USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 903 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: A 73 HIS : no HE2:sc= 0.569 K(o=0.48,f=-3.9!) USER MOD Set 1.2: B 6 MET CE :methyl -119:sc= -0.0932 (180deg=-1.58!) USER MOD Set 2.1: A 86 ASN : amide:sc= 0.302! X(o=-0.53!,f=-0.16) USER MOD Set 2.2: A 89 GLN : amide:sc= -0.83 K(o=-0.53,f=0.13) USER MOD Set 3.1: A 70 HIS : no HD1:sc= -8.96! C(o=-8.9!,f=-13!) USER MOD Set 3.2: A 74 CYS SG : rot 180:sc=0.000116 USER MOD Set 3.3: B 3 SER OG : rot -140:sc= 0.0136 USER MOD Set 4.1: A 46 THR OG1 : rot -179:sc= -5.44! USER MOD Set 4.2: A 60 CYS SG : rot 101:sc= -5.56! USER MOD Set 5.1: A 45 HIS : no HD1:sc= -0.32 K(o=-0.78,f=-1.7) USER MOD Set 5.2: A 49 CYS SG : rot 90:sc= -0.464 USER MOD Set 5.3: A 57 CYS SG : rot 170:sc= 0 USER MOD Set 6.1: A 22 HIS : no HD1:sc= -2.05! K(o=-5.5!,f=-0.36) USER MOD Set 6.2: A 26 CYS SG : rot 170:sc= 0.00349 USER MOD Set 6.3: A 36 CYS SG : rot -169:sc= -3.41! USER MOD Set 7.1: A 14 GLN : amide:sc= 1.63 K(o=2.1,f=-6.1!) USER MOD Set 7.2: A 18 GLN : amide:sc= 0.474 K(o=2.1,f=-5.5!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 3 GLN : amide:sc= 0.264 K(o=0.26,f=-7.2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 41:sc= 1.42 USER MOD Single : A 19 SER OG : rot 89:sc= -0.183 USER MOD Single : A 25 GLN : amide:sc= -0.0514 X(o=-0.051,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.217 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 35 SER OG : rot -130:sc= -3.33! USER MOD Single : A 37 GLN : amide:sc= -2.3! K(o=-2.3!,f=-1.6) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -174:sc= -6.19! (180deg=-6.22!) USER MOD Single : A 40 LYS NZ :NH3+ 148:sc= 0.862 (180deg=-1.61) USER MOD Single : A 44 GLN : amide:sc= -2.42! K(o=-2.4!,f=-0.13) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 142:sc= 1.32 (180deg=1.15) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0.671 (180deg=0.437) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.62 K(o=-1.6,f=-4.5!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0682) USER MOD Single : A 75 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.53) USER MOD Single : A 77 ASN : amide:sc= -0.0779 K(o=-0.078,f=-1.4!) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= 1.15 (180deg=0.844) USER MOD Single : A 79 CYS SG : rot 45:sc= -0.159 USER MOD Single : A 84 CYS SG : rot 180:sc= 0.28! USER MOD Single : A 88 LYS NZ :NH3+ -149:sc= 0.793 (180deg=0.624) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LEU N :NH3+ -146:sc= -0.391 (180deg=-2.02!) USER MOD Single : B 4 GLN : amide:sc= -0.936 K(o=-0.94,f=-7.1!) USER MOD Single : B 10 MET CE :methyl -166:sc= -4.35! (180deg=-4.44!) USER MOD Single : B 12 SER OG : rot 180:sc= 0.101 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 THR OG1 : rot 106:sc= 0.528 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.655 -14.829 -2.826 1.00 0.00 N ATOM 2 CA ALA A 1 21.448 -14.288 -1.717 1.00 0.00 C ATOM 3 C ALA A 1 20.626 -13.308 -0.903 1.00 0.00 C ATOM 4 O ALA A 1 20.404 -13.512 0.293 1.00 0.00 O ATOM 5 CB ALA A 1 22.722 -13.622 -2.221 1.00 0.00 C ATOM 0 H1 ALA A 1 21.234 -15.498 -3.373 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.820 -15.321 -2.448 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.348 -14.052 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 1 21.735 -15.121 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 1 23.287 -13.231 -1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 1 23.328 -14.353 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 1 22.463 -12.804 -2.893 1.00 0.00 H new ATOM 13 N THR A 2 20.164 -12.255 -1.536 1.00 0.00 N ATOM 14 CA THR A 2 19.390 -11.264 -0.861 1.00 0.00 C ATOM 15 C THR A 2 17.918 -11.503 -1.057 1.00 0.00 C ATOM 16 O THR A 2 17.511 -11.958 -2.137 1.00 0.00 O ATOM 17 CB THR A 2 19.752 -9.867 -1.364 1.00 0.00 C ATOM 18 OG1 THR A 2 19.781 -9.869 -2.807 1.00 0.00 O ATOM 19 CG2 THR A 2 21.100 -9.436 -0.821 1.00 0.00 C ATOM 0 H THR A 2 20.318 -12.070 -2.527 1.00 0.00 H new ATOM 0 HA THR A 2 19.618 -11.333 0.203 1.00 0.00 H new ATOM 0 HB THR A 2 18.999 -9.161 -1.014 1.00 0.00 H new ATOM 0 HG1 THR A 2 20.011 -8.973 -3.131 1.00 0.00 H new ATOM 0 HG21 THR A 2 21.339 -8.439 -1.191 1.00 0.00 H new ATOM 0 HG22 THR A 2 21.065 -9.420 0.268 1.00 0.00 H new ATOM 0 HG23 THR A 2 21.866 -10.138 -1.150 1.00 0.00 H new ATOM 27 N GLN A 3 17.154 -11.262 0.018 1.00 0.00 N ATOM 28 CA GLN A 3 15.752 -11.297 0.105 1.00 0.00 C ATOM 29 C GLN A 3 15.438 -12.552 0.814 1.00 0.00 C ATOM 30 O GLN A 3 14.953 -13.517 0.250 1.00 0.00 O ATOM 31 CB GLN A 3 14.965 -11.067 -1.200 1.00 0.00 C ATOM 32 CG GLN A 3 15.260 -9.822 -1.981 1.00 0.00 C ATOM 33 CD GLN A 3 15.124 -8.545 -1.184 1.00 0.00 C ATOM 34 OE1 GLN A 3 14.323 -8.445 -0.251 1.00 0.00 O ATOM 35 NE2 GLN A 3 15.916 -7.563 -1.535 1.00 0.00 N ATOM 0 H GLN A 3 17.577 -11.018 0.914 1.00 0.00 H new ATOM 0 HA GLN A 3 15.399 -10.426 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 3 15.141 -11.922 -1.853 1.00 0.00 H new ATOM 0 HB3 GLN A 3 13.903 -11.066 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 3 16.274 -9.885 -2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 3 14.588 -9.776 -2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 3 16.565 -7.684 -2.312 1.00 0.00 H new ATOM 0 HE22 GLN A 3 15.884 -6.677 -1.031 1.00 0.00 H new ATOM 44 N SER A 4 15.867 -12.603 2.093 1.00 0.00 N ATOM 45 CA SER A 4 15.721 -13.835 2.826 1.00 0.00 C ATOM 46 C SER A 4 14.767 -13.807 4.025 1.00 0.00 C ATOM 47 O SER A 4 13.989 -14.732 4.225 1.00 0.00 O ATOM 48 CB SER A 4 16.998 -14.557 3.073 1.00 0.00 C ATOM 49 OG SER A 4 17.740 -14.701 1.863 1.00 0.00 O ATOM 0 H SER A 4 16.296 -11.831 2.604 1.00 0.00 H new ATOM 0 HA SER A 4 15.178 -14.460 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.593 -14.013 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.790 -15.540 3.496 1.00 0.00 H new ATOM 0 HG SER A 4 18.577 -15.177 2.047 1.00 0.00 H new ATOM 55 N PRO A 5 14.879 -12.855 4.966 1.00 0.00 N ATOM 56 CA PRO A 5 13.882 -12.762 6.022 1.00 0.00 C ATOM 57 C PRO A 5 12.988 -11.746 5.418 1.00 0.00 C ATOM 58 O PRO A 5 12.057 -11.283 6.059 1.00 0.00 O ATOM 59 CB PRO A 5 14.633 -12.200 7.251 1.00 0.00 C ATOM 60 CG PRO A 5 16.120 -12.255 6.876 1.00 0.00 C ATOM 61 CD PRO A 5 16.099 -12.118 5.357 1.00 0.00 C ATOM 0 HA PRO A 5 13.360 -13.667 6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.320 -11.179 7.470 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.430 -12.794 8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.684 -11.449 7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.581 -13.192 7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.055 -11.074 5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 5 16.992 -12.547 4.902 1.00 0.00 H new ATOM 69 N GLY A 6 13.332 -11.406 4.158 1.00 0.00 N ATOM 70 CA GLY A 6 12.700 -10.467 3.349 1.00 0.00 C ATOM 71 C GLY A 6 12.296 -10.689 1.934 1.00 0.00 C ATOM 72 O GLY A 6 11.681 -9.764 1.475 1.00 0.00 O ATOM 0 H GLY A 6 14.126 -11.842 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.791 -10.181 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.352 -9.593 3.340 1.00 0.00 H new ATOM 76 N ASP A 7 12.439 -11.767 1.108 1.00 0.00 N ATOM 77 CA ASP A 7 11.918 -11.610 -0.203 1.00 0.00 C ATOM 78 C ASP A 7 10.438 -11.768 0.077 1.00 0.00 C ATOM 79 O ASP A 7 9.648 -10.943 -0.221 1.00 0.00 O ATOM 80 CB ASP A 7 12.375 -12.774 -1.036 1.00 0.00 C ATOM 81 CG ASP A 7 12.079 -12.760 -2.524 1.00 0.00 C ATOM 82 OD1 ASP A 7 10.986 -13.195 -2.929 1.00 0.00 O ATOM 83 OD2 ASP A 7 12.968 -12.388 -3.327 1.00 0.00 O ATOM 0 H ASP A 7 12.876 -12.661 1.334 1.00 0.00 H new ATOM 0 HA ASP A 7 12.202 -10.692 -0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.454 -12.866 -0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.929 -13.676 -0.618 1.00 0.00 H new ATOM 88 N SER A 8 10.134 -12.716 0.874 1.00 0.00 N ATOM 89 CA SER A 8 8.822 -12.868 1.166 1.00 0.00 C ATOM 90 C SER A 8 8.247 -11.705 2.113 1.00 0.00 C ATOM 91 O SER A 8 7.104 -11.354 1.954 1.00 0.00 O ATOM 92 CB SER A 8 8.484 -14.256 1.585 1.00 0.00 C ATOM 93 OG SER A 8 8.976 -15.188 0.633 1.00 0.00 O ATOM 0 H SER A 8 10.781 -13.371 1.313 1.00 0.00 H new ATOM 0 HA SER A 8 8.274 -12.732 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.915 -14.463 2.564 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.404 -14.361 1.683 1.00 0.00 H new ATOM 0 HG SER A 8 8.750 -16.098 0.919 1.00 0.00 H new ATOM 99 N ARG A 9 9.061 -11.089 3.072 1.00 0.00 N ATOM 100 CA ARG A 9 8.601 -9.944 3.813 1.00 0.00 C ATOM 101 C ARG A 9 8.485 -8.701 2.878 1.00 0.00 C ATOM 102 O ARG A 9 7.471 -7.996 2.892 1.00 0.00 O ATOM 103 CB ARG A 9 9.591 -9.591 4.916 1.00 0.00 C ATOM 104 CG ARG A 9 9.106 -8.566 5.878 1.00 0.00 C ATOM 105 CD ARG A 9 7.850 -8.970 6.696 1.00 0.00 C ATOM 106 NE ARG A 9 6.583 -9.028 5.902 1.00 0.00 N ATOM 107 CZ ARG A 9 5.370 -9.392 6.402 1.00 0.00 C ATOM 108 NH1 ARG A 9 5.219 -9.598 7.715 1.00 0.00 N ATOM 109 NH2 ARG A 9 4.303 -9.514 5.596 1.00 0.00 N ATOM 0 H ARG A 9 10.005 -11.396 3.306 1.00 0.00 H new ATOM 0 HA ARG A 9 7.629 -10.197 4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.840 -10.498 5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.513 -9.233 4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.913 -8.332 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.883 -7.651 5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.025 -9.946 7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.720 -8.259 7.512 1.00 0.00 H new ATOM 0 HE ARG A 9 6.632 -8.777 4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.014 -9.482 8.344 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.309 -9.871 8.087 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.396 -9.333 4.596 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.400 -9.787 5.983 1.00 0.00 H new ATOM 123 N ARG A 10 9.525 -8.467 2.058 1.00 0.00 N ATOM 124 CA ARG A 10 9.606 -7.277 1.192 1.00 0.00 C ATOM 125 C ARG A 10 8.635 -7.358 0.062 1.00 0.00 C ATOM 126 O ARG A 10 7.979 -6.385 -0.249 1.00 0.00 O ATOM 127 CB ARG A 10 11.010 -6.991 0.597 1.00 0.00 C ATOM 128 CG ARG A 10 12.078 -6.364 1.525 1.00 0.00 C ATOM 129 CD ARG A 10 12.787 -7.357 2.429 1.00 0.00 C ATOM 130 NE ARG A 10 13.844 -6.733 3.241 1.00 0.00 N ATOM 131 CZ ARG A 10 15.147 -6.648 2.900 1.00 0.00 C ATOM 132 NH1 ARG A 10 15.588 -7.163 1.764 1.00 0.00 N ATOM 133 NH2 ARG A 10 16.003 -6.058 3.698 1.00 0.00 N ATOM 0 H ARG A 10 10.327 -9.092 1.977 1.00 0.00 H new ATOM 0 HA ARG A 10 9.364 -6.454 1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.409 -7.931 0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.881 -6.329 -0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.821 -5.856 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.602 -5.604 2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.057 -7.826 3.089 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.222 -8.149 1.820 1.00 0.00 H new ATOM 0 HE ARG A 10 13.569 -6.331 4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.940 -7.633 1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.576 -7.090 1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.686 -5.660 4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.987 -5.997 3.435 1.00 0.00 H new ATOM 147 N LEU A 11 8.551 -8.517 -0.559 1.00 0.00 N ATOM 148 CA LEU A 11 7.613 -8.744 -1.624 1.00 0.00 C ATOM 149 C LEU A 11 6.259 -8.738 -1.126 1.00 0.00 C ATOM 150 O LEU A 11 5.359 -8.359 -1.823 1.00 0.00 O ATOM 151 CB LEU A 11 7.901 -9.970 -2.435 1.00 0.00 C ATOM 152 CG LEU A 11 9.144 -9.819 -3.350 1.00 0.00 C ATOM 153 CD1 LEU A 11 10.468 -9.996 -2.694 1.00 0.00 C ATOM 154 CD2 LEU A 11 8.983 -10.468 -4.686 1.00 0.00 C ATOM 0 H LEU A 11 9.134 -9.324 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 11 7.732 -7.910 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.053 -10.815 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.032 -10.204 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 11 9.176 -8.753 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.260 -9.868 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.585 -9.254 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.531 -10.996 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.890 -10.323 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.804 -11.535 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.137 -10.020 -5.208 1.00 0.00 H new ATOM 166 N SER A 12 6.116 -9.110 0.106 1.00 0.00 N ATOM 167 CA SER A 12 4.841 -9.008 0.750 1.00 0.00 C ATOM 168 C SER A 12 4.370 -7.535 0.724 1.00 0.00 C ATOM 169 O SER A 12 3.275 -7.240 0.258 1.00 0.00 O ATOM 170 CB SER A 12 4.904 -9.560 2.171 1.00 0.00 C ATOM 171 OG SER A 12 3.720 -9.392 2.889 1.00 0.00 O ATOM 0 H SER A 12 6.864 -9.487 0.688 1.00 0.00 H new ATOM 0 HA SER A 12 4.112 -9.612 0.210 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.146 -10.622 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.717 -9.069 2.707 1.00 0.00 H new ATOM 0 HG SER A 12 2.955 -9.583 2.307 1.00 0.00 H new ATOM 177 N ILE A 13 5.228 -6.622 1.184 1.00 0.00 N ATOM 178 CA ILE A 13 4.889 -5.164 1.099 1.00 0.00 C ATOM 179 C ILE A 13 4.847 -4.716 -0.281 1.00 0.00 C ATOM 180 O ILE A 13 4.045 -3.937 -0.591 1.00 0.00 O ATOM 181 CB ILE A 13 5.779 -4.137 1.756 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.802 -4.754 2.502 1.00 0.00 C ATOM 183 CG2 ILE A 13 4.946 -3.193 2.618 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.767 -3.797 3.020 1.00 0.00 C ATOM 0 H ILE A 13 6.132 -6.834 1.606 1.00 0.00 H new ATOM 0 HA ILE A 13 3.948 -5.184 1.648 1.00 0.00 H new ATOM 0 HB ILE A 13 6.262 -3.547 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.360 -5.305 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.317 -5.481 1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.599 -2.457 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.212 -2.682 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.431 -3.765 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.534 -4.324 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.231 -3.263 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.260 -3.085 3.671 1.00 0.00 H new ATOM 196 N GLN A 14 5.801 -5.116 -1.091 1.00 0.00 N ATOM 197 CA GLN A 14 5.764 -4.811 -2.496 1.00 0.00 C ATOM 198 C GLN A 14 4.377 -5.086 -3.069 1.00 0.00 C ATOM 199 O GLN A 14 3.869 -4.300 -3.768 1.00 0.00 O ATOM 200 CB GLN A 14 6.798 -5.596 -3.270 1.00 0.00 C ATOM 201 CG GLN A 14 7.025 -5.005 -4.598 1.00 0.00 C ATOM 202 CD GLN A 14 7.937 -5.797 -5.495 1.00 0.00 C ATOM 203 OE1 GLN A 14 9.142 -5.597 -5.500 1.00 0.00 O ATOM 204 NE2 GLN A 14 7.373 -6.653 -6.293 1.00 0.00 N ATOM 0 H GLN A 14 6.614 -5.656 -0.795 1.00 0.00 H new ATOM 0 HA GLN A 14 5.996 -3.751 -2.600 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.735 -5.618 -2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.468 -6.629 -3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.063 -4.886 -5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.443 -4.007 -4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.363 -6.793 -6.260 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.940 -7.185 -6.953 1.00 0.00 H new ATOM 213 N ARG A 15 3.791 -6.186 -2.692 1.00 0.00 N ATOM 214 CA ARG A 15 2.418 -6.564 -3.081 1.00 0.00 C ATOM 215 C ARG A 15 1.361 -5.775 -2.397 1.00 0.00 C ATOM 216 O ARG A 15 0.281 -5.575 -2.917 1.00 0.00 O ATOM 217 CB ARG A 15 2.215 -7.955 -2.764 1.00 0.00 C ATOM 218 CG ARG A 15 3.113 -8.797 -3.647 1.00 0.00 C ATOM 219 CD ARG A 15 2.725 -10.246 -3.594 1.00 0.00 C ATOM 220 NE ARG A 15 3.438 -11.017 -2.543 1.00 0.00 N ATOM 221 CZ ARG A 15 3.069 -11.167 -1.259 1.00 0.00 C ATOM 222 NH1 ARG A 15 2.065 -10.470 -0.770 1.00 0.00 N ATOM 223 NH2 ARG A 15 3.737 -11.995 -0.466 1.00 0.00 N ATOM 0 H ARG A 15 4.245 -6.875 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 15 2.330 -6.362 -4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.440 -8.139 -1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.171 -8.228 -2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.054 -8.440 -4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.149 -8.684 -3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.651 -10.319 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.923 -10.702 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 15 4.300 -11.483 -2.826 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.563 -9.812 -1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.789 -10.588 0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.532 -12.519 -0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.455 -12.107 0.508 1.00 0.00 H new ATOM 237 N ALA A 16 1.686 -5.360 -1.257 1.00 0.00 N ATOM 238 CA ALA A 16 0.867 -4.568 -0.408 1.00 0.00 C ATOM 239 C ALA A 16 0.782 -3.220 -1.020 1.00 0.00 C ATOM 240 O ALA A 16 -0.273 -2.665 -1.185 1.00 0.00 O ATOM 241 CB ALA A 16 1.512 -4.593 0.968 1.00 0.00 C ATOM 0 H ALA A 16 2.595 -5.569 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.155 -4.931 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.917 -3.996 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.563 -5.621 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.519 -4.180 0.905 1.00 0.00 H new ATOM 247 N ILE A 17 1.907 -2.776 -1.429 1.00 0.00 N ATOM 248 CA ILE A 17 2.082 -1.607 -2.157 1.00 0.00 C ATOM 249 C ILE A 17 1.522 -1.725 -3.531 1.00 0.00 C ATOM 250 O ILE A 17 0.853 -0.905 -3.916 1.00 0.00 O ATOM 251 CB ILE A 17 3.507 -1.288 -2.341 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.161 -0.959 -1.102 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.596 -0.156 -3.225 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.583 -1.003 -1.196 1.00 0.00 C ATOM 0 H ILE A 17 2.784 -3.263 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 17 1.571 -0.834 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 17 4.005 -2.167 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.853 0.039 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.832 -1.652 -0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.643 0.103 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.139 -0.405 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.074 0.693 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.020 -0.746 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.898 -2.007 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.920 -0.290 -1.948 1.00 0.00 H new ATOM 266 N GLN A 18 1.897 -2.737 -4.290 1.00 0.00 N ATOM 267 CA GLN A 18 1.413 -2.891 -5.653 1.00 0.00 C ATOM 268 C GLN A 18 -0.036 -2.952 -5.645 1.00 0.00 C ATOM 269 O GLN A 18 -0.646 -2.432 -6.520 1.00 0.00 O ATOM 270 CB GLN A 18 1.974 -4.125 -6.339 1.00 0.00 C ATOM 271 CG GLN A 18 3.448 -3.987 -6.716 1.00 0.00 C ATOM 272 CD GLN A 18 4.038 -5.233 -7.334 1.00 0.00 C ATOM 273 OE1 GLN A 18 4.559 -6.109 -6.635 1.00 0.00 O ATOM 274 NE2 GLN A 18 3.997 -5.327 -8.634 1.00 0.00 N ATOM 0 H GLN A 18 2.539 -3.469 -3.986 1.00 0.00 H new ATOM 0 HA GLN A 18 1.756 -2.026 -6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.853 -4.985 -5.681 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.393 -4.328 -7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.559 -3.158 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.019 -3.730 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.560 -4.588 -9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.402 -6.139 -9.100 1.00 0.00 H new ATOM 283 N SER A 19 -0.601 -3.554 -4.631 1.00 0.00 N ATOM 284 CA SER A 19 -2.002 -3.505 -4.521 1.00 0.00 C ATOM 285 C SER A 19 -2.442 -2.171 -4.201 1.00 0.00 C ATOM 286 O SER A 19 -3.324 -1.692 -4.820 1.00 0.00 O ATOM 287 CB SER A 19 -2.546 -4.470 -3.575 1.00 0.00 C ATOM 288 OG SER A 19 -2.211 -5.761 -4.000 1.00 0.00 O ATOM 0 H SER A 19 -0.113 -4.067 -3.897 1.00 0.00 H new ATOM 0 HA SER A 19 -2.393 -3.787 -5.499 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.147 -4.286 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.629 -4.364 -3.509 1.00 0.00 H new ATOM 0 HG SER A 19 -1.347 -6.018 -3.616 1.00 0.00 H new ATOM 294 N LEU A 20 -1.801 -1.565 -3.274 1.00 0.00 N ATOM 295 CA LEU A 20 -2.100 -0.281 -2.876 1.00 0.00 C ATOM 296 C LEU A 20 -1.961 0.760 -4.000 1.00 0.00 C ATOM 297 O LEU A 20 -2.843 1.565 -4.210 1.00 0.00 O ATOM 298 CB LEU A 20 -1.242 0.097 -1.766 1.00 0.00 C ATOM 299 CG LEU A 20 -1.693 1.199 -1.135 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.606 0.773 -0.040 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.599 2.070 -0.814 1.00 0.00 C ATOM 0 H LEU A 20 -1.025 -1.985 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.148 -0.286 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.181 -0.728 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.232 0.277 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.313 1.836 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.982 1.652 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.443 0.216 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.063 0.139 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.977 2.956 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.102 1.548 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.090 2.368 -1.731 1.00 0.00 H new ATOM 313 N VAL A 21 -0.850 0.720 -4.673 1.00 0.00 N ATOM 314 CA VAL A 21 -0.518 1.536 -5.760 1.00 0.00 C ATOM 315 C VAL A 21 -1.526 1.338 -6.844 1.00 0.00 C ATOM 316 O VAL A 21 -2.013 2.266 -7.412 1.00 0.00 O ATOM 317 CB VAL A 21 0.909 1.218 -6.333 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.966 1.751 -7.705 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.061 1.779 -5.450 1.00 0.00 C ATOM 0 H VAL A 21 -0.108 0.059 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.514 2.567 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 21 1.060 0.139 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.947 1.547 -8.134 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.197 1.274 -8.313 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.796 2.827 -7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.021 1.526 -5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.969 2.863 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.001 1.342 -4.453 1.00 0.00 H new ATOM 329 N HIS A 22 -1.809 0.120 -7.095 1.00 0.00 N ATOM 330 CA HIS A 22 -2.777 -0.272 -8.097 1.00 0.00 C ATOM 331 C HIS A 22 -4.069 0.187 -7.687 1.00 0.00 C ATOM 332 O HIS A 22 -4.725 0.696 -8.411 1.00 0.00 O ATOM 333 CB HIS A 22 -2.778 -1.746 -8.215 1.00 0.00 C ATOM 334 CG HIS A 22 -3.668 -2.368 -9.260 1.00 0.00 C ATOM 335 ND1 HIS A 22 -3.196 -2.857 -10.455 1.00 0.00 N ATOM 336 CD2 HIS A 22 -4.991 -2.631 -9.252 1.00 0.00 C ATOM 337 CE1 HIS A 22 -4.189 -3.389 -11.133 1.00 0.00 C ATOM 338 NE2 HIS A 22 -5.288 -3.263 -10.424 1.00 0.00 N ATOM 0 H HIS A 22 -1.376 -0.667 -6.611 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.525 0.164 -9.064 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.755 -2.067 -8.413 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.060 -2.159 -7.246 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.687 -2.386 -8.463 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.114 -3.851 -12.106 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.214 -3.586 -10.705 1.00 0.00 H new ATOM 347 N ALA A 23 -4.371 0.032 -6.495 1.00 0.00 N ATOM 348 CA ALA A 23 -5.624 0.438 -5.955 1.00 0.00 C ATOM 349 C ALA A 23 -5.780 1.948 -6.102 1.00 0.00 C ATOM 350 O ALA A 23 -6.835 2.459 -6.429 1.00 0.00 O ATOM 351 CB ALA A 23 -5.649 -0.033 -4.506 1.00 0.00 C ATOM 0 H ALA A 23 -3.748 -0.397 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.470 -0.002 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.594 0.256 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.546 -1.118 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.825 0.426 -3.960 1.00 0.00 H new ATOM 357 N ALA A 24 -4.711 2.593 -5.965 1.00 0.00 N ATOM 358 CA ALA A 24 -4.632 3.984 -6.077 1.00 0.00 C ATOM 359 C ALA A 24 -4.753 4.411 -7.508 1.00 0.00 C ATOM 360 O ALA A 24 -5.527 5.297 -7.865 1.00 0.00 O ATOM 361 CB ALA A 24 -3.289 4.336 -5.596 1.00 0.00 C ATOM 0 H ALA A 24 -3.816 2.149 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.430 4.468 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.153 5.416 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.176 4.011 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.540 3.842 -6.215 1.00 0.00 H new ATOM 367 N GLN A 25 -3.990 3.760 -8.304 1.00 0.00 N ATOM 368 CA GLN A 25 -3.811 4.098 -9.654 1.00 0.00 C ATOM 369 C GLN A 25 -4.905 3.502 -10.541 1.00 0.00 C ATOM 370 O GLN A 25 -5.219 4.033 -11.617 1.00 0.00 O ATOM 371 CB GLN A 25 -2.464 3.577 -10.090 1.00 0.00 C ATOM 372 CG GLN A 25 -2.033 4.082 -11.399 1.00 0.00 C ATOM 373 CD GLN A 25 -1.043 3.164 -12.138 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.072 3.108 -13.367 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.119 2.502 -11.441 1.00 0.00 N ATOM 0 H GLN A 25 -3.453 2.943 -8.014 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.866 5.182 -9.757 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.719 3.849 -9.342 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.499 2.488 -10.124 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.912 4.228 -12.026 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.572 5.060 -11.264 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.110 2.560 -10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.579 1.938 -11.926 1.00 0.00 H new ATOM 384 N CYS A 26 -5.474 2.423 -10.093 1.00 0.00 N ATOM 385 CA CYS A 26 -6.509 1.772 -10.782 1.00 0.00 C ATOM 386 C CYS A 26 -7.715 2.573 -10.459 1.00 0.00 C ATOM 387 O CYS A 26 -8.023 2.750 -9.283 1.00 0.00 O ATOM 388 CB CYS A 26 -6.701 0.310 -10.260 1.00 0.00 C ATOM 389 SG CYS A 26 -7.950 -0.671 -11.125 1.00 0.00 S ATOM 0 H CYS A 26 -5.213 1.973 -9.216 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.306 1.701 -11.851 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.745 -0.210 -10.329 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.966 0.352 -9.203 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.865 -1.912 -10.748 1.00 0.00 H new ATOM 395 N ARG A 27 -8.424 3.055 -11.404 1.00 0.00 N ATOM 396 CA ARG A 27 -9.496 3.868 -11.023 1.00 0.00 C ATOM 397 C ARG A 27 -10.703 3.422 -11.693 1.00 0.00 C ATOM 398 O ARG A 27 -11.080 3.794 -12.790 1.00 0.00 O ATOM 399 CB ARG A 27 -9.151 5.391 -11.091 1.00 0.00 C ATOM 400 CG ARG A 27 -8.545 5.892 -12.408 1.00 0.00 C ATOM 401 CD ARG A 27 -9.606 6.249 -13.409 1.00 0.00 C ATOM 402 NE ARG A 27 -10.350 7.439 -12.981 1.00 0.00 N ATOM 403 CZ ARG A 27 -11.383 7.989 -13.617 1.00 0.00 C ATOM 404 NH1 ARG A 27 -11.884 7.419 -14.707 1.00 0.00 N ATOM 405 NH2 ARG A 27 -11.918 9.106 -13.142 1.00 0.00 N ATOM 0 H ARG A 27 -8.288 2.908 -12.404 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.708 3.751 -9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.062 5.957 -10.896 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.454 5.620 -10.285 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.921 6.764 -12.213 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.895 5.123 -12.825 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.148 6.432 -14.381 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.292 5.411 -13.532 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.048 7.887 -12.116 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.478 6.554 -15.063 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.675 7.846 -15.188 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.538 9.535 -12.298 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.709 9.536 -13.621 1.00 0.00 H new ATOM 419 N ASN A 28 -11.199 2.480 -11.037 1.00 0.00 N ATOM 420 CA ASN A 28 -12.382 1.844 -11.276 1.00 0.00 C ATOM 421 C ASN A 28 -12.870 1.488 -9.890 1.00 0.00 C ATOM 422 O ASN A 28 -12.240 0.631 -9.257 1.00 0.00 O ATOM 423 CB ASN A 28 -11.996 0.624 -12.016 1.00 0.00 C ATOM 424 CG ASN A 28 -13.082 -0.058 -12.730 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.259 0.046 -12.374 1.00 0.00 O ATOM 426 ND2 ASN A 28 -12.706 -0.827 -13.705 1.00 0.00 N ATOM 0 H ASN A 28 -10.721 2.096 -10.222 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.137 2.401 -11.830 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.222 0.888 -12.737 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.550 -0.080 -11.313 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -13.396 -1.379 -14.214 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.720 -0.879 -13.962 1.00 0.00 H new ATOM 433 N ALA A 29 -13.866 2.123 -9.345 1.00 0.00 N ATOM 434 CA ALA A 29 -14.254 1.775 -7.978 1.00 0.00 C ATOM 435 C ALA A 29 -14.942 0.420 -7.930 1.00 0.00 C ATOM 436 O ALA A 29 -15.048 -0.207 -6.878 1.00 0.00 O ATOM 437 CB ALA A 29 -15.084 2.855 -7.336 1.00 0.00 C ATOM 0 H ALA A 29 -14.415 2.858 -9.790 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.340 1.696 -7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.350 2.555 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.512 3.782 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.992 3.011 -7.918 1.00 0.00 H new ATOM 443 N ASN A 30 -15.360 -0.024 -9.085 1.00 0.00 N ATOM 444 CA ASN A 30 -15.973 -1.299 -9.286 1.00 0.00 C ATOM 445 C ASN A 30 -15.124 -2.103 -10.206 1.00 0.00 C ATOM 446 O ASN A 30 -15.630 -2.796 -11.089 1.00 0.00 O ATOM 447 CB ASN A 30 -17.371 -1.142 -9.867 1.00 0.00 C ATOM 448 CG ASN A 30 -18.376 -0.565 -8.883 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.989 -1.307 -8.120 1.00 0.00 O ATOM 450 ND2 ASN A 30 -18.571 0.742 -8.879 1.00 0.00 N ATOM 0 H ASN A 30 -15.277 0.520 -9.944 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.064 -1.807 -8.326 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.321 -0.496 -10.744 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -17.726 -2.115 -10.208 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -19.243 1.155 -8.232 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.050 1.337 -9.522 1.00 0.00 H new ATOM 457 N CYS A 31 -13.802 -1.974 -10.046 1.00 0.00 N ATOM 458 CA CYS A 31 -12.920 -2.967 -10.613 1.00 0.00 C ATOM 459 C CYS A 31 -13.341 -4.128 -9.910 1.00 0.00 C ATOM 460 O CYS A 31 -13.437 -4.028 -8.649 1.00 0.00 O ATOM 461 CB CYS A 31 -11.455 -2.778 -10.164 1.00 0.00 C ATOM 462 SG CYS A 31 -10.312 -4.076 -10.699 1.00 0.00 S ATOM 0 H CYS A 31 -13.343 -1.214 -9.544 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.959 -2.961 -11.702 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.096 -1.821 -10.543 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.430 -2.720 -9.076 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.116 -3.807 -10.265 1.00 0.00 H new ATOM 468 N SER A 32 -13.593 -5.233 -10.523 1.00 0.00 N ATOM 469 CA SER A 32 -13.896 -6.124 -9.607 1.00 0.00 C ATOM 470 C SER A 32 -12.745 -7.031 -9.546 1.00 0.00 C ATOM 471 O SER A 32 -12.638 -8.045 -10.220 1.00 0.00 O ATOM 472 CB SER A 32 -15.182 -6.852 -10.069 1.00 0.00 C ATOM 473 OG SER A 32 -15.256 -6.904 -11.505 1.00 0.00 O ATOM 0 H SER A 32 -13.587 -5.472 -11.515 1.00 0.00 H new ATOM 0 HA SER A 32 -14.087 -5.700 -8.621 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.197 -7.864 -9.663 1.00 0.00 H new ATOM 0 HB3 SER A 32 -16.058 -6.337 -9.674 1.00 0.00 H new ATOM 0 HG SER A 32 -16.075 -7.370 -11.774 1.00 0.00 H new ATOM 479 N LEU A 33 -11.813 -6.539 -8.819 1.00 0.00 N ATOM 480 CA LEU A 33 -11.012 -7.067 -7.985 1.00 0.00 C ATOM 481 C LEU A 33 -11.420 -6.403 -6.676 1.00 0.00 C ATOM 482 O LEU A 33 -10.983 -5.315 -6.434 1.00 0.00 O ATOM 483 CB LEU A 33 -9.605 -6.845 -8.447 1.00 0.00 C ATOM 484 CG LEU A 33 -8.556 -7.295 -7.538 1.00 0.00 C ATOM 485 CD1 LEU A 33 -8.975 -8.455 -6.728 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.358 -7.598 -8.273 1.00 0.00 C ATOM 0 H LEU A 33 -11.630 -5.537 -8.875 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.057 -8.150 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.473 -7.352 -9.403 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.467 -5.779 -8.630 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.355 -6.479 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.160 -8.752 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.846 -8.186 -6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.229 -9.286 -7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.583 -7.933 -7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.565 -8.386 -8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.017 -6.705 -8.797 1.00 0.00 H new ATOM 498 N PRO A 34 -12.380 -6.886 -5.962 1.00 0.00 N ATOM 499 CA PRO A 34 -12.734 -6.371 -4.613 1.00 0.00 C ATOM 500 C PRO A 34 -11.613 -6.370 -3.667 1.00 0.00 C ATOM 501 O PRO A 34 -11.646 -5.696 -2.671 1.00 0.00 O ATOM 502 CB PRO A 34 -13.813 -7.276 -4.203 1.00 0.00 C ATOM 503 CG PRO A 34 -14.499 -7.448 -5.515 1.00 0.00 C ATOM 504 CD PRO A 34 -13.370 -7.774 -6.445 1.00 0.00 C ATOM 0 HA PRO A 34 -13.025 -5.321 -4.632 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.440 -8.217 -3.798 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.462 -6.838 -3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.239 -8.248 -5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.023 -6.542 -5.818 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.062 -8.817 -6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.624 -7.586 -7.488 1.00 0.00 H new ATOM 512 N SER A 35 -10.636 -7.098 -3.975 1.00 0.00 N ATOM 513 CA SER A 35 -9.448 -6.996 -3.262 1.00 0.00 C ATOM 514 C SER A 35 -8.630 -5.741 -3.733 1.00 0.00 C ATOM 515 O SER A 35 -7.928 -5.116 -2.920 1.00 0.00 O ATOM 516 CB SER A 35 -8.715 -8.305 -3.251 1.00 0.00 C ATOM 517 OG SER A 35 -9.452 -9.261 -2.522 1.00 0.00 O ATOM 0 H SER A 35 -10.634 -7.784 -4.730 1.00 0.00 H new ATOM 0 HA SER A 35 -9.650 -6.804 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.560 -8.654 -4.272 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.729 -8.176 -2.805 1.00 0.00 H new ATOM 0 HG SER A 35 -8.866 -9.696 -1.868 1.00 0.00 H new ATOM 523 N CYS A 36 -8.794 -5.296 -5.049 1.00 0.00 N ATOM 524 CA CYS A 36 -8.251 -4.041 -5.439 1.00 0.00 C ATOM 525 C CYS A 36 -9.028 -3.021 -4.683 1.00 0.00 C ATOM 526 O CYS A 36 -8.461 -2.156 -4.055 1.00 0.00 O ATOM 527 CB CYS A 36 -8.376 -3.686 -6.954 1.00 0.00 C ATOM 528 SG CYS A 36 -7.730 -2.056 -7.360 1.00 0.00 S ATOM 0 H CYS A 36 -9.285 -5.807 -5.783 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.181 -4.074 -5.234 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.845 -4.436 -7.541 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.425 -3.736 -7.246 1.00 0.00 H new ATOM 0 HG CYS A 36 -8.074 -1.743 -8.574 1.00 0.00 H new ATOM 534 N GLN A 37 -10.382 -3.201 -4.755 1.00 0.00 N ATOM 535 CA GLN A 37 -11.399 -2.393 -4.076 1.00 0.00 C ATOM 536 C GLN A 37 -11.045 -2.153 -2.747 1.00 0.00 C ATOM 537 O GLN A 37 -11.013 -1.055 -2.337 1.00 0.00 O ATOM 538 CB GLN A 37 -12.802 -2.994 -4.098 1.00 0.00 C ATOM 539 CG GLN A 37 -13.453 -3.148 -5.498 1.00 0.00 C ATOM 540 CD GLN A 37 -14.894 -3.580 -5.388 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.271 -4.279 -4.465 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.705 -3.142 -6.296 1.00 0.00 N ATOM 0 H GLN A 37 -10.793 -3.948 -5.315 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.433 -1.464 -4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.763 -3.976 -3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.452 -2.372 -3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.395 -2.201 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.895 -3.880 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.354 -2.558 -7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.696 -3.380 -6.253 1.00 0.00 H new ATOM 551 N LYS A 38 -10.769 -3.148 -2.104 1.00 0.00 N ATOM 552 CA LYS A 38 -10.439 -3.099 -0.808 1.00 0.00 C ATOM 553 C LYS A 38 -9.217 -2.221 -0.491 1.00 0.00 C ATOM 554 O LYS A 38 -9.266 -1.398 0.376 1.00 0.00 O ATOM 555 CB LYS A 38 -10.185 -4.419 -0.410 1.00 0.00 C ATOM 556 CG LYS A 38 -9.383 -4.453 0.763 1.00 0.00 C ATOM 557 CD LYS A 38 -9.767 -5.463 1.651 1.00 0.00 C ATOM 558 CE LYS A 38 -9.725 -6.816 1.050 1.00 0.00 C ATOM 559 NZ LYS A 38 -10.010 -7.856 2.048 1.00 0.00 N ATOM 0 H LYS A 38 -10.767 -4.089 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.265 -2.638 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.127 -4.934 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.681 -4.954 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.340 -4.600 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.444 -3.489 1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.113 -5.439 2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.778 -5.261 2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.452 -6.878 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.743 -6.990 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.973 -8.791 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.302 -7.811 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.958 -7.703 2.448 1.00 0.00 H new ATOM 573 N MET A 39 -8.137 -2.462 -1.184 1.00 0.00 N ATOM 574 CA MET A 39 -6.874 -1.755 -0.947 1.00 0.00 C ATOM 575 C MET A 39 -7.054 -0.296 -1.208 1.00 0.00 C ATOM 576 O MET A 39 -6.550 0.576 -0.533 1.00 0.00 O ATOM 577 CB MET A 39 -5.822 -2.246 -1.915 1.00 0.00 C ATOM 578 CG MET A 39 -5.057 -3.433 -1.488 1.00 0.00 C ATOM 579 SD MET A 39 -3.541 -3.075 -0.569 1.00 0.00 S ATOM 580 CE MET A 39 -4.126 -1.976 0.660 1.00 0.00 C ATOM 0 H MET A 39 -8.092 -3.152 -1.934 1.00 0.00 H new ATOM 0 HA MET A 39 -6.572 -1.935 0.085 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.307 -2.473 -2.864 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.120 -1.433 -2.102 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.700 -4.058 -0.869 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.799 -4.018 -2.371 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.283 -1.589 1.233 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.653 -1.148 0.186 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.806 -2.505 1.327 1.00 0.00 H new ATOM 590 N LYS A 40 -7.740 -0.117 -2.228 1.00 0.00 N ATOM 591 CA LYS A 40 -8.185 1.099 -2.793 1.00 0.00 C ATOM 592 C LYS A 40 -8.992 1.826 -1.745 1.00 0.00 C ATOM 593 O LYS A 40 -8.750 2.916 -1.443 1.00 0.00 O ATOM 594 CB LYS A 40 -9.111 0.647 -3.808 1.00 0.00 C ATOM 595 CG LYS A 40 -9.098 1.298 -5.053 1.00 0.00 C ATOM 596 CD LYS A 40 -10.036 0.560 -5.955 1.00 0.00 C ATOM 597 CE LYS A 40 -9.695 0.744 -7.369 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.144 2.045 -7.854 1.00 0.00 N ATOM 0 H LYS A 40 -8.059 -0.914 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.385 1.743 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.922 -0.412 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.119 0.728 -3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.408 2.338 -4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.091 1.307 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.013 -0.502 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.055 0.905 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.617 0.656 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.154 -0.047 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.489 2.388 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.098 1.954 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.166 2.721 -7.064 1.00 0.00 H new ATOM 612 N ARG A 41 -9.869 1.058 -1.123 1.00 0.00 N ATOM 613 CA ARG A 41 -10.809 1.429 -0.027 1.00 0.00 C ATOM 614 C ARG A 41 -10.106 1.583 1.195 1.00 0.00 C ATOM 615 O ARG A 41 -10.659 1.967 2.163 1.00 0.00 O ATOM 616 CB ARG A 41 -11.797 0.380 0.161 1.00 0.00 C ATOM 617 CG ARG A 41 -12.969 0.490 -0.791 1.00 0.00 C ATOM 618 CD ARG A 41 -13.984 -0.547 -0.489 1.00 0.00 C ATOM 619 NE ARG A 41 -14.977 -0.695 -1.581 1.00 0.00 N ATOM 620 CZ ARG A 41 -15.879 -1.702 -1.705 1.00 0.00 C ATOM 621 NH1 ARG A 41 -16.031 -2.607 -0.742 1.00 0.00 N ATOM 622 NH2 ARG A 41 -16.639 -1.779 -2.796 1.00 0.00 N ATOM 0 H ARG A 41 -9.967 0.075 -1.376 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.294 2.365 -0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.318 -0.590 0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.165 0.415 1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.418 1.480 -0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.622 0.379 -1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.486 -1.502 -0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.500 -0.289 0.436 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.983 0.025 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.465 -2.550 0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.713 -3.358 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.542 -1.083 -3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.318 -2.534 -2.892 1.00 0.00 H new ATOM 636 N VAL A 42 -8.915 1.142 1.175 1.00 0.00 N ATOM 637 CA VAL A 42 -8.051 1.272 2.195 1.00 0.00 C ATOM 638 C VAL A 42 -7.286 2.581 2.102 1.00 0.00 C ATOM 639 O VAL A 42 -7.171 3.311 3.085 1.00 0.00 O ATOM 640 CB VAL A 42 -7.280 0.003 2.502 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.838 0.279 2.748 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.948 -0.538 3.687 1.00 0.00 C ATOM 0 H VAL A 42 -8.522 0.650 0.373 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.607 1.380 3.126 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.284 -0.701 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.320 -0.656 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.400 0.740 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.737 0.955 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.459 -1.464 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.889 0.186 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.994 -0.739 3.455 1.00 0.00 H new ATOM 652 N VAL A 43 -6.827 2.895 0.904 1.00 0.00 N ATOM 653 CA VAL A 43 -6.397 4.195 0.544 1.00 0.00 C ATOM 654 C VAL A 43 -7.500 5.135 0.876 1.00 0.00 C ATOM 655 O VAL A 43 -7.354 6.075 1.622 1.00 0.00 O ATOM 656 CB VAL A 43 -6.136 4.221 -0.979 1.00 0.00 C ATOM 657 CG1 VAL A 43 -6.003 5.612 -1.470 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.934 3.301 -1.406 1.00 0.00 C ATOM 0 H VAL A 43 -6.749 2.217 0.146 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.485 4.475 1.072 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.010 3.790 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.820 5.603 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.922 6.160 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.169 6.098 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.797 3.359 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.025 3.635 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.146 2.270 -1.122 1.00 0.00 H new ATOM 668 N GLN A 44 -8.605 4.798 0.413 1.00 0.00 N ATOM 669 CA GLN A 44 -9.730 5.569 0.572 1.00 0.00 C ATOM 670 C GLN A 44 -10.224 5.535 2.053 1.00 0.00 C ATOM 671 O GLN A 44 -10.781 6.543 2.568 1.00 0.00 O ATOM 672 CB GLN A 44 -10.731 5.138 -0.486 1.00 0.00 C ATOM 673 CG GLN A 44 -10.147 5.374 -1.884 1.00 0.00 C ATOM 674 CD GLN A 44 -10.293 6.797 -2.425 1.00 0.00 C ATOM 675 OE1 GLN A 44 -10.338 6.998 -3.636 1.00 0.00 O ATOM 676 NE2 GLN A 44 -10.436 7.777 -1.563 1.00 0.00 N ATOM 0 H GLN A 44 -8.760 3.937 -0.112 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.539 6.629 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.977 4.084 -0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.659 5.698 -0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.088 5.118 -1.865 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.628 4.688 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.395 7.586 -0.562 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.588 8.730 -1.894 1.00 0.00 H new ATOM 685 N HIS A 45 -9.894 4.424 2.777 1.00 0.00 N ATOM 686 CA HIS A 45 -10.295 4.294 4.187 1.00 0.00 C ATOM 687 C HIS A 45 -9.578 5.248 4.947 1.00 0.00 C ATOM 688 O HIS A 45 -10.161 5.975 5.698 1.00 0.00 O ATOM 689 CB HIS A 45 -10.097 2.900 4.825 1.00 0.00 C ATOM 690 CG HIS A 45 -10.682 2.731 6.207 1.00 0.00 C ATOM 691 ND1 HIS A 45 -9.917 2.684 7.359 1.00 0.00 N ATOM 692 CD2 HIS A 45 -11.958 2.541 6.603 1.00 0.00 C ATOM 693 CE1 HIS A 45 -10.706 2.468 8.396 1.00 0.00 C ATOM 694 NE2 HIS A 45 -11.941 2.379 7.966 1.00 0.00 N ATOM 0 H HIS A 45 -9.366 3.633 2.408 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.372 4.459 4.197 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.540 2.152 4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -9.029 2.690 4.873 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -12.830 2.520 5.966 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.387 2.380 9.424 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -12.760 2.215 8.552 1.00 0.00 H new ATOM 703 N THR A 46 -8.308 5.246 4.735 1.00 0.00 N ATOM 704 CA THR A 46 -7.447 6.122 5.410 1.00 0.00 C ATOM 705 C THR A 46 -7.911 7.518 5.286 1.00 0.00 C ATOM 706 O THR A 46 -8.165 8.137 6.264 1.00 0.00 O ATOM 707 CB THR A 46 -5.936 5.971 4.993 1.00 0.00 C ATOM 708 OG1 THR A 46 -5.138 6.508 5.947 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.505 6.653 3.753 1.00 0.00 C ATOM 0 H THR A 46 -7.842 4.622 4.076 1.00 0.00 H new ATOM 0 HA THR A 46 -7.486 5.837 6.461 1.00 0.00 H new ATOM 0 HB THR A 46 -5.847 4.895 4.845 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.200 6.424 5.675 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.444 6.466 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.079 6.270 2.909 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.674 7.725 3.850 1.00 0.00 H new ATOM 717 N LYS A 47 -8.157 7.959 4.105 1.00 0.00 N ATOM 718 CA LYS A 47 -8.323 9.357 3.857 1.00 0.00 C ATOM 719 C LYS A 47 -9.549 9.895 4.515 1.00 0.00 C ATOM 720 O LYS A 47 -9.522 11.006 5.042 1.00 0.00 O ATOM 721 CB LYS A 47 -8.428 9.567 2.433 1.00 0.00 C ATOM 722 CG LYS A 47 -7.315 8.925 1.619 1.00 0.00 C ATOM 723 CD LYS A 47 -7.353 9.352 0.187 1.00 0.00 C ATOM 724 CE LYS A 47 -6.289 10.358 -0.009 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.356 11.028 -1.324 1.00 0.00 N ATOM 0 H LYS A 47 -8.250 7.367 3.280 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.460 9.880 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.385 9.174 2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.434 10.639 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.350 9.190 2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.403 7.840 1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.197 8.497 -0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.328 9.772 -0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.359 11.109 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.318 9.875 0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.584 11.721 -1.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.261 10.320 -2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.270 11.515 -1.419 1.00 0.00 H new ATOM 739 N GLY A 48 -10.609 9.126 4.517 1.00 0.00 N ATOM 740 CA GLY A 48 -11.760 9.601 5.218 1.00 0.00 C ATOM 741 C GLY A 48 -11.592 9.371 6.696 1.00 0.00 C ATOM 742 O GLY A 48 -12.260 9.998 7.513 1.00 0.00 O ATOM 0 H GLY A 48 -10.695 8.216 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.904 10.663 5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.652 9.087 4.860 1.00 0.00 H new ATOM 746 N CYS A 49 -10.684 8.490 7.035 1.00 0.00 N ATOM 747 CA CYS A 49 -10.444 8.134 8.422 1.00 0.00 C ATOM 748 C CYS A 49 -9.269 8.873 9.032 1.00 0.00 C ATOM 749 O CYS A 49 -8.320 8.252 9.217 1.00 0.00 O ATOM 750 CB CYS A 49 -10.246 6.582 8.598 1.00 0.00 C ATOM 751 SG CYS A 49 -11.739 5.651 8.226 1.00 0.00 S ATOM 0 H CYS A 49 -10.091 7.999 6.366 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.340 8.443 8.960 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.440 6.246 7.946 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.936 6.372 9.622 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.751 5.337 6.965 1.00 0.00 H new ATOM 757 N LYS A 50 -9.335 10.176 9.423 1.00 0.00 N ATOM 758 CA LYS A 50 -8.082 10.878 10.026 1.00 0.00 C ATOM 759 C LYS A 50 -7.601 10.304 11.333 1.00 0.00 C ATOM 760 O LYS A 50 -6.447 10.579 11.879 1.00 0.00 O ATOM 761 CB LYS A 50 -8.083 12.360 10.009 1.00 0.00 C ATOM 762 CG LYS A 50 -7.319 12.949 8.829 1.00 0.00 C ATOM 763 CD LYS A 50 -8.020 12.756 7.478 1.00 0.00 C ATOM 764 CE LYS A 50 -9.368 13.463 7.429 1.00 0.00 C ATOM 765 NZ LYS A 50 -9.964 13.455 6.078 1.00 0.00 N ATOM 0 H LYS A 50 -10.168 10.761 9.354 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.321 10.615 9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.113 12.716 9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.645 12.728 10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.169 14.015 9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.331 12.492 8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.382 13.137 6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.162 11.691 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.053 12.981 8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.246 14.494 7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.993 13.322 6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.765 14.360 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.554 12.677 5.522 1.00 0.00 H new ATOM 779 N ARG A 51 -8.367 9.356 11.759 1.00 0.00 N ATOM 780 CA ARG A 51 -7.975 8.504 12.796 1.00 0.00 C ATOM 781 C ARG A 51 -6.783 7.638 12.318 1.00 0.00 C ATOM 782 O ARG A 51 -6.237 6.850 13.094 1.00 0.00 O ATOM 783 CB ARG A 51 -9.087 7.636 13.381 1.00 0.00 C ATOM 784 CG ARG A 51 -10.258 8.367 14.017 1.00 0.00 C ATOM 785 CD ARG A 51 -9.895 9.187 15.246 1.00 0.00 C ATOM 786 NE ARG A 51 -11.115 9.746 15.843 1.00 0.00 N ATOM 787 CZ ARG A 51 -11.244 10.315 17.053 1.00 0.00 C ATOM 788 NH1 ARG A 51 -10.187 10.487 17.851 1.00 0.00 N ATOM 789 NH2 ARG A 51 -12.448 10.709 17.457 1.00 0.00 N ATOM 0 H ARG A 51 -9.294 9.160 11.381 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.678 9.147 13.624 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.475 6.998 12.587 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.647 6.979 14.132 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.705 9.027 13.274 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.019 7.637 14.294 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.376 8.562 15.973 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.212 9.990 14.971 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.960 9.697 15.274 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.262 10.184 17.545 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.304 10.921 18.767 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.258 10.578 16.851 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.562 11.143 18.373 1.00 0.00 H new ATOM 803 N LYS A 52 -6.425 7.830 11.023 1.00 0.00 N ATOM 804 CA LYS A 52 -5.471 7.103 10.282 1.00 0.00 C ATOM 805 C LYS A 52 -4.281 6.783 11.092 1.00 0.00 C ATOM 806 O LYS A 52 -4.078 5.622 11.483 1.00 0.00 O ATOM 807 CB LYS A 52 -4.957 8.075 9.165 1.00 0.00 C ATOM 808 CG LYS A 52 -5.870 8.434 8.081 1.00 0.00 C ATOM 809 CD LYS A 52 -5.220 9.486 7.213 1.00 0.00 C ATOM 810 CE LYS A 52 -5.774 9.573 5.953 1.00 0.00 C ATOM 811 NZ LYS A 52 -5.162 10.650 5.205 1.00 0.00 N ATOM 0 H LYS A 52 -6.855 8.566 10.463 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.930 6.183 9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.638 8.998 9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.070 7.627 8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.112 7.553 7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.808 8.811 8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.302 10.455 7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.157 9.264 7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.637 8.630 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.848 9.741 6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.689 10.802 4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.180 11.521 5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.177 10.402 4.982 1.00 0.00 H new ATOM 825 N THR A 53 -3.502 7.742 11.369 1.00 0.00 N ATOM 826 CA THR A 53 -2.581 7.618 12.295 1.00 0.00 C ATOM 827 C THR A 53 -3.059 8.093 13.673 1.00 0.00 C ATOM 828 O THR A 53 -2.684 7.502 14.684 1.00 0.00 O ATOM 829 CB THR A 53 -1.225 8.090 11.804 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.366 9.386 11.195 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.731 7.082 10.748 1.00 0.00 C ATOM 0 H THR A 53 -3.527 8.653 10.912 1.00 0.00 H new ATOM 0 HA THR A 53 -2.403 6.560 12.489 1.00 0.00 H new ATOM 0 HB THR A 53 -0.518 8.158 12.631 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.492 9.695 10.878 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.244 7.395 10.375 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.647 6.094 11.200 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.441 7.044 9.921 1.00 0.00 H new ATOM 839 N ASN A 54 -4.013 9.126 13.704 1.00 0.00 N ATOM 840 CA ASN A 54 -4.321 9.806 14.983 1.00 0.00 C ATOM 841 C ASN A 54 -4.919 8.869 16.028 1.00 0.00 C ATOM 842 O ASN A 54 -4.621 8.971 17.214 1.00 0.00 O ATOM 843 CB ASN A 54 -5.246 10.995 14.765 1.00 0.00 C ATOM 844 CG ASN A 54 -5.353 11.910 15.987 1.00 0.00 C ATOM 845 OD1 ASN A 54 -4.408 12.041 16.771 1.00 0.00 O ATOM 846 ND2 ASN A 54 -6.473 12.568 16.140 1.00 0.00 N ATOM 0 H ASN A 54 -4.534 9.464 12.895 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.366 10.159 15.371 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.886 11.575 13.915 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.240 10.631 14.504 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.584 13.211 16.924 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.236 12.438 15.475 1.00 0.00 H new ATOM 853 N GLY A 55 -5.717 7.935 15.588 1.00 0.00 N ATOM 854 CA GLY A 55 -6.364 7.044 16.507 1.00 0.00 C ATOM 855 C GLY A 55 -5.742 5.676 16.509 1.00 0.00 C ATOM 856 O GLY A 55 -6.209 4.781 17.211 1.00 0.00 O ATOM 0 H GLY A 55 -5.933 7.773 14.604 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.316 7.464 17.512 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.419 6.961 16.247 1.00 0.00 H new ATOM 860 N GLY A 56 -4.684 5.509 15.736 1.00 0.00 N ATOM 861 CA GLY A 56 -4.059 4.242 15.631 1.00 0.00 C ATOM 862 C GLY A 56 -4.919 3.285 14.957 1.00 0.00 C ATOM 863 O GLY A 56 -5.189 2.211 15.482 1.00 0.00 O ATOM 0 H GLY A 56 -4.254 6.247 15.179 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.122 4.341 15.084 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.810 3.873 16.626 1.00 0.00 H new ATOM 867 N CYS A 57 -5.383 3.652 13.813 1.00 0.00 N ATOM 868 CA CYS A 57 -6.164 2.723 13.084 1.00 0.00 C ATOM 869 C CYS A 57 -5.235 2.223 12.045 1.00 0.00 C ATOM 870 O CYS A 57 -5.227 2.803 10.929 1.00 0.00 O ATOM 871 CB CYS A 57 -7.441 3.370 12.417 1.00 0.00 C ATOM 872 SG CYS A 57 -8.546 2.204 11.579 1.00 0.00 S ATOM 0 H CYS A 57 -5.240 4.562 13.374 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.560 1.944 13.736 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.008 3.894 13.187 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.115 4.119 11.696 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.652 2.808 11.260 1.00 0.00 H new ATOM 878 N PRO A 58 -4.311 1.220 12.318 1.00 0.00 N ATOM 879 CA PRO A 58 -3.324 1.196 11.296 1.00 0.00 C ATOM 880 C PRO A 58 -3.627 0.320 10.076 1.00 0.00 C ATOM 881 O PRO A 58 -2.792 -0.486 9.677 1.00 0.00 O ATOM 882 CB PRO A 58 -2.455 0.168 12.073 1.00 0.00 C ATOM 883 CG PRO A 58 -3.541 -0.804 12.447 1.00 0.00 C ATOM 884 CD PRO A 58 -4.498 0.032 13.095 1.00 0.00 C ATOM 0 HA PRO A 58 -3.051 2.193 10.949 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.678 -0.282 11.455 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.959 0.603 12.941 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.962 -1.298 11.571 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.173 -1.588 13.109 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.513 -0.359 13.030 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.281 0.181 14.153 1.00 0.00 H new ATOM 892 N ILE A 59 -4.346 0.866 9.280 1.00 0.00 N ATOM 893 CA ILE A 59 -4.461 0.572 7.998 1.00 0.00 C ATOM 894 C ILE A 59 -3.681 1.488 7.289 1.00 0.00 C ATOM 895 O ILE A 59 -2.800 1.158 6.728 1.00 0.00 O ATOM 896 CB ILE A 59 -5.897 0.355 7.634 1.00 0.00 C ATOM 897 CG1 ILE A 59 -6.218 0.466 6.214 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.933 0.917 8.587 1.00 0.00 C ATOM 899 CD1 ILE A 59 -6.522 1.877 5.698 1.00 0.00 C ATOM 0 H ILE A 59 -4.953 1.639 9.553 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.048 -0.394 7.708 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.998 -0.715 7.816 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.382 0.064 5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.080 -0.168 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.932 0.694 8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.806 0.465 9.571 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.808 1.997 8.665 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.746 1.834 4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.381 2.283 6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.656 2.519 5.862 1.00 0.00 H new ATOM 911 N CYS A 60 -4.041 2.738 7.575 1.00 0.00 N ATOM 912 CA CYS A 60 -3.478 4.027 7.206 1.00 0.00 C ATOM 913 C CYS A 60 -2.113 4.155 7.664 1.00 0.00 C ATOM 914 O CYS A 60 -1.373 4.851 7.124 1.00 0.00 O ATOM 915 CB CYS A 60 -4.212 5.008 8.073 1.00 0.00 C ATOM 916 SG CYS A 60 -5.999 4.663 8.192 1.00 0.00 S ATOM 0 H CYS A 60 -4.862 2.884 8.162 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.542 4.163 6.126 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.778 4.995 9.073 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.068 6.013 7.676 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.252 4.066 9.319 1.00 0.00 H new ATOM 922 N LYS A 61 -1.867 3.592 8.744 1.00 0.00 N ATOM 923 CA LYS A 61 -0.619 3.648 9.329 1.00 0.00 C ATOM 924 C LYS A 61 0.213 2.679 8.703 1.00 0.00 C ATOM 925 O LYS A 61 1.319 2.992 8.330 1.00 0.00 O ATOM 926 CB LYS A 61 -0.708 3.391 10.730 1.00 0.00 C ATOM 927 CG LYS A 61 0.557 3.614 11.418 1.00 0.00 C ATOM 928 CD LYS A 61 0.486 2.917 12.719 1.00 0.00 C ATOM 929 CE LYS A 61 -0.757 3.265 13.592 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.587 2.769 14.973 1.00 0.00 N ATOM 0 H LYS A 61 -2.554 3.055 9.273 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.197 4.645 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.474 4.033 11.166 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.028 2.361 10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.388 3.233 10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.731 4.680 11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.493 1.842 12.538 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.386 3.151 13.288 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.906 4.345 13.605 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.651 2.825 13.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.427 3.013 15.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.468 1.736 14.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.254 3.209 15.399 1.00 0.00 H new ATOM 944 N GLN A 62 -0.298 1.473 8.539 1.00 0.00 N ATOM 945 CA GLN A 62 0.497 0.553 7.844 1.00 0.00 C ATOM 946 C GLN A 62 0.508 0.833 6.357 1.00 0.00 C ATOM 947 O GLN A 62 1.394 0.473 5.707 1.00 0.00 O ATOM 948 CB GLN A 62 0.198 -0.837 8.284 1.00 0.00 C ATOM 949 CG GLN A 62 0.496 -0.947 9.780 1.00 0.00 C ATOM 950 CD GLN A 62 0.156 -2.270 10.386 1.00 0.00 C ATOM 951 OE1 GLN A 62 -0.928 -2.462 10.891 1.00 0.00 O ATOM 952 NE2 GLN A 62 1.051 -3.188 10.350 1.00 0.00 N ATOM 0 H GLN A 62 -1.207 1.146 8.865 1.00 0.00 H new ATOM 0 HA GLN A 62 1.547 0.680 8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.846 -1.080 8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.803 -1.550 7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.556 -0.750 9.942 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.057 -0.168 10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.956 -3.001 9.919 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.857 -4.105 10.753 1.00 0.00 H new ATOM 961 N LEU A 63 -0.492 1.521 5.911 1.00 0.00 N ATOM 962 CA LEU A 63 -0.655 2.102 4.601 1.00 0.00 C ATOM 963 C LEU A 63 0.236 3.292 4.391 1.00 0.00 C ATOM 964 O LEU A 63 0.816 3.365 3.426 1.00 0.00 O ATOM 965 CB LEU A 63 -2.089 2.438 4.380 1.00 0.00 C ATOM 966 CG LEU A 63 -2.446 3.430 3.376 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.902 3.042 2.076 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.869 3.423 3.292 1.00 0.00 C ATOM 0 H LEU A 63 -1.298 1.714 6.506 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.348 1.365 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.605 1.513 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.496 2.777 5.333 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.053 4.411 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.173 3.789 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.816 2.973 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.310 2.074 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.193 4.152 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.211 2.430 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.292 3.681 4.263 1.00 0.00 H new ATOM 980 N ILE A 64 0.265 4.256 5.278 1.00 0.00 N ATOM 981 CA ILE A 64 1.274 5.329 5.234 1.00 0.00 C ATOM 982 C ILE A 64 2.614 4.707 5.209 1.00 0.00 C ATOM 983 O ILE A 64 3.455 5.125 4.482 1.00 0.00 O ATOM 984 CB ILE A 64 1.193 6.287 6.479 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.098 7.361 6.355 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.548 6.804 6.962 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.114 8.425 7.436 1.00 0.00 C ATOM 0 H ILE A 64 -0.396 4.335 6.051 1.00 0.00 H new ATOM 0 HA ILE A 64 1.085 5.927 4.343 1.00 0.00 H new ATOM 0 HB ILE A 64 0.858 5.655 7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.198 7.849 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.875 6.869 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.403 7.457 7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.178 5.962 7.248 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.031 7.363 6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.695 9.134 7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.020 7.956 8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.069 8.951 7.415 1.00 0.00 H new ATOM 999 N ALA A 65 2.790 3.738 6.046 1.00 0.00 N ATOM 1000 CA ALA A 65 3.964 2.981 6.074 1.00 0.00 C ATOM 1001 C ALA A 65 4.202 2.430 4.691 1.00 0.00 C ATOM 1002 O ALA A 65 5.149 2.775 4.022 1.00 0.00 O ATOM 1003 CB ALA A 65 3.773 1.859 7.036 1.00 0.00 C ATOM 0 H ALA A 65 2.096 3.457 6.739 1.00 0.00 H new ATOM 0 HA ALA A 65 4.816 3.587 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.679 1.254 7.074 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.564 2.261 8.027 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.937 1.240 6.712 1.00 0.00 H new ATOM 1009 N LEU A 66 3.256 1.686 4.273 1.00 0.00 N ATOM 1010 CA LEU A 66 3.213 1.072 3.028 1.00 0.00 C ATOM 1011 C LEU A 66 3.458 2.047 1.830 1.00 0.00 C ATOM 1012 O LEU A 66 4.379 1.860 1.034 1.00 0.00 O ATOM 1013 CB LEU A 66 1.880 0.366 2.926 1.00 0.00 C ATOM 1014 CG LEU A 66 1.523 -0.061 1.595 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.380 -1.112 1.287 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.117 -0.509 1.399 1.00 0.00 C ATOM 0 H LEU A 66 2.435 1.481 4.842 1.00 0.00 H new ATOM 0 HA LEU A 66 4.037 0.362 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.895 -0.506 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.102 1.032 3.300 1.00 0.00 H new ATOM 0 HG LEU A 66 1.615 0.808 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.158 -1.481 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.412 -0.763 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.242 -1.917 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.029 -0.805 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.088 -1.359 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.562 0.308 1.643 1.00 0.00 H new ATOM 1028 N ALA A 67 2.630 3.043 1.734 1.00 0.00 N ATOM 1029 CA ALA A 67 2.651 4.041 0.753 1.00 0.00 C ATOM 1030 C ALA A 67 3.935 4.845 0.782 1.00 0.00 C ATOM 1031 O ALA A 67 4.611 4.946 -0.226 1.00 0.00 O ATOM 1032 CB ALA A 67 1.431 4.934 0.925 1.00 0.00 C ATOM 0 H ALA A 67 1.869 3.172 2.401 1.00 0.00 H new ATOM 0 HA ALA A 67 2.615 3.565 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.441 5.714 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.525 4.337 0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.452 5.392 1.914 1.00 0.00 H new ATOM 1038 N ALA A 68 4.269 5.394 1.933 1.00 0.00 N ATOM 1039 CA ALA A 68 5.455 6.249 2.103 1.00 0.00 C ATOM 1040 C ALA A 68 6.743 5.540 1.973 1.00 0.00 C ATOM 1041 O ALA A 68 7.665 6.036 1.362 1.00 0.00 O ATOM 1042 CB ALA A 68 5.467 6.957 3.413 1.00 0.00 C ATOM 0 H ALA A 68 3.730 5.266 2.789 1.00 0.00 H new ATOM 0 HA ALA A 68 5.364 6.960 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.363 7.573 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.584 7.591 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.463 6.226 4.222 1.00 0.00 H new ATOM 1048 N TYR A 69 6.850 4.417 2.560 1.00 0.00 N ATOM 1049 CA TYR A 69 8.036 3.703 2.499 1.00 0.00 C ATOM 1050 C TYR A 69 8.184 3.055 1.123 1.00 0.00 C ATOM 1051 O TYR A 69 9.303 2.685 0.683 1.00 0.00 O ATOM 1052 CB TYR A 69 8.076 2.773 3.650 1.00 0.00 C ATOM 1053 CG TYR A 69 8.129 3.442 5.047 1.00 0.00 C ATOM 1054 CD1 TYR A 69 9.032 4.450 5.339 1.00 0.00 C ATOM 1055 CD2 TYR A 69 7.281 3.038 6.063 1.00 0.00 C ATOM 1056 CE1 TYR A 69 9.084 5.036 6.585 1.00 0.00 C ATOM 1057 CE2 TYR A 69 7.324 3.619 7.317 1.00 0.00 C ATOM 1058 CZ TYR A 69 8.227 4.618 7.569 1.00 0.00 C ATOM 1059 OH TYR A 69 8.272 5.211 8.815 1.00 0.00 O ATOM 0 H TYR A 69 6.106 3.972 3.098 1.00 0.00 H new ATOM 0 HA TYR A 69 8.912 4.345 2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.196 2.131 3.607 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.947 2.127 3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.713 4.786 4.571 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.568 2.250 5.872 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.797 5.822 6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.650 3.287 8.093 1.00 0.00 H new ATOM 0 HH TYR A 69 7.599 4.801 9.397 1.00 0.00 H new ATOM 1069 N HIS A 70 7.056 2.942 0.425 1.00 0.00 N ATOM 1070 CA HIS A 70 7.095 2.616 -1.010 1.00 0.00 C ATOM 1071 C HIS A 70 7.619 3.785 -1.717 1.00 0.00 C ATOM 1072 O HIS A 70 8.505 3.657 -2.474 1.00 0.00 O ATOM 1073 CB HIS A 70 5.740 2.367 -1.680 1.00 0.00 C ATOM 1074 CG HIS A 70 5.876 2.031 -3.170 1.00 0.00 C ATOM 1075 ND1 HIS A 70 6.655 0.988 -3.666 1.00 0.00 N ATOM 1076 CD2 HIS A 70 5.330 2.623 -4.255 1.00 0.00 C ATOM 1077 CE1 HIS A 70 6.572 0.964 -4.986 1.00 0.00 C ATOM 1078 NE2 HIS A 70 5.776 1.941 -5.371 1.00 0.00 N ATOM 0 H HIS A 70 6.121 3.067 0.813 1.00 0.00 H new ATOM 0 HA HIS A 70 7.685 1.701 -1.068 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.231 1.548 -1.171 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.114 3.252 -1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.666 3.475 -4.251 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.072 0.263 -5.638 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.529 2.159 -6.336 1.00 0.00 H new ATOM 1087 N ALA A 71 6.945 4.893 -1.488 1.00 0.00 N ATOM 1088 CA ALA A 71 7.180 6.205 -2.059 1.00 0.00 C ATOM 1089 C ALA A 71 8.582 6.490 -2.106 1.00 0.00 C ATOM 1090 O ALA A 71 9.126 6.805 -3.127 1.00 0.00 O ATOM 1091 CB ALA A 71 6.596 7.175 -1.127 1.00 0.00 C ATOM 0 H ALA A 71 6.153 4.900 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 71 6.758 6.250 -3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.746 8.184 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.528 6.981 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.079 7.081 -0.154 1.00 0.00 H new ATOM 1097 N LYS A 72 9.146 6.332 -0.971 1.00 0.00 N ATOM 1098 CA LYS A 72 10.507 6.535 -0.724 1.00 0.00 C ATOM 1099 C LYS A 72 11.400 5.821 -1.771 1.00 0.00 C ATOM 1100 O LYS A 72 12.449 6.331 -2.166 1.00 0.00 O ATOM 1101 CB LYS A 72 10.823 6.084 0.671 1.00 0.00 C ATOM 1102 CG LYS A 72 10.569 7.105 1.700 1.00 0.00 C ATOM 1103 CD LYS A 72 10.843 6.478 2.990 1.00 0.00 C ATOM 1104 CE LYS A 72 10.604 7.418 4.155 1.00 0.00 C ATOM 1105 NZ LYS A 72 11.535 8.568 4.157 1.00 0.00 N ATOM 0 H LYS A 72 8.631 6.039 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 72 10.726 7.599 -0.816 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.231 5.198 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.871 5.788 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.209 7.974 1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.538 7.455 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.212 5.597 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.877 6.134 3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.578 7.785 4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.710 6.867 5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.410 9.114 5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.514 8.222 4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.336 9.177 3.338 1.00 0.00 H new ATOM 1119 N HIS A 73 10.942 4.639 -2.195 1.00 0.00 N ATOM 1120 CA HIS A 73 11.581 3.843 -3.264 1.00 0.00 C ATOM 1121 C HIS A 73 10.798 3.864 -4.629 1.00 0.00 C ATOM 1122 O HIS A 73 11.242 3.228 -5.580 1.00 0.00 O ATOM 1123 CB HIS A 73 11.826 2.368 -2.825 1.00 0.00 C ATOM 1124 CG HIS A 73 12.605 2.257 -1.562 1.00 0.00 C ATOM 1125 ND1 HIS A 73 12.022 2.236 -0.301 1.00 0.00 N ATOM 1126 CD2 HIS A 73 13.930 2.212 -1.358 1.00 0.00 C ATOM 1127 CE1 HIS A 73 12.970 2.189 0.603 1.00 0.00 C ATOM 1128 NE2 HIS A 73 14.136 2.175 -0.008 1.00 0.00 N ATOM 0 H HIS A 73 10.109 4.198 -1.806 1.00 0.00 H new ATOM 0 HA HIS A 73 12.540 4.333 -3.435 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.865 1.869 -2.698 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.356 1.842 -3.619 1.00 0.00 H new ATOM 0 HD1 HIS A 73 11.020 2.254 -0.110 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.694 2.206 -2.121 1.00 0.00 H new ATOM 0 HE1 HIS A 73 12.819 2.166 1.672 1.00 0.00 H new ATOM 1137 N CYS A 74 9.629 4.545 -4.735 1.00 0.00 N ATOM 1138 CA CYS A 74 8.993 4.642 -6.011 1.00 0.00 C ATOM 1139 C CYS A 74 9.421 6.016 -6.489 1.00 0.00 C ATOM 1140 O CYS A 74 8.884 6.999 -5.969 1.00 0.00 O ATOM 1141 CB CYS A 74 7.367 4.621 -5.914 1.00 0.00 C ATOM 1142 SG CYS A 74 6.550 4.281 -7.493 1.00 0.00 S ATOM 0 H CYS A 74 9.146 5.009 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 74 9.267 3.807 -6.656 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.065 3.866 -5.188 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.022 5.583 -5.536 1.00 0.00 H new ATOM 0 HG CYS A 74 5.261 4.281 -7.323 1.00 0.00 H new ATOM 1148 N GLN A 75 10.354 6.168 -7.432 1.00 0.00 N ATOM 1149 CA GLN A 75 10.616 7.515 -7.824 1.00 0.00 C ATOM 1150 C GLN A 75 9.620 7.898 -8.889 1.00 0.00 C ATOM 1151 O GLN A 75 9.834 7.662 -10.081 1.00 0.00 O ATOM 1152 CB GLN A 75 12.088 7.854 -8.252 1.00 0.00 C ATOM 1153 CG GLN A 75 13.141 7.853 -7.107 1.00 0.00 C ATOM 1154 CD GLN A 75 12.619 7.496 -5.697 1.00 0.00 C ATOM 1155 OE1 GLN A 75 12.618 6.336 -5.332 1.00 0.00 O ATOM 1156 NE2 GLN A 75 12.205 8.477 -4.879 1.00 0.00 N ATOM 0 H GLN A 75 10.890 5.433 -7.893 1.00 0.00 H new ATOM 0 HA GLN A 75 10.497 8.120 -6.925 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.401 7.135 -9.009 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.092 8.837 -8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.930 7.148 -7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.599 8.841 -7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.212 9.445 -5.200 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.884 8.254 -3.937 1.00 0.00 H new ATOM 1165 N GLU A 76 8.512 8.428 -8.454 1.00 0.00 N ATOM 1166 CA GLU A 76 7.461 8.826 -9.280 1.00 0.00 C ATOM 1167 C GLU A 76 6.866 9.989 -8.609 1.00 0.00 C ATOM 1168 O GLU A 76 6.896 10.069 -7.360 1.00 0.00 O ATOM 1169 CB GLU A 76 6.405 7.701 -9.502 1.00 0.00 C ATOM 1170 CG GLU A 76 5.214 8.184 -10.322 1.00 0.00 C ATOM 1171 CD GLU A 76 5.646 8.685 -11.675 1.00 0.00 C ATOM 1172 OE1 GLU A 76 5.741 7.888 -12.624 1.00 0.00 O ATOM 1173 OE2 GLU A 76 5.911 9.900 -11.807 1.00 0.00 O ATOM 0 H GLU A 76 8.331 8.592 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 76 7.824 9.063 -10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.875 6.858 -10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.055 7.337 -8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.500 7.369 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.699 8.980 -9.785 1.00 0.00 H new ATOM 1180 N ASN A 77 6.432 10.919 -9.373 1.00 0.00 N ATOM 1181 CA ASN A 77 5.895 12.076 -8.818 1.00 0.00 C ATOM 1182 C ASN A 77 4.437 12.248 -9.247 1.00 0.00 C ATOM 1183 O ASN A 77 3.741 13.182 -8.818 1.00 0.00 O ATOM 1184 CB ASN A 77 6.815 13.229 -9.110 1.00 0.00 C ATOM 1185 CG ASN A 77 6.626 14.427 -8.197 1.00 0.00 C ATOM 1186 OD1 ASN A 77 6.247 14.286 -7.044 1.00 0.00 O ATOM 1187 ND2 ASN A 77 6.927 15.601 -8.686 1.00 0.00 N ATOM 0 H ASN A 77 6.444 10.890 -10.393 1.00 0.00 H new ATOM 0 HA ASN A 77 5.839 12.017 -7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.846 12.885 -9.030 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.664 13.546 -10.142 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.848 16.433 -8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.241 15.686 -9.653 1.00 0.00 H new ATOM 1194 N LYS A 78 3.990 11.344 -10.135 1.00 0.00 N ATOM 1195 CA LYS A 78 2.583 11.229 -10.471 1.00 0.00 C ATOM 1196 C LYS A 78 1.869 10.640 -9.325 1.00 0.00 C ATOM 1197 O LYS A 78 2.377 9.719 -8.699 1.00 0.00 O ATOM 1198 CB LYS A 78 2.324 10.434 -11.737 1.00 0.00 C ATOM 1199 CG LYS A 78 2.263 11.305 -12.978 1.00 0.00 C ATOM 1200 CD LYS A 78 3.639 11.669 -13.495 1.00 0.00 C ATOM 1201 CE LYS A 78 4.264 10.515 -14.267 1.00 0.00 C ATOM 1202 NZ LYS A 78 5.717 10.680 -14.407 1.00 0.00 N ATOM 0 H LYS A 78 4.594 10.686 -10.628 1.00 0.00 H new ATOM 0 HA LYS A 78 2.210 12.232 -10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.111 9.689 -11.860 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.384 9.891 -11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.711 10.782 -13.759 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.710 12.217 -12.752 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.567 12.544 -14.141 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.283 11.941 -12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.052 9.577 -13.754 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.808 10.449 -15.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.066 10.055 -15.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.932 11.668 -14.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.182 10.433 -13.510 1.00 0.00 H new ATOM 1216 N CYS A 79 0.700 11.130 -9.062 1.00 0.00 N ATOM 1217 CA CYS A 79 0.059 10.842 -7.833 1.00 0.00 C ATOM 1218 C CYS A 79 -1.052 9.800 -7.892 1.00 0.00 C ATOM 1219 O CYS A 79 -2.175 10.143 -8.287 1.00 0.00 O ATOM 1220 CB CYS A 79 -0.487 12.155 -7.249 1.00 0.00 C ATOM 1221 SG CYS A 79 -1.594 13.045 -8.375 1.00 0.00 S ATOM 0 H CYS A 79 0.172 11.735 -9.691 1.00 0.00 H new ATOM 0 HA CYS A 79 0.821 10.391 -7.197 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.021 11.937 -6.324 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.350 12.803 -6.988 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.425 12.206 -8.920 1.00 0.00 H new ATOM 1227 N PRO A 80 -0.818 8.482 -7.601 1.00 0.00 N ATOM 1228 CA PRO A 80 -1.915 7.682 -7.357 1.00 0.00 C ATOM 1229 C PRO A 80 -2.153 7.378 -5.889 1.00 0.00 C ATOM 1230 O PRO A 80 -3.292 7.342 -5.432 1.00 0.00 O ATOM 1231 CB PRO A 80 -1.664 6.460 -8.212 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.180 6.322 -8.304 1.00 0.00 C ATOM 1233 CD PRO A 80 0.397 7.624 -7.795 1.00 0.00 C ATOM 0 HA PRO A 80 -2.849 8.179 -7.618 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.112 5.572 -7.765 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.107 6.577 -9.201 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.171 5.481 -7.706 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.131 6.134 -9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.945 7.485 -6.863 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.091 8.064 -8.511 1.00 0.00 H new ATOM 1241 N VAL A 81 -1.115 7.267 -5.153 1.00 0.00 N ATOM 1242 CA VAL A 81 -1.188 6.707 -3.849 1.00 0.00 C ATOM 1243 C VAL A 81 -1.136 7.758 -2.766 1.00 0.00 C ATOM 1244 O VAL A 81 -0.377 8.765 -2.891 1.00 0.00 O ATOM 1245 CB VAL A 81 -0.027 5.671 -3.696 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.034 4.975 -2.339 1.00 0.00 C ATOM 1247 CG2 VAL A 81 -0.153 4.650 -4.768 1.00 0.00 C ATOM 0 H VAL A 81 -0.180 7.563 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.151 6.210 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 81 0.901 6.237 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.870 4.275 -2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.171 5.719 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.896 4.433 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.652 3.921 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.114 4.144 -4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.089 5.135 -5.742 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.924 7.501 -1.639 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.888 8.261 -0.421 1.00 0.00 C ATOM 1259 C PRO A 82 -0.495 8.149 0.040 1.00 0.00 C ATOM 1260 O PRO A 82 0.202 7.306 -0.443 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.836 7.534 0.536 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.816 6.174 0.023 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.766 6.358 -1.467 1.00 0.00 C ATOM 0 HA PRO A 82 -2.181 9.307 -0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.488 7.584 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.839 7.961 0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.950 5.621 0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.702 5.617 0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.356 5.480 -1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.759 6.526 -1.883 1.00 0.00 H new ATOM 1271 N PHE A 83 -0.177 8.797 1.055 1.00 0.00 N ATOM 1272 CA PHE A 83 1.150 9.292 1.289 1.00 0.00 C ATOM 1273 C PHE A 83 2.257 8.366 0.890 1.00 0.00 C ATOM 1274 O PHE A 83 2.787 7.609 1.616 1.00 0.00 O ATOM 1275 CB PHE A 83 1.263 9.707 2.706 1.00 0.00 C ATOM 1276 CG PHE A 83 -0.029 10.310 3.183 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -0.993 9.486 3.748 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.333 11.643 2.976 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -2.210 9.953 4.081 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.572 12.128 3.340 1.00 0.00 C ATOM 1281 CZ PHE A 83 -2.511 11.265 3.885 1.00 0.00 C ATOM 0 H PHE A 83 -0.836 9.026 1.799 1.00 0.00 H new ATOM 0 HA PHE A 83 1.286 10.148 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.519 8.846 3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.071 10.430 2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.761 8.446 3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.397 12.302 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.947 9.287 4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.809 13.172 3.202 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.488 11.637 4.156 1.00 0.00 H new ATOM 1291 N CYS A 84 2.517 8.612 -0.329 1.00 0.00 N ATOM 1292 CA CYS A 84 3.379 8.098 -1.296 1.00 0.00 C ATOM 1293 C CYS A 84 3.882 9.355 -1.860 1.00 0.00 C ATOM 1294 O CYS A 84 4.002 10.280 -1.113 1.00 0.00 O ATOM 1295 CB CYS A 84 2.716 7.155 -2.348 1.00 0.00 C ATOM 1296 SG CYS A 84 3.767 6.566 -3.723 1.00 0.00 S ATOM 0 H CYS A 84 1.989 9.370 -0.762 1.00 0.00 H new ATOM 0 HA CYS A 84 4.139 7.424 -0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.328 6.283 -1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.860 7.676 -2.777 1.00 0.00 H new ATOM 0 HG CYS A 84 3.069 5.795 -4.503 1.00 0.00 H new ATOM 1302 N LEU A 85 4.218 9.360 -3.104 1.00 0.00 N ATOM 1303 CA LEU A 85 4.934 10.389 -3.881 1.00 0.00 C ATOM 1304 C LEU A 85 4.754 11.928 -3.528 1.00 0.00 C ATOM 1305 O LEU A 85 5.432 12.753 -4.086 1.00 0.00 O ATOM 1306 CB LEU A 85 4.543 10.198 -5.411 1.00 0.00 C ATOM 1307 CG LEU A 85 3.045 10.402 -5.905 1.00 0.00 C ATOM 1308 CD1 LEU A 85 2.057 9.384 -5.353 1.00 0.00 C ATOM 1309 CD2 LEU A 85 2.573 11.781 -5.607 1.00 0.00 C ATOM 0 H LEU A 85 3.983 8.563 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 85 5.975 10.203 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.165 10.882 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.837 9.187 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 85 3.075 10.242 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.061 9.597 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.358 8.382 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.043 9.443 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.546 11.897 -5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.615 11.955 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.212 12.502 -6.117 1.00 0.00 H new ATOM 1321 N ASN A 86 3.919 12.260 -2.607 1.00 0.00 N ATOM 1322 CA ASN A 86 3.782 13.615 -2.084 1.00 0.00 C ATOM 1323 C ASN A 86 4.735 13.708 -0.868 1.00 0.00 C ATOM 1324 O ASN A 86 5.168 14.782 -0.481 1.00 0.00 O ATOM 1325 CB ASN A 86 2.308 13.877 -1.643 1.00 0.00 C ATOM 1326 CG ASN A 86 1.946 15.341 -1.279 1.00 0.00 C ATOM 1327 OD1 ASN A 86 0.799 15.746 -1.461 1.00 0.00 O ATOM 1328 ND2 ASN A 86 2.864 16.129 -0.767 1.00 0.00 N ATOM 0 H ASN A 86 3.284 11.592 -2.170 1.00 0.00 H new ATOM 0 HA ASN A 86 4.032 14.360 -2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.648 13.552 -2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.093 13.247 -0.780 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.629 17.089 -0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.812 15.781 -0.621 1.00 0.00 H new ATOM 1335 N ILE A 87 5.087 12.533 -0.305 1.00 0.00 N ATOM 1336 CA ILE A 87 6.000 12.419 0.852 1.00 0.00 C ATOM 1337 C ILE A 87 7.382 12.937 0.425 1.00 0.00 C ATOM 1338 O ILE A 87 8.136 13.485 1.205 1.00 0.00 O ATOM 1339 CB ILE A 87 6.081 10.904 1.398 1.00 0.00 C ATOM 1340 CG1 ILE A 87 6.267 10.870 2.918 1.00 0.00 C ATOM 1341 CG2 ILE A 87 7.207 10.074 0.729 1.00 0.00 C ATOM 1342 CD1 ILE A 87 5.182 11.583 3.703 1.00 0.00 C ATOM 0 H ILE A 87 4.745 11.633 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 87 5.620 13.020 1.678 1.00 0.00 H new ATOM 0 HB ILE A 87 5.128 10.447 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.308 9.830 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.229 11.319 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.208 9.065 1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.035 10.028 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.171 10.546 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.395 11.508 4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.153 12.633 3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.217 11.121 3.493 1.00 0.00 H new ATOM 1354 N LYS A 88 7.637 12.765 -0.847 1.00 0.00 N ATOM 1355 CA LYS A 88 8.810 13.202 -1.534 1.00 0.00 C ATOM 1356 C LYS A 88 8.396 13.902 -2.780 1.00 0.00 C ATOM 1357 O LYS A 88 8.158 13.247 -3.818 1.00 0.00 O ATOM 1358 CB LYS A 88 9.684 12.039 -1.905 1.00 0.00 C ATOM 1359 CG LYS A 88 8.932 10.795 -2.274 1.00 0.00 C ATOM 1360 CD LYS A 88 9.779 9.916 -3.091 1.00 0.00 C ATOM 1361 CE LYS A 88 9.028 9.507 -4.309 1.00 0.00 C ATOM 1362 NZ LYS A 88 8.607 10.668 -5.179 1.00 0.00 N ATOM 0 H LYS A 88 6.983 12.284 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 88 9.373 13.866 -0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.318 12.329 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.345 11.815 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.615 10.272 -1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.029 11.057 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.697 10.433 -3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.071 9.037 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.647 8.829 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.141 8.949 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.716 10.435 -5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.470 11.513 -4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.345 10.857 -5.887 1.00 0.00 H new ATOM 1376 N GLN A 89 8.249 15.196 -2.714 1.00 0.00 N ATOM 1377 CA GLN A 89 7.814 15.881 -3.874 1.00 0.00 C ATOM 1378 C GLN A 89 8.988 16.156 -4.768 1.00 0.00 C ATOM 1379 O GLN A 89 9.685 17.174 -4.583 1.00 0.00 O ATOM 1380 CB GLN A 89 7.149 17.209 -3.566 1.00 0.00 C ATOM 1381 CG GLN A 89 5.874 17.120 -2.751 1.00 0.00 C ATOM 1382 CD GLN A 89 5.255 18.475 -2.455 1.00 0.00 C ATOM 1383 OE1 GLN A 89 4.631 18.663 -1.411 1.00 0.00 O ATOM 1384 NE2 GLN A 89 5.391 19.417 -3.358 1.00 0.00 N ATOM 0 H GLN A 89 8.421 15.773 -1.891 1.00 0.00 H new ATOM 0 HA GLN A 89 7.081 15.234 -4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.860 17.837 -3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.925 17.712 -4.507 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.150 16.507 -3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.087 16.612 -1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.914 19.231 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.974 20.335 -3.204 1.00 0.00 H new ATOM 1393 N LYS A 90 9.213 15.282 -5.705 1.00 0.00 N ATOM 1394 CA LYS A 90 10.248 15.420 -6.684 1.00 0.00 C ATOM 1395 C LYS A 90 10.216 14.119 -7.433 1.00 0.00 C ATOM 1396 O LYS A 90 10.445 13.091 -6.777 1.00 0.00 O ATOM 1397 CB LYS A 90 11.657 15.596 -6.034 1.00 0.00 C ATOM 1398 CG LYS A 90 12.695 16.397 -6.854 1.00 0.00 C ATOM 1399 CD LYS A 90 12.926 15.859 -8.258 1.00 0.00 C ATOM 1400 CE LYS A 90 13.412 14.426 -8.252 1.00 0.00 C ATOM 1401 NZ LYS A 90 13.580 13.894 -9.615 1.00 0.00 N ATOM 1402 OXT LYS A 90 9.993 14.100 -8.646 1.00 0.00 O ATOM 0 H LYS A 90 8.664 14.429 -5.811 1.00 0.00 H new ATOM 0 HA LYS A 90 10.085 16.300 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.530 16.088 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.068 14.606 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.366 17.434 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.643 16.399 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.998 15.923 -8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.657 16.486 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.362 14.368 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.702 13.805 -7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.914 12.910 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.668 13.925 -10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.276 14.470 -10.129 1.00 0.00 H new TER 1416 LYS A 90 ATOM 1417 N LEU B 1 6.501 -4.563 -11.583 1.00 0.00 N ATOM 1418 CA LEU B 1 7.809 -3.941 -11.421 1.00 0.00 C ATOM 1419 C LEU B 1 8.411 -4.362 -10.110 1.00 0.00 C ATOM 1420 O LEU B 1 7.762 -4.228 -9.060 1.00 0.00 O ATOM 1421 CB LEU B 1 7.750 -2.395 -11.435 1.00 0.00 C ATOM 1422 CG LEU B 1 7.430 -1.673 -12.753 1.00 0.00 C ATOM 1423 CD1 LEU B 1 5.975 -1.819 -13.158 1.00 0.00 C ATOM 1424 CD2 LEU B 1 7.819 -0.210 -12.643 1.00 0.00 C ATOM 0 H1 LEU B 1 6.340 -4.775 -12.588 1.00 0.00 H new ATOM 0 H2 LEU B 1 6.465 -5.445 -11.033 1.00 0.00 H new ATOM 0 H3 LEU B 1 5.763 -3.913 -11.244 1.00 0.00 H new ATOM 0 HA LEU B 1 8.411 -4.270 -12.268 1.00 0.00 H new ATOM 0 HB2 LEU B 1 7.004 -2.088 -10.702 1.00 0.00 H new ATOM 0 HB3 LEU B 1 8.713 -2.026 -11.083 1.00 0.00 H new ATOM 0 HG LEU B 1 8.017 -2.145 -13.541 1.00 0.00 H new ATOM 0 HD11 LEU B 1 5.803 -1.290 -14.096 1.00 0.00 H new ATOM 0 HD12 LEU B 1 5.738 -2.875 -13.288 1.00 0.00 H new ATOM 0 HD13 LEU B 1 5.337 -1.397 -12.381 1.00 0.00 H new ATOM 0 HD21 LEU B 1 7.591 0.299 -13.580 1.00 0.00 H new ATOM 0 HD22 LEU B 1 7.259 0.255 -11.832 1.00 0.00 H new ATOM 0 HD23 LEU B 1 8.887 -0.132 -12.439 1.00 0.00 H new ATOM 1438 N PRO B 2 9.655 -4.858 -10.117 1.00 0.00 N ATOM 1439 CA PRO B 2 10.334 -5.205 -8.902 1.00 0.00 C ATOM 1440 C PRO B 2 10.893 -3.946 -8.262 1.00 0.00 C ATOM 1441 O PRO B 2 11.967 -3.462 -8.626 1.00 0.00 O ATOM 1442 CB PRO B 2 11.453 -6.157 -9.347 1.00 0.00 C ATOM 1443 CG PRO B 2 11.712 -5.833 -10.783 1.00 0.00 C ATOM 1444 CD PRO B 2 10.499 -5.103 -11.312 1.00 0.00 C ATOM 0 HA PRO B 2 9.687 -5.672 -8.160 1.00 0.00 H new ATOM 0 HB2 PRO B 2 12.351 -6.014 -8.745 1.00 0.00 H new ATOM 0 HB3 PRO B 2 11.152 -7.198 -9.229 1.00 0.00 H new ATOM 0 HG2 PRO B 2 12.604 -5.215 -10.881 1.00 0.00 H new ATOM 0 HG3 PRO B 2 11.891 -6.744 -11.355 1.00 0.00 H new ATOM 0 HD2 PRO B 2 10.780 -4.168 -11.797 1.00 0.00 H new ATOM 0 HD3 PRO B 2 9.970 -5.700 -12.054 1.00 0.00 H new ATOM 1452 N SER B 3 10.125 -3.366 -7.396 1.00 0.00 N ATOM 1453 CA SER B 3 10.528 -2.152 -6.759 1.00 0.00 C ATOM 1454 C SER B 3 11.246 -2.435 -5.454 1.00 0.00 C ATOM 1455 O SER B 3 12.070 -1.630 -5.010 1.00 0.00 O ATOM 1456 CB SER B 3 9.332 -1.203 -6.606 1.00 0.00 C ATOM 1457 OG SER B 3 8.166 -1.894 -6.153 1.00 0.00 O ATOM 0 H SER B 3 9.210 -3.715 -7.112 1.00 0.00 H new ATOM 0 HA SER B 3 11.251 -1.638 -7.392 1.00 0.00 H new ATOM 0 HB2 SER B 3 9.583 -0.411 -5.900 1.00 0.00 H new ATOM 0 HB3 SER B 3 9.123 -0.723 -7.562 1.00 0.00 H new ATOM 0 HG SER B 3 7.378 -1.550 -6.624 1.00 0.00 H new ATOM 1463 N GLN B 4 10.951 -3.613 -4.885 1.00 0.00 N ATOM 1464 CA GLN B 4 11.555 -4.129 -3.663 1.00 0.00 C ATOM 1465 C GLN B 4 11.496 -3.121 -2.530 1.00 0.00 C ATOM 1466 O GLN B 4 12.433 -2.334 -2.326 1.00 0.00 O ATOM 1467 CB GLN B 4 13.010 -4.588 -3.898 1.00 0.00 C ATOM 1468 CG GLN B 4 13.185 -5.661 -4.979 1.00 0.00 C ATOM 1469 CD GLN B 4 12.549 -7.006 -4.637 1.00 0.00 C ATOM 1470 OE1 GLN B 4 11.554 -7.087 -3.932 1.00 0.00 O ATOM 1471 NE2 GLN B 4 13.125 -8.065 -5.149 1.00 0.00 N ATOM 0 H GLN B 4 10.260 -4.250 -5.282 1.00 0.00 H new ATOM 0 HA GLN B 4 10.966 -4.997 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN B 4 13.610 -3.719 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN B 4 13.410 -4.971 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.754 -5.295 -5.911 1.00 0.00 H new ATOM 0 HG3 GLN B 4 14.250 -5.811 -5.157 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.955 -7.962 -5.733 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.744 -8.993 -4.963 1.00 0.00 H new ATOM 1480 N ALA B 5 10.411 -3.093 -1.801 1.00 0.00 N ATOM 1481 CA ALA B 5 10.353 -2.169 -0.733 1.00 0.00 C ATOM 1482 C ALA B 5 10.985 -2.770 0.441 1.00 0.00 C ATOM 1483 O ALA B 5 10.509 -3.758 0.977 1.00 0.00 O ATOM 1484 CB ALA B 5 8.984 -1.726 -0.402 1.00 0.00 C ATOM 0 H ALA B 5 9.589 -3.683 -1.930 1.00 0.00 H new ATOM 0 HA ALA B 5 10.885 -1.273 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA B 5 9.021 -1.019 0.427 1.00 0.00 H new ATOM 0 HB2 ALA B 5 8.538 -1.244 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA B 5 8.382 -2.588 -0.116 1.00 0.00 H new ATOM 1490 N MET B 6 12.062 -2.193 0.816 1.00 0.00 N ATOM 1491 CA MET B 6 12.818 -2.676 1.913 1.00 0.00 C ATOM 1492 C MET B 6 12.091 -2.472 3.196 1.00 0.00 C ATOM 1493 O MET B 6 11.856 -1.358 3.625 1.00 0.00 O ATOM 1494 CB MET B 6 14.205 -2.098 1.948 1.00 0.00 C ATOM 1495 CG MET B 6 15.106 -2.641 0.840 1.00 0.00 C ATOM 1496 SD MET B 6 16.801 -2.027 0.904 1.00 0.00 S ATOM 1497 CE MET B 6 16.594 -0.306 0.476 1.00 0.00 C ATOM 0 H MET B 6 12.451 -1.363 0.368 1.00 0.00 H new ATOM 0 HA MET B 6 12.941 -3.750 1.775 1.00 0.00 H new ATOM 0 HB2 MET B 6 14.143 -1.013 1.859 1.00 0.00 H new ATOM 0 HB3 MET B 6 14.658 -2.313 2.916 1.00 0.00 H new ATOM 0 HG2 MET B 6 15.122 -3.729 0.900 1.00 0.00 H new ATOM 0 HG3 MET B 6 14.673 -2.382 -0.126 1.00 0.00 H new ATOM 0 HE1 MET B 6 17.149 -0.089 -0.436 1.00 0.00 H new ATOM 0 HE2 MET B 6 15.537 -0.096 0.316 1.00 0.00 H new ATOM 0 HE3 MET B 6 16.969 0.318 1.287 1.00 0.00 H new ATOM 1507 N ASP B 7 11.759 -3.577 3.773 1.00 0.00 N ATOM 1508 CA ASP B 7 10.977 -3.708 5.000 1.00 0.00 C ATOM 1509 C ASP B 7 11.629 -3.026 6.199 1.00 0.00 C ATOM 1510 O ASP B 7 10.959 -2.597 7.133 1.00 0.00 O ATOM 1511 CB ASP B 7 10.757 -5.191 5.249 1.00 0.00 C ATOM 1512 CG ASP B 7 10.344 -5.531 6.663 1.00 0.00 C ATOM 1513 OD1 ASP B 7 9.165 -5.395 7.007 1.00 0.00 O ATOM 1514 OD2 ASP B 7 11.225 -5.972 7.447 1.00 0.00 O ATOM 0 H ASP B 7 12.034 -4.482 3.392 1.00 0.00 H new ATOM 0 HA ASP B 7 10.023 -3.196 4.872 1.00 0.00 H new ATOM 0 HB2 ASP B 7 9.991 -5.553 4.563 1.00 0.00 H new ATOM 0 HB3 ASP B 7 11.676 -5.727 5.013 1.00 0.00 H new ATOM 1519 N ASP B 8 12.931 -2.893 6.144 1.00 0.00 N ATOM 1520 CA ASP B 8 13.688 -2.246 7.214 1.00 0.00 C ATOM 1521 C ASP B 8 13.453 -0.746 7.168 1.00 0.00 C ATOM 1522 O ASP B 8 13.534 -0.044 8.160 1.00 0.00 O ATOM 1523 CB ASP B 8 15.181 -2.545 7.067 1.00 0.00 C ATOM 1524 CG ASP B 8 15.477 -4.017 6.908 1.00 0.00 C ATOM 1525 OD1 ASP B 8 15.560 -4.748 7.907 1.00 0.00 O ATOM 1526 OD2 ASP B 8 15.636 -4.472 5.764 1.00 0.00 O ATOM 0 H ASP B 8 13.503 -3.224 5.367 1.00 0.00 H new ATOM 0 HA ASP B 8 13.349 -2.637 8.173 1.00 0.00 H new ATOM 0 HB2 ASP B 8 15.570 -2.007 6.203 1.00 0.00 H new ATOM 0 HB3 ASP B 8 15.709 -2.167 7.942 1.00 0.00 H new ATOM 1531 N LEU B 9 13.114 -0.295 5.997 1.00 0.00 N ATOM 1532 CA LEU B 9 12.845 1.115 5.680 1.00 0.00 C ATOM 1533 C LEU B 9 11.370 1.305 5.550 1.00 0.00 C ATOM 1534 O LEU B 9 10.904 2.169 4.845 1.00 0.00 O ATOM 1535 CB LEU B 9 13.560 1.516 4.384 1.00 0.00 C ATOM 1536 CG LEU B 9 15.054 1.215 4.353 1.00 0.00 C ATOM 1537 CD1 LEU B 9 15.735 1.941 3.215 1.00 0.00 C ATOM 1538 CD2 LEU B 9 15.692 1.548 5.680 1.00 0.00 C ATOM 0 H LEU B 9 13.007 -0.908 5.189 1.00 0.00 H new ATOM 0 HA LEU B 9 13.223 1.752 6.480 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.084 1.001 3.550 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.416 2.584 4.223 1.00 0.00 H new ATOM 0 HG LEU B 9 15.181 0.147 4.179 1.00 0.00 H new ATOM 0 HD11 LEU B 9 16.799 1.707 3.219 1.00 0.00 H new ATOM 0 HD12 LEU B 9 15.297 1.625 2.268 1.00 0.00 H new ATOM 0 HD13 LEU B 9 15.600 3.016 3.336 1.00 0.00 H new ATOM 0 HD21 LEU B 9 16.758 1.326 5.637 1.00 0.00 H new ATOM 0 HD22 LEU B 9 15.550 2.607 5.896 1.00 0.00 H new ATOM 0 HD23 LEU B 9 15.229 0.952 6.466 1.00 0.00 H new ATOM 1550 N MET B 10 10.677 0.457 6.235 1.00 0.00 N ATOM 1551 CA MET B 10 9.221 0.366 6.273 1.00 0.00 C ATOM 1552 C MET B 10 8.796 0.031 7.681 1.00 0.00 C ATOM 1553 O MET B 10 9.649 -0.346 8.506 1.00 0.00 O ATOM 1554 CB MET B 10 8.797 -0.812 5.425 1.00 0.00 C ATOM 1555 CG MET B 10 8.486 -0.577 3.993 1.00 0.00 C ATOM 1556 SD MET B 10 6.766 -0.131 3.776 1.00 0.00 S ATOM 1557 CE MET B 10 6.688 -0.087 2.012 1.00 0.00 C ATOM 0 H MET B 10 11.123 -0.244 6.827 1.00 0.00 H new ATOM 0 HA MET B 10 8.786 1.304 5.927 1.00 0.00 H new ATOM 0 HB2 MET B 10 9.590 -1.558 5.474 1.00 0.00 H new ATOM 0 HB3 MET B 10 7.914 -1.253 5.888 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.123 0.217 3.604 1.00 0.00 H new ATOM 0 HG3 MET B 10 8.708 -1.475 3.417 1.00 0.00 H new ATOM 0 HE1 MET B 10 5.770 0.411 1.701 1.00 0.00 H new ATOM 0 HE2 MET B 10 7.547 0.460 1.623 1.00 0.00 H new ATOM 0 HE3 MET B 10 6.699 -1.105 1.622 1.00 0.00 H new ATOM 1567 N LEU B 11 7.522 0.199 8.009 1.00 0.00 N ATOM 1568 CA LEU B 11 7.057 -0.441 9.232 1.00 0.00 C ATOM 1569 C LEU B 11 6.224 -1.657 8.811 1.00 0.00 C ATOM 1570 O LEU B 11 5.967 -1.790 7.617 1.00 0.00 O ATOM 1571 CB LEU B 11 6.367 0.533 10.250 1.00 0.00 C ATOM 1572 CG LEU B 11 4.921 0.999 10.024 1.00 0.00 C ATOM 1573 CD1 LEU B 11 3.933 0.017 10.552 1.00 0.00 C ATOM 1574 CD2 LEU B 11 4.692 2.379 10.602 1.00 0.00 C ATOM 0 H LEU B 11 6.831 0.736 7.485 1.00 0.00 H new ATOM 0 HA LEU B 11 7.905 -0.782 9.826 1.00 0.00 H new ATOM 0 HB2 LEU B 11 6.401 0.053 11.228 1.00 0.00 H new ATOM 0 HB3 LEU B 11 6.987 1.427 10.311 1.00 0.00 H new ATOM 0 HG LEU B 11 4.766 1.061 8.947 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.923 0.385 10.372 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.066 -0.940 10.048 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.086 -0.113 11.623 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.659 2.680 10.426 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.887 2.361 11.674 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.364 3.090 10.123 1.00 0.00 H new ATOM 1586 N SER B 12 5.820 -2.514 9.764 1.00 0.00 N ATOM 1587 CA SER B 12 5.170 -3.817 9.498 1.00 0.00 C ATOM 1588 C SER B 12 4.197 -3.816 8.297 1.00 0.00 C ATOM 1589 O SER B 12 3.122 -3.204 8.349 1.00 0.00 O ATOM 1590 CB SER B 12 4.405 -4.271 10.715 1.00 0.00 C ATOM 1591 OG SER B 12 5.063 -3.855 11.918 1.00 0.00 O ATOM 0 H SER B 12 5.936 -2.321 10.759 1.00 0.00 H new ATOM 0 HA SER B 12 5.987 -4.496 9.252 1.00 0.00 H new ATOM 0 HB2 SER B 12 3.395 -3.862 10.688 1.00 0.00 H new ATOM 0 HB3 SER B 12 4.309 -5.357 10.705 1.00 0.00 H new ATOM 0 HG SER B 12 4.548 -4.159 12.694 1.00 0.00 H new ATOM 1597 N PRO B 13 4.561 -4.562 7.236 1.00 0.00 N ATOM 1598 CA PRO B 13 3.758 -4.729 5.976 1.00 0.00 C ATOM 1599 C PRO B 13 2.417 -5.397 6.214 1.00 0.00 C ATOM 1600 O PRO B 13 1.515 -5.374 5.364 1.00 0.00 O ATOM 1601 CB PRO B 13 4.597 -5.728 5.195 1.00 0.00 C ATOM 1602 CG PRO B 13 5.977 -5.557 5.693 1.00 0.00 C ATOM 1603 CD PRO B 13 5.851 -5.288 7.142 1.00 0.00 C ATOM 0 HA PRO B 13 3.561 -3.766 5.506 1.00 0.00 H new ATOM 0 HB2 PRO B 13 4.245 -6.747 5.356 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.540 -5.536 4.124 1.00 0.00 H new ATOM 0 HG2 PRO B 13 6.572 -6.452 5.512 1.00 0.00 H new ATOM 0 HG3 PRO B 13 6.477 -4.733 5.184 1.00 0.00 H new ATOM 0 HD2 PRO B 13 5.839 -6.210 7.724 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.680 -4.687 7.514 1.00 0.00 H new ATOM 1611 N ASP B 14 2.331 -5.955 7.376 1.00 0.00 N ATOM 1612 CA ASP B 14 1.314 -6.901 7.816 1.00 0.00 C ATOM 1613 C ASP B 14 -0.124 -6.549 7.448 1.00 0.00 C ATOM 1614 O ASP B 14 -0.880 -7.414 7.021 1.00 0.00 O ATOM 1615 CB ASP B 14 1.425 -7.079 9.327 1.00 0.00 C ATOM 1616 CG ASP B 14 0.525 -8.164 9.866 1.00 0.00 C ATOM 1617 OD1 ASP B 14 -0.639 -7.884 10.222 1.00 0.00 O ATOM 1618 OD2 ASP B 14 0.989 -9.314 9.966 1.00 0.00 O ATOM 0 H ASP B 14 3.012 -5.759 8.110 1.00 0.00 H new ATOM 0 HA ASP B 14 1.522 -7.824 7.275 1.00 0.00 H new ATOM 0 HB2 ASP B 14 2.458 -7.312 9.584 1.00 0.00 H new ATOM 0 HB3 ASP B 14 1.180 -6.136 9.816 1.00 0.00 H new ATOM 1623 N ASP B 15 -0.502 -5.312 7.600 1.00 0.00 N ATOM 1624 CA ASP B 15 -1.922 -4.975 7.465 1.00 0.00 C ATOM 1625 C ASP B 15 -2.475 -4.954 6.046 1.00 0.00 C ATOM 1626 O ASP B 15 -3.415 -5.648 5.764 1.00 0.00 O ATOM 1627 CB ASP B 15 -2.317 -3.736 8.241 1.00 0.00 C ATOM 1628 CG ASP B 15 -3.813 -3.665 8.473 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -4.318 -4.383 9.387 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -4.506 -2.930 7.781 1.00 0.00 O ATOM 0 H ASP B 15 0.118 -4.530 7.811 1.00 0.00 H new ATOM 0 HA ASP B 15 -2.412 -5.830 7.930 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -1.800 -3.729 9.201 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -1.992 -2.849 7.698 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.819 -4.274 5.134 1.00 0.00 N ATOM 1636 CA ILE B 16 -2.337 -3.997 3.820 1.00 0.00 C ATOM 1637 C ILE B 16 -2.325 -5.226 2.962 1.00 0.00 C ATOM 1638 O ILE B 16 -3.024 -5.367 2.002 1.00 0.00 O ATOM 1639 CB ILE B 16 -1.637 -2.794 3.240 1.00 0.00 C ATOM 1640 CG1 ILE B 16 -0.121 -2.793 3.605 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -2.351 -1.559 3.796 1.00 0.00 C ATOM 1642 CD1 ILE B 16 0.174 -2.127 4.887 1.00 0.00 C ATOM 0 H ILE B 16 -0.887 -3.890 5.292 1.00 0.00 H new ATOM 0 HA ILE B 16 -3.391 -3.725 3.876 1.00 0.00 H new ATOM 0 HB ILE B 16 -1.683 -2.804 2.151 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.235 -3.822 3.649 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.436 -2.297 2.810 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.879 -0.658 3.404 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -3.399 -1.579 3.497 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -2.284 -1.559 4.884 1.00 0.00 H new ATOM 0 HD11 ILE B 16 1.247 -2.163 5.078 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.151 -1.088 4.840 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.355 -2.637 5.692 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.500 -6.050 3.384 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.349 -7.447 3.008 1.00 0.00 C ATOM 1656 C GLU B 17 -2.696 -8.181 3.087 1.00 0.00 C ATOM 1657 O GLU B 17 -3.044 -8.965 2.209 1.00 0.00 O ATOM 1658 CB GLU B 17 -0.454 -8.076 4.052 1.00 0.00 C ATOM 1659 CG GLU B 17 0.833 -8.628 3.557 1.00 0.00 C ATOM 1660 CD GLU B 17 0.672 -9.888 2.727 1.00 0.00 C ATOM 1661 OE1 GLU B 17 -0.079 -10.800 3.130 1.00 0.00 O ATOM 1662 OE2 GLU B 17 1.363 -10.027 1.703 1.00 0.00 O ATOM 0 H GLU B 17 -0.811 -5.780 4.085 1.00 0.00 H new ATOM 0 HA GLU B 17 -0.955 -7.515 1.994 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.237 -7.328 4.814 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.007 -8.878 4.541 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.338 -7.870 2.958 1.00 0.00 H new ATOM 0 HG3 GLU B 17 1.478 -8.843 4.409 1.00 0.00 H new ATOM 1669 N GLN B 18 -3.467 -7.924 4.116 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.730 -8.593 4.209 1.00 0.00 C ATOM 1671 C GLN B 18 -5.747 -7.861 3.331 1.00 0.00 C ATOM 1672 O GLN B 18 -6.725 -8.466 2.806 1.00 0.00 O ATOM 1673 CB GLN B 18 -5.222 -8.718 5.656 1.00 0.00 C ATOM 1674 CG GLN B 18 -5.736 -7.446 6.190 1.00 0.00 C ATOM 1675 CD GLN B 18 -6.317 -7.545 7.565 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -7.507 -7.801 7.727 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -5.516 -7.308 8.558 1.00 0.00 N ATOM 0 H GLN B 18 -3.248 -7.278 4.874 1.00 0.00 H new ATOM 0 HA GLN B 18 -4.607 -9.614 3.849 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -6.007 -9.472 5.705 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -4.404 -9.068 6.285 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -4.926 -6.717 6.202 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -6.499 -7.063 5.513 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -4.533 -7.099 8.382 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -5.869 -7.331 9.515 1.00 0.00 H new ATOM 1686 N TRP B 19 -5.485 -6.568 3.086 1.00 0.00 N ATOM 1687 CA TRP B 19 -6.402 -5.811 2.334 1.00 0.00 C ATOM 1688 C TRP B 19 -6.189 -6.109 0.856 1.00 0.00 C ATOM 1689 O TRP B 19 -7.095 -6.137 0.063 1.00 0.00 O ATOM 1690 CB TRP B 19 -6.330 -4.321 2.646 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.705 -4.101 4.055 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -5.878 -4.189 5.062 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -8.004 -3.792 4.640 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -6.504 -4.028 6.204 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -7.800 -3.746 6.004 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -9.296 -3.552 4.161 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -8.809 -3.476 6.911 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -10.306 -3.278 5.057 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -10.056 -3.242 6.424 1.00 0.00 C ATOM 0 H TRP B 19 -4.656 -6.066 3.404 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.414 -6.105 2.613 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.323 -3.947 2.463 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -7.000 -3.767 1.988 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -4.818 -4.371 4.967 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -6.064 -4.107 7.121 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -9.500 -3.581 3.101 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -8.612 -3.452 7.973 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -11.305 -3.089 4.693 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -10.863 -3.025 7.108 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.973 -6.347 0.508 1.00 0.00 N ATOM 1711 CA PHE B 20 -4.642 -6.727 -0.796 1.00 0.00 C ATOM 1712 C PHE B 20 -5.200 -8.100 -1.103 1.00 0.00 C ATOM 1713 O PHE B 20 -5.870 -8.278 -2.115 1.00 0.00 O ATOM 1714 CB PHE B 20 -3.120 -6.592 -1.033 1.00 0.00 C ATOM 1715 CG PHE B 20 -2.349 -7.838 -1.328 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -2.177 -8.299 -2.619 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -1.785 -8.516 -0.311 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -1.443 -9.422 -2.869 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -1.051 -9.650 -0.539 1.00 0.00 C ATOM 1720 CZ PHE B 20 -0.875 -10.103 -1.824 1.00 0.00 C ATOM 0 H PHE B 20 -4.176 -6.278 1.141 1.00 0.00 H new ATOM 0 HA PHE B 20 -5.111 -6.049 -1.509 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.970 -5.901 -1.862 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -2.683 -6.129 -0.149 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.629 -7.764 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -1.913 -8.160 0.701 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -1.311 -9.771 -3.882 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -0.612 -10.186 0.289 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.291 -10.992 -2.010 1.00 0.00 H new ATOM 1730 N THR B 21 -4.967 -9.059 -0.227 1.00 0.00 N ATOM 1731 CA THR B 21 -5.425 -10.311 -0.414 1.00 0.00 C ATOM 1732 C THR B 21 -5.727 -11.007 0.947 1.00 0.00 C ATOM 1733 O THR B 21 -4.825 -11.432 1.682 1.00 0.00 O ATOM 1734 CB THR B 21 -4.381 -11.102 -1.245 1.00 0.00 C ATOM 1735 OG1 THR B 21 -4.468 -10.827 -2.658 1.00 0.00 O ATOM 1736 CG2 THR B 21 -4.451 -12.535 -0.972 1.00 0.00 C ATOM 0 H THR B 21 -4.437 -8.928 0.634 1.00 0.00 H new ATOM 0 HA THR B 21 -6.367 -10.280 -0.962 1.00 0.00 H new ATOM 0 HB THR B 21 -3.401 -10.750 -0.922 1.00 0.00 H new ATOM 0 HG1 THR B 21 -3.713 -10.264 -2.929 1.00 0.00 H new ATOM 0 HG21 THR B 21 -3.705 -13.057 -1.572 1.00 0.00 H new ATOM 0 HG22 THR B 21 -4.256 -12.714 0.085 1.00 0.00 H new ATOM 0 HG23 THR B 21 -5.444 -12.906 -1.225 1.00 0.00 H new ATOM 1744 N GLU B 22 -6.953 -10.934 1.340 1.00 0.00 N ATOM 1745 CA GLU B 22 -7.480 -11.925 2.231 1.00 0.00 C ATOM 1746 C GLU B 22 -8.087 -12.986 1.375 1.00 0.00 C ATOM 1747 O GLU B 22 -7.499 -14.023 1.118 1.00 0.00 O ATOM 1748 CB GLU B 22 -8.455 -11.366 3.290 1.00 0.00 C ATOM 1749 CG GLU B 22 -7.775 -10.954 4.568 1.00 0.00 C ATOM 1750 CD GLU B 22 -7.100 -12.122 5.253 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -7.800 -12.937 5.890 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -5.878 -12.270 5.156 1.00 0.00 O ATOM 0 H GLU B 22 -7.611 -10.205 1.064 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.676 -12.336 2.842 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.980 -10.507 2.873 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -9.208 -12.121 3.515 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -7.035 -10.183 4.353 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -8.508 -10.512 5.243 1.00 0.00 H new ATOM 1759 N ASP B 23 -9.198 -12.673 0.907 1.00 0.00 N ATOM 1760 CA ASP B 23 -9.919 -13.427 -0.084 1.00 0.00 C ATOM 1761 C ASP B 23 -10.093 -12.537 -1.299 1.00 0.00 C ATOM 1762 O ASP B 23 -10.780 -11.524 -1.212 1.00 0.00 O ATOM 1763 CB ASP B 23 -11.287 -13.816 0.442 1.00 0.00 C ATOM 1764 CG ASP B 23 -12.124 -14.545 -0.585 1.00 0.00 C ATOM 1765 OD1 ASP B 23 -11.885 -15.736 -0.845 1.00 0.00 O ATOM 1766 OD2 ASP B 23 -13.058 -13.927 -1.142 1.00 0.00 O ATOM 0 H ASP B 23 -9.694 -11.832 1.202 1.00 0.00 H new ATOM 0 HA ASP B 23 -9.371 -14.335 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -11.167 -14.449 1.321 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -11.816 -12.919 0.765 1.00 0.00 H new ATOM 1771 N PRO B 24 -9.406 -12.809 -2.407 1.00 0.00 N ATOM 1772 CA PRO B 24 -9.572 -12.029 -3.618 1.00 0.00 C ATOM 1773 C PRO B 24 -10.894 -12.319 -4.315 1.00 0.00 C ATOM 1774 O PRO B 24 -11.575 -13.314 -4.029 1.00 0.00 O ATOM 1775 CB PRO B 24 -8.403 -12.477 -4.489 1.00 0.00 C ATOM 1776 CG PRO B 24 -8.150 -13.864 -4.049 1.00 0.00 C ATOM 1777 CD PRO B 24 -8.390 -13.859 -2.574 1.00 0.00 C ATOM 0 HA PRO B 24 -9.585 -10.958 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -8.653 -12.433 -5.549 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -7.528 -11.844 -4.341 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -8.816 -14.564 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -7.130 -14.170 -4.281 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -8.747 -14.826 -2.220 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -7.480 -13.632 -2.018 1.00 0.00 H new ATOM 1785 N GLY B 25 -11.256 -11.451 -5.194 1.00 0.00 N ATOM 1786 CA GLY B 25 -12.427 -11.640 -5.972 1.00 0.00 C ATOM 1787 C GLY B 25 -12.051 -11.613 -7.409 1.00 0.00 C ATOM 1788 O GLY B 25 -11.653 -12.663 -7.937 1.00 0.00 O ATOM 1789 OXT GLY B 25 -12.095 -10.542 -8.019 1.00 0.00 O ATOM 0 H GLY B 25 -10.747 -10.590 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.898 -12.591 -5.722 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -13.155 -10.858 -5.757 1.00 0.00 H new TER 1793 GLY B 25