B 55 16.271 -3.952 -1.133 1.00 0.46 H new ATOM 3155 N GLN B 56 21.459 -1.984 4.429 1.00 0.35 N ATOM 3156 CA GLN B 56 21.412 -2.486 5.798 1.00 0.41 C ATOM 3157 C GLN B 56 20.449 -1.625 6.606 1.00 0.42 C ATOM 3158 O GLN B 56 19.801 -2.095 7.542 1.00 0.52 O ATOM 3159 CB GLN B 56 22.803 -2.501 6.444 1.00 0.51 C ATOM 3160 CG GLN B 56 23.488 -1.148 6.481 1.00 0.53 C ATOM 3161 CD GLN B 56 24.733 -1.145 7.346 1.00 0.69 C ATOM 3162 OE1 GLN B 56 24.673 -0.838 8.537 1.00 1.15 O ATOM 3163 NE2 GLN B 56 25.865 -1.503 6.765 1.00 1.53 N ATOM 0 H GLN B 56 22.368 -1.629 4.131 1.00 0.35 H new ATOM 0 HA GLN B 56 21.060 -3.517 5.783 1.00 0.41 H new ATOM 0 HB2 GLN B 56 22.714 -2.878 7.463 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.436 -3.201 5.899 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.755 -0.853 5.466 1.00 0.53 H new ATOM 0 HG3 GLN B 56 22.788 -0.401 6.856 1.00 0.53 H new ATOM 0 HE21 GLN B 56 25.874 -1.750 5.776 1.00 1.53 H new ATOM 0 HE22 GLN B 56 26.729 -1.532 7.306 1.00 1.53 H new ATOM 3172 N LYS B 57 20.352 -0.361 6.208 1.00 0.36 N ATOM 3173 CA LYS B 57 19.362 0.549 6.753 1.00 0.39 C ATOM 3174 C LYS B 57 17.983 0.192 6.209 1.00 0.34 C ATOM 3175 O LYS B 57 17.045 0.003 6.966 1.00 0.41 O ATOM 3176 CB LYS B 57 19.704 2.000 6.389 1.00 0.44 C ATOM 3177 CG LYS B 57 20.980 2.512 7.029 1.00 0.54 C ATOM 3178 CD LYS B 57 21.348 3.887 6.497 1.00 0.61 C ATOM 3179 CE LYS B 57 22.533 4.476 7.241 1.00 0.79 C ATOM 3180 NZ LYS B 57 22.246 4.671 8.686 1.00 1.27 N ATOM 0 H LYS B 57 20.957 0.056 5.501 1.00 0.36 H new ATOM 0 HA LYS B 57 19.361 0.455 7.839 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.795 2.080 5.306 1.00 0.44 H new ATOM 0 HB3 LYS B 57 18.876 2.643 6.688 1.00 0.44 H new ATOM 0 HG2 LYS B 57 20.854 2.559 8.111 1.00 0.54 H new ATOM 0 HG3 LYS B 57 21.794 1.814 6.833 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.583 3.816 5.435 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.491 4.555 6.589 1.00 0.61 H new ATOM 0 HE2 LYS B 57 23.394 3.818 7.129 1.00 0.79 H new ATOM 0 HE3 LYS B 57 22.802 5.433 6.793 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 22.984 5.269 9.109 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 21.321 5.133 8.797 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 22.232 3.748 9.165 1.00 1.27 H new ATOM 3194 N LEU B 58 17.896 0.072 4.886 1.00 0.27 N ATOM 3195 CA LEU B 58 16.635 -0.182 4.193 1.00 0.25 C ATOM 3196 C LEU B 58 15.907 -1.393 4.755 1.00 0.24 C ATOM 3197 O LEU B 58 14.783 -1.281 5.240 1.00 0.26 O ATOM 3198 CB LEU B 58 16.878 -0.385 2.694 1.00 0.22 C ATOM 3199 CG LEU B 58 15.603 -0.521 1.869 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.778 0.731 2.001 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.906 -0.777 0.409 1.00 0.23 C ATOM 0 H LEU B 58 18.700 0.148 4.263 1.00 0.27 H new ATOM 0 HA LEU B 58 16.005 0.694 4.349 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.456 0.457 2.313 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.486 -1.279 2.553 1.00 0.22 H new ATOM 0 HG LEU B 58 15.047 -1.377 2.252 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.867 0.631 1.410 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.516 0.886 3.048 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.352 1.585 1.641 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.972 -0.868 -0.146 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.487 0.053 0.007 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.477 -1.700 0.312 1.00 0.23 H new ATOM 3213 N MET B 59 16.557 -2.543 4.678 1.00 0.24 N ATOM 3214 CA MET B 59 15.991 -3.789 5.178 1.00 0.27 C ATOM 3215 C MET B 59 15.489 -3.638 6.609 1.00 0.34 C ATOM 3216 O MET B 59 14.367 -4.022 6.922 1.00 0.41 O ATOM 3217 CB MET B 59 17.042 -4.901 5.089 1.00 0.28 C ATOM 3218 CG MET B 59 16.737 -6.143 5.917 1.00 0.30 C ATOM 3219 SD MET B 59 15.069 -6.783 5.687 1.00 0.31 S ATOM 3220 CE MET B 59 14.969 -6.881 3.910 1.00 0.25 C ATOM 0 H MET B 59 17.487 -2.641 4.270 1.00 0.24 H new ATOM 0 HA MET B 59 15.133 -4.052 4.559 1.00 0.27 H new ATOM 0 HB2 MET B 59 17.149 -5.196 4.045 1.00 0.28 H new ATOM 0 HB3 MET B 59 18.003 -4.498 5.407 1.00 0.28 H new ATOM 0 HG2 MET B 59 17.453 -6.923 5.661 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.884 -5.910 6.972 1.00 0.30 H new ATOM 0 HE1 MET B 59 14.273 -7.671 3.628 1.00 0.25 H new ATOM 0 HE2 MET B 59 14.618 -5.929 3.512 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.955 -7.104 3.502 1.00 0.25 H new ATOM 3230 N SER B 60 16.299 -3.035 7.457 1.00 0.39 N ATOM 3231 CA SER B 60 15.974 -2.928 8.866 1.00 0.51 C ATOM 3232 C SER B 60 15.068 -1.723 9.138 1.00 0.44 C ATOM 3233 O SER B 60 14.634 -1.505 10.271 1.00 0.51 O ATOM 3234 CB SER B 60 17.266 -2.849 9.672 1.00 0.70 C ATOM 3235 OG SER B 60 17.019 -2.870 11.070 1.00 1.36 O ATOM 0 H SER B 60 17.189 -2.611 7.194 1.00 0.39 H new ATOM 0 HA SER B 60 15.418 -3.814 9.174 1.00 0.51 H new ATOM 0 HB2 SER B 60 17.912 -3.685 9.405 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.801 -1.936 9.411 1.00 0.70 H new ATOM 0 HG SER B 60 16.116 -2.533 11.248 1.00 1.36 H new ATOM 3241 N ASN B 61 14.784 -0.947 8.101 1.00 0.37 N ATOM 3242 CA ASN B 61 13.843 0.156 8.208 1.00 0.42 C ATOM 3243 C ASN B 61 12.461 -0.344 7.873 1.00 0.44 C ATOM 3244 O ASN B 61 11.467 0.140 8.406 1.00 0.64 O ATOM 3245 CB ASN B 61 14.236 1.324 7.304 1.00 0.46 C ATOM 3246 CG ASN B 61 15.167 2.302 7.996 1.00 0.47 C ATOM 3247 OD1 ASN B 61 15.946 1.927 8.872 1.00 0.96 O ATOM 3248 ND2 ASN B 61 15.086 3.567 7.617 1.00 0.92 N ATOM 0 H ASN B 61 15.194 -1.063 7.174 1.00 0.37 H new ATOM 0 HA ASN B 61 13.857 0.532 9.231 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.720 0.939 6.407 1.00 0.46 H new ATOM 0 HB3 ASN B 61 13.337 1.849 6.981 1.00 0.46 H new ATOM 0 HD21 ASN B 61 15.682 4.270 8.055 1.00 0.92 H new ATOM 0 HD22 ASN B 61 14.428 3.840 6.887 1.00 0.92 H new ATOM 3255 N LEU B 62 12.407 -1.332 6.999 1.00 0.33 N ATOM 3256 CA LEU B 62 11.168 -2.027 6.736 1.00 0.39 C ATOM 3257 C LEU B 62 10.932 -3.060 7.813 1.00 0.54 C ATOM 3258 O LEU B 62 10.056 -2.900 8.659 1.00 1.18 O ATOM 3259 CB LEU B 62 11.191 -2.701 5.365 1.00 0.35 C ATOM 3260 CG LEU B 62 10.832 -1.802 4.186 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.526 -1.074 4.462 1.00 0.24 C ATOM 3262 CD2 LEU B 62 11.949 -0.819 3.882 1.00 0.22 C ATOM 0 H LEU B 62 13.206 -1.668 6.462 1.00 0.33 H new ATOM 0 HA LEU B 62 10.357 -1.298 6.739 1.00 0.39 H new ATOM 0 HB2 LEU B 62 12.187 -3.110 5.197 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.499 -3.543 5.382 1.00 0.35 H new ATOM 0 HG LEU B 62 10.701 -2.429 3.304 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.279 -0.435 3.614 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.729 -1.802 4.612 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.633 -0.463 5.358 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.663 -0.193 3.037 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.129 -0.191 4.755 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.859 -1.367 3.636 1.00 0.22 H new ATOM 3274 N ASP B 63 11.767 -4.090 7.798 1.00 0.31 N ATOM 3275 CA ASP B 63 11.643 -5.211 8.713 1.00 0.33 C ATOM 3276 C ASP B 63 11.837 -4.764 10.155 1.00 0.37 C ATOM 3277 O ASP B 63 12.962 -4.525 10.606 1.00 0.43 O ATOM 3278 CB ASP B 63 12.665 -6.285 8.350 1.00 0.40 C ATOM 3279 CG ASP B 63 12.583 -7.505 9.239 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.511 -7.760 9.827 1.00 1.15 O ATOM 3281 OD2 ASP B 63 13.597 -8.216 9.351 1.00 1.08 O ATOM 0 H ASP B 63 12.550 -4.170 7.149 1.00 0.31 H new ATOM 0 HA ASP B 63 10.638 -5.623 8.622 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.514 -6.587 7.314 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.667 -5.862 8.415 1.00 0.40 H new ATOM 3286 N SER B 64 10.732 -4.639 10.865 1.00 0.43 N ATOM 3287 CA SER B 64 10.762 -4.234 12.254 1.00 0.52 C ATOM 3288 C SER B 64 10.944 -5.451 13.154 1.00 0.58 C ATOM 3289 O SER B 64 11.180 -5.320 14.355 1.00 0.71 O ATOM 3290 CB SER B 64 9.480 -3.479 12.599 1.00 0.67 C ATOM 3291 OG SER B 64 9.274 -2.406 11.690 1.00 1.14 O ATOM 0 H SER B 64 9.797 -4.814 10.498 1.00 0.43 H new ATOM 0 HA SER B 64 11.608 -3.567 12.418 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.630 -4.160 12.565 1.00 0.67 H new ATOM 0 HB3 SER B 64 9.540 -3.094 13.617 1.00 0.67 H new ATOM 0 HG SER B 64 8.377 -2.034 11.820 1.00 1.14 H new ATOM 3297 N ASN B 65 10.849 -6.638 12.558 1.00 0.60 N ATOM 3298 CA ASN B 65 11.111 -7.881 13.279 1.00 0.75 C ATOM 3299 C ASN B 65 12.617 -8.096 13.366 1.00 0.76 C ATOM 3300 O ASN B 65 13.111 -8.830 14.224 1.00 0.91 O ATOM 3301 CB ASN B 65 10.446 -9.066 12.569 1.00 0.89 C ATOM 3302 CG ASN B 65 10.651 -10.389 13.290 1.00 1.52 C ATOM 3303 OD1 ASN B 65 10.727 -10.441 14.518 1.00 1.87 O ATOM 3304 ND2 ASN B 65 10.745 -11.469 12.527 1.00 2.34 N ATOM 0 H ASN B 65 10.593 -6.765 11.579 1.00 0.60 H new ATOM 0 HA ASN B 65 10.692 -7.811 14.283 1.00 0.75 H new ATOM 0 HB2 ASN B 65 9.377 -8.872 12.476 1.00 0.89 H new ATOM 0 HB3 ASN B 65 10.845 -9.145 11.558 1.00 0.89 H new ATOM 0 HD21 ASN B 65 10.885 -12.385 12.954 1.00 2.34 H new ATOM 0 HD22 ASN B 65 10.677 -11.384 11.513 1.00 2.34 H new ATOM 3311 N ARG B 66 13.333 -7.429 12.463 1.00 0.68 N ATOM 3312 CA ARG B 66 14.790 -7.448 12.434 1.00 0.81 C ATOM 3313 C ARG B 66 15.318 -8.861 12.225 1.00 0.88 C ATOM 3314 O ARG B 66 16.148 -9.358 12.987 1.00 1.11 O ATOM 3315 CB ARG B 66 15.361 -6.824 13.708 1.00 1.04 C ATOM 3316 CG ARG B 66 14.998 -5.357 13.850 1.00 1.10 C ATOM 3317 CD ARG B 66 15.507 -4.767 15.152 1.00 1.39 C ATOM 3318 NE ARG B 66 15.186 -3.346 15.257 1.00 2.08 N ATOM 3319 CZ ARG B 66 15.382 -2.611 16.352 1.00 2.77 C ATOM 3320 NH1 ARG B 66 15.862 -3.168 17.459 1.00 2.86 N ATOM 3321 NH2 ARG B 66 15.086 -1.319 16.345 1.00 3.79 N ATOM 0 H ARG B 66 12.915 -6.858 11.728 1.00 0.68 H new ATOM 0 HA ARG B 66 15.121 -6.848 11.586 1.00 0.81 H new ATOM 0 HB2 ARG B 66 14.991 -7.372 14.574 1.00 1.04 H new ATOM 0 HB3 ARG B 66 16.446 -6.928 13.705 1.00 1.04 H new ATOM 0 HG2 ARG B 66 15.414 -4.798 13.012 1.00 1.10 H new ATOM 0 HG3 ARG B 66 13.915 -5.246 13.801 1.00 1.10 H new ATOM 0 HD2 ARG B 66 15.067 -5.304 15.993 1.00 1.39 H new ATOM 0 HD3 ARG B 66 16.587 -4.903 15.217 1.00 1.39 H new ATOM 0 HE ARG B 66 14.786 -2.886 14.439 1.00 2.08 H new ATOM 0 HH11 ARG B 66 16.083 -4.164 17.474 1.00 2.86 H new ATOM 0 HH12 ARG B 66 16.010 -2.600 18.293 1.00 2.86 H new ATOM 0 HH21 ARG B 66 14.708 -0.887 15.502 1.00 3.79 H new ATOM 0 HH22 ARG B 66 15.236 -0.757 17.183 1.00 3.79 H new ATOM 3335 N ASP B 67 14.831 -9.494 11.171 1.00 0.75 N ATOM 3336 CA ASP B 67 15.268 -10.824 10.792 1.00 0.88 C ATOM 3337 C ASP B 67 16.045 -10.709 9.492 1.00 0.77 C ATOM 3338 O ASP B 67 16.808 -11.598 9.120 1.00 0.96 O ATOM 3339 CB ASP B 67 14.064 -11.751 10.610 1.00 1.00 C ATOM 3340 CG ASP B 67 14.414 -13.218 10.782 1.00 1.39 C ATOM 3341 OD1 ASP B 67 15.140 -13.776 9.934 1.00 1.95 O ATOM 3342 OD2 ASP B 67 13.943 -13.823 11.768 1.00 1.93 O ATOM 0 H ASP B 67 14.121 -9.099 10.555 1.00 0.75 H new ATOM 0 HA ASP B 67 15.899 -11.248 11.573 1.00 0.88 H new ATOM 0 HB2 ASP B 67 13.292 -11.480 11.330 1.00 1.00 H new ATOM 0 HB3 ASP B 67 13.641 -11.598 9.617 1.00 1.00 H new ATOM 3347 N ASN B 68 15.823 -9.574 8.819 1.00 0.62 N ATOM 3348 CA ASN B 68 16.507 -9.218 7.577 1.00 0.55 C ATOM 3349 C ASN B 68 15.874 -9.926 6.390 1.00 0.43 C ATOM 3350 O ASN B 68 16.547 -10.277 5.420 1.00 0.57 O ATOM 3351 CB ASN B 68 18.019 -9.485 7.649 1.00 0.77 C ATOM 3352 CG ASN B 68 18.762 -8.448 8.480 1.00 1.30 C ATOM 3353 OD1 ASN B 68 18.095 -7.885 9.481 1.00 1.41 O flip ATOM 3354 ND2 ASN B 68 19.928 -8.156 8.228 1.00 2.22 N flip ATOM 0 H ASN B 68 15.154 -8.869 9.129 1.00 0.62 H new ATOM 0 HA ASN B 68 16.386 -8.144 7.436 1.00 0.55 H new ATOM 0 HB2 ASN B 68 18.189 -10.474 8.074 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.430 -9.497 6.639 1.00 0.77 H new ATOM 0 HD21 ASN B 68 20.411 -8.608 7.451 1.00 2.22 H new ATOM 0 HD22 ASN B 68 20.414 -7.461 8.795 1.00 2.22 H new ATOM 3361 N GLU B 69 14.558 -10.088 6.473 1.00 0.42 N ATOM 3362 CA GLU B 69 13.750 -10.640 5.404 1.00 0.42 C ATOM 3363 C GLU B 69 12.291 -10.289 5.664 1.00 0.39 C ATOM 3364 O GLU B 69 11.647 -10.841 6.556 1.00 0.54 O ATOM 3365 CB GLU B 69 13.957 -12.155 5.259 1.00 0.60 C ATOM 3366 CG GLU B 69 13.955 -12.921 6.570 1.00 1.04 C ATOM 3367 CD GLU B 69 14.166 -14.405 6.361 1.00 1.44 C ATOM 3368 OE1 GLU B 69 15.322 -14.827 6.154 1.00 2.09 O ATOM 3369 OE2 GLU B 69 13.173 -15.160 6.403 1.00 1.84 O ATOM 0 H GLU B 69 14.019 -9.834 7.301 1.00 0.42 H new ATOM 0 HA GLU B 69 14.060 -10.203 4.455 1.00 0.42 H new ATOM 0 HB2 GLU B 69 13.172 -12.556 4.618 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.905 -12.332 4.751 1.00 0.60 H new ATOM 0 HG2 GLU B 69 14.740 -12.531 7.219 1.00 1.04 H new ATOM 0 HG3 GLU B 69 13.007 -12.758 7.083 1.00 1.04 H new ATOM 3376 N VAL B 70 11.795 -9.342 4.886 1.00 0.28 N ATOM 3377 CA VAL B 70 10.501 -8.720 5.121 1.00 0.25 C ATOM 3378 C VAL B 70 9.334 -9.677 4.881 1.00 0.25 C ATOM 3379 O VAL B 70 9.309 -10.419 3.894 1.00 0.33 O ATOM 3380 CB VAL B 70 10.359 -7.457 4.239 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.912 -7.054 4.051 1.00 0.29 C ATOM 3382 CG2 VAL B 70 11.131 -6.306 4.852 1.00 0.30 C ATOM 0 H VAL B 70 12.282 -8.980 4.067 1.00 0.28 H new ATOM 0 HA VAL B 70 10.461 -8.439 6.173 1.00 0.25 H new ATOM 0 HB VAL B 70 10.768 -7.698 3.258 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.861 -6.163 3.425 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.368 -7.867 3.570 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.464 -6.842 5.022 1.00 0.29 H new ATOM 0 HG21 VAL B 70 11.025 -5.421 4.224 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.739 -6.094 5.847 1.00 0.30 H new ATOM 0 HG23 VAL B 70 12.185 -6.574 4.927 1.00 0.30 H new ATOM 3392 N ASP B 71 8.382 -9.645 5.811 1.00 0.25 N ATOM 3393 CA ASP B 71 7.174 -10.463 5.742 1.00 0.29 C ATOM 3394 C ASP B 71 6.064 -9.727 4.993 1.00 0.22 C ATOM 3395 O ASP B 71 6.279 -8.634 4.482 1.00 0.21 O ATOM 3396 CB ASP B 71 6.708 -10.836 7.156 1.00 0.42 C ATOM 3397 CG ASP B 71 6.369 -9.624 8.004 1.00 1.18 C ATOM 3398 OD1 ASP B 71 7.290 -9.061 8.633 1.00 2.06 O ATOM 3399 OD2 ASP B 71 5.179 -9.239 8.052 1.00 1.72 O ATOM 0 H ASP B 71 8.427 -9.048 6.637 1.00 0.25 H new ATOM 0 HA ASP B 71 7.406 -11.377 5.195 1.00 0.29 H new ATOM 0 HB2 ASP B 71 5.832 -11.481 7.086 1.00 0.42 H new ATOM 0 HB3 ASP B 71 7.490 -11.412 7.651 1.00 0.42 H new ATOM 3404 N PHE B 72 4.875 -10.322 4.943 1.00 0.21 N ATOM 3405 CA PHE B 72 3.802 -9.824 4.086 1.00 0.19 C ATOM 3406 C PHE B 72 3.345 -8.409 4.470 1.00 0.15 C ATOM 3407 O PHE B 72 3.412 -7.500 3.645 1.00 0.14 O ATOM 3408 CB PHE B 72 2.614 -10.785 4.105 1.00 0.21 C ATOM 3409 CG PHE B 72 1.744 -10.697 2.880 1.00 0.20 C ATOM 3410 CD1 PHE B 72 1.986 -9.748 1.895 1.00 1.19 C ATOM 3411 CD2 PHE B 72 0.690 -11.575 2.710 1.00 1.18 C ATOM 3412 CE1 PHE B 72 1.190 -9.677 0.770 1.00 1.20 C ATOM 3413 CE2 PHE B 72 -0.107 -11.510 1.585 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.144 -10.560 0.616 1.00 0.32 C ATOM 0 H PHE B 72 4.630 -11.150 5.486 1.00 0.21 H new ATOM 0 HA PHE B 72 4.207 -9.766 3.076 1.00 0.19 H new ATOM 0 HB2 PHE B 72 2.985 -11.805 4.204 1.00 0.21 H new ATOM 0 HB3 PHE B 72 2.007 -10.580 4.987 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.808 -9.057 2.011 1.00 1.19 H new ATOM 0 HD2 PHE B 72 0.488 -12.320 3.466 1.00 1.18 H new ATOM 0 HE1 PHE B 72 1.386 -8.932 0.013 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -0.927 -12.202 1.463 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.480 -10.509 -0.264 1.00 0.32 H new ATOM 3424 N GLN B 73 2.877 -8.211 5.701 1.00 0.15 N ATOM 3425 CA GLN B 73 2.375 -6.892 6.093 1.00 0.14 C ATOM 3426 C GLN B 73 3.504 -5.872 6.061 1.00 0.12 C ATOM 3427 O GLN B 73 3.295 -4.721 5.680 1.00 0.13 O ATOM 3428 CB GLN B 73 1.696 -6.912 7.475 1.00 0.16 C ATOM 3429 CG GLN B 73 1.028 -5.599 7.837 1.00 0.26 C ATOM 3430 CD GLN B 73 0.383 -5.638 9.205 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.156 -6.661 9.628 1.00 0.68 O ATOM 3432 NE2 GLN B 73 0.488 -4.542 9.927 1.00 0.60 N ATOM 0 H GLN B 73 2.834 -8.925 6.428 1.00 0.15 H new ATOM 0 HA GLN B 73 1.611 -6.603 5.371 1.00 0.14 H new ATOM 0 HB2 GLN B 73 0.951 -7.708 7.494 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.440 -7.154 8.234 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.767 -4.799 7.810 1.00 0.26 H new ATOM 0 HG3 GLN B 73 0.272 -5.360 7.089 1.00 0.26 H new ATOM 0 HE21 GLN B 73 0.943 -3.716 9.537 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.115 -4.519 10.876 1.00 0.60 H new ATOM 3441 N GLU B 74 4.712 -6.317 6.402 1.00 0.14 N ATOM 3442 CA GLU B 74 5.882 -5.451 6.380 1.00 0.17 C ATOM 3443 C GLU B 74 6.206 -5.055 4.939 1.00 0.14 C ATOM 3444 O GLU B 74 6.743 -3.978 4.671 1.00 0.16 O ATOM 3445 CB GLU B 74 7.076 -6.173 7.005 1.00 0.27 C ATOM 3446 CG GLU B 74 8.114 -5.240 7.599 1.00 0.38 C ATOM 3447 CD GLU B 74 7.659 -4.623 8.907 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.773 -3.747 8.886 1.00 1.21 O ATOM 3449 OE2 GLU B 74 8.181 -5.024 9.969 1.00 1.10 O ATOM 0 H GLU B 74 4.903 -7.275 6.697 1.00 0.14 H new ATOM 0 HA GLU B 74 5.671 -4.551 6.957 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.715 -6.844 7.785 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.551 -6.794 6.246 1.00 0.27 H new ATOM 0 HG2 GLU B 74 9.041 -5.790 7.763 1.00 0.38 H new ATOM 0 HG3 GLU B 74 8.336 -4.447 6.885 1.00 0.38 H new ATOM 3456 N TYR B 75 5.864 -5.941 4.015 1.00 0.14 N ATOM 3457 CA TYR B 75 6.068 -5.705 2.595 1.00 0.14 C ATOM 3458 C TYR B 75 5.080 -4.669 2.082 1.00 0.11 C ATOM 3459 O TYR B 75 5.419 -3.825 1.260 1.00 0.13 O ATOM 3460 CB TYR B 75 5.910 -7.023 1.823 1.00 0.16 C ATOM 3461 CG TYR B 75 6.045 -6.898 0.321 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.962 -6.537 -0.474 1.00 1.21 C ATOM 3463 CD2 TYR B 75 7.257 -7.152 -0.299 1.00 1.19 C ATOM 3464 CE1 TYR B 75 5.086 -6.429 -1.845 1.00 1.22 C ATOM 3465 CE2 TYR B 75 7.390 -7.044 -1.673 1.00 1.20 C ATOM 3466 CZ TYR B 75 6.300 -6.681 -2.439 1.00 0.22 C ATOM 3467 OH TYR B 75 6.424 -6.575 -3.806 1.00 0.26 O ATOM 0 H TYR B 75 5.438 -6.843 4.229 1.00 0.14 H new ATOM 0 HA TYR B 75 7.077 -5.322 2.441 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.657 -7.731 2.183 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.932 -7.447 2.052 1.00 0.16 H new ATOM 0 HD1 TYR B 75 4.007 -6.338 -0.011 1.00 1.21 H new ATOM 0 HD2 TYR B 75 8.110 -7.438 0.298 1.00 1.19 H new ATOM 0 HE1 TYR B 75 4.234 -6.148 -2.447 1.00 1.22 H new ATOM 0 HE2 TYR B 75 8.342 -7.243 -2.143 1.00 1.20 H new ATOM 0 HH TYR B 75 5.533 -6.554 -4.215 1.00 0.26 H new ATOM 3477 N CYS B 76 3.855 -4.734 2.568 1.00 0.11 N ATOM 3478 CA CYS B 76 2.821 -3.843 2.092 1.00 0.12 C ATOM 3479 C CYS B 76 2.855 -2.495 2.808 1.00 0.12 C ATOM 3480 O CYS B 76 2.488 -1.480 2.224 1.00 0.13 O ATOM 3481 CB CYS B 76 1.454 -4.509 2.230 1.00 0.14 C ATOM 3482 SG CYS B 76 1.298 -6.050 1.300 1.00 0.22 S ATOM 0 H CYS B 76 3.555 -5.391 3.288 1.00 0.11 H new ATOM 0 HA CYS B 76 3.008 -3.642 1.037 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.263 -4.710 3.284 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.685 -3.813 1.894 1.00 0.14 H new ATOM 0 HG CYS B 76 1.004 -5.782 0.062 1.00 0.22 H new ATOM 3488 N VAL B 77 3.293 -2.462 4.062 1.00 0.13 N ATOM 3489 CA VAL B 77 3.484 -1.180 4.739 1.00 0.14 C ATOM 3490 C VAL B 77 4.637 -0.439 4.069 1.00 0.14 C ATOM 3491 O VAL B 77 4.661 0.786 4.011 1.00 0.19 O ATOM 3492 CB VAL B 77 3.741 -1.343 6.259 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.957 -2.202 6.500 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.901 0.009 6.945 1.00 0.20 C ATOM 0 H VAL B 77 3.518 -3.285 4.621 1.00 0.13 H new ATOM 0 HA VAL B 77 2.564 -0.603 4.648 1.00 0.14 H new ATOM 0 HB VAL B 77 2.871 -1.836 6.692 1.00 0.16 H new ATOM 0 HG11 VAL B 77 5.122 -2.306 7.572 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.800 -3.187 6.060 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.829 -1.735 6.042 1.00 0.14 H new ATOM 0 HG21 VAL B 77 4.080 -0.142 8.010 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.745 0.541 6.507 1.00 0.20 H new ATOM 0 HG23 VAL B 77 2.992 0.596 6.809 1.00 0.20 H new ATOM 3504 N PHE B 78 5.576 -1.216 3.543 1.00 0.11 N ATOM 3505 CA PHE B 78 6.610 -0.713 2.653 1.00 0.11 C ATOM 3506 C PHE B 78 5.974 0.053 1.499 1.00 0.11 C ATOM 3507 O PHE B 78 6.349 1.186 1.193 1.00 0.11 O ATOM 3508 CB PHE B 78 7.418 -1.905 2.126 1.00 0.12 C ATOM 3509 CG PHE B 78 8.181 -1.656 0.857 1.00 0.12 C ATOM 3510 CD1 PHE B 78 7.593 -1.890 -0.382 1.00 1.17 C ATOM 3511 CD2 PHE B 78 9.487 -1.211 0.902 1.00 1.18 C ATOM 3512 CE1 PHE B 78 8.301 -1.681 -1.548 1.00 1.18 C ATOM 3513 CE2 PHE B 78 10.199 -0.998 -0.261 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.607 -1.234 -1.487 1.00 0.15 C ATOM 0 H PHE B 78 5.640 -2.218 3.724 1.00 0.11 H new ATOM 0 HA PHE B 78 7.270 -0.032 3.190 1.00 0.11 H new ATOM 0 HB2 PHE B 78 8.122 -2.215 2.898 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.737 -2.740 1.962 1.00 0.12 H new ATOM 0 HD1 PHE B 78 6.572 -2.239 -0.432 1.00 1.17 H new ATOM 0 HD2 PHE B 78 9.956 -1.028 1.857 1.00 1.18 H new ATOM 0 HE1 PHE B 78 7.836 -1.866 -2.505 1.00 1.18 H new ATOM 0 HE2 PHE B 78 11.219 -0.647 -0.213 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.165 -1.069 -2.397 1.00 0.15 H new ATOM 3524 N LEU B 79 4.998 -0.588 0.879 1.00 0.14 N ATOM 3525 CA LEU B 79 4.291 -0.021 -0.253 1.00 0.16 C ATOM 3526 C LEU B 79 3.509 1.210 0.135 1.00 0.17 C ATOM 3527 O LEU B 79 3.663 2.274 -0.468 1.00 0.20 O ATOM 3528 CB LEU B 79 3.343 -1.053 -0.835 1.00 0.15 C ATOM 3529 CG LEU B 79 3.974 -2.003 -1.832 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.873 -3.431 -1.349 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.285 -1.838 -3.157 1.00 0.14 C ATOM 0 H LEU B 79 4.674 -1.517 1.148 1.00 0.14 H new ATOM 0 HA LEU B 79 5.035 0.269 -0.995 1.00 0.16 H new ATOM 0 HB2 LEU B 79 2.917 -1.636 -0.018 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.517 -0.534 -1.321 1.00 0.15 H new ATOM 0 HG LEU B 79 5.033 -1.769 -1.940 1.00 0.15 H new ATOM 0 HD11 LEU B 79 4.332 -4.096 -2.080 1.00 0.19 H new ATOM 0 HD12 LEU B 79 4.390 -3.530 -0.394 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.824 -3.699 -1.223 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.729 -2.516 -3.885 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.225 -2.067 -3.047 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.400 -0.810 -3.501 1.00 0.14 H new ATOM 3543 N SER B 80 2.668 1.058 1.135 1.00 0.19 N ATOM 3544 CA SER B 80 1.858 2.152 1.613 1.00 0.21 C ATOM 3545 C SER B 80 2.728 3.312 2.042 1.00 0.20 C ATOM 3546 O SER B 80 2.338 4.465 1.908 1.00 0.24 O ATOM 3547 CB SER B 80 0.978 1.679 2.752 1.00 0.22 C ATOM 3548 OG SER B 80 1.692 0.864 3.654 1.00 0.18 O ATOM 0 H SER B 80 2.529 0.180 1.634 1.00 0.19 H new ATOM 0 HA SER B 80 1.218 2.501 0.803 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.573 2.541 3.282 1.00 0.22 H new ATOM 0 HB3 SER B 80 0.130 1.123 2.351 1.00 0.22 H new ATOM 0 HG SER B 80 2.630 1.148 3.679 1.00 0.18 H new ATOM 3554 N CYS B 81 3.917 3.002 2.535 1.00 0.17 N ATOM 3555 CA CYS B 81 4.881 4.028 2.834 1.00 0.18 C ATOM 3556 C CYS B 81 5.239 4.792 1.587 1.00 0.33 C ATOM 3557 O CYS B 81 5.160 5.995 1.586 1.00 0.72 O ATOM 3558 CB CYS B 81 6.148 3.466 3.441 1.00 0.30 C ATOM 3559 SG CYS B 81 7.563 4.572 3.256 1.00 1.83 S ATOM 0 H CYS B 81 4.229 2.051 2.733 1.00 0.17 H new ATOM 0 HA CYS B 81 4.415 4.691 3.563 1.00 0.18 H new ATOM 0 HB2 CYS B 81 5.982 3.270 4.500 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.377 2.509 2.972 1.00 0.30 H new ATOM 0 HG CYS B 81 8.053 4.453 2.058 1.00 1.83 H new ATOM 3565 N ILE B 82 5.631 4.095 0.526 1.00 0.17 N ATOM 3566 CA ILE B 82 6.032 4.774 -0.696 1.00 0.19 C ATOM 3567 C ILE B 82 4.913 5.673 -1.199 1.00 0.21 C ATOM 3568 O ILE B 82 5.119 6.856 -1.446 1.00 0.28 O ATOM 3569 CB ILE B 82 6.439 3.803 -1.821 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.577 2.894 -1.361 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.861 4.603 -3.045 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.434 2.373 -2.496 1.00 0.41 C ATOM 0 H ILE B 82 5.679 3.077 0.488 1.00 0.17 H new ATOM 0 HA ILE B 82 6.909 5.368 -0.437 1.00 0.19 H new ATOM 0 HB ILE B 82 5.587 3.173 -2.076 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.209 3.442 -0.662 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.158 2.048 -0.816 1.00 0.24 H new ATOM 0 HG21 ILE B 82 7.150 3.920 -3.844 1.00 0.24 H new ATOM 0 HG22 ILE B 82 6.029 5.222 -3.380 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.707 5.241 -2.789 1.00 0.24 H new ATOM 0 HD11 ILE B 82 9.221 1.735 -2.094 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.815 1.797 -3.184 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.883 3.212 -3.028 1.00 0.41 H new ATOM 3584 N ALA B 83 3.723 5.119 -1.309 1.00 0.26 N ATOM 3585 CA ALA B 83 2.585 5.877 -1.790 1.00 0.32 C ATOM 3586 C ALA B 83 2.296 7.064 -0.877 1.00 0.32 C ATOM 3587 O ALA B 83 2.089 8.183 -1.341 1.00 0.35 O ATOM 3588 CB ALA B 83 1.373 4.978 -1.895 1.00 0.42 C ATOM 0 H ALA B 83 3.518 4.148 -1.072 1.00 0.26 H new ATOM 0 HA ALA B 83 2.821 6.267 -2.780 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.522 5.555 -2.257 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.582 4.165 -2.590 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.140 4.565 -0.913 1.00 0.42 H new ATOM 3594 N MET B 84 2.319 6.817 0.424 1.00 0.33 N ATOM 3595 CA MET B 84 2.009 7.846 1.407 1.00 0.36 C ATOM 3596 C MET B 84 3.151 8.840 1.572 1.00 0.36 C ATOM 3597 O MET B 84 2.926 10.020 1.816 1.00 0.48 O ATOM 3598 CB MET B 84 1.669 7.203 2.729 1.00 0.38 C ATOM 3599 CG MET B 84 1.408 8.184 3.850 1.00 0.44 C ATOM 3600 SD MET B 84 1.241 7.321 5.410 1.00 0.38 S ATOM 3601 CE MET B 84 2.475 6.066 5.114 1.00 0.22 C ATOM 0 H MET B 84 2.550 5.908 0.826 1.00 0.33 H new ATOM 0 HA MET B 84 1.147 8.407 1.045 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.787 6.576 2.598 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.488 6.545 3.021 1.00 0.38 H new ATOM 0 HG2 MET B 84 2.225 8.902 3.910 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.500 8.751 3.642 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.819 5.663 6.066 1.00 0.22 H new ATOM 0 HE2 MET B 84 2.042 5.264 4.516 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.318 6.504 4.579 1.00 0.22 H new ATOM 3611 N MET B 85 4.371 8.357 1.432 1.00 0.28 N ATOM 3612 CA MET B 85 5.555 9.197 1.489 1.00 0.29 C ATOM 3613 C MET B 85 5.511 10.212 0.351 1.00 0.34 C ATOM 3614 O MET B 85 6.056 11.309 0.441 1.00 0.48 O ATOM 3615 CB MET B 85 6.802 8.333 1.375 1.00 0.28 C ATOM 3616 CG MET B 85 8.072 9.074 1.720 1.00 0.32 C ATOM 3617 SD MET B 85 9.502 8.485 0.782 1.00 0.29 S ATOM 3618 CE MET B 85 9.518 6.776 1.305 1.00 0.25 C ATOM 0 H MET B 85 4.571 7.369 1.275 1.00 0.28 H new ATOM 0 HA MET B 85 5.582 9.729 2.440 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.701 7.471 2.035 1.00 0.28 H new ATOM 0 HB3 MET B 85 6.878 7.948 0.358 1.00 0.28 H new ATOM 0 HG2 MET B 85 7.930 10.138 1.529 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.273 8.966 2.786 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.446 6.305 0.981 1.00 0.25 H new ATOM 0 HE2 MET B 85 9.447 6.727 2.392 1.00 0.25 H new ATOM 0 HE3 MET B 85 8.671 6.252 0.862 1.00 0.25 H new ATOM 3628 N CYS B 86 4.829 9.821 -0.719 1.00 0.31 N ATOM 3629 CA CYS B 86 4.654 10.659 -1.893 1.00 0.34 C ATOM 3630 C CYS B 86 3.701 11.816 -1.607 1.00 0.39 C ATOM 3631 O CYS B 86 3.642 12.784 -2.362 1.00 0.46 O ATOM 3632 CB CYS B 86 4.121 9.823 -3.058 1.00 0.39 C ATOM 3633 SG CYS B 86 4.040 10.712 -4.627 1.00 0.94 S ATOM 0 H CYS B 86 4.380 8.908 -0.794 1.00 0.31 H new ATOM 0 HA CYS B 86 5.626 11.075 -2.160 1.00 0.34 H new ATOM 0 HB2 CYS B 86 4.756 8.946 -3.182 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.124 9.462 -2.806 1.00 0.39 H new ATOM 0 HG CYS B 86 5.060 11.512 -4.726 1.00 0.94 H new ATOM 3639 N ASN B 87 2.937 11.703 -0.523 1.00 0.45 N ATOM 3640 CA ASN B 87 1.945 12.715 -0.165 1.00 0.58 C ATOM 3641 C ASN B 87 2.562 14.108 -0.026 1.00 0.68 C ATOM 3642 O ASN B 87 1.906 15.100 -0.320 1.00 0.89 O ATOM 3643 CB ASN B 87 1.217 12.337 1.128 1.00 0.72 C ATOM 3644 CG ASN B 87 0.213 13.388 1.566 1.00 1.10 C ATOM 3645 OD1 ASN B 87 0.519 14.250 2.382 1.00 1.72 O ATOM 3646 ND2 ASN B 87 -0.992 13.326 1.019 1.00 1.77 N ATOM 0 H ASN B 87 2.986 10.917 0.126 1.00 0.45 H new ATOM 0 HA ASN B 87 1.226 12.749 -0.983 1.00 0.58 H new ATOM 0 HB2 ASN B 87 0.703 11.387 0.986 1.00 0.72 H new ATOM 0 HB3 ASN B 87 1.949 12.187 1.922 1.00 0.72 H new ATOM 0 HD21 ASN B 87 -1.703 14.011 1.273 1.00 1.77 H new ATOM 0 HD22 ASN B 87 -1.208 12.593 0.343 1.00 1.77 H new ATOM 3653 N GLU B 88 3.818 14.193 0.403 1.00 0.70 N ATOM 3654 CA GLU B 88 4.475 15.494 0.528 1.00 0.89 C ATOM 3655 C GLU B 88 4.945 15.990 -0.841 1.00 0.86 C ATOM 3656 O GLU B 88 5.104 17.190 -1.060 1.00 1.06 O ATOM 3657 CB GLU B 88 5.659 15.439 1.508 1.00 1.03 C ATOM 3658 CG GLU B 88 6.849 14.628 1.013 1.00 1.51 C ATOM 3659 CD GLU B 88 8.052 14.715 1.937 1.00 1.72 C ATOM 3660 OE1 GLU B 88 8.769 15.743 1.908 1.00 1.98 O ATOM 3661 OE2 GLU B 88 8.302 13.755 2.689 1.00 2.33 O ATOM 0 H GLU B 88 4.394 13.393 0.666 1.00 0.70 H new ATOM 0 HA GLU B 88 3.743 16.195 0.928 1.00 0.89 H new ATOM 0 HB2 GLU B 88 5.990 16.456 1.716 1.00 1.03 H new ATOM 0 HB3 GLU B 88 5.314 15.016 2.452 1.00 1.03 H new ATOM 0 HG2 GLU B 88 6.552 13.584 0.909 1.00 1.51 H new ATOM 0 HG3 GLU B 88 7.134 14.979 0.021 1.00 1.51 H new ATOM 3668 N PHE B 89 5.142 15.054 -1.761 1.00 0.69 N ATOM 3669 CA PHE B 89 5.652 15.366 -3.090 1.00 0.71 C ATOM 3670 C PHE B 89 4.527 15.638 -4.083 1.00 0.73 C ATOM 3671 O PHE B 89 4.290 16.781 -4.482 1.00 0.88 O ATOM 3672 CB PHE B 89 6.495 14.200 -3.610 1.00 0.69 C ATOM 3673 CG PHE B 89 7.747 13.953 -2.824 1.00 0.91 C ATOM 3674 CD1 PHE B 89 8.868 14.742 -3.020 1.00 1.65 C ATOM 3675 CD2 PHE B 89 7.807 12.927 -1.897 1.00 1.53 C ATOM 3676 CE1 PHE B 89 10.023 14.513 -2.305 1.00 1.99 C ATOM 3677 CE2 PHE B 89 8.962 12.692 -1.180 1.00 1.89 C ATOM 3678 CZ PHE B 89 10.070 13.486 -1.384 1.00 1.81 C ATOM 0 H PHE B 89 4.954 14.063 -1.608 1.00 0.69 H new ATOM 0 HA PHE B 89 6.258 16.267 -3.001 1.00 0.71 H new ATOM 0 HB2 PHE B 89 5.888 13.294 -3.601 1.00 0.69 H new ATOM 0 HB3 PHE B 89 6.763 14.394 -4.649 1.00 0.69 H new ATOM 0 HD1 PHE B 89 8.836 15.545 -3.741 1.00 1.65 H new ATOM 0 HD2 PHE B 89 6.940 12.304 -1.733 1.00 1.53 H new ATOM 0 HE1 PHE B 89 10.890 15.136 -2.465 1.00 1.99 H new ATOM 0 HE2 PHE B 89 8.998 11.888 -0.460 1.00 1.89 H new ATOM 0 HZ PHE B 89 10.975 13.305 -0.823 1.00 1.81 H new ATOM 3688 N PHE B 90 3.820 14.578 -4.453 1.00 0.63 N ATOM 3689 CA PHE B 90 2.845 14.633 -5.536 1.00 0.66 C ATOM 3690 C PHE B 90 1.572 15.347 -5.101 1.00 0.69 C ATOM 3691 O PHE B 90 1.169 16.338 -5.713 1.00 0.83 O ATOM 3692 CB PHE B 90 2.530 13.215 -6.025 1.00 0.69 C ATOM 3693 CG PHE B 90 1.476 13.164 -7.098 1.00 0.95 C ATOM 3694 CD1 PHE B 90 1.823 13.320 -8.431 1.00 1.44 C ATOM 3695 CD2 PHE B 90 0.143 12.962 -6.775 1.00 1.79 C ATOM 3696 CE1 PHE B 90 0.859 13.278 -9.420 1.00 1.68 C ATOM 3697 CE2 PHE B 90 -0.823 12.920 -7.760 1.00 2.09 C ATOM 3698 CZ PHE B 90 -0.464 13.078 -9.084 1.00 1.67 C ATOM 0 H PHE B 90 3.905 13.661 -4.014 1.00 0.63 H new ATOM 0 HA PHE B 90 3.277 15.205 -6.357 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.445 12.760 -6.405 1.00 0.69 H new ATOM 0 HB3 PHE B 90 2.202 12.613 -5.178 1.00 0.69 H new ATOM 0 HD1 PHE B 90 2.857 13.476 -8.699 1.00 1.44 H new ATOM 0 HD2 PHE B 90 -0.143 12.836 -5.741 1.00 1.79 H new ATOM 0 HE1 PHE B 90 1.141 13.402 -10.455 1.00 1.68 H new ATOM 0 HE2 PHE B 90 -1.858 12.764 -7.496 1.00 2.09 H new ATOM 0 HZ PHE B 90 -1.219 13.045 -9.856 1.00 1.67 H new ATOM 3708 N GLU B 91 0.939 14.833 -4.057 1.00 0.70 N ATOM 3709 CA GLU B 91 -0.261 15.453 -3.517 1.00 0.83 C ATOM 3710 C GLU B 91 0.117 16.810 -2.925 1.00 1.01 C ATOM 3711 O GLU B 91 -0.490 17.829 -3.238 1.00 1.21 O ATOM 3712 CB GLU B 91 -0.891 14.522 -2.474 1.00 0.95 C ATOM 3713 CG GLU B 91 -2.397 14.699 -2.292 1.00 1.64 C ATOM 3714 CD GLU B 91 -2.810 16.117 -1.949 1.00 2.04 C ATOM 3715 OE1 GLU B 91 -2.861 16.450 -0.749 1.00 2.62 O ATOM 3716 OE2 GLU B 91 -3.093 16.901 -2.882 1.00 2.45 O ATOM 0 H GLU B 91 1.236 13.989 -3.567 1.00 0.70 H new ATOM 0 HA GLU B 91 -1.003 15.616 -4.298 1.00 0.83 H new ATOM 0 HB2 GLU B 91 -0.692 13.489 -2.760 1.00 0.95 H new ATOM 0 HB3 GLU B 91 -0.400 14.687 -1.515 1.00 0.95 H new ATOM 0 HG2 GLU B 91 -2.902 14.395 -3.209 1.00 1.64 H new ATOM 0 HG3 GLU B 91 -2.739 14.030 -1.502 1.00 1.64 H new ATOM 3723 N GLY B 92 1.158 16.824 -2.115 1.00 1.09 N ATOM 3724 CA GLY B 92 1.667 18.073 -1.590 1.00 1.36 C ATOM 3725 C GLY B 92 0.936 18.533 -0.346 1.00 1.53 C ATOM 3726 O GLY B 92 0.631 19.719 -0.205 1.00 1.90 O ATOM 0 H GLY B 92 1.663 15.992 -1.809 1.00 1.09 H new ATOM 0 HA2 GLY B 92 2.727 17.960 -1.361 1.00 1.36 H new ATOM 0 HA3 GLY B 92 1.587 18.843 -2.357 1.00 1.36 H new ATOM 3730 N PHE B 93 0.644 17.605 0.550 1.00 1.50 N ATOM 3731 CA PHE B 93 -0.015 17.948 1.801 1.00 1.82 C ATOM 3732 C PHE B 93 0.970 17.840 2.961 1.00 1.98 C ATOM 3733 O PHE B 93 1.257 16.750 3.455 1.00 2.12 O ATOM 3734 CB PHE B 93 -1.229 17.047 2.039 1.00 2.19 C ATOM 3735 CG PHE B 93 -2.092 17.487 3.189 1.00 2.75 C ATOM 3736 CD1 PHE B 93 -2.681 18.742 3.189 1.00 3.14 C ATOM 3737 CD2 PHE B 93 -2.323 16.644 4.264 1.00 3.37 C ATOM 3738 CE1 PHE B 93 -3.482 19.147 4.239 1.00 3.73 C ATOM 3739 CE2 PHE B 93 -3.122 17.046 5.316 1.00 3.97 C ATOM 3740 CZ PHE B 93 -3.702 18.298 5.303 1.00 4.00 C ATOM 0 H PHE B 93 0.851 16.613 0.436 1.00 1.50 H new ATOM 0 HA PHE B 93 -0.366 18.978 1.737 1.00 1.82 H new ATOM 0 HB2 PHE B 93 -1.833 17.020 1.132 1.00 2.19 H new ATOM 0 HB3 PHE B 93 -0.885 16.029 2.223 1.00 2.19 H new ATOM 0 HD1 PHE B 93 -2.512 19.411 2.358 1.00 3.14 H new ATOM 0 HD2 PHE B 93 -1.873 15.662 4.279 1.00 3.37 H new ATOM 0 HE1 PHE B 93 -3.935 20.127 4.227 1.00 3.73 H new ATOM 0 HE2 PHE B 93 -3.293 16.380 6.149 1.00 3.97 H new ATOM 0 HZ PHE B 93 -4.328 18.613 6.125 1.00 4.00 H new ATOM 3750 N PRO B 94 1.518 18.978 3.402 1.00 2.52 N ATOM 3751 CA PRO B 94 2.507 19.004 4.474 1.00 3.07 C ATOM 3752 C PRO B 94 1.879 18.775 5.845 1.00 3.02 C ATOM 3753 O PRO B 94 1.431 19.715 6.500 1.00 3.41 O ATOM 3754 CB PRO B 94 3.102 20.407 4.373 1.00 3.84 C ATOM 3755 CG PRO B 94 2.018 21.241 3.780 1.00 3.90 C ATOM 3756 CD PRO B 94 1.207 20.329 2.898 1.00 3.08 C ATOM 0 HA PRO B 94 3.247 18.210 4.371 1.00 3.07 H new ATOM 0 HB2 PRO B 94 3.398 20.782 5.353 1.00 3.84 H new ATOM 0 HB3 PRO B 94 3.994 20.414 3.746 1.00 3.84 H new ATOM 0 HG2 PRO B 94 1.396 21.679 4.560 1.00 3.90 H new ATOM 0 HG3 PRO B 94 2.436 22.067 3.204 1.00 3.90 H new ATOM 0 HD2 PRO B 94 0.141 20.547 2.971 1.00 3.08 H new ATOM 0 HD3 PRO B 94 1.484 20.438 1.849 1.00 3.08 H new ATOM 3764 N ASP B 95 1.816 17.516 6.259 1.00 2.85 N ATOM 3765 CA ASP B 95 1.253 17.171 7.560 1.00 3.20 C ATOM 3766 C ASP B 95 1.810 15.852 8.083 1.00 3.38 C ATOM 3767 O ASP B 95 2.194 15.747 9.247 1.00 3.79 O ATOM 3768 CB ASP B 95 -0.271 17.089 7.476 1.00 3.91 C ATOM 3769 CG ASP B 95 -0.894 16.552 8.748 1.00 4.67 C ATOM 3770 OD1 ASP B 95 -0.882 17.266 9.771 1.00 5.19 O ATOM 3771 OD2 ASP B 95 -1.405 15.413 8.724 1.00 5.10 O ATOM 0 H ASP B 95 2.146 16.718 5.716 1.00 2.85 H new ATOM 0 HA ASP B 95 1.537 17.959 8.257 1.00 3.20 H new ATOM 0 HB2 ASP B 95 -0.674 18.080 7.268 1.00 3.91 H new ATOM 0 HB3 ASP B 95 -0.552 16.449 6.639 1.00 3.91 H new ATOM 3776 N LYS B 96 1.876 14.853 7.213 1.00 3.54 N ATOM 3777 CA LYS B 96 2.300 13.510 7.612 1.00 4.45 C ATOM 3778 C LYS B 96 3.822 13.399 7.648 1.00 4.54 C ATOM 3779 O LYS B 96 4.393 12.386 7.231 1.00 4.98 O ATOM 3780 CB LYS B 96 1.718 12.459 6.656 1.00 5.36 C ATOM 3781 CG LYS B 96 0.194 12.380 6.660 1.00 6.28 C ATOM 3782 CD LYS B 96 -0.441 13.538 5.905 1.00 7.13 C ATOM 3783 CE LYS B 96 -1.957 13.432 5.881 1.00 7.93 C ATOM 3784 NZ LYS B 96 -2.545 13.460 7.248 1.00 8.39 N ATOM 0 H LYS B 96 1.642 14.944 6.224 1.00 3.54 H new ATOM 0 HA LYS B 96 1.921 13.325 8.617 1.00 4.45 H new ATOM 0 HB2 LYS B 96 2.056 12.680 5.643 1.00 5.36 H new ATOM 0 HB3 LYS B 96 2.121 11.482 6.921 1.00 5.36 H new ATOM 0 HG2 LYS B 96 -0.121 11.438 6.210 1.00 6.28 H new ATOM 0 HG3 LYS B 96 -0.166 12.378 7.689 1.00 6.28 H new ATOM 0 HD2 LYS B 96 -0.150 14.479 6.371 1.00 7.13 H new ATOM 0 HD3 LYS B 96 -0.062 13.557 4.883 1.00 7.13 H new ATOM 0 HE2 LYS B 96 -2.368 14.254 5.294 1.00 7.93 H new ATOM 0 HE3 LYS B 96 -2.247 12.507 5.382 1.00 7.93 H new ATOM 0 HZ1 LYS B 96 -3.575 13.590 7.180 1.00 8.39 H new ATOM 0 HZ2 LYS B 96 -2.340 12.563 7.732 1.00 8.39 H new ATOM 0 HZ3 LYS B 96 -2.131 14.247 7.788 1.00 8.39 H new ATOM 3798 N GLN B 97 4.454 14.433 8.201 1.00 4.59 N ATOM 3799 CA GLN B 97 5.909 14.551 8.264 1.00 5.12 C ATOM 3800 C GLN B 97 6.499 14.813 6.872 1.00 5.38 C ATOM 3801 O GLN B 97 7.011 13.906 6.215 1.00 5.51 O ATOM 3802 CB GLN B 97 6.545 13.310 8.917 1.00 5.83 C ATOM 3803 CG GLN B 97 8.064 13.365 9.029 1.00 6.21 C ATOM 3804 CD GLN B 97 8.566 14.552 9.829 1.00 6.95 C ATOM 3805 OE1 GLN B 97 7.799 14.980 10.821 1.00 7.21 O flip ATOM 3806 NE2 GLN B 97 9.654 15.066 9.572 1.00 7.59 N flip ATOM 0 H GLN B 97 3.964 15.222 8.623 1.00 4.59 H new ATOM 0 HA GLN B 97 6.146 15.408 8.894 1.00 5.12 H new ATOM 0 HB2 GLN B 97 6.124 13.183 9.914 1.00 5.83 H new ATOM 0 HB3 GLN B 97 6.267 12.428 8.339 1.00 5.83 H new ATOM 0 HG2 GLN B 97 8.420 12.446 9.494 1.00 6.21 H new ATOM 0 HG3 GLN B 97 8.494 13.403 8.028 1.00 6.21 H new ATOM 0 HE21 GLN B 97 10.217 14.709 8.800 1.00 7.59 H new ATOM 0 HE22 GLN B 97 9.993 15.849 10.131 1.00 7.59 H new ATOM 3815 N PRO B 98 6.387 16.065 6.393 1.00 5.81 N ATOM 3816 CA PRO B 98 7.000 16.493 5.140 1.00 6.41 C ATOM 3817 C PRO B 98 8.436 16.958 5.361 1.00 6.44 C ATOM 3818 O PRO B 98 8.753 17.534 6.405 1.00 6.84 O ATOM 3819 CB PRO B 98 6.112 17.657 4.718 1.00 7.08 C ATOM 3820 CG PRO B 98 5.656 18.268 6.002 1.00 6.87 C ATOM 3821 CD PRO B 98 5.640 17.164 7.034 1.00 6.10 C ATOM 0 HA PRO B 98 7.063 15.699 4.396 1.00 6.41 H new ATOM 0 HB2 PRO B 98 6.662 18.375 4.111 1.00 7.08 H new ATOM 0 HB3 PRO B 98 5.267 17.315 4.120 1.00 7.08 H new ATOM 0 HG2 PRO B 98 6.327 19.071 6.307 1.00 6.87 H new ATOM 0 HG3 PRO B 98 4.664 18.706 5.890 1.00 6.87 H new ATOM 0 HD2 PRO B 98 6.114 17.480 7.963 1.00 6.10 H new ATOM 0 HD3 PRO B 98 4.622 16.864 7.281 1.00 6.10 H new ATOM 3829 N ARG B 99 9.308 16.716 4.396 1.00 6.34 N ATOM 3830 CA ARG B 99 10.720 17.016 4.587 1.00 6.64 C ATOM 3831 C ARG B 99 11.291 17.877 3.463 1.00 6.40 C ATOM 3832 O ARG B 99 12.480 18.204 3.473 1.00 6.77 O ATOM 3833 CB ARG B 99 11.508 15.716 4.732 1.00 6.94 C ATOM 3834 CG ARG B 99 11.062 14.892 5.928 1.00 7.54 C ATOM 3835 CD ARG B 99 11.890 13.635 6.086 1.00 7.94 C ATOM 3836 NE ARG B 99 11.513 12.881 7.280 1.00 8.46 N ATOM 3837 CZ ARG B 99 12.344 12.638 8.290 1.00 8.94 C ATOM 3838 NH1 ARG B 99 13.585 13.106 8.263 1.00 8.99 N ATOM 3839 NH2 ARG B 99 11.941 11.924 9.332 1.00 9.56 N ATOM 0 H ARG B 99 9.070 16.319 3.487 1.00 6.34 H new ATOM 0 HA ARG B 99 10.814 17.601 5.502 1.00 6.64 H new ATOM 0 HB2 ARG B 99 11.394 15.123 3.824 1.00 6.94 H new ATOM 0 HB3 ARG B 99 12.569 15.948 4.830 1.00 6.94 H new ATOM 0 HG2 ARG B 99 11.139 15.494 6.833 1.00 7.54 H new ATOM 0 HG3 ARG B 99 10.012 14.623 5.813 1.00 7.54 H new ATOM 0 HD2 ARG B 99 11.766 13.005 5.205 1.00 7.94 H new ATOM 0 HD3 ARG B 99 12.946 13.900 6.142 1.00 7.94 H new ATOM 0 HE ARG B 99 10.561 12.521 7.342 1.00 8.46 H new ATOM 0 HH11 ARG B 99 13.906 13.655 7.465 1.00 8.99 H new ATOM 0 HH12 ARG B 99 14.218 12.917 9.040 1.00 8.99 H new ATOM 0 HH21 ARG B 99 10.989 11.558 9.362 1.00 9.56 H new ATOM 0 HH22 ARG B 99 12.583 11.741 10.104 1.00 9.56 H new ATOM 3853 N LYS B 100 10.454 18.233 2.494 1.00 6.04 N ATOM 3854 CA LYS B 100 10.847 19.184 1.458 1.00 5.97 C ATOM 3855 C LYS B 100 9.622 19.697 0.707 1.00 5.32 C ATOM 3856 O LYS B 100 9.580 19.704 -0.524 1.00 5.54 O ATOM 3857 CB LYS B 100 11.863 18.567 0.488 1.00 6.71 C ATOM 3858 CG LYS B 100 11.374 17.328 -0.244 1.00 7.02 C ATOM 3859 CD LYS B 100 12.456 16.769 -1.155 1.00 7.50 C ATOM 3860 CE LYS B 100 12.871 17.773 -2.218 1.00 8.06 C ATOM 3861 NZ LYS B 100 14.022 17.288 -3.022 1.00 8.50 N ATOM 0 H LYS B 100 9.502 17.879 2.404 1.00 6.04 H new ATOM 0 HA LYS B 100 11.330 20.030 1.947 1.00 5.97 H new ATOM 0 HB2 LYS B 100 12.144 19.320 -0.249 1.00 6.71 H new ATOM 0 HB3 LYS B 100 12.765 18.311 1.043 1.00 6.71 H new ATOM 0 HG2 LYS B 100 11.075 16.569 0.479 1.00 7.02 H new ATOM 0 HG3 LYS B 100 10.490 17.574 -0.832 1.00 7.02 H new ATOM 0 HD2 LYS B 100 13.325 16.490 -0.559 1.00 7.50 H new ATOM 0 HD3 LYS B 100 12.094 15.860 -1.635 1.00 7.50 H new ATOM 0 HE2 LYS B 100 12.026 17.973 -2.878 1.00 8.06 H new ATOM 0 HE3 LYS B 100 13.134 18.718 -1.742 1.00 8.06 H new ATOM 0 HZ1 LYS B 100 14.273 18.002 -3.735 1.00 8.50 H new ATOM 0 HZ2 LYS B 100 14.836 17.122 -2.397 1.00 8.50 H new ATOM 0 HZ3 LYS B 100 13.764 16.400 -3.498 1.00 8.50 H new ATOM 3875 N LYS B 101 8.638 20.153 1.462 1.00 4.83 N ATOM 3876 CA LYS B 101 7.397 20.635 0.878 1.00 4.42 C ATOM 3877 C LYS B 101 7.366 22.159 0.923 1.00 4.87 C ATOM 3878 O LYS B 101 7.473 22.790 -0.148 1.00 5.44 O ATOM 3879 CB LYS B 101 6.188 20.043 1.619 1.00 3.91 C ATOM 3880 CG LYS B 101 4.931 19.950 0.764 1.00 3.27 C ATOM 3881 CD LYS B 101 4.370 21.318 0.416 1.00 3.64 C ATOM 3882 CE LYS B 101 3.410 21.243 -0.757 1.00 4.21 C ATOM 3883 NZ LYS B 101 2.833 22.570 -1.084 1.00 4.79 N ATOM 3884 OXT LYS B 101 7.266 22.721 2.030 1.00 5.06 O ATOM 0 H LYS B 101 8.673 20.200 2.480 1.00 4.83 H new ATOM 0 HA LYS B 101 7.344 20.313 -0.162 1.00 4.42 H new ATOM 0 HB2 LYS B 101 6.446 19.047 1.979 1.00 3.91 H new ATOM 0 HB3 LYS B 101 5.976 20.654 2.496 1.00 3.91 H new ATOM 0 HG2 LYS B 101 5.158 19.408 -0.154 1.00 3.27 H new ATOM 0 HG3 LYS B 101 4.174 19.374 1.296 1.00 3.27 H new ATOM 0 HD2 LYS B 101 3.855 21.733 1.283 1.00 3.64 H new ATOM 0 HD3 LYS B 101 5.188 21.997 0.176 1.00 3.64 H new ATOM 0 HE2 LYS B 101 3.932 20.849 -1.629 1.00 4.21 H new ATOM 0 HE3 LYS B 101 2.606 20.545 -0.524 1.00 4.21 H new ATOM 0 HZ1 LYS B 101 2.183 22.477 -1.890 1.00 4.79 H new ATOM 0 HZ2 LYS B 101 2.313 22.935 -0.260 1.00 4.79 H new ATOM 0 HZ3 LYS B 101 3.598 23.230 -1.331 1.00 4.79 H new TER 3898 LYS B 101