USER MOD reduce.3.24.130724 H: found=0, std=0, add=1556, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 1562 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 GLN : amide:sc= 0.313 K(o=0.82,f=-6.4!) USER MOD Set 1.2: C1918 LYS NZ :NH3+ -168:sc= 0.507 (180deg=0) USER MOD Set 2.1: B 15 THR OG1 : rot -127:sc= 1.21 USER MOD Set 2.2: B 18 LYS NZ :NH3+ -159:sc= 1.28 (180deg=0.582) USER MOD Set 3.1: A 12 MET CE :methyl -160:sc= -0.323 (180deg=-0.924) USER MOD Set 3.2: A 80 SER OG : rot -130:sc= -0.411 USER MOD Set 3.3: B 12 MET CE :methyl -142:sc= -3.49! (180deg=-5.83!) USER MOD Set 3.4: B 80 SER OG : rot -152:sc= -1.06 USER MOD Set 4.1: A 81 CYS SG : rot 42:sc= -4.83! USER MOD Set 4.2: A 84 MET CE :methyl -176:sc= -2.91! (180deg=-3.03!) USER MOD Set 4.3: C1910 MET CE :methyl -166:sc= -5.32! (180deg=-6.16!) USER MOD Set 5.1: A 76 CYS SG : rot -50:sc= -4.93! USER MOD Set 5.2: B 84 MET CE :methyl 159:sc= -5.74! (180deg=-11.3!) USER MOD Set 6.1: A 64 SER OG : rot -28:sc= 1.1 USER MOD Set 6.2: C1911 ASN : amide:sc= -0.723 X(o=0.38,f=0.49) USER MOD Set 7.1: A 57 LYS NZ :NH3+ -141:sc= 2.42 (180deg=1.07) USER MOD Set 7.2: A 61 ASN : amide:sc= 0.959 K(o=2.4,f=-14!) USER MOD Set 7.3: C1904 THR OG1 : rot -36:sc= -0.973 USER MOD Set 8.1: A 15 THR OG1 : rot -136:sc= 1.27 USER MOD Set 8.2: A 18 LYS NZ :NH3+ -128:sc= 1.27 (180deg=0.536) USER MOD Single : A 3 CYS SG : rot 180:sc= 0.00988 USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 1.45 (180deg=1.09) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HE2:sc= 0.173 F(o=-0.68,f=0.17) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -83:sc= 1.05 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.073) USER MOD Single : A 30 ASN : amide:sc= -0.374! C(o=-0.37!,f=-4.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 143:sc= 1.23 (180deg=-0.172!) USER MOD Single : A 39 THR OG1 : rot 165:sc= -1.49! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0176) USER MOD Single : A 50 THR OG1 : rot 90:sc= -3.91! USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl -106:sc= -2.2! (180deg=-4.96!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.549 K(o=-0.55,f=-3.4!) USER MOD Single : A 68 ASN :FLIP amide:sc=-0.00929 F(o=-1.9!,f=-0.0093) USER MOD Single : A 75 TYR OH : rot -15:sc= -1.77 USER MOD Single : A 85 MET CE :methyl 172:sc= -10.5! (180deg=-11.4!) USER MOD Single : A 86 CYS SG : rot -28:sc= 0.0788 USER MOD Single : A 87 ASN : amide:sc= 0.868 K(o=0.87,f=0) USER MOD Single : B 3 CYS SG : rot 180:sc= 0.0161 USER MOD Single : B 7 LYS NZ :NH3+ -172:sc= 1.48 (180deg=1.06) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 HIS :FLIP no HE2:sc= 0.0976 F(o=-0.48,f=0.098) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -89:sc= 1.14 USER MOD Single : B 28 LYS NZ :NH3+ -128:sc= 1.22 (180deg=0.527) USER MOD Single : B 30 ASN : amide:sc= 0.147! C(o=0.15!,f=-4.6!) USER MOD Single : B 31 LYS NZ :NH3+ 159:sc= -0.491 (180deg=-0.573) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 160:sc= -1.44! USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 168:sc= -0.0101 (180deg=-0.169) USER MOD Single : B 50 THR OG1 : rot 46:sc= 0.503 USER MOD Single : B 56 GLN : amide:sc= -1.21 K(o=-1.2,f=-5.4!) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 MET CE :methyl 175:sc= -3.97 (180deg=-4.2) USER MOD Single : B 60 SER OG : rot -25:sc= 0.16 USER MOD Single : B 61 ASN : amide:sc= -0.28 K(o=-0.28,f=-1.7) USER MOD Single : B 64 SER OG : rot 70:sc= 0.406 USER MOD Single : B 65 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : B 68 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : B 73 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.3) USER MOD Single : B 75 TYR OH : rot 0:sc= -0.751 USER MOD Single : B 76 CYS SG : rot 71:sc= -0.513 USER MOD Single : B 81 CYS SG : rot 76:sc= -12.9! USER MOD Single : B 85 MET CE :methyl -134:sc= -0.133 (180deg=-1.42) USER MOD Single : B 86 CYS SG : rot 50:sc= -4.8! USER MOD Single : B 87 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.52) USER MOD Single : C1906 THR OG1 : rot 180:sc= 0.048 USER MOD Single : C1915 SER OG : rot 180:sc= 0 USER MOD Single : C1916 SER OG : rot 180:sc= 0 USER MOD Single : C1919 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : C1920 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU C1899 -14.818 -8.426 1.778 1.00 0.40 N ATOM 45 CA GLU C1899 -13.426 -8.792 1.704 1.00 0.29 C ATOM 46 C GLU C1899 -12.645 -7.803 2.538 1.00 0.24 C ATOM 47 O GLU C1899 -11.601 -8.118 3.104 1.00 0.27 O ATOM 48 CB GLU C1899 -12.959 -8.717 0.262 1.00 0.30 C ATOM 49 CG GLU C1899 -13.409 -7.430 -0.405 1.00 0.35 C ATOM 50 CD GLU C1899 -14.780 -7.572 -1.025 1.00 0.62 C ATOM 51 OE1 GLU C1899 -14.873 -8.187 -2.108 1.00 0.76 O ATOM 52 OE2 GLU C1899 -15.751 -7.014 -0.473 1.00 0.97 O ATOM 0 HA GLU C1899 -13.276 -9.807 2.072 1.00 0.29 H new ATOM 0 HB2 GLU C1899 -11.872 -8.785 0.227 1.00 0.30 H new ATOM 0 HB3 GLU C1899 -13.349 -9.571 -0.292 1.00 0.30 H new ATOM 0 HG2 GLU C1899 -13.423 -6.625 0.330 1.00 0.35 H new ATOM 0 HG3 GLU C1899 -12.689 -7.147 -1.173 1.00 0.35 H new ATOM 59 N LEU C1900 -13.210 -6.597 2.632 1.00 0.24 N ATOM 60 CA LEU C1900 -12.609 -5.508 3.370 1.00 0.25 C ATOM 61 C LEU C1900 -12.634 -5.793 4.870 1.00 0.28 C ATOM 62 O LEU C1900 -12.172 -4.986 5.674 1.00 0.44 O ATOM 63 CB LEU C1900 -13.305 -4.174 3.063 1.00 0.33 C ATOM 64 CG LEU C1900 -13.086 -3.581 1.665 1.00 0.20 C ATOM 65 CD1 LEU C1900 -11.619 -3.607 1.277 1.00 0.22 C ATOM 66 CD2 LEU C1900 -13.934 -4.259 0.625 1.00 0.31 C ATOM 0 H LEU C1900 -14.099 -6.358 2.194 1.00 0.24 H new ATOM 0 HA LEU C1900 -11.570 -5.425 3.051 1.00 0.25 H new ATOM 0 HB2 LEU C1900 -14.377 -4.309 3.210 1.00 0.33 H new ATOM 0 HB3 LEU C1900 -12.972 -3.441 3.798 1.00 0.33 H new ATOM 0 HG LEU C1900 -13.403 -2.539 1.709 1.00 0.20 H new ATOM 0 HD11 LEU C1900 -11.498 -3.180 0.281 1.00 0.22 H new ATOM 0 HD12 LEU C1900 -11.042 -3.023 1.995 1.00 0.22 H new ATOM 0 HD13 LEU C1900 -11.261 -4.637 1.276 1.00 0.22 H new ATOM 0 HD21 LEU C1900 -13.746 -3.807 -0.349 1.00 0.31 H new ATOM 0 HD22 LEU C1900 -13.685 -5.319 0.587 1.00 0.31 H new ATOM 0 HD23 LEU C1900 -14.987 -4.143 0.882 1.00 0.31 H new ATOM 78 N GLU C1901 -13.177 -6.946 5.237 1.00 0.27 N ATOM 79 CA GLU C1901 -13.112 -7.419 6.605 1.00 0.34 C ATOM 80 C GLU C1901 -11.678 -7.821 6.904 1.00 0.37 C ATOM 81 O GLU C1901 -10.972 -7.137 7.636 1.00 0.52 O ATOM 82 CB GLU C1901 -14.040 -8.618 6.800 1.00 0.48 C ATOM 83 CG GLU C1901 -14.268 -8.978 8.254 1.00 1.00 C ATOM 84 CD GLU C1901 -15.028 -7.899 8.986 1.00 1.11 C ATOM 85 OE1 GLU C1901 -16.269 -7.848 8.867 1.00 1.44 O ATOM 86 OE2 GLU C1901 -14.384 -7.100 9.694 1.00 1.48 O ATOM 0 H GLU C1901 -13.669 -7.571 4.599 1.00 0.27 H new ATOM 0 HA GLU C1901 -13.432 -6.628 7.283 1.00 0.34 H new ATOM 0 HB2 GLU C1901 -15.001 -8.403 6.333 1.00 0.48 H new ATOM 0 HB3 GLU C1901 -13.620 -9.480 6.282 1.00 0.48 H new ATOM 0 HG2 GLU C1901 -14.820 -9.916 8.314 1.00 1.00 H new ATOM 0 HG3 GLU C1901 -13.308 -9.142 8.743 1.00 1.00 H new ATOM 93 N ASP C1902 -11.247 -8.914 6.278 1.00 0.37 N ATOM 94 CA ASP C1902 -9.868 -9.381 6.376 1.00 0.46 C ATOM 95 C ASP C1902 -8.918 -8.361 5.766 1.00 0.44 C ATOM 96 O ASP C1902 -7.732 -8.324 6.093 1.00 0.58 O ATOM 97 CB ASP C1902 -9.696 -10.714 5.638 1.00 0.60 C ATOM 98 CG ASP C1902 -10.423 -11.870 6.292 1.00 1.18 C ATOM 99 OD1 ASP C1902 -11.672 -11.846 6.321 1.00 2.01 O ATOM 100 OD2 ASP C1902 -9.751 -12.799 6.795 1.00 1.42 O ATOM 0 H ASP C1902 -11.842 -9.498 5.691 1.00 0.37 H new ATOM 0 HA ASP C1902 -9.636 -9.516 7.432 1.00 0.46 H new ATOM 0 HB2 ASP C1902 -10.056 -10.602 4.615 1.00 0.60 H new ATOM 0 HB3 ASP C1902 -8.634 -10.952 5.578 1.00 0.60 H new ATOM 105 N ALA C1903 -9.451 -7.552 4.859 1.00 0.36 N ATOM 106 CA ALA C1903 -8.666 -6.547 4.160 1.00 0.46 C ATOM 107 C ALA C1903 -8.096 -5.518 5.104 1.00 0.37 C ATOM 108 O ALA C1903 -6.905 -5.500 5.398 1.00 0.37 O ATOM 109 CB ALA C1903 -9.524 -5.808 3.147 1.00 0.66 C ATOM 0 H ALA C1903 -10.434 -7.575 4.589 1.00 0.36 H new ATOM 0 HA ALA C1903 -7.853 -7.081 3.668 1.00 0.46 H new ATOM 0 HB1 ALA C1903 -8.919 -5.060 2.634 1.00 0.66 H new ATOM 0 HB2 ALA C1903 -9.919 -6.517 2.419 1.00 0.66 H new ATOM 0 HB3 ALA C1903 -10.350 -5.316 3.660 1.00 0.66 H new ATOM 115 N THR C1904 -8.978 -4.681 5.604 1.00 0.37 N ATOM 116 CA THR C1904 -8.565 -3.462 6.238 1.00 0.36 C ATOM 117 C THR C1904 -8.648 -3.557 7.751 1.00 0.34 C ATOM 118 O THR C1904 -8.357 -2.596 8.459 1.00 0.36 O ATOM 119 CB THR C1904 -9.389 -2.292 5.683 1.00 0.40 C ATOM 120 OG1 THR C1904 -10.791 -2.542 5.846 1.00 0.42 O ATOM 121 CG2 THR C1904 -9.082 -2.113 4.204 1.00 0.40 C ATOM 0 H THR C1904 -9.987 -4.828 5.581 1.00 0.37 H new ATOM 0 HA THR C1904 -7.515 -3.283 6.007 1.00 0.36 H new ATOM 0 HB THR C1904 -9.125 -1.388 6.232 1.00 0.40 H new ATOM 0 HG1 THR C1904 -10.971 -3.496 5.709 1.00 0.42 H new ATOM 0 HG21 THR C1904 -9.667 -1.282 3.809 1.00 0.40 H new ATOM 0 HG22 THR C1904 -8.020 -1.903 4.076 1.00 0.40 H new ATOM 0 HG23 THR C1904 -9.339 -3.026 3.666 1.00 0.40 H new ATOM 129 N GLU C1905 -9.032 -4.726 8.245 1.00 0.32 N ATOM 130 CA GLU C1905 -8.888 -5.036 9.660 1.00 0.32 C ATOM 131 C GLU C1905 -7.443 -4.812 10.039 1.00 0.28 C ATOM 132 O GLU C1905 -7.115 -4.136 11.016 1.00 0.32 O ATOM 133 CB GLU C1905 -9.213 -6.499 9.900 1.00 0.36 C ATOM 134 CG GLU C1905 -9.184 -6.919 11.357 1.00 0.62 C ATOM 135 CD GLU C1905 -10.369 -6.399 12.152 1.00 1.25 C ATOM 136 OE1 GLU C1905 -11.477 -6.958 12.015 1.00 2.06 O ATOM 137 OE2 GLU C1905 -10.204 -5.412 12.899 1.00 1.76 O ATOM 0 H GLU C1905 -9.445 -5.474 7.688 1.00 0.32 H new ATOM 0 HA GLU C1905 -9.559 -4.408 10.247 1.00 0.32 H new ATOM 0 HB2 GLU C1905 -10.202 -6.710 9.494 1.00 0.36 H new ATOM 0 HB3 GLU C1905 -8.503 -7.112 9.344 1.00 0.36 H new ATOM 0 HG2 GLU C1905 -9.165 -8.007 11.415 1.00 0.62 H new ATOM 0 HG3 GLU C1905 -8.262 -6.560 11.814 1.00 0.62 H new ATOM 144 N THR C1906 -6.591 -5.386 9.211 1.00 0.25 N ATOM 145 CA THR C1906 -5.169 -5.287 9.372 1.00 0.24 C ATOM 146 C THR C1906 -4.674 -3.911 8.943 1.00 0.21 C ATOM 147 O THR C1906 -3.558 -3.515 9.287 1.00 0.19 O ATOM 148 CB THR C1906 -4.479 -6.376 8.541 1.00 0.29 C ATOM 149 OG1 THR C1906 -5.401 -7.453 8.325 1.00 0.48 O ATOM 150 CG2 THR C1906 -3.260 -6.909 9.268 1.00 0.47 C ATOM 0 H THR C1906 -6.878 -5.938 8.403 1.00 0.25 H new ATOM 0 HA THR C1906 -4.925 -5.426 10.425 1.00 0.24 H new ATOM 0 HB THR C1906 -4.164 -5.947 7.590 1.00 0.29 H new ATOM 0 HG1 THR C1906 -4.968 -8.153 7.793 1.00 0.48 H new ATOM 0 HG21 THR C1906 -2.784 -7.681 8.663 1.00 0.47 H new ATOM 0 HG22 THR C1906 -2.555 -6.096 9.440 1.00 0.47 H new ATOM 0 HG23 THR C1906 -3.564 -7.334 10.225 1.00 0.47 H new ATOM 158 N ALA C1907 -5.508 -3.182 8.187 1.00 0.23 N ATOM 159 CA ALA C1907 -5.159 -1.817 7.804 1.00 0.21 C ATOM 160 C ALA C1907 -4.895 -0.963 9.031 1.00 0.21 C ATOM 161 O ALA C1907 -3.948 -0.180 9.056 1.00 0.21 O ATOM 162 CB ALA C1907 -6.227 -1.161 6.936 1.00 0.22 C ATOM 0 H ALA C1907 -6.408 -3.510 7.838 1.00 0.23 H new ATOM 0 HA ALA C1907 -4.249 -1.886 7.208 1.00 0.21 H new ATOM 0 HB1 ALA C1907 -5.916 -0.148 6.680 1.00 0.22 H new ATOM 0 HB2 ALA C1907 -6.360 -1.741 6.023 1.00 0.22 H new ATOM 0 HB3 ALA C1907 -7.169 -1.124 7.483 1.00 0.22 H new ATOM 168 N ASP C1908 -5.728 -1.126 10.053 1.00 0.24 N ATOM 169 CA ASP C1908 -5.556 -0.393 11.303 1.00 0.26 C ATOM 170 C ASP C1908 -4.171 -0.649 11.898 1.00 0.27 C ATOM 171 O ASP C1908 -3.508 0.277 12.362 1.00 0.34 O ATOM 172 CB ASP C1908 -6.639 -0.780 12.309 1.00 0.33 C ATOM 173 CG ASP C1908 -6.580 0.059 13.572 1.00 0.44 C ATOM 174 OD1 ASP C1908 -7.162 1.165 13.583 1.00 0.58 O ATOM 175 OD2 ASP C1908 -5.960 -0.387 14.561 1.00 0.68 O ATOM 0 H ASP C1908 -6.528 -1.758 10.041 1.00 0.24 H new ATOM 0 HA ASP C1908 -5.647 0.671 11.083 1.00 0.26 H new ATOM 0 HB2 ASP C1908 -7.619 -0.666 11.846 1.00 0.33 H new ATOM 0 HB3 ASP C1908 -6.530 -1.833 12.570 1.00 0.33 H new ATOM 180 N ALA C1909 -3.726 -1.903 11.855 1.00 0.23 N ATOM 181 CA ALA C1909 -2.405 -2.256 12.371 1.00 0.24 C ATOM 182 C ALA C1909 -1.301 -1.661 11.499 1.00 0.22 C ATOM 183 O ALA C1909 -0.453 -0.914 11.991 1.00 0.24 O ATOM 184 CB ALA C1909 -2.249 -3.763 12.476 1.00 0.27 C ATOM 0 H ALA C1909 -4.255 -2.686 11.472 1.00 0.23 H new ATOM 0 HA ALA C1909 -2.313 -1.833 13.371 1.00 0.24 H new ATOM 0 HB1 ALA C1909 -1.258 -4.000 12.862 1.00 0.27 H new ATOM 0 HB2 ALA C1909 -3.006 -4.161 13.151 1.00 0.27 H new ATOM 0 HB3 ALA C1909 -2.371 -4.211 11.490 1.00 0.27 H new ATOM 190 N MET C1910 -1.317 -1.999 10.204 1.00 0.19 N ATOM 191 CA MET C1910 -0.400 -1.402 9.231 1.00 0.19 C ATOM 192 C MET C1910 -0.338 0.115 9.355 1.00 0.19 C ATOM 193 O MET C1910 0.700 0.702 9.130 1.00 0.22 O ATOM 194 CB MET C1910 -0.805 -1.790 7.803 1.00 0.18 C ATOM 195 CG MET C1910 -0.166 -0.934 6.706 1.00 0.20 C ATOM 196 SD MET C1910 -0.508 -1.578 5.064 1.00 0.20 S ATOM 197 CE MET C1910 0.110 -3.249 5.235 1.00 0.14 C ATOM 0 H MET C1910 -1.958 -2.686 9.807 1.00 0.19 H new ATOM 0 HA MET C1910 0.594 -1.794 9.447 1.00 0.19 H new ATOM 0 HB2 MET C1910 -0.538 -2.833 7.634 1.00 0.18 H new ATOM 0 HB3 MET C1910 -1.889 -1.720 7.715 1.00 0.18 H new ATOM 0 HG2 MET C1910 -0.539 0.087 6.780 1.00 0.20 H new ATOM 0 HG3 MET C1910 0.912 -0.891 6.861 1.00 0.20 H new ATOM 0 HE1 MET C1910 0.204 -3.705 4.249 1.00 0.14 H new ATOM 0 HE2 MET C1910 1.086 -3.228 5.719 1.00 0.14 H new ATOM 0 HE3 MET C1910 -0.583 -3.833 5.841 1.00 0.14 H new ATOM 207 N ASN C1911 -1.435 0.744 9.724 1.00 0.21 N ATOM 208 CA ASN C1911 -1.489 2.200 9.797 1.00 0.22 C ATOM 209 C ASN C1911 -0.584 2.754 10.885 1.00 0.23 C ATOM 210 O ASN C1911 0.047 3.796 10.713 1.00 0.27 O ATOM 211 CB ASN C1911 -2.914 2.655 10.055 1.00 0.24 C ATOM 212 CG ASN C1911 -3.043 4.153 9.983 1.00 0.25 C ATOM 213 OD1 ASN C1911 -2.920 4.857 10.987 1.00 0.42 O ATOM 214 ND2 ASN C1911 -3.273 4.645 8.785 1.00 0.25 N ATOM 0 H ASN C1911 -2.304 0.275 9.979 1.00 0.21 H new ATOM 0 HA ASN C1911 -1.138 2.583 8.839 1.00 0.22 H new ATOM 0 HB2 ASN C1911 -3.580 2.197 9.324 1.00 0.24 H new ATOM 0 HB3 ASN C1911 -3.234 2.309 11.038 1.00 0.24 H new ATOM 0 HD21 ASN C1911 -3.358 5.653 8.655 1.00 0.25 H new ATOM 0 HD22 ASN C1911 -3.367 4.018 7.986 1.00 0.25 H new ATOM 221 N ARG C1912 -0.514 2.059 11.998 1.00 0.23 N ATOM 222 CA ARG C1912 0.270 2.538 13.121 1.00 0.26 C ATOM 223 C ARG C1912 1.741 2.482 12.762 1.00 0.28 C ATOM 224 O ARG C1912 2.491 3.433 12.977 1.00 0.38 O ATOM 225 CB ARG C1912 0.001 1.695 14.364 1.00 0.30 C ATOM 226 CG ARG C1912 -1.476 1.406 14.598 1.00 0.75 C ATOM 227 CD ARG C1912 -2.337 2.645 14.387 1.00 1.46 C ATOM 228 NE ARG C1912 -2.018 3.721 15.325 1.00 2.17 N ATOM 229 CZ ARG C1912 -2.472 4.967 15.203 1.00 2.91 C ATOM 230 NH1 ARG C1912 -3.252 5.293 14.178 1.00 3.13 N ATOM 231 NH2 ARG C1912 -2.144 5.886 16.103 1.00 3.76 N ATOM 0 H ARG C1912 -0.985 1.167 12.152 1.00 0.23 H new ATOM 0 HA ARG C1912 -0.014 3.567 13.341 1.00 0.26 H new ATOM 0 HB2 ARG C1912 0.538 0.750 14.275 1.00 0.30 H new ATOM 0 HB3 ARG C1912 0.404 2.210 15.236 1.00 0.30 H new ATOM 0 HG2 ARG C1912 -1.803 0.617 13.921 1.00 0.75 H new ATOM 0 HG3 ARG C1912 -1.617 1.034 15.613 1.00 0.75 H new ATOM 0 HD2 ARG C1912 -2.203 3.006 13.367 1.00 1.46 H new ATOM 0 HD3 ARG C1912 -3.388 2.375 14.494 1.00 1.46 H new ATOM 0 HE ARG C1912 -1.413 3.505 16.118 1.00 2.17 H new ATOM 0 HH11 ARG C1912 -3.503 4.589 13.484 1.00 3.13 H new ATOM 0 HH12 ARG C1912 -3.600 6.247 14.085 1.00 3.13 H new ATOM 0 HH21 ARG C1912 -1.543 5.638 16.889 1.00 3.76 H new ATOM 0 HH22 ARG C1912 -2.493 6.840 16.008 1.00 3.76 H new ATOM 245 N GLU C1913 2.132 1.363 12.182 1.00 0.23 N ATOM 246 CA GLU C1913 3.497 1.161 11.751 1.00 0.25 C ATOM 247 C GLU C1913 3.794 1.965 10.492 1.00 0.22 C ATOM 248 O GLU C1913 4.887 2.474 10.338 1.00 0.27 O ATOM 249 CB GLU C1913 3.752 -0.319 11.501 1.00 0.29 C ATOM 250 CG GLU C1913 2.768 -0.936 10.528 1.00 0.29 C ATOM 251 CD GLU C1913 3.001 -2.413 10.314 1.00 0.39 C ATOM 252 OE1 GLU C1913 3.414 -3.101 11.275 1.00 0.79 O ATOM 253 OE2 GLU C1913 2.745 -2.897 9.196 1.00 0.57 O ATOM 0 H GLU C1913 1.513 0.573 11.998 1.00 0.23 H new ATOM 0 HA GLU C1913 4.161 1.509 12.542 1.00 0.25 H new ATOM 0 HB2 GLU C1913 4.764 -0.447 11.116 1.00 0.29 H new ATOM 0 HB3 GLU C1913 3.702 -0.855 12.449 1.00 0.29 H new ATOM 0 HG2 GLU C1913 1.754 -0.783 10.898 1.00 0.29 H new ATOM 0 HG3 GLU C1913 2.839 -0.420 9.571 1.00 0.29 H new ATOM 260 N VAL C1914 2.805 2.087 9.609 1.00 0.19 N ATOM 261 CA VAL C1914 2.970 2.793 8.338 1.00 0.20 C ATOM 262 C VAL C1914 3.365 4.234 8.586 1.00 0.18 C ATOM 263 O VAL C1914 4.167 4.812 7.855 1.00 0.20 O ATOM 264 CB VAL C1914 1.667 2.750 7.486 1.00 0.24 C ATOM 265 CG1 VAL C1914 0.761 3.937 7.759 1.00 0.26 C ATOM 266 CG2 VAL C1914 1.974 2.669 6.011 1.00 0.29 C ATOM 0 H VAL C1914 1.871 1.702 9.752 1.00 0.19 H new ATOM 0 HA VAL C1914 3.759 2.287 7.782 1.00 0.20 H new ATOM 0 HB VAL C1914 1.137 1.846 7.786 1.00 0.24 H new ATOM 0 HG11 VAL C1914 -0.134 3.861 7.141 1.00 0.26 H new ATOM 0 HG12 VAL C1914 0.476 3.943 8.811 1.00 0.26 H new ATOM 0 HG13 VAL C1914 1.289 4.860 7.521 1.00 0.26 H new ATOM 0 HG21 VAL C1914 1.042 2.641 5.446 1.00 0.29 H new ATOM 0 HG22 VAL C1914 2.553 3.542 5.711 1.00 0.29 H new ATOM 0 HG23 VAL C1914 2.549 1.765 5.808 1.00 0.29 H new ATOM 276 N SER C1915 2.810 4.796 9.644 1.00 0.21 N ATOM 277 CA SER C1915 3.025 6.180 9.969 1.00 0.28 C ATOM 278 C SER C1915 4.450 6.372 10.481 1.00 0.28 C ATOM 279 O SER C1915 5.082 7.399 10.235 1.00 0.36 O ATOM 280 CB SER C1915 1.993 6.604 10.997 1.00 0.36 C ATOM 281 OG SER C1915 1.933 8.016 11.127 1.00 1.31 O ATOM 0 H SER C1915 2.201 4.302 10.296 1.00 0.21 H new ATOM 0 HA SER C1915 2.908 6.806 9.085 1.00 0.28 H new ATOM 0 HB2 SER C1915 1.013 6.223 10.708 1.00 0.36 H new ATOM 0 HB3 SER C1915 2.236 6.159 11.962 1.00 0.36 H new ATOM 0 HG SER C1915 1.257 8.255 11.796 1.00 1.31 H new ATOM 287 N SER C1916 4.959 5.359 11.171 1.00 0.25 N ATOM 288 CA SER C1916 6.342 5.372 11.623 1.00 0.27 C ATOM 289 C SER C1916 7.283 4.932 10.502 1.00 0.27 C ATOM 290 O SER C1916 8.380 5.468 10.349 1.00 0.29 O ATOM 291 CB SER C1916 6.515 4.456 12.838 1.00 0.31 C ATOM 292 OG SER C1916 7.861 4.442 13.283 1.00 1.04 O ATOM 0 H SER C1916 4.436 4.522 11.428 1.00 0.25 H new ATOM 0 HA SER C1916 6.595 6.393 11.909 1.00 0.27 H new ATOM 0 HB2 SER C1916 5.866 4.793 13.646 1.00 0.31 H new ATOM 0 HB3 SER C1916 6.204 3.444 12.580 1.00 0.31 H new ATOM 0 HG SER C1916 7.942 3.851 14.060 1.00 1.04 H new ATOM 298 N LEU C1917 6.843 3.963 9.712 1.00 0.30 N ATOM 299 CA LEU C1917 7.678 3.365 8.691 1.00 0.30 C ATOM 300 C LEU C1917 7.907 4.325 7.522 1.00 0.26 C ATOM 301 O LEU C1917 9.046 4.509 7.097 1.00 0.26 O ATOM 302 CB LEU C1917 7.094 2.021 8.219 1.00 0.42 C ATOM 303 CG LEU C1917 8.039 1.148 7.375 1.00 0.57 C ATOM 304 CD1 LEU C1917 7.473 -0.237 7.162 1.00 1.25 C ATOM 305 CD2 LEU C1917 8.286 1.773 6.032 1.00 1.16 C ATOM 0 H LEU C1917 5.902 3.574 9.763 1.00 0.30 H new ATOM 0 HA LEU C1917 8.653 3.162 9.133 1.00 0.30 H new ATOM 0 HB2 LEU C1917 6.786 1.451 9.095 1.00 0.42 H new ATOM 0 HB3 LEU C1917 6.194 2.220 7.637 1.00 0.42 H new ATOM 0 HG LEU C1917 8.975 1.072 7.928 1.00 0.57 H new ATOM 0 HD11 LEU C1917 8.167 -0.825 6.562 1.00 1.25 H new ATOM 0 HD12 LEU C1917 7.326 -0.722 8.127 1.00 1.25 H new ATOM 0 HD13 LEU C1917 6.517 -0.164 6.643 1.00 1.25 H new ATOM 0 HD21 LEU C1917 8.957 1.138 5.453 1.00 1.16 H new ATOM 0 HD22 LEU C1917 7.340 1.881 5.501 1.00 1.16 H new ATOM 0 HD23 LEU C1917 8.741 2.755 6.166 1.00 1.16 H new ATOM 317 N LYS C1918 6.858 4.954 6.997 1.00 0.28 N ATOM 318 CA LYS C1918 7.055 5.865 5.871 1.00 0.29 C ATOM 319 C LYS C1918 7.908 7.046 6.335 1.00 0.32 C ATOM 320 O LYS C1918 8.493 7.774 5.535 1.00 0.38 O ATOM 321 CB LYS C1918 5.726 6.328 5.242 1.00 0.39 C ATOM 322 CG LYS C1918 5.285 7.718 5.637 1.00 0.29 C ATOM 323 CD LYS C1918 4.746 7.727 7.060 1.00 0.40 C ATOM 324 CE LYS C1918 4.584 9.127 7.606 1.00 0.69 C ATOM 325 NZ LYS C1918 3.374 9.814 7.069 1.00 1.36 N ATOM 0 H LYS C1918 5.895 4.856 7.318 1.00 0.28 H new ATOM 0 HA LYS C1918 7.578 5.330 5.078 1.00 0.29 H new ATOM 0 HB2 LYS C1918 5.821 6.287 4.157 1.00 0.39 H new ATOM 0 HB3 LYS C1918 4.944 5.622 5.520 1.00 0.39 H new ATOM 0 HG2 LYS C1918 6.125 8.408 5.557 1.00 0.29 H new ATOM 0 HG3 LYS C1918 4.516 8.070 4.949 1.00 0.29 H new ATOM 0 HD2 LYS C1918 3.783 7.217 7.084 1.00 0.40 H new ATOM 0 HD3 LYS C1918 5.421 7.164 7.705 1.00 0.40 H new ATOM 0 HE2 LYS C1918 4.521 9.084 8.693 1.00 0.69 H new ATOM 0 HE3 LYS C1918 5.469 9.714 7.361 1.00 0.69 H new ATOM 0 HZ1 LYS C1918 3.415 10.825 7.307 1.00 1.36 H new ATOM 0 HZ2 LYS C1918 3.342 9.703 6.035 1.00 1.36 H new ATOM 0 HZ3 LYS C1918 2.521 9.393 7.489 1.00 1.36 H new ATOM 339 N ASN C1919 7.982 7.196 7.654 1.00 0.31 N ATOM 340 CA ASN C1919 8.830 8.191 8.284 1.00 0.33 C ATOM 341 C ASN C1919 10.288 7.727 8.291 1.00 0.32 C ATOM 342 O ASN C1919 11.195 8.524 8.055 1.00 0.41 O ATOM 343 CB ASN C1919 8.345 8.464 9.714 1.00 0.37 C ATOM 344 CG ASN C1919 9.284 9.362 10.497 1.00 0.43 C ATOM 345 OD1 ASN C1919 9.208 10.584 10.408 1.00 1.05 O ATOM 346 ND2 ASN C1919 10.161 8.762 11.289 1.00 1.15 N ATOM 0 H ASN C1919 7.452 6.627 8.314 1.00 0.31 H new ATOM 0 HA ASN C1919 8.770 9.116 7.711 1.00 0.33 H new ATOM 0 HB2 ASN C1919 7.358 8.925 9.675 1.00 0.37 H new ATOM 0 HB3 ASN C1919 8.234 7.516 10.241 1.00 0.37 H new ATOM 0 HD21 ASN C1919 10.804 9.319 11.852 1.00 1.15 H new ATOM 0 HD22 ASN C1919 10.193 7.744 11.335 1.00 1.15 H new ATOM 353 N LYS C1920 10.517 6.434 8.536 1.00 0.28 N ATOM 354 CA LYS C1920 11.875 5.904 8.542 1.00 0.37 C ATOM 355 C LYS C1920 12.405 5.767 7.124 1.00 0.41 C ATOM 356 O LYS C1920 13.606 5.894 6.890 1.00 0.53 O ATOM 357 CB LYS C1920 11.998 4.569 9.315 1.00 0.48 C ATOM 358 CG LYS C1920 10.765 3.660 9.320 1.00 0.33 C ATOM 359 CD LYS C1920 10.960 2.494 10.281 1.00 0.44 C ATOM 360 CE LYS C1920 11.193 2.975 11.708 1.00 1.36 C ATOM 361 NZ LYS C1920 11.448 1.849 12.644 1.00 1.64 N ATOM 0 H LYS C1920 9.789 5.747 8.730 1.00 0.28 H new ATOM 0 HA LYS C1920 12.492 6.626 9.078 1.00 0.37 H new ATOM 0 HB2 LYS C1920 12.832 4.008 8.894 1.00 0.48 H new ATOM 0 HB3 LYS C1920 12.256 4.797 10.349 1.00 0.48 H new ATOM 0 HG2 LYS C1920 9.885 4.234 9.610 1.00 0.33 H new ATOM 0 HG3 LYS C1920 10.581 3.282 8.314 1.00 0.33 H new ATOM 0 HD2 LYS C1920 10.082 1.848 10.253 1.00 0.44 H new ATOM 0 HD3 LYS C1920 11.809 1.892 9.956 1.00 0.44 H new ATOM 0 HE2 LYS C1920 12.041 3.659 11.725 1.00 1.36 H new ATOM 0 HE3 LYS C1920 10.323 3.537 12.047 1.00 1.36 H new ATOM 0 HZ1 LYS C1920 11.601 2.222 13.603 1.00 1.64 H new ATOM 0 HZ2 LYS C1920 10.628 1.209 12.648 1.00 1.64 H new ATOM 0 HZ3 LYS C1920 12.293 1.327 12.337 1.00 1.64 H new ATOM 375 N LEU C1921 11.514 5.546 6.173 1.00 0.38 N ATOM 376 CA LEU C1921 11.922 5.437 4.782 1.00 0.46 C ATOM 377 C LEU C1921 12.231 6.807 4.193 1.00 0.59 C ATOM 378 O LEU C1921 13.051 6.943 3.293 1.00 0.92 O ATOM 379 CB LEU C1921 10.856 4.736 3.941 1.00 0.44 C ATOM 380 CG LEU C1921 10.468 3.334 4.410 1.00 0.38 C ATOM 381 CD1 LEU C1921 9.722 2.596 3.315 1.00 0.40 C ATOM 382 CD2 LEU C1921 11.683 2.537 4.851 1.00 0.48 C ATOM 0 H LEU C1921 10.513 5.439 6.335 1.00 0.38 H new ATOM 0 HA LEU C1921 12.829 4.833 4.759 1.00 0.46 H new ATOM 0 HB2 LEU C1921 9.961 5.357 3.929 1.00 0.44 H new ATOM 0 HB3 LEU C1921 11.213 4.671 2.913 1.00 0.44 H new ATOM 0 HG LEU C1921 9.811 3.444 5.273 1.00 0.38 H new ATOM 0 HD11 LEU C1921 9.453 1.600 3.666 1.00 0.40 H new ATOM 0 HD12 LEU C1921 8.817 3.146 3.057 1.00 0.40 H new ATOM 0 HD13 LEU C1921 10.359 2.511 2.434 1.00 0.40 H new ATOM 0 HD21 LEU C1921 11.369 1.546 5.178 1.00 0.48 H new ATOM 0 HD22 LEU C1921 12.378 2.441 4.016 1.00 0.48 H new ATOM 0 HD23 LEU C1921 12.176 3.052 5.676 1.00 0.48 H new ATOM 394 N ARG C1922 11.583 7.826 4.713 1.00 0.49 N ATOM 395 CA ARG C1922 11.760 9.170 4.196 1.00 0.66 C ATOM 396 C ARG C1922 12.712 9.962 5.093 1.00 0.65 C ATOM 397 O ARG C1922 12.954 11.149 4.873 1.00 0.78 O ATOM 398 CB ARG C1922 10.390 9.838 4.075 1.00 0.87 C ATOM 399 CG ARG C1922 10.332 11.061 3.167 1.00 1.15 C ATOM 400 CD ARG C1922 11.201 10.925 1.924 1.00 1.07 C ATOM 401 NE ARG C1922 12.548 11.456 2.131 1.00 1.64 N ATOM 402 CZ ARG C1922 13.316 11.935 1.151 1.00 2.45 C ATOM 403 NH1 ARG C1922 12.888 11.906 -0.103 1.00 2.92 N ATOM 404 NH2 ARG C1922 14.509 12.444 1.427 1.00 3.23 N ATOM 0 H ARG C1922 10.929 7.753 5.492 1.00 0.49 H new ATOM 0 HA ARG C1922 12.213 9.137 3.205 1.00 0.66 H new ATOM 0 HB2 ARG C1922 9.677 9.100 3.707 1.00 0.87 H new ATOM 0 HB3 ARG C1922 10.059 10.131 5.071 1.00 0.87 H new ATOM 0 HG2 ARG C1922 9.299 11.232 2.864 1.00 1.15 H new ATOM 0 HG3 ARG C1922 10.649 11.939 3.730 1.00 1.15 H new ATOM 0 HD2 ARG C1922 11.266 9.874 1.641 1.00 1.07 H new ATOM 0 HD3 ARG C1922 10.729 11.450 1.093 1.00 1.07 H new ATOM 0 HE ARG C1922 12.922 11.460 3.080 1.00 1.64 H new ATOM 0 HH11 ARG C1922 11.970 11.517 -0.320 1.00 2.92 H new ATOM 0 HH12 ARG C1922 13.476 12.273 -0.851 1.00 2.92 H new ATOM 0 HH21 ARG C1922 14.842 12.470 2.391 1.00 3.23 H new ATOM 0 HH22 ARG C1922 15.094 12.809 0.675 1.00 3.23 H new ATOM 461 N LEU C1926 17.756 6.203 4.568 1.00 0.64 N ATOM 462 CA LEU C1926 17.272 5.357 3.499 1.00 0.60 C ATOM 463 C LEU C1926 17.884 5.722 2.161 1.00 0.54 C ATOM 464 O LEU C1926 18.106 6.897 1.863 1.00 0.72 O ATOM 465 CB LEU C1926 15.764 5.509 3.377 1.00 0.93 C ATOM 466 CG LEU C1926 14.913 4.393 3.963 1.00 0.48 C ATOM 467 CD1 LEU C1926 13.978 3.875 2.889 1.00 0.56 C ATOM 468 CD2 LEU C1926 15.758 3.258 4.517 1.00 0.57 C ATOM 0 HA LEU C1926 17.552 4.333 3.747 1.00 0.60 H new ATOM 0 HB2 LEU C1926 15.477 6.444 3.858 1.00 0.93 H new ATOM 0 HB3 LEU C1926 15.517 5.606 2.320 1.00 0.93 H new ATOM 0 HG LEU C1926 14.342 4.799 4.798 1.00 0.48 H new ATOM 0 HD11 LEU C1926 13.362 3.074 3.298 1.00 0.56 H new ATOM 0 HD12 LEU C1926 13.336 4.685 2.544 1.00 0.56 H new ATOM 0 HD13 LEU C1926 14.562 3.493 2.052 1.00 0.56 H new ATOM 0 HD21 LEU C1926 15.107 2.485 4.925 1.00 0.57 H new ATOM 0 HD22 LEU C1926 16.368 2.835 3.719 1.00 0.57 H new ATOM 0 HD23 LEU C1926 16.407 3.639 5.306 1.00 0.57 H new ATOM 480 N PRO C1927 18.170 4.712 1.339 1.00 0.46 N ATOM 481 CA PRO C1927 18.499 4.930 -0.060 1.00 0.55 C ATOM 482 C PRO C1927 17.268 5.330 -0.856 1.00 0.63 C ATOM 483 O PRO C1927 17.261 6.361 -1.527 1.00 1.12 O ATOM 484 CB PRO C1927 18.999 3.570 -0.536 1.00 0.54 C ATOM 485 CG PRO C1927 18.403 2.579 0.406 1.00 0.44 C ATOM 486 CD PRO C1927 18.229 3.290 1.719 1.00 0.41 C ATOM 0 HA PRO C1927 19.228 5.730 -0.190 1.00 0.55 H new ATOM 0 HB2 PRO C1927 18.688 3.374 -1.562 1.00 0.54 H new ATOM 0 HB3 PRO C1927 20.088 3.523 -0.519 1.00 0.54 H new ATOM 0 HG2 PRO C1927 17.446 2.215 0.032 1.00 0.44 H new ATOM 0 HG3 PRO C1927 19.052 1.711 0.518 1.00 0.44 H new ATOM 0 HD2 PRO C1927 17.319 2.973 2.229 1.00 0.41 H new ATOM 0 HD3 PRO C1927 19.060 3.090 2.396 1.00 0.41 H new ATOM 494 N PHE C1928 16.215 4.527 -0.725 1.00 0.30 N ATOM 495 CA PHE C1928 15.047 4.643 -1.575 1.00 0.27 C ATOM 496 C PHE C1928 14.036 5.588 -0.974 1.00 0.27 C ATOM 497 O PHE C1928 13.830 5.601 0.238 1.00 0.31 O ATOM 498 CB PHE C1928 14.447 3.253 -1.840 1.00 0.24 C ATOM 499 CG PHE C1928 13.169 2.917 -1.136 1.00 0.23 C ATOM 500 CD1 PHE C1928 12.008 3.636 -1.353 1.00 0.30 C ATOM 501 CD2 PHE C1928 13.135 1.857 -0.268 1.00 0.26 C ATOM 502 CE1 PHE C1928 10.853 3.304 -0.713 1.00 0.33 C ATOM 503 CE2 PHE C1928 11.975 1.513 0.373 1.00 0.29 C ATOM 504 CZ PHE C1928 10.837 2.240 0.151 1.00 0.27 C ATOM 0 H PHE C1928 16.153 3.784 -0.029 1.00 0.30 H new ATOM 0 HA PHE C1928 15.347 5.066 -2.534 1.00 0.27 H new ATOM 0 HB2 PHE C1928 14.278 3.156 -2.912 1.00 0.24 H new ATOM 0 HB3 PHE C1928 15.191 2.505 -1.566 1.00 0.24 H new ATOM 0 HD1 PHE C1928 12.017 4.471 -2.038 1.00 0.30 H new ATOM 0 HD2 PHE C1928 14.034 1.286 -0.087 1.00 0.26 H new ATOM 0 HE1 PHE C1928 9.954 3.876 -0.885 1.00 0.33 H new ATOM 0 HE2 PHE C1928 11.958 0.672 1.050 1.00 0.29 H new ATOM 0 HZ PHE C1928 9.922 1.974 0.659 1.00 0.27 H new ATOM 514 N VAL C1929 13.385 6.335 -1.853 1.00 0.25 N ATOM 515 CA VAL C1929 12.445 7.375 -1.480 1.00 0.25 C ATOM 516 C VAL C1929 11.594 7.744 -2.679 1.00 0.25 C ATOM 517 O VAL C1929 11.987 7.499 -3.818 1.00 0.27 O ATOM 518 CB VAL C1929 13.183 8.641 -1.037 1.00 0.29 C ATOM 519 CG1 VAL C1929 13.873 8.426 0.288 1.00 0.62 C ATOM 520 CG2 VAL C1929 14.189 9.003 -2.106 1.00 0.62 C ATOM 0 H VAL C1929 13.499 6.232 -2.861 1.00 0.25 H new ATOM 0 HA VAL C1929 11.832 6.994 -0.663 1.00 0.25 H new ATOM 0 HB VAL C1929 12.469 9.454 -0.905 1.00 0.29 H new ATOM 0 HG11 VAL C1929 14.390 9.340 0.581 1.00 0.62 H new ATOM 0 HG12 VAL C1929 13.133 8.169 1.046 1.00 0.62 H new ATOM 0 HG13 VAL C1929 14.595 7.614 0.195 1.00 0.62 H new ATOM 0 HG21 VAL C1929 14.727 9.904 -1.810 1.00 0.62 H new ATOM 0 HG22 VAL C1929 14.896 8.183 -2.233 1.00 0.62 H new ATOM 0 HG23 VAL C1929 13.670 9.183 -3.048 1.00 0.62 H new ATOM 530 N VAL C1930 10.448 8.341 -2.438 1.00 0.26 N ATOM 531 CA VAL C1930 9.658 8.863 -3.533 1.00 0.26 C ATOM 532 C VAL C1930 10.242 10.189 -4.012 1.00 0.29 C ATOM 533 O VAL C1930 10.482 11.094 -3.210 1.00 0.32 O ATOM 534 CB VAL C1930 8.186 9.101 -3.147 1.00 0.28 C ATOM 535 CG1 VAL C1930 7.390 9.561 -4.357 1.00 0.34 C ATOM 536 CG2 VAL C1930 7.567 7.855 -2.558 1.00 0.32 C ATOM 0 H VAL C1930 10.046 8.476 -1.510 1.00 0.26 H new ATOM 0 HA VAL C1930 9.689 8.110 -4.320 1.00 0.26 H new ATOM 0 HB VAL C1930 8.160 9.883 -2.388 1.00 0.28 H new ATOM 0 HG11 VAL C1930 6.352 9.725 -4.069 1.00 0.34 H new ATOM 0 HG12 VAL C1930 7.812 10.491 -4.738 1.00 0.34 H new ATOM 0 HG13 VAL C1930 7.434 8.797 -5.134 1.00 0.34 H new ATOM 0 HG21 VAL C1930 6.528 8.054 -2.295 1.00 0.32 H new ATOM 0 HG22 VAL C1930 7.608 7.048 -3.289 1.00 0.32 H new ATOM 0 HG23 VAL C1930 8.118 7.563 -1.664 1.00 0.32 H new ATOM 546 N PRO C1931 10.520 10.300 -5.314 1.00 0.34 N ATOM 547 CA PRO C1931 10.869 11.573 -5.940 1.00 0.42 C ATOM 548 C PRO C1931 9.686 12.543 -5.917 1.00 0.45 C ATOM 549 O PRO C1931 8.582 12.168 -5.525 1.00 0.45 O ATOM 550 CB PRO C1931 11.245 11.196 -7.376 1.00 0.56 C ATOM 551 CG PRO C1931 10.642 9.854 -7.610 1.00 0.48 C ATOM 552 CD PRO C1931 10.538 9.182 -6.269 1.00 0.36 C ATOM 0 HA PRO C1931 11.678 12.084 -5.418 1.00 0.42 H new ATOM 0 HB2 PRO C1931 10.860 11.928 -8.087 1.00 0.56 H new ATOM 0 HB3 PRO C1931 12.327 11.167 -7.503 1.00 0.56 H new ATOM 0 HG2 PRO C1931 9.659 9.948 -8.072 1.00 0.48 H new ATOM 0 HG3 PRO C1931 11.259 9.266 -8.290 1.00 0.48 H new ATOM 0 HD2 PRO C1931 9.634 8.578 -6.194 1.00 0.36 H new ATOM 0 HD3 PRO C1931 11.382 8.516 -6.089 1.00 0.36 H new ATOM 560 N ARG C1932 9.918 13.793 -6.316 1.00 0.54 N ATOM 561 CA ARG C1932 8.872 14.825 -6.286 1.00 0.70 C ATOM 562 C ARG C1932 7.626 14.437 -7.085 1.00 0.89 C ATOM 563 O ARG C1932 6.583 15.082 -6.980 1.00 1.79 O ATOM 564 CB ARG C1932 9.411 16.162 -6.791 1.00 0.83 C ATOM 565 CG ARG C1932 10.465 16.778 -5.886 1.00 1.53 C ATOM 566 CD ARG C1932 10.745 18.218 -6.277 1.00 2.00 C ATOM 567 NE ARG C1932 9.553 19.057 -6.149 1.00 2.79 N ATOM 568 CZ ARG C1932 9.320 20.148 -6.877 1.00 3.62 C ATOM 569 NH1 ARG C1932 10.170 20.514 -7.826 1.00 3.88 N ATOM 570 NH2 ARG C1932 8.221 20.864 -6.667 1.00 4.56 N ATOM 0 H ARG C1932 10.819 14.119 -6.664 1.00 0.54 H new ATOM 0 HA ARG C1932 8.573 14.921 -5.242 1.00 0.70 H new ATOM 0 HB2 ARG C1932 9.836 16.020 -7.785 1.00 0.83 H new ATOM 0 HB3 ARG C1932 8.582 16.861 -6.896 1.00 0.83 H new ATOM 0 HG2 ARG C1932 10.128 16.738 -4.850 1.00 1.53 H new ATOM 0 HG3 ARG C1932 11.385 16.196 -5.945 1.00 1.53 H new ATOM 0 HD2 ARG C1932 11.540 18.618 -5.648 1.00 2.00 H new ATOM 0 HD3 ARG C1932 11.105 18.252 -7.305 1.00 2.00 H new ATOM 0 HE ARG C1932 8.854 18.789 -5.456 1.00 2.79 H new ATOM 0 HH11 ARG C1932 11.008 19.959 -8.002 1.00 3.88 H new ATOM 0 HH12 ARG C1932 9.986 21.350 -8.380 1.00 3.88 H new ATOM 0 HH21 ARG C1932 7.556 20.578 -5.948 1.00 4.56 H new ATOM 0 HH22 ARG C1932 8.042 21.699 -7.224 1.00 4.56 H new ATOM 584 N ARG C1933 7.749 13.400 -7.884 1.00 0.74 N ATOM 585 CA ARG C1933 6.625 12.830 -8.602 1.00 0.76 C ATOM 586 C ARG C1933 6.872 11.351 -8.769 1.00 0.65 C ATOM 587 O ARG C1933 7.910 10.855 -8.341 1.00 0.69 O ATOM 588 CB ARG C1933 6.442 13.511 -9.964 1.00 0.95 C ATOM 589 CG ARG C1933 7.714 13.570 -10.797 1.00 1.66 C ATOM 590 CD ARG C1933 7.462 14.212 -12.154 1.00 1.80 C ATOM 591 NE ARG C1933 6.688 13.343 -13.042 1.00 2.56 N ATOM 592 CZ ARG C1933 5.429 13.573 -13.411 1.00 2.86 C ATOM 593 NH1 ARG C1933 4.770 14.630 -12.947 1.00 2.53 N ATOM 594 NH2 ARG C1933 4.827 12.737 -14.246 1.00 3.92 N ATOM 0 H ARG C1933 8.635 12.925 -8.056 1.00 0.74 H new ATOM 0 HA ARG C1933 5.707 12.991 -8.037 1.00 0.76 H new ATOM 0 HB2 ARG C1933 5.675 12.978 -10.526 1.00 0.95 H new ATOM 0 HB3 ARG C1933 6.075 14.525 -9.806 1.00 0.95 H new ATOM 0 HG2 ARG C1933 8.475 14.137 -10.261 1.00 1.66 H new ATOM 0 HG3 ARG C1933 8.106 12.563 -10.937 1.00 1.66 H new ATOM 0 HD2 ARG C1933 6.930 15.153 -12.015 1.00 1.80 H new ATOM 0 HD3 ARG C1933 8.416 14.451 -12.624 1.00 1.80 H new ATOM 0 HE ARG C1933 7.144 12.505 -13.403 1.00 2.56 H new ATOM 0 HH11 ARG C1933 5.228 15.274 -12.302 1.00 2.53 H new ATOM 0 HH12 ARG C1933 3.806 14.797 -13.236 1.00 2.53 H new ATOM 0 HH21 ARG C1933 5.328 11.923 -14.602 1.00 3.92 H new ATOM 0 HH22 ARG C1933 3.863 12.908 -14.532 1.00 3.92 H new ATOM 654 N ALA A 2 1.482 -2.429 -17.671 1.00 0.37 N ATOM 655 CA ALA A 2 2.326 -1.368 -17.144 1.00 0.33 C ATOM 656 C ALA A 2 3.301 -1.933 -16.124 1.00 0.30 C ATOM 657 O ALA A 2 3.183 -3.101 -15.751 1.00 0.39 O ATOM 658 CB ALA A 2 1.472 -0.287 -16.510 1.00 0.33 C ATOM 0 HA ALA A 2 2.893 -0.929 -17.965 1.00 0.33 H new ATOM 0 HB1 ALA A 2 2.115 0.502 -16.119 1.00 0.33 H new ATOM 0 HB2 ALA A 2 0.799 0.131 -17.259 1.00 0.33 H new ATOM 0 HB3 ALA A 2 0.888 -0.716 -15.696 1.00 0.33 H new ATOM 664 N CYS A 3 4.268 -1.121 -15.692 1.00 0.29 N ATOM 665 CA CYS A 3 5.172 -1.505 -14.617 1.00 0.27 C ATOM 666 C CYS A 3 4.363 -1.772 -13.352 1.00 0.22 C ATOM 667 O CYS A 3 3.918 -0.842 -12.683 1.00 0.21 O ATOM 668 CB CYS A 3 6.201 -0.401 -14.366 1.00 0.32 C ATOM 669 SG CYS A 3 7.094 0.131 -15.848 1.00 0.43 S ATOM 0 H CYS A 3 4.442 -0.192 -16.074 1.00 0.29 H new ATOM 0 HA CYS A 3 5.707 -2.411 -14.902 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.694 0.461 -13.932 1.00 0.32 H new ATOM 0 HB3 CYS A 3 6.922 -0.752 -13.628 1.00 0.32 H new ATOM 0 HG CYS A 3 7.939 1.068 -15.533 1.00 0.43 H new ATOM 675 N PRO A 4 4.164 -3.051 -13.022 1.00 0.20 N ATOM 676 CA PRO A 4 3.182 -3.479 -12.012 1.00 0.18 C ATOM 677 C PRO A 4 3.372 -2.820 -10.653 1.00 0.16 C ATOM 678 O PRO A 4 2.511 -2.064 -10.200 1.00 0.16 O ATOM 679 CB PRO A 4 3.454 -4.980 -11.905 1.00 0.21 C ATOM 680 CG PRO A 4 4.018 -5.348 -13.229 1.00 0.24 C ATOM 681 CD PRO A 4 4.891 -4.196 -13.599 1.00 0.24 C ATOM 0 HA PRO A 4 2.167 -3.209 -12.302 1.00 0.18 H new ATOM 0 HB2 PRO A 4 4.154 -5.201 -11.099 1.00 0.21 H new ATOM 0 HB3 PRO A 4 2.540 -5.535 -11.694 1.00 0.21 H new ATOM 0 HG2 PRO A 4 4.588 -6.275 -13.173 1.00 0.24 H new ATOM 0 HG3 PRO A 4 3.230 -5.502 -13.967 1.00 0.24 H new ATOM 0 HD2 PRO A 4 5.893 -4.294 -13.180 1.00 0.24 H new ATOM 0 HD3 PRO A 4 5.005 -4.103 -14.679 1.00 0.24 H new ATOM 689 N LEU A 5 4.508 -3.079 -10.020 1.00 0.16 N ATOM 690 CA LEU A 5 4.771 -2.550 -8.690 1.00 0.17 C ATOM 691 C LEU A 5 4.890 -1.031 -8.746 1.00 0.19 C ATOM 692 O LEU A 5 4.533 -0.338 -7.798 1.00 0.24 O ATOM 693 CB LEU A 5 6.051 -3.174 -8.121 1.00 0.17 C ATOM 694 CG LEU A 5 6.004 -3.565 -6.636 1.00 0.18 C ATOM 695 CD1 LEU A 5 5.818 -2.347 -5.749 1.00 0.20 C ATOM 696 CD2 LEU A 5 4.898 -4.575 -6.376 1.00 0.20 C ATOM 0 H LEU A 5 5.260 -3.651 -10.405 1.00 0.16 H new ATOM 0 HA LEU A 5 3.940 -2.806 -8.032 1.00 0.17 H new ATOM 0 HB2 LEU A 5 6.288 -4.064 -8.704 1.00 0.17 H new ATOM 0 HB3 LEU A 5 6.871 -2.470 -8.266 1.00 0.17 H new ATOM 0 HG LEU A 5 6.962 -4.023 -6.389 1.00 0.18 H new ATOM 0 HD11 LEU A 5 5.789 -2.658 -4.705 1.00 0.20 H new ATOM 0 HD12 LEU A 5 6.649 -1.657 -5.899 1.00 0.20 H new ATOM 0 HD13 LEU A 5 4.883 -1.850 -6.005 1.00 0.20 H new ATOM 0 HD21 LEU A 5 4.885 -4.836 -5.318 1.00 0.20 H new ATOM 0 HD22 LEU A 5 3.937 -4.142 -6.655 1.00 0.20 H new ATOM 0 HD23 LEU A 5 5.078 -5.472 -6.969 1.00 0.20 H new ATOM 708 N GLU A 6 5.360 -0.522 -9.878 1.00 0.19 N ATOM 709 CA GLU A 6 5.531 0.910 -10.056 1.00 0.23 C ATOM 710 C GLU A 6 4.187 1.619 -10.006 1.00 0.21 C ATOM 711 O GLU A 6 4.036 2.644 -9.335 1.00 0.25 O ATOM 712 CB GLU A 6 6.253 1.205 -11.376 1.00 0.32 C ATOM 713 CG GLU A 6 6.499 2.685 -11.650 1.00 0.47 C ATOM 714 CD GLU A 6 5.519 3.273 -12.650 1.00 0.90 C ATOM 715 OE1 GLU A 6 5.607 2.926 -13.848 1.00 1.39 O ATOM 716 OE2 GLU A 6 4.666 4.094 -12.255 1.00 1.78 O ATOM 0 H GLU A 6 5.629 -1.083 -10.686 1.00 0.19 H new ATOM 0 HA GLU A 6 6.146 1.288 -9.239 1.00 0.23 H new ATOM 0 HB2 GLU A 6 7.211 0.685 -11.374 1.00 0.32 H new ATOM 0 HB3 GLU A 6 5.667 0.790 -12.196 1.00 0.32 H new ATOM 0 HG2 GLU A 6 6.431 3.239 -10.714 1.00 0.47 H new ATOM 0 HG3 GLU A 6 7.514 2.816 -12.024 1.00 0.47 H new ATOM 723 N LYS A 7 3.200 1.051 -10.688 1.00 0.18 N ATOM 724 CA LYS A 7 1.882 1.658 -10.735 1.00 0.20 C ATOM 725 C LYS A 7 1.230 1.620 -9.365 1.00 0.17 C ATOM 726 O LYS A 7 0.504 2.533 -9.006 1.00 0.19 O ATOM 727 CB LYS A 7 0.971 0.979 -11.770 1.00 0.26 C ATOM 728 CG LYS A 7 1.524 0.961 -13.190 1.00 0.41 C ATOM 729 CD LYS A 7 2.281 2.239 -13.537 1.00 0.90 C ATOM 730 CE LYS A 7 1.427 3.484 -13.369 1.00 0.83 C ATOM 731 NZ LYS A 7 2.254 4.719 -13.399 1.00 1.16 N ATOM 0 H LYS A 7 3.288 0.179 -11.210 1.00 0.18 H new ATOM 0 HA LYS A 7 2.016 2.695 -11.042 1.00 0.20 H new ATOM 0 HB2 LYS A 7 0.786 -0.048 -11.453 1.00 0.26 H new ATOM 0 HB3 LYS A 7 0.008 1.489 -11.776 1.00 0.26 H new ATOM 0 HG2 LYS A 7 2.189 0.105 -13.307 1.00 0.41 H new ATOM 0 HG3 LYS A 7 0.703 0.826 -13.895 1.00 0.41 H new ATOM 0 HD2 LYS A 7 3.163 2.319 -12.902 1.00 0.90 H new ATOM 0 HD3 LYS A 7 2.634 2.180 -14.567 1.00 0.90 H new ATOM 0 HE2 LYS A 7 0.681 3.525 -14.163 1.00 0.83 H new ATOM 0 HE3 LYS A 7 0.885 3.430 -12.425 1.00 0.83 H new ATOM 0 HZ1 LYS A 7 1.654 5.544 -13.197 1.00 1.16 H new ATOM 0 HZ2 LYS A 7 3.003 4.652 -12.681 1.00 1.16 H new ATOM 0 HZ3 LYS A 7 2.684 4.826 -14.340 1.00 1.16 H new ATOM 745 N ALA A 8 1.517 0.572 -8.599 1.00 0.18 N ATOM 746 CA ALA A 8 0.926 0.393 -7.274 1.00 0.19 C ATOM 747 C ALA A 8 1.002 1.668 -6.439 1.00 0.17 C ATOM 748 O ALA A 8 -0.005 2.119 -5.904 1.00 0.21 O ATOM 749 CB ALA A 8 1.606 -0.753 -6.543 1.00 0.20 C ATOM 0 H ALA A 8 2.159 -0.171 -8.874 1.00 0.18 H new ATOM 0 HA ALA A 8 -0.128 0.155 -7.416 1.00 0.19 H new ATOM 0 HB1 ALA A 8 1.156 -0.874 -5.558 1.00 0.20 H new ATOM 0 HB2 ALA A 8 1.483 -1.673 -7.114 1.00 0.20 H new ATOM 0 HB3 ALA A 8 2.668 -0.534 -6.432 1.00 0.20 H new ATOM 755 N LEU A 9 2.189 2.253 -6.340 1.00 0.14 N ATOM 756 CA LEU A 9 2.361 3.469 -5.547 1.00 0.14 C ATOM 757 C LEU A 9 1.823 4.690 -6.289 1.00 0.13 C ATOM 758 O LEU A 9 1.186 5.558 -5.692 1.00 0.16 O ATOM 759 CB LEU A 9 3.833 3.697 -5.180 1.00 0.15 C ATOM 760 CG LEU A 9 4.543 2.528 -4.483 1.00 0.16 C ATOM 761 CD1 LEU A 9 3.614 1.837 -3.499 1.00 0.19 C ATOM 762 CD2 LEU A 9 5.083 1.530 -5.492 1.00 0.15 C ATOM 0 H LEU A 9 3.038 1.913 -6.791 1.00 0.14 H new ATOM 0 HA LEU A 9 1.791 3.333 -4.628 1.00 0.14 H new ATOM 0 HB2 LEU A 9 4.381 3.937 -6.091 1.00 0.15 H new ATOM 0 HB3 LEU A 9 3.894 4.571 -4.532 1.00 0.15 H new ATOM 0 HG LEU A 9 5.387 2.940 -3.930 1.00 0.16 H new ATOM 0 HD11 LEU A 9 4.141 1.013 -3.019 1.00 0.19 H new ATOM 0 HD12 LEU A 9 3.290 2.551 -2.742 1.00 0.19 H new ATOM 0 HD13 LEU A 9 2.744 1.451 -4.030 1.00 0.19 H new ATOM 0 HD21 LEU A 9 5.580 0.714 -4.967 1.00 0.15 H new ATOM 0 HD22 LEU A 9 4.260 1.131 -6.086 1.00 0.15 H new ATOM 0 HD23 LEU A 9 5.797 2.027 -6.149 1.00 0.15 H new ATOM 774 N ASP A 10 2.079 4.741 -7.592 1.00 0.14 N ATOM 775 CA ASP A 10 1.640 5.855 -8.438 1.00 0.15 C ATOM 776 C ASP A 10 0.126 6.030 -8.397 1.00 0.15 C ATOM 777 O ASP A 10 -0.382 7.132 -8.188 1.00 0.18 O ATOM 778 CB ASP A 10 2.100 5.618 -9.883 1.00 0.19 C ATOM 779 CG ASP A 10 1.362 6.471 -10.904 1.00 0.48 C ATOM 780 OD1 ASP A 10 1.643 7.676 -11.000 1.00 1.19 O ATOM 781 OD2 ASP A 10 0.514 5.918 -11.638 1.00 1.18 O ATOM 0 H ASP A 10 2.594 4.017 -8.093 1.00 0.14 H new ATOM 0 HA ASP A 10 2.091 6.769 -8.052 1.00 0.15 H new ATOM 0 HB2 ASP A 10 3.168 5.824 -9.954 1.00 0.19 H new ATOM 0 HB3 ASP A 10 1.961 4.566 -10.132 1.00 0.19 H new ATOM 786 N VAL A 11 -0.591 4.934 -8.569 1.00 0.16 N ATOM 787 CA VAL A 11 -2.038 4.984 -8.661 1.00 0.18 C ATOM 788 C VAL A 11 -2.674 5.284 -7.311 1.00 0.18 C ATOM 789 O VAL A 11 -3.790 5.797 -7.257 1.00 0.23 O ATOM 790 CB VAL A 11 -2.618 3.676 -9.222 1.00 0.20 C ATOM 791 CG1 VAL A 11 -1.925 3.316 -10.523 1.00 0.23 C ATOM 792 CG2 VAL A 11 -2.502 2.548 -8.210 1.00 0.18 C ATOM 0 H VAL A 11 -0.194 3.998 -8.648 1.00 0.16 H new ATOM 0 HA VAL A 11 -2.276 5.794 -9.350 1.00 0.18 H new ATOM 0 HB VAL A 11 -3.679 3.826 -9.424 1.00 0.20 H new ATOM 0 HG11 VAL A 11 -2.343 2.388 -10.913 1.00 0.23 H new ATOM 0 HG12 VAL A 11 -2.076 4.115 -11.249 1.00 0.23 H new ATOM 0 HG13 VAL A 11 -0.858 3.186 -10.343 1.00 0.23 H new ATOM 0 HG21 VAL A 11 -2.920 1.635 -8.634 1.00 0.18 H new ATOM 0 HG22 VAL A 11 -1.453 2.387 -7.964 1.00 0.18 H new ATOM 0 HG23 VAL A 11 -3.050 2.813 -7.306 1.00 0.18 H new ATOM 802 N MET A 12 -1.966 4.982 -6.224 1.00 0.16 N ATOM 803 CA MET A 12 -2.491 5.256 -4.892 1.00 0.20 C ATOM 804 C MET A 12 -2.801 6.730 -4.737 1.00 0.24 C ATOM 805 O MET A 12 -3.840 7.088 -4.210 1.00 0.40 O ATOM 806 CB MET A 12 -1.525 4.839 -3.784 1.00 0.25 C ATOM 807 CG MET A 12 -1.383 3.343 -3.609 1.00 0.17 C ATOM 808 SD MET A 12 -1.139 2.879 -1.884 1.00 0.72 S ATOM 809 CE MET A 12 -0.723 1.152 -2.071 1.00 0.19 C ATOM 0 H MET A 12 -1.040 4.554 -6.240 1.00 0.16 H new ATOM 0 HA MET A 12 -3.401 4.664 -4.792 1.00 0.20 H new ATOM 0 HB2 MET A 12 -0.543 5.263 -3.996 1.00 0.25 H new ATOM 0 HB3 MET A 12 -1.862 5.272 -2.842 1.00 0.25 H new ATOM 0 HG2 MET A 12 -2.274 2.848 -3.994 1.00 0.17 H new ATOM 0 HG3 MET A 12 -0.540 2.988 -4.202 1.00 0.17 H new ATOM 0 HE1 MET A 12 -0.887 0.634 -1.126 1.00 0.19 H new ATOM 0 HE2 MET A 12 -1.352 0.708 -2.842 1.00 0.19 H new ATOM 0 HE3 MET A 12 0.324 1.059 -2.359 1.00 0.19 H new ATOM 819 N VAL A 13 -1.895 7.579 -5.210 1.00 0.17 N ATOM 820 CA VAL A 13 -2.091 9.017 -5.113 1.00 0.19 C ATOM 821 C VAL A 13 -2.825 9.555 -6.344 1.00 0.20 C ATOM 822 O VAL A 13 -3.482 10.591 -6.280 1.00 0.28 O ATOM 823 CB VAL A 13 -0.758 9.779 -4.920 1.00 0.18 C ATOM 824 CG1 VAL A 13 -0.067 9.349 -3.633 1.00 0.21 C ATOM 825 CG2 VAL A 13 0.166 9.579 -6.103 1.00 0.19 C ATOM 0 H VAL A 13 -1.025 7.297 -5.661 1.00 0.17 H new ATOM 0 HA VAL A 13 -2.704 9.189 -4.228 1.00 0.19 H new ATOM 0 HB VAL A 13 -0.995 10.841 -4.849 1.00 0.18 H new ATOM 0 HG11 VAL A 13 0.867 9.899 -3.520 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -0.717 9.560 -2.783 1.00 0.21 H new ATOM 0 HG13 VAL A 13 0.144 8.280 -3.673 1.00 0.21 H new ATOM 0 HG21 VAL A 13 1.094 10.127 -5.937 1.00 0.19 H new ATOM 0 HG22 VAL A 13 0.387 8.518 -6.217 1.00 0.19 H new ATOM 0 HG23 VAL A 13 -0.316 9.948 -7.008 1.00 0.19 H new ATOM 835 N SER A 14 -2.725 8.838 -7.458 1.00 0.19 N ATOM 836 CA SER A 14 -3.416 9.228 -8.682 1.00 0.22 C ATOM 837 C SER A 14 -4.926 9.044 -8.524 1.00 0.24 C ATOM 838 O SER A 14 -5.698 9.996 -8.657 1.00 0.28 O ATOM 839 CB SER A 14 -2.902 8.408 -9.871 1.00 0.24 C ATOM 840 OG SER A 14 -3.526 8.806 -11.083 1.00 1.12 O ATOM 0 H SER A 14 -2.173 7.984 -7.539 1.00 0.19 H new ATOM 0 HA SER A 14 -3.212 10.282 -8.873 1.00 0.22 H new ATOM 0 HB2 SER A 14 -1.822 8.529 -9.959 1.00 0.24 H new ATOM 0 HB3 SER A 14 -3.091 7.349 -9.693 1.00 0.24 H new ATOM 0 HG SER A 14 -3.177 8.267 -11.823 1.00 1.12 H new ATOM 846 N THR A 15 -5.334 7.820 -8.210 1.00 0.25 N ATOM 847 CA THR A 15 -6.739 7.494 -8.024 1.00 0.28 C ATOM 848 C THR A 15 -7.283 8.183 -6.770 1.00 0.30 C ATOM 849 O THR A 15 -8.472 8.502 -6.682 1.00 0.33 O ATOM 850 CB THR A 15 -6.930 5.968 -7.945 1.00 0.28 C ATOM 851 OG1 THR A 15 -6.282 5.354 -9.070 1.00 0.34 O ATOM 852 CG2 THR A 15 -8.402 5.590 -7.948 1.00 0.26 C ATOM 0 H THR A 15 -4.702 7.030 -8.078 1.00 0.25 H new ATOM 0 HA THR A 15 -7.302 7.860 -8.883 1.00 0.28 H new ATOM 0 HB THR A 15 -6.491 5.617 -7.011 1.00 0.28 H new ATOM 0 HG1 THR A 15 -6.866 4.663 -9.447 1.00 0.34 H new ATOM 0 HG21 THR A 15 -8.499 4.506 -7.891 1.00 0.26 H new ATOM 0 HG22 THR A 15 -8.896 6.044 -7.089 1.00 0.26 H new ATOM 0 HG23 THR A 15 -8.868 5.949 -8.866 1.00 0.26 H new ATOM 860 N PHE A 16 -6.384 8.418 -5.820 1.00 0.31 N ATOM 861 CA PHE A 16 -6.678 9.174 -4.603 1.00 0.37 C ATOM 862 C PHE A 16 -7.357 10.500 -4.932 1.00 0.42 C ATOM 863 O PHE A 16 -8.320 10.889 -4.286 1.00 0.54 O ATOM 864 CB PHE A 16 -5.367 9.432 -3.860 1.00 0.45 C ATOM 865 CG PHE A 16 -5.484 10.210 -2.585 1.00 0.36 C ATOM 866 CD1 PHE A 16 -5.989 9.620 -1.441 1.00 1.26 C ATOM 867 CD2 PHE A 16 -5.056 11.525 -2.527 1.00 1.24 C ATOM 868 CE1 PHE A 16 -6.074 10.332 -0.262 1.00 1.43 C ATOM 869 CE2 PHE A 16 -5.134 12.240 -1.351 1.00 1.39 C ATOM 870 CZ PHE A 16 -5.642 11.642 -0.217 1.00 0.99 C ATOM 0 H PHE A 16 -5.421 8.087 -5.872 1.00 0.31 H new ATOM 0 HA PHE A 16 -7.359 8.595 -3.979 1.00 0.37 H new ATOM 0 HB2 PHE A 16 -4.903 8.472 -3.636 1.00 0.45 H new ATOM 0 HB3 PHE A 16 -4.691 9.965 -4.528 1.00 0.45 H new ATOM 0 HD1 PHE A 16 -6.320 8.592 -1.470 1.00 1.26 H new ATOM 0 HD2 PHE A 16 -4.656 11.996 -3.413 1.00 1.24 H new ATOM 0 HE1 PHE A 16 -6.478 9.865 0.624 1.00 1.43 H new ATOM 0 HE2 PHE A 16 -4.798 13.266 -1.318 1.00 1.39 H new ATOM 0 HZ PHE A 16 -5.702 12.199 0.706 1.00 0.99 H new ATOM 880 N HIS A 17 -6.847 11.177 -5.952 1.00 0.44 N ATOM 881 CA HIS A 17 -7.361 12.481 -6.355 1.00 0.54 C ATOM 882 C HIS A 17 -8.690 12.367 -7.103 1.00 0.47 C ATOM 883 O HIS A 17 -9.503 13.293 -7.076 1.00 0.52 O ATOM 884 CB HIS A 17 -6.345 13.187 -7.261 1.00 0.72 C ATOM 885 CG HIS A 17 -5.221 13.867 -6.541 1.00 1.09 C ATOM 886 ND1 HIS A 17 -4.281 13.396 -5.686 1.00 2.16 N flip ATOM 887 CD2 HIS A 17 -4.957 15.206 -6.690 1.00 1.23 C flip ATOM 888 CE1 HIS A 17 -3.480 14.455 -5.336 1.00 2.80 C flip ATOM 889 NE2 HIS A 17 -3.914 15.532 -5.961 1.00 2.27 N flip ATOM 0 H HIS A 17 -6.070 10.841 -6.521 1.00 0.44 H new ATOM 0 HA HIS A 17 -7.526 13.057 -5.444 1.00 0.54 H new ATOM 0 HB2 HIS A 17 -5.925 12.455 -7.950 1.00 0.72 H new ATOM 0 HB3 HIS A 17 -6.871 13.927 -7.864 1.00 0.72 H new ATOM 0 HD1 HIS A 17 -4.186 12.433 -5.362 1.00 2.16 H new ATOM 0 HD2 HIS A 17 -5.520 15.887 -7.311 1.00 1.23 H new ATOM 0 HE1 HIS A 17 -2.637 14.413 -4.662 1.00 2.80 H new ATOM 898 N LYS A 18 -8.909 11.234 -7.761 1.00 0.43 N ATOM 899 CA LYS A 18 -10.037 11.083 -8.681 1.00 0.46 C ATOM 900 C LYS A 18 -11.381 11.104 -7.963 1.00 0.44 C ATOM 901 O LYS A 18 -12.229 11.955 -8.228 1.00 0.62 O ATOM 902 CB LYS A 18 -9.933 9.768 -9.458 1.00 0.55 C ATOM 903 CG LYS A 18 -8.615 9.548 -10.175 1.00 0.77 C ATOM 904 CD LYS A 18 -8.615 8.216 -10.911 1.00 0.73 C ATOM 905 CE LYS A 18 -7.234 7.866 -11.432 1.00 1.41 C ATOM 906 NZ LYS A 18 -7.210 6.538 -12.100 1.00 1.69 N ATOM 0 H LYS A 18 -8.321 10.405 -7.676 1.00 0.43 H new ATOM 0 HA LYS A 18 -9.987 11.934 -9.360 1.00 0.46 H new ATOM 0 HB2 LYS A 18 -10.095 8.941 -8.766 1.00 0.55 H new ATOM 0 HB3 LYS A 18 -10.738 9.733 -10.192 1.00 0.55 H new ATOM 0 HG2 LYS A 18 -8.441 10.359 -10.882 1.00 0.77 H new ATOM 0 HG3 LYS A 18 -7.796 9.571 -9.456 1.00 0.77 H new ATOM 0 HD2 LYS A 18 -8.962 7.429 -10.241 1.00 0.73 H new ATOM 0 HD3 LYS A 18 -9.318 8.259 -11.743 1.00 0.73 H new ATOM 0 HE2 LYS A 18 -6.907 8.632 -12.136 1.00 1.41 H new ATOM 0 HE3 LYS A 18 -6.523 7.869 -10.605 1.00 1.41 H new ATOM 0 HZ1 LYS A 18 -6.446 5.960 -11.695 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -8.122 6.059 -11.954 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -7.045 6.665 -13.119 1.00 1.69 H new ATOM 920 N TYR A 19 -11.575 10.159 -7.056 1.00 0.37 N ATOM 921 CA TYR A 19 -12.904 9.883 -6.526 1.00 0.41 C ATOM 922 C TYR A 19 -13.175 10.608 -5.215 1.00 0.48 C ATOM 923 O TYR A 19 -14.308 10.630 -4.739 1.00 0.73 O ATOM 924 CB TYR A 19 -13.091 8.376 -6.370 1.00 0.43 C ATOM 925 CG TYR A 19 -12.946 7.646 -7.683 1.00 0.38 C ATOM 926 CD1 TYR A 19 -13.986 7.623 -8.597 1.00 1.14 C ATOM 927 CD2 TYR A 19 -11.761 7.009 -8.023 1.00 1.18 C ATOM 928 CE1 TYR A 19 -13.856 6.980 -9.810 1.00 1.14 C ATOM 929 CE2 TYR A 19 -11.619 6.369 -9.236 1.00 1.21 C ATOM 930 CZ TYR A 19 -12.669 6.355 -10.125 1.00 0.48 C ATOM 931 OH TYR A 19 -12.528 5.727 -11.341 1.00 0.59 O ATOM 0 H TYR A 19 -10.834 9.572 -6.672 1.00 0.37 H new ATOM 0 HA TYR A 19 -13.633 10.266 -7.240 1.00 0.41 H new ATOM 0 HB2 TYR A 19 -12.359 7.992 -5.660 1.00 0.43 H new ATOM 0 HB3 TYR A 19 -14.077 8.175 -5.951 1.00 0.43 H new ATOM 0 HD1 TYR A 19 -14.915 8.117 -8.356 1.00 1.14 H new ATOM 0 HD2 TYR A 19 -10.936 7.015 -7.326 1.00 1.18 H new ATOM 0 HE1 TYR A 19 -14.679 6.966 -10.509 1.00 1.14 H new ATOM 0 HE2 TYR A 19 -10.689 5.881 -9.487 1.00 1.21 H new ATOM 0 HH TYR A 19 -11.631 5.337 -11.406 1.00 0.59 H new ATOM 941 N SER A 20 -12.147 11.214 -4.648 1.00 0.38 N ATOM 942 CA SER A 20 -12.319 12.021 -3.451 1.00 0.45 C ATOM 943 C SER A 20 -12.902 13.376 -3.842 1.00 0.54 C ATOM 944 O SER A 20 -13.981 13.761 -3.399 1.00 0.68 O ATOM 945 CB SER A 20 -10.969 12.182 -2.746 1.00 0.47 C ATOM 946 OG SER A 20 -10.007 12.698 -3.649 1.00 0.52 O ATOM 0 H SER A 20 -11.189 11.164 -4.994 1.00 0.38 H new ATOM 0 HA SER A 20 -13.007 11.533 -2.761 1.00 0.45 H new ATOM 0 HB2 SER A 20 -11.073 12.851 -1.892 1.00 0.47 H new ATOM 0 HB3 SER A 20 -10.636 11.220 -2.358 1.00 0.47 H new ATOM 0 HG SER A 20 -9.632 11.966 -4.181 1.00 0.52 H new ATOM 952 N GLY A 21 -12.205 14.062 -4.744 1.00 0.54 N ATOM 953 CA GLY A 21 -12.645 15.366 -5.201 1.00 0.65 C ATOM 954 C GLY A 21 -13.892 15.304 -6.065 1.00 0.68 C ATOM 955 O GLY A 21 -14.341 16.324 -6.589 1.00 0.82 O ATOM 0 H GLY A 21 -11.337 13.734 -5.168 1.00 0.54 H new ATOM 0 HA2 GLY A 21 -12.840 16.001 -4.337 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -11.841 15.837 -5.767 1.00 0.65 H new ATOM 1057 N LYS A 28 -9.563 13.626 1.169 1.00 0.67 N ATOM 1058 CA LYS A 28 -10.351 12.843 2.101 1.00 0.64 C ATOM 1059 C LYS A 28 -11.390 12.049 1.355 1.00 0.48 C ATOM 1060 O LYS A 28 -12.142 12.598 0.560 1.00 0.54 O ATOM 1061 CB LYS A 28 -11.036 13.731 3.150 1.00 0.87 C ATOM 1062 CG LYS A 28 -10.075 14.529 4.014 1.00 1.00 C ATOM 1063 CD LYS A 28 -8.969 13.649 4.559 1.00 1.04 C ATOM 1064 CE LYS A 28 -8.087 14.401 5.546 1.00 1.55 C ATOM 1065 NZ LYS A 28 -8.791 14.675 6.828 1.00 2.03 N ATOM 0 HA LYS A 28 -9.673 12.167 2.622 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -11.709 14.422 2.641 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -11.651 13.104 3.795 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -9.643 15.340 3.428 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -10.619 14.987 4.840 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -9.405 12.779 5.050 1.00 1.04 H new ATOM 0 HD3 LYS A 28 -8.359 13.278 3.735 1.00 1.04 H new ATOM 0 HE2 LYS A 28 -7.187 13.819 5.744 1.00 1.55 H new ATOM 0 HE3 LYS A 28 -7.766 15.343 5.101 1.00 1.55 H new ATOM 0 HZ1 LYS A 28 -8.110 15.033 7.528 1.00 2.03 H new ATOM 0 HZ2 LYS A 28 -9.533 15.386 6.671 1.00 2.03 H new ATOM 0 HZ3 LYS A 28 -9.222 13.797 7.182 1.00 2.03 H new ATOM 1079 N LEU A 29 -11.409 10.758 1.599 1.00 0.36 N ATOM 1080 CA LEU A 29 -12.430 9.906 1.020 1.00 0.32 C ATOM 1081 C LEU A 29 -13.384 9.405 2.091 1.00 0.34 C ATOM 1082 O LEU A 29 -13.023 8.575 2.929 1.00 0.40 O ATOM 1083 CB LEU A 29 -11.822 8.723 0.257 1.00 0.30 C ATOM 1084 CG LEU A 29 -11.121 9.079 -1.057 1.00 0.30 C ATOM 1085 CD1 LEU A 29 -9.657 9.429 -0.821 1.00 0.32 C ATOM 1086 CD2 LEU A 29 -11.250 7.936 -2.051 1.00 0.33 C ATOM 0 H LEU A 29 -10.734 10.274 2.191 1.00 0.36 H new ATOM 0 HA LEU A 29 -12.987 10.512 0.305 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -11.105 8.223 0.908 1.00 0.30 H new ATOM 0 HB3 LEU A 29 -12.614 8.005 0.044 1.00 0.30 H new ATOM 0 HG LEU A 29 -11.609 9.959 -1.476 1.00 0.30 H new ATOM 0 HD11 LEU A 29 -9.185 9.677 -1.771 1.00 0.32 H new ATOM 0 HD12 LEU A 29 -9.591 10.284 -0.148 1.00 0.32 H new ATOM 0 HD13 LEU A 29 -9.146 8.576 -0.374 1.00 0.32 H new ATOM 0 HD21 LEU A 29 -10.747 8.203 -2.980 1.00 0.33 H new ATOM 0 HD22 LEU A 29 -10.791 7.039 -1.635 1.00 0.33 H new ATOM 0 HD23 LEU A 29 -12.304 7.745 -2.251 1.00 0.33 H new ATOM 1098 N ASN A 30 -14.593 9.944 2.080 1.00 0.35 N ATOM 1099 CA ASN A 30 -15.651 9.470 2.952 1.00 0.35 C ATOM 1100 C ASN A 30 -16.298 8.242 2.318 1.00 0.31 C ATOM 1101 O ASN A 30 -15.843 7.778 1.269 1.00 0.29 O ATOM 1102 CB ASN A 30 -16.699 10.572 3.208 1.00 0.41 C ATOM 1103 CG ASN A 30 -17.762 10.686 2.122 1.00 0.62 C ATOM 1104 OD1 ASN A 30 -18.822 10.063 2.199 1.00 1.20 O ATOM 1105 ND2 ASN A 30 -17.493 11.478 1.107 1.00 0.63 N ATOM 0 H ASN A 30 -14.865 10.716 1.471 1.00 0.35 H new ATOM 0 HA ASN A 30 -15.226 9.201 3.919 1.00 0.35 H new ATOM 0 HB2 ASN A 30 -17.189 10.377 4.162 1.00 0.41 H new ATOM 0 HB3 ASN A 30 -16.187 11.530 3.302 1.00 0.41 H new ATOM 0 HD21 ASN A 30 -18.172 11.590 0.354 1.00 0.63 H new ATOM 0 HD22 ASN A 30 -16.606 11.980 1.073 1.00 0.63 H new ATOM 1112 N LYS A 31 -17.344 7.727 2.948 1.00 0.32 N ATOM 1113 CA LYS A 31 -18.057 6.548 2.452 1.00 0.31 C ATOM 1114 C LYS A 31 -18.367 6.644 0.951 1.00 0.30 C ATOM 1115 O LYS A 31 -18.127 5.698 0.203 1.00 0.31 O ATOM 1116 CB LYS A 31 -19.363 6.361 3.225 1.00 0.35 C ATOM 1117 CG LYS A 31 -19.177 6.154 4.721 1.00 0.45 C ATOM 1118 CD LYS A 31 -20.515 6.023 5.424 1.00 0.56 C ATOM 1119 CE LYS A 31 -20.347 5.776 6.912 1.00 1.22 C ATOM 1120 NZ LYS A 31 -21.659 5.682 7.604 1.00 1.70 N ATOM 0 H LYS A 31 -17.725 8.109 3.814 1.00 0.32 H new ATOM 0 HA LYS A 31 -17.402 5.690 2.605 1.00 0.31 H new ATOM 0 HB2 LYS A 31 -19.995 7.235 3.066 1.00 0.35 H new ATOM 0 HB3 LYS A 31 -19.896 5.503 2.814 1.00 0.35 H new ATOM 0 HG2 LYS A 31 -18.581 5.258 4.896 1.00 0.45 H new ATOM 0 HG3 LYS A 31 -18.622 6.993 5.141 1.00 0.45 H new ATOM 0 HD2 LYS A 31 -21.097 6.931 5.270 1.00 0.56 H new ATOM 0 HD3 LYS A 31 -21.080 5.203 4.981 1.00 0.56 H new ATOM 0 HE2 LYS A 31 -19.787 4.854 7.067 1.00 1.22 H new ATOM 0 HE3 LYS A 31 -19.761 6.583 7.351 1.00 1.22 H new ATOM 0 HZ1 LYS A 31 -21.505 5.513 8.619 1.00 1.70 H new ATOM 0 HZ2 LYS A 31 -22.183 6.571 7.477 1.00 1.70 H new ATOM 0 HZ3 LYS A 31 -22.208 4.896 7.202 1.00 1.70 H new ATOM 1134 N SER A 32 -18.878 7.791 0.511 1.00 0.32 N ATOM 1135 CA SER A 32 -19.305 7.961 -0.879 1.00 0.34 C ATOM 1136 C SER A 32 -18.105 8.105 -1.822 1.00 0.31 C ATOM 1137 O SER A 32 -18.173 7.719 -2.991 1.00 0.34 O ATOM 1138 CB SER A 32 -20.221 9.186 -0.998 1.00 0.43 C ATOM 1139 OG SER A 32 -20.837 9.254 -2.273 1.00 1.29 O ATOM 0 H SER A 32 -19.007 8.617 1.095 1.00 0.32 H new ATOM 0 HA SER A 32 -19.855 7.067 -1.175 1.00 0.34 H new ATOM 0 HB2 SER A 32 -20.988 9.144 -0.224 1.00 0.43 H new ATOM 0 HB3 SER A 32 -19.642 10.093 -0.824 1.00 0.43 H new ATOM 0 HG SER A 32 -21.415 10.044 -2.315 1.00 1.29 H new ATOM 1145 N GLU A 33 -17.001 8.630 -1.308 1.00 0.30 N ATOM 1146 CA GLU A 33 -15.823 8.888 -2.126 1.00 0.31 C ATOM 1147 C GLU A 33 -15.015 7.613 -2.297 1.00 0.26 C ATOM 1148 O GLU A 33 -14.494 7.327 -3.374 1.00 0.27 O ATOM 1149 CB GLU A 33 -14.992 9.999 -1.484 1.00 0.37 C ATOM 1150 CG GLU A 33 -15.701 11.344 -1.545 1.00 0.51 C ATOM 1151 CD GLU A 33 -15.184 12.369 -0.559 1.00 0.88 C ATOM 1152 OE1 GLU A 33 -14.947 12.007 0.605 1.00 1.68 O ATOM 1153 OE2 GLU A 33 -15.069 13.550 -0.922 1.00 1.46 O ATOM 0 H GLU A 33 -16.896 8.886 -0.326 1.00 0.30 H new ATOM 0 HA GLU A 33 -16.128 9.219 -3.119 1.00 0.31 H new ATOM 0 HB2 GLU A 33 -14.786 9.744 -0.445 1.00 0.37 H new ATOM 0 HB3 GLU A 33 -14.030 10.072 -1.991 1.00 0.37 H new ATOM 0 HG2 GLU A 33 -15.604 11.747 -2.553 1.00 0.51 H new ATOM 0 HG3 GLU A 33 -16.765 11.189 -1.365 1.00 0.51 H new ATOM 1160 N LEU A 34 -14.938 6.836 -1.228 1.00 0.23 N ATOM 1161 CA LEU A 34 -14.324 5.522 -1.290 1.00 0.20 C ATOM 1162 C LEU A 34 -15.181 4.577 -2.112 1.00 0.20 C ATOM 1163 O LEU A 34 -14.664 3.692 -2.790 1.00 0.23 O ATOM 1164 CB LEU A 34 -14.137 4.955 0.107 1.00 0.18 C ATOM 1165 CG LEU A 34 -12.875 5.403 0.823 1.00 0.18 C ATOM 1166 CD1 LEU A 34 -12.982 5.073 2.292 1.00 0.21 C ATOM 1167 CD2 LEU A 34 -11.663 4.732 0.204 1.00 0.18 C ATOM 0 H LEU A 34 -15.294 7.094 -0.307 1.00 0.23 H new ATOM 0 HA LEU A 34 -13.348 5.624 -1.765 1.00 0.20 H new ATOM 0 HB2 LEU A 34 -14.998 5.235 0.714 1.00 0.18 H new ATOM 0 HB3 LEU A 34 -14.132 3.867 0.043 1.00 0.18 H new ATOM 0 HG LEU A 34 -12.759 6.482 0.717 1.00 0.18 H new ATOM 0 HD11 LEU A 34 -12.075 5.395 2.804 1.00 0.21 H new ATOM 0 HD12 LEU A 34 -13.843 5.588 2.719 1.00 0.21 H new ATOM 0 HD13 LEU A 34 -13.105 3.997 2.415 1.00 0.21 H new ATOM 0 HD21 LEU A 34 -10.762 5.058 0.723 1.00 0.18 H new ATOM 0 HD22 LEU A 34 -11.761 3.650 0.293 1.00 0.18 H new ATOM 0 HD23 LEU A 34 -11.594 5.005 -0.849 1.00 0.18 H new ATOM 1179 N LYS A 35 -16.494 4.766 -2.038 1.00 0.23 N ATOM 1180 CA LYS A 35 -17.425 3.991 -2.814 1.00 0.29 C ATOM 1181 C LYS A 35 -17.041 3.989 -4.284 1.00 0.25 C ATOM 1182 O LYS A 35 -16.738 2.939 -4.839 1.00 0.27 O ATOM 1183 CB LYS A 35 -18.821 4.566 -2.609 1.00 0.42 C ATOM 1184 CG LYS A 35 -19.902 3.836 -3.357 1.00 0.60 C ATOM 1185 CD LYS A 35 -21.272 4.245 -2.862 1.00 0.71 C ATOM 1186 CE LYS A 35 -22.333 3.466 -3.581 1.00 0.53 C ATOM 1187 NZ LYS A 35 -23.692 3.759 -3.065 1.00 0.89 N ATOM 0 H LYS A 35 -16.932 5.463 -1.436 1.00 0.23 H new ATOM 0 HA LYS A 35 -17.406 2.953 -2.481 1.00 0.29 H new ATOM 0 HB2 LYS A 35 -19.056 4.550 -1.545 1.00 0.42 H new ATOM 0 HB3 LYS A 35 -18.821 5.611 -2.920 1.00 0.42 H new ATOM 0 HG2 LYS A 35 -19.818 4.047 -4.423 1.00 0.60 H new ATOM 0 HG3 LYS A 35 -19.772 2.761 -3.234 1.00 0.60 H new ATOM 0 HD2 LYS A 35 -21.346 4.071 -1.789 1.00 0.71 H new ATOM 0 HD3 LYS A 35 -21.422 5.313 -3.023 1.00 0.71 H new ATOM 0 HE2 LYS A 35 -22.293 3.698 -4.645 1.00 0.53 H new ATOM 0 HE3 LYS A 35 -22.130 2.400 -3.479 1.00 0.53 H new ATOM 0 HZ1 LYS A 35 -24.370 3.762 -3.854 1.00 0.89 H new ATOM 0 HZ2 LYS A 35 -23.966 3.030 -2.376 1.00 0.89 H new ATOM 0 HZ3 LYS A 35 -23.695 4.691 -2.603 1.00 0.89 H new ATOM 1201 N GLU A 36 -17.001 5.166 -4.895 1.00 0.25 N ATOM 1202 CA GLU A 36 -16.705 5.267 -6.318 1.00 0.28 C ATOM 1203 C GLU A 36 -15.281 4.797 -6.614 1.00 0.28 C ATOM 1204 O GLU A 36 -14.980 4.333 -7.714 1.00 0.34 O ATOM 1205 CB GLU A 36 -16.887 6.695 -6.807 1.00 0.32 C ATOM 1206 CG GLU A 36 -17.302 6.767 -8.267 1.00 0.66 C ATOM 1207 CD GLU A 36 -18.723 6.295 -8.493 1.00 0.77 C ATOM 1208 OE1 GLU A 36 -18.949 5.069 -8.601 1.00 1.28 O ATOM 1209 OE2 GLU A 36 -19.621 7.152 -8.581 1.00 1.49 O ATOM 0 H GLU A 36 -17.169 6.059 -4.431 1.00 0.25 H new ATOM 0 HA GLU A 36 -17.405 4.621 -6.848 1.00 0.28 H new ATOM 0 HB2 GLU A 36 -17.640 7.191 -6.195 1.00 0.32 H new ATOM 0 HB3 GLU A 36 -15.954 7.243 -6.671 1.00 0.32 H new ATOM 0 HG2 GLU A 36 -17.204 7.794 -8.618 1.00 0.66 H new ATOM 0 HG3 GLU A 36 -16.622 6.160 -8.864 1.00 0.66 H new ATOM 1216 N LEU A 37 -14.411 4.934 -5.625 1.00 0.25 N ATOM 1217 CA LEU A 37 -13.050 4.429 -5.717 1.00 0.27 C ATOM 1218 C LEU A 37 -13.070 2.934 -5.985 1.00 0.23 C ATOM 1219 O LEU A 37 -12.557 2.456 -7.002 1.00 0.24 O ATOM 1220 CB LEU A 37 -12.314 4.702 -4.407 1.00 0.32 C ATOM 1221 CG LEU A 37 -10.805 4.512 -4.455 1.00 0.40 C ATOM 1222 CD1 LEU A 37 -10.136 5.768 -4.980 1.00 0.33 C ATOM 1223 CD2 LEU A 37 -10.274 4.147 -3.081 1.00 0.74 C ATOM 0 H LEU A 37 -14.627 5.395 -4.741 1.00 0.25 H new ATOM 0 HA LEU A 37 -12.537 4.933 -6.536 1.00 0.27 H new ATOM 0 HB2 LEU A 37 -12.525 5.726 -4.098 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -12.722 4.046 -3.637 1.00 0.32 H new ATOM 0 HG LEU A 37 -10.574 3.692 -5.135 1.00 0.40 H new ATOM 0 HD11 LEU A 37 -9.057 5.620 -5.010 1.00 0.33 H new ATOM 0 HD12 LEU A 37 -10.501 5.982 -5.985 1.00 0.33 H new ATOM 0 HD13 LEU A 37 -10.369 6.606 -4.323 1.00 0.33 H new ATOM 0 HD21 LEU A 37 -9.193 4.014 -3.132 1.00 0.74 H new ATOM 0 HD22 LEU A 37 -10.509 4.945 -2.376 1.00 0.74 H new ATOM 0 HD23 LEU A 37 -10.738 3.219 -2.746 1.00 0.74 H new ATOM 1235 N LEU A 38 -13.703 2.210 -5.078 1.00 0.20 N ATOM 1236 CA LEU A 38 -13.735 0.761 -5.140 1.00 0.20 C ATOM 1237 C LEU A 38 -14.668 0.257 -6.236 1.00 0.22 C ATOM 1238 O LEU A 38 -14.440 -0.802 -6.801 1.00 0.24 O ATOM 1239 CB LEU A 38 -14.135 0.182 -3.782 1.00 0.19 C ATOM 1240 CG LEU A 38 -13.036 0.200 -2.716 1.00 0.18 C ATOM 1241 CD1 LEU A 38 -13.358 1.200 -1.618 1.00 0.19 C ATOM 1242 CD2 LEU A 38 -12.844 -1.191 -2.132 1.00 0.21 C ATOM 0 H LEU A 38 -14.205 2.607 -4.284 1.00 0.20 H new ATOM 0 HA LEU A 38 -12.731 0.419 -5.390 1.00 0.20 H new ATOM 0 HB2 LEU A 38 -14.993 0.739 -3.406 1.00 0.19 H new ATOM 0 HB3 LEU A 38 -14.462 -0.848 -3.926 1.00 0.19 H new ATOM 0 HG LEU A 38 -12.106 0.511 -3.191 1.00 0.18 H new ATOM 0 HD11 LEU A 38 -12.561 1.193 -0.874 1.00 0.19 H new ATOM 0 HD12 LEU A 38 -13.443 2.198 -2.048 1.00 0.19 H new ATOM 0 HD13 LEU A 38 -14.301 0.928 -1.143 1.00 0.19 H new ATOM 0 HD21 LEU A 38 -12.060 -1.163 -1.376 1.00 0.21 H new ATOM 0 HD22 LEU A 38 -13.776 -1.526 -1.676 1.00 0.21 H new ATOM 0 HD23 LEU A 38 -12.559 -1.882 -2.925 1.00 0.21 H new ATOM 1254 N THR A 39 -15.708 1.012 -6.547 1.00 0.23 N ATOM 1255 CA THR A 39 -16.673 0.582 -7.563 1.00 0.26 C ATOM 1256 C THR A 39 -16.019 0.509 -8.936 1.00 0.27 C ATOM 1257 O THR A 39 -16.273 -0.412 -9.715 1.00 0.30 O ATOM 1258 CB THR A 39 -17.896 1.519 -7.658 1.00 0.29 C ATOM 1259 OG1 THR A 39 -17.462 2.868 -7.865 1.00 0.33 O ATOM 1260 CG2 THR A 39 -18.753 1.440 -6.406 1.00 0.30 C ATOM 0 H THR A 39 -15.911 1.916 -6.121 1.00 0.23 H new ATOM 0 HA THR A 39 -17.015 -0.405 -7.250 1.00 0.26 H new ATOM 0 HB THR A 39 -18.503 1.196 -8.504 1.00 0.29 H new ATOM 0 HG1 THR A 39 -18.218 3.412 -8.169 1.00 0.33 H new ATOM 0 HG21 THR A 39 -19.606 2.112 -6.506 1.00 0.30 H new ATOM 0 HG22 THR A 39 -19.110 0.419 -6.273 1.00 0.30 H new ATOM 0 HG23 THR A 39 -18.160 1.733 -5.540 1.00 0.30 H new ATOM 1268 N ARG A 40 -15.169 1.484 -9.215 1.00 0.27 N ATOM 1269 CA ARG A 40 -14.562 1.610 -10.526 1.00 0.30 C ATOM 1270 C ARG A 40 -13.268 0.813 -10.636 1.00 0.29 C ATOM 1271 O ARG A 40 -13.147 -0.076 -11.479 1.00 0.33 O ATOM 1272 CB ARG A 40 -14.290 3.082 -10.839 1.00 0.34 C ATOM 1273 CG ARG A 40 -15.543 3.942 -10.901 1.00 0.36 C ATOM 1274 CD ARG A 40 -16.568 3.369 -11.864 1.00 0.47 C ATOM 1275 NE ARG A 40 -15.982 3.055 -13.168 1.00 0.67 N ATOM 1276 CZ ARG A 40 -16.378 2.044 -13.946 1.00 0.90 C ATOM 1277 NH1 ARG A 40 -17.380 1.255 -13.567 1.00 1.24 N ATOM 1278 NH2 ARG A 40 -15.769 1.823 -15.103 1.00 1.09 N ATOM 0 H ARG A 40 -14.884 2.201 -8.547 1.00 0.27 H new ATOM 0 HA ARG A 40 -15.266 1.202 -11.251 1.00 0.30 H new ATOM 0 HB2 ARG A 40 -13.621 3.487 -10.080 1.00 0.34 H new ATOM 0 HB3 ARG A 40 -13.767 3.150 -11.793 1.00 0.34 H new ATOM 0 HG2 ARG A 40 -15.981 4.019 -9.906 1.00 0.36 H new ATOM 0 HG3 ARG A 40 -15.276 4.952 -11.211 1.00 0.36 H new ATOM 0 HD2 ARG A 40 -17.003 2.466 -11.435 1.00 0.47 H new ATOM 0 HD3 ARG A 40 -17.381 4.083 -11.995 1.00 0.47 H new ATOM 0 HE ARG A 40 -15.222 3.646 -13.504 1.00 0.67 H new ATOM 0 HH11 ARG A 40 -17.851 1.420 -12.677 1.00 1.24 H new ATOM 0 HH12 ARG A 40 -17.677 0.485 -14.166 1.00 1.24 H new ATOM 0 HH21 ARG A 40 -15.000 2.424 -15.397 1.00 1.09 H new ATOM 0 HH22 ARG A 40 -16.070 1.051 -15.699 1.00 1.09 H new ATOM 1292 N GLU A 41 -12.303 1.125 -9.784 1.00 0.29 N ATOM 1293 CA GLU A 41 -10.965 0.574 -9.932 1.00 0.32 C ATOM 1294 C GLU A 41 -10.690 -0.601 -8.995 1.00 0.35 C ATOM 1295 O GLU A 41 -9.667 -1.265 -9.124 1.00 0.46 O ATOM 1296 CB GLU A 41 -9.914 1.673 -9.770 1.00 0.38 C ATOM 1297 CG GLU A 41 -9.664 2.434 -11.063 1.00 0.47 C ATOM 1298 CD GLU A 41 -8.724 3.614 -10.907 1.00 0.83 C ATOM 1299 OE1 GLU A 41 -7.596 3.422 -10.414 1.00 1.60 O ATOM 1300 OE2 GLU A 41 -9.105 4.739 -11.295 1.00 1.54 O ATOM 0 H GLU A 41 -12.420 1.752 -8.988 1.00 0.29 H new ATOM 0 HA GLU A 41 -10.900 0.170 -10.942 1.00 0.32 H new ATOM 0 HB2 GLU A 41 -10.239 2.371 -8.998 1.00 0.38 H new ATOM 0 HB3 GLU A 41 -8.979 1.230 -9.426 1.00 0.38 H new ATOM 0 HG2 GLU A 41 -9.252 1.748 -11.803 1.00 0.47 H new ATOM 0 HG3 GLU A 41 -10.617 2.790 -11.454 1.00 0.47 H new ATOM 1307 N LEU A 42 -11.596 -0.875 -8.064 1.00 0.28 N ATOM 1308 CA LEU A 42 -11.451 -2.054 -7.203 1.00 0.29 C ATOM 1309 C LEU A 42 -12.698 -2.952 -7.265 1.00 0.28 C ATOM 1310 O LEU A 42 -13.144 -3.453 -6.234 1.00 0.26 O ATOM 1311 CB LEU A 42 -11.206 -1.644 -5.740 1.00 0.27 C ATOM 1312 CG LEU A 42 -9.957 -0.805 -5.469 1.00 0.27 C ATOM 1313 CD1 LEU A 42 -10.212 0.674 -5.745 1.00 0.27 C ATOM 1314 CD2 LEU A 42 -9.489 -1.007 -4.040 1.00 0.31 C ATOM 0 H LEU A 42 -12.427 -0.311 -7.883 1.00 0.28 H new ATOM 0 HA LEU A 42 -10.591 -2.611 -7.574 1.00 0.29 H new ATOM 0 HB2 LEU A 42 -12.075 -1.086 -5.392 1.00 0.27 H new ATOM 0 HB3 LEU A 42 -11.147 -2.550 -5.137 1.00 0.27 H new ATOM 0 HG LEU A 42 -9.172 -1.139 -6.147 1.00 0.27 H new ATOM 0 HD11 LEU A 42 -9.305 1.244 -5.543 1.00 0.27 H new ATOM 0 HD12 LEU A 42 -10.498 0.805 -6.789 1.00 0.27 H new ATOM 0 HD13 LEU A 42 -11.016 1.031 -5.101 1.00 0.27 H new ATOM 0 HD21 LEU A 42 -8.599 -0.404 -3.860 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -10.278 -0.703 -3.352 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -9.253 -2.059 -3.880 1.00 0.31 H new ATOM 1326 N PRO A 43 -13.253 -3.224 -8.467 1.00 0.32 N ATOM 1327 CA PRO A 43 -14.564 -3.872 -8.584 1.00 0.34 C ATOM 1328 C PRO A 43 -14.540 -5.327 -8.130 1.00 0.35 C ATOM 1329 O PRO A 43 -15.512 -5.828 -7.559 1.00 0.38 O ATOM 1330 CB PRO A 43 -14.885 -3.772 -10.075 1.00 0.43 C ATOM 1331 CG PRO A 43 -13.565 -3.668 -10.752 1.00 0.52 C ATOM 1332 CD PRO A 43 -12.645 -2.974 -9.789 1.00 0.36 C ATOM 0 HA PRO A 43 -15.309 -3.395 -7.947 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -15.436 -4.647 -10.419 1.00 0.43 H new ATOM 0 HB3 PRO A 43 -15.506 -2.901 -10.287 1.00 0.43 H new ATOM 0 HG2 PRO A 43 -13.183 -4.656 -11.010 1.00 0.52 H new ATOM 0 HG3 PRO A 43 -13.649 -3.105 -11.682 1.00 0.52 H new ATOM 0 HD2 PRO A 43 -11.633 -3.375 -9.845 1.00 0.36 H new ATOM 0 HD3 PRO A 43 -12.577 -1.907 -10.001 1.00 0.36 H new ATOM 1340 N SER A 44 -13.421 -5.996 -8.367 1.00 0.37 N ATOM 1341 CA SER A 44 -13.251 -7.374 -7.941 1.00 0.41 C ATOM 1342 C SER A 44 -13.196 -7.438 -6.421 1.00 0.37 C ATOM 1343 O SER A 44 -13.541 -8.445 -5.812 1.00 0.42 O ATOM 1344 CB SER A 44 -11.975 -7.950 -8.553 1.00 0.48 C ATOM 1345 OG SER A 44 -11.951 -7.733 -9.955 1.00 1.09 O ATOM 0 H SER A 44 -12.615 -5.603 -8.854 1.00 0.37 H new ATOM 0 HA SER A 44 -14.098 -7.969 -8.283 1.00 0.41 H new ATOM 0 HB2 SER A 44 -11.103 -7.486 -8.093 1.00 0.48 H new ATOM 0 HB3 SER A 44 -11.915 -9.018 -8.344 1.00 0.48 H new ATOM 0 HG SER A 44 -11.126 -8.107 -10.330 1.00 1.09 H new ATOM 1351 N PHE A 45 -12.809 -6.322 -5.822 1.00 0.33 N ATOM 1352 CA PHE A 45 -12.690 -6.223 -4.379 1.00 0.34 C ATOM 1353 C PHE A 45 -13.999 -5.731 -3.776 1.00 0.36 C ATOM 1354 O PHE A 45 -14.039 -5.305 -2.627 1.00 0.40 O ATOM 1355 CB PHE A 45 -11.534 -5.294 -4.004 1.00 0.33 C ATOM 1356 CG PHE A 45 -10.220 -5.719 -4.598 1.00 0.35 C ATOM 1357 CD1 PHE A 45 -9.546 -6.824 -4.102 1.00 1.31 C ATOM 1358 CD2 PHE A 45 -9.663 -5.020 -5.657 1.00 1.17 C ATOM 1359 CE1 PHE A 45 -8.341 -7.222 -4.651 1.00 1.36 C ATOM 1360 CE2 PHE A 45 -8.459 -5.412 -6.209 1.00 1.15 C ATOM 1361 CZ PHE A 45 -7.797 -6.517 -5.706 1.00 0.46 C ATOM 0 H PHE A 45 -12.570 -5.465 -6.321 1.00 0.33 H new ATOM 0 HA PHE A 45 -12.477 -7.212 -3.974 1.00 0.34 H new ATOM 0 HB2 PHE A 45 -11.766 -4.282 -4.337 1.00 0.33 H new ATOM 0 HB3 PHE A 45 -11.441 -5.259 -2.919 1.00 0.33 H new ATOM 0 HD1 PHE A 45 -9.967 -7.380 -3.277 1.00 1.31 H new ATOM 0 HD2 PHE A 45 -10.177 -4.158 -6.056 1.00 1.17 H new ATOM 0 HE1 PHE A 45 -7.825 -8.084 -4.255 1.00 1.36 H new ATOM 0 HE2 PHE A 45 -8.035 -4.856 -7.032 1.00 1.15 H new ATOM 0 HZ PHE A 45 -6.857 -6.828 -6.137 1.00 0.46 H new ATOM 1371 N LEU A 46 -15.054 -5.728 -4.587 1.00 0.36 N ATOM 1372 CA LEU A 46 -16.400 -5.472 -4.088 1.00 0.40 C ATOM 1373 C LEU A 46 -17.328 -6.647 -4.378 1.00 0.55 C ATOM 1374 O LEU A 46 -18.353 -6.824 -3.718 1.00 0.70 O ATOM 1375 CB LEU A 46 -17.000 -4.216 -4.715 1.00 0.35 C ATOM 1376 CG LEU A 46 -16.220 -2.924 -4.503 1.00 0.32 C ATOM 1377 CD1 LEU A 46 -17.015 -1.754 -5.052 1.00 0.34 C ATOM 1378 CD2 LEU A 46 -15.907 -2.711 -3.030 1.00 0.30 C ATOM 0 H LEU A 46 -15.002 -5.900 -5.591 1.00 0.36 H new ATOM 0 HA LEU A 46 -16.310 -5.331 -3.011 1.00 0.40 H new ATOM 0 HB2 LEU A 46 -17.103 -4.383 -5.787 1.00 0.35 H new ATOM 0 HB3 LEU A 46 -18.005 -4.080 -4.316 1.00 0.35 H new ATOM 0 HG LEU A 46 -15.272 -2.996 -5.037 1.00 0.32 H new ATOM 0 HD11 LEU A 46 -16.456 -0.831 -4.900 1.00 0.34 H new ATOM 0 HD12 LEU A 46 -17.190 -1.901 -6.118 1.00 0.34 H new ATOM 0 HD13 LEU A 46 -17.971 -1.689 -4.533 1.00 0.34 H new ATOM 0 HD21 LEU A 46 -15.350 -1.782 -2.907 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -16.837 -2.654 -2.465 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -15.309 -3.544 -2.661 1.00 0.30 H new ATOM 1390 N GLY A 47 -16.998 -7.418 -5.407 1.00 0.64 N ATOM 1391 CA GLY A 47 -17.843 -8.530 -5.804 1.00 0.82 C ATOM 1392 C GLY A 47 -19.134 -8.064 -6.454 1.00 0.87 C ATOM 1393 O GLY A 47 -20.029 -8.869 -6.726 1.00 1.23 O ATOM 0 H GLY A 47 -16.160 -7.293 -5.975 1.00 0.64 H new ATOM 0 HA2 GLY A 47 -17.298 -9.169 -6.499 1.00 0.82 H new ATOM 0 HA3 GLY A 47 -18.077 -9.137 -4.929 1.00 0.82 H new ATOM 1397 N LYS A 48 -19.230 -6.748 -6.676 1.00 0.79 N ATOM 1398 CA LYS A 48 -20.392 -6.126 -7.322 1.00 0.95 C ATOM 1399 C LYS A 48 -21.634 -6.204 -6.435 1.00 0.73 C ATOM 1400 O LYS A 48 -22.731 -5.817 -6.837 1.00 0.97 O ATOM 1401 CB LYS A 48 -20.671 -6.770 -8.685 1.00 1.43 C ATOM 1402 CG LYS A 48 -19.788 -6.249 -9.814 1.00 2.17 C ATOM 1403 CD LYS A 48 -18.309 -6.304 -9.460 1.00 2.32 C ATOM 1404 CE LYS A 48 -17.421 -6.023 -10.660 1.00 2.88 C ATOM 1405 NZ LYS A 48 -17.367 -7.178 -11.590 1.00 3.51 N ATOM 0 H LYS A 48 -18.503 -6.083 -6.412 1.00 0.79 H new ATOM 0 HA LYS A 48 -20.153 -5.074 -7.477 1.00 0.95 H new ATOM 0 HB2 LYS A 48 -20.535 -7.848 -8.600 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -21.715 -6.601 -8.948 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -19.967 -6.838 -10.714 1.00 2.17 H new ATOM 0 HG3 LYS A 48 -20.066 -5.221 -10.046 1.00 2.17 H new ATOM 0 HD2 LYS A 48 -18.098 -5.577 -8.676 1.00 2.32 H new ATOM 0 HD3 LYS A 48 -18.070 -7.288 -9.056 1.00 2.32 H new ATOM 0 HE2 LYS A 48 -17.794 -5.147 -11.190 1.00 2.88 H new ATOM 0 HE3 LYS A 48 -16.414 -5.784 -10.319 1.00 2.88 H new ATOM 0 HZ1 LYS A 48 -16.686 -6.980 -12.351 1.00 3.51 H new ATOM 0 HZ2 LYS A 48 -17.068 -8.028 -11.071 1.00 3.51 H new ATOM 0 HZ3 LYS A 48 -18.309 -7.337 -12.001 1.00 3.51 H new ATOM 1419 N ARG A 49 -21.445 -6.695 -5.226 1.00 0.73 N ATOM 1420 CA ARG A 49 -22.530 -6.823 -4.262 1.00 0.70 C ATOM 1421 C ARG A 49 -22.227 -6.033 -3.003 1.00 0.61 C ATOM 1422 O ARG A 49 -22.719 -6.342 -1.917 1.00 0.75 O ATOM 1423 CB ARG A 49 -22.770 -8.293 -3.924 1.00 0.97 C ATOM 1424 CG ARG A 49 -21.528 -9.006 -3.421 1.00 1.10 C ATOM 1425 CD ARG A 49 -21.851 -10.376 -2.853 1.00 1.54 C ATOM 1426 NE ARG A 49 -22.617 -11.204 -3.787 1.00 2.02 N ATOM 1427 CZ ARG A 49 -22.138 -12.260 -4.444 1.00 2.68 C ATOM 1428 NH1 ARG A 49 -20.854 -12.587 -4.372 1.00 3.06 N ATOM 1429 NH2 ARG A 49 -22.956 -12.980 -5.200 1.00 3.24 N ATOM 0 H ARG A 49 -20.540 -7.016 -4.881 1.00 0.73 H new ATOM 0 HA ARG A 49 -23.436 -6.416 -4.710 1.00 0.70 H new ATOM 0 HB2 ARG A 49 -23.551 -8.361 -3.167 1.00 0.97 H new ATOM 0 HB3 ARG A 49 -23.141 -8.806 -4.811 1.00 0.97 H new ATOM 0 HG2 ARG A 49 -20.814 -9.111 -4.238 1.00 1.10 H new ATOM 0 HG3 ARG A 49 -21.047 -8.399 -2.654 1.00 1.10 H new ATOM 0 HD2 ARG A 49 -20.923 -10.887 -2.596 1.00 1.54 H new ATOM 0 HD3 ARG A 49 -22.417 -10.258 -1.929 1.00 1.54 H new ATOM 0 HE ARG A 49 -23.593 -10.953 -3.947 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -20.216 -12.027 -3.807 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -20.505 -13.399 -4.882 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -23.940 -12.723 -5.274 1.00 3.24 H new ATOM 0 HH22 ARG A 49 -22.601 -13.790 -5.707 1.00 3.24 H new ATOM 1443 N THR A 50 -21.431 -5.000 -3.163 1.00 0.55 N ATOM 1444 CA THR A 50 -21.093 -4.126 -2.064 1.00 0.50 C ATOM 1445 C THR A 50 -22.144 -3.063 -1.866 1.00 0.50 C ATOM 1446 O THR A 50 -22.381 -2.218 -2.735 1.00 0.56 O ATOM 1447 CB THR A 50 -19.740 -3.459 -2.277 1.00 0.54 C ATOM 1448 OG1 THR A 50 -19.554 -3.202 -3.673 1.00 0.91 O ATOM 1449 CG2 THR A 50 -18.625 -4.334 -1.733 1.00 0.51 C ATOM 0 H THR A 50 -21.003 -4.744 -4.052 1.00 0.55 H new ATOM 0 HA THR A 50 -21.043 -4.750 -1.171 1.00 0.50 H new ATOM 0 HB THR A 50 -19.713 -2.513 -1.736 1.00 0.54 H new ATOM 0 HG1 THR A 50 -19.906 -2.314 -3.892 1.00 0.91 H new ATOM 0 HG21 THR A 50 -17.665 -3.842 -1.893 1.00 0.51 H new ATOM 0 HG22 THR A 50 -18.776 -4.495 -0.666 1.00 0.51 H new ATOM 0 HG23 THR A 50 -18.631 -5.294 -2.249 1.00 0.51 H new ATOM 1457 N ASP A 51 -22.793 -3.139 -0.732 1.00 0.49 N ATOM 1458 CA ASP A 51 -23.722 -2.109 -0.314 1.00 0.51 C ATOM 1459 C ASP A 51 -22.978 -1.133 0.569 1.00 0.44 C ATOM 1460 O ASP A 51 -21.751 -1.199 0.682 1.00 0.43 O ATOM 1461 CB ASP A 51 -24.906 -2.703 0.458 1.00 0.60 C ATOM 1462 CG ASP A 51 -25.736 -3.658 -0.372 1.00 1.15 C ATOM 1463 OD1 ASP A 51 -26.220 -3.249 -1.444 1.00 1.72 O ATOM 1464 OD2 ASP A 51 -25.928 -4.817 0.057 1.00 1.94 O ATOM 0 H ASP A 51 -22.696 -3.911 -0.072 1.00 0.49 H new ATOM 0 HA ASP A 51 -24.121 -1.609 -1.197 1.00 0.51 H new ATOM 0 HB2 ASP A 51 -24.532 -3.226 1.338 1.00 0.60 H new ATOM 0 HB3 ASP A 51 -25.543 -1.893 0.815 1.00 0.60 H new ATOM 1469 N GLU A 52 -23.705 -0.248 1.223 1.00 0.47 N ATOM 1470 CA GLU A 52 -23.088 0.675 2.154 1.00 0.46 C ATOM 1471 C GLU A 52 -22.737 -0.066 3.448 1.00 0.46 C ATOM 1472 O GLU A 52 -22.156 0.500 4.368 1.00 0.46 O ATOM 1473 CB GLU A 52 -24.010 1.865 2.438 1.00 0.49 C ATOM 1474 CG GLU A 52 -24.570 2.536 1.184 1.00 0.52 C ATOM 1475 CD GLU A 52 -23.543 2.741 0.093 1.00 0.71 C ATOM 1476 OE1 GLU A 52 -22.668 3.614 0.240 1.00 1.27 O ATOM 1477 OE2 GLU A 52 -23.623 2.035 -0.935 1.00 1.44 O ATOM 0 H GLU A 52 -24.716 -0.149 1.128 1.00 0.47 H new ATOM 0 HA GLU A 52 -22.174 1.069 1.710 1.00 0.46 H new ATOM 0 HB2 GLU A 52 -24.841 1.527 3.058 1.00 0.49 H new ATOM 0 HB3 GLU A 52 -23.460 2.606 3.018 1.00 0.49 H new ATOM 0 HG2 GLU A 52 -25.387 1.930 0.792 1.00 0.52 H new ATOM 0 HG3 GLU A 52 -24.993 3.502 1.458 1.00 0.52 H new ATOM 1484 N ALA A 53 -23.102 -1.349 3.498 1.00 0.52 N ATOM 1485 CA ALA A 53 -22.789 -2.207 4.634 1.00 0.58 C ATOM 1486 C ALA A 53 -21.383 -2.791 4.504 1.00 0.57 C ATOM 1487 O ALA A 53 -20.581 -2.710 5.435 1.00 0.68 O ATOM 1488 CB ALA A 53 -23.821 -3.320 4.754 1.00 0.65 C ATOM 0 H ALA A 53 -23.620 -1.817 2.754 1.00 0.52 H new ATOM 0 HA ALA A 53 -22.821 -1.602 5.540 1.00 0.58 H new ATOM 0 HB1 ALA A 53 -23.575 -3.954 5.606 1.00 0.65 H new ATOM 0 HB2 ALA A 53 -24.810 -2.885 4.898 1.00 0.65 H new ATOM 0 HB3 ALA A 53 -23.817 -3.919 3.844 1.00 0.65 H new ATOM 1494 N ALA A 54 -21.081 -3.376 3.342 1.00 0.49 N ATOM 1495 CA ALA A 54 -19.740 -3.895 3.078 1.00 0.50 C ATOM 1496 C ALA A 54 -18.726 -2.760 3.164 1.00 0.45 C ATOM 1497 O ALA A 54 -17.606 -2.940 3.642 1.00 0.52 O ATOM 1498 CB ALA A 54 -19.673 -4.583 1.710 1.00 0.49 C ATOM 0 H ALA A 54 -21.742 -3.501 2.576 1.00 0.49 H new ATOM 0 HA ALA A 54 -19.500 -4.644 3.833 1.00 0.50 H new ATOM 0 HB1 ALA A 54 -18.664 -4.959 1.541 1.00 0.49 H new ATOM 0 HB2 ALA A 54 -20.379 -5.413 1.685 1.00 0.49 H new ATOM 0 HB3 ALA A 54 -19.929 -3.866 0.929 1.00 0.49 H new ATOM 1504 N PHE A 55 -19.152 -1.581 2.732 1.00 0.36 N ATOM 1505 CA PHE A 55 -18.318 -0.387 2.769 1.00 0.32 C ATOM 1506 C PHE A 55 -18.216 0.199 4.171 1.00 0.34 C ATOM 1507 O PHE A 55 -17.195 0.788 4.528 1.00 0.34 O ATOM 1508 CB PHE A 55 -18.874 0.666 1.818 1.00 0.31 C ATOM 1509 CG PHE A 55 -18.305 0.584 0.437 1.00 0.28 C ATOM 1510 CD1 PHE A 55 -18.810 -0.310 -0.495 1.00 1.20 C ATOM 1511 CD2 PHE A 55 -17.260 1.413 0.073 1.00 1.20 C ATOM 1512 CE1 PHE A 55 -18.278 -0.370 -1.766 1.00 1.20 C ATOM 1513 CE2 PHE A 55 -16.726 1.353 -1.194 1.00 1.21 C ATOM 1514 CZ PHE A 55 -17.234 0.462 -2.116 1.00 0.31 C ATOM 0 H PHE A 55 -20.083 -1.425 2.347 1.00 0.36 H new ATOM 0 HA PHE A 55 -17.316 -0.682 2.457 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -19.957 0.558 1.763 1.00 0.31 H new ATOM 0 HB3 PHE A 55 -18.672 1.656 2.227 1.00 0.31 H new ATOM 0 HD1 PHE A 55 -19.626 -0.964 -0.224 1.00 1.20 H new ATOM 0 HD2 PHE A 55 -16.859 2.114 0.790 1.00 1.20 H new ATOM 0 HE1 PHE A 55 -18.678 -1.068 -2.487 1.00 1.20 H new ATOM 0 HE2 PHE A 55 -15.909 2.004 -1.466 1.00 1.21 H new ATOM 0 HZ PHE A 55 -16.815 0.415 -3.110 1.00 0.31 H new ATOM 1524 N GLN A 56 -19.268 0.031 4.966 1.00 0.37 N ATOM 1525 CA GLN A 56 -19.317 0.609 6.305 1.00 0.40 C ATOM 1526 C GLN A 56 -18.164 0.108 7.164 1.00 0.37 C ATOM 1527 O GLN A 56 -17.475 0.895 7.811 1.00 0.42 O ATOM 1528 CB GLN A 56 -20.646 0.277 6.984 1.00 0.46 C ATOM 1529 CG GLN A 56 -20.800 0.908 8.358 1.00 0.58 C ATOM 1530 CD GLN A 56 -22.134 0.591 8.998 1.00 0.68 C ATOM 1531 OE1 GLN A 56 -23.110 1.314 8.813 1.00 1.42 O ATOM 1532 NE2 GLN A 56 -22.184 -0.491 9.757 1.00 1.00 N ATOM 0 H GLN A 56 -20.099 -0.501 4.706 1.00 0.37 H new ATOM 0 HA GLN A 56 -19.227 1.690 6.201 1.00 0.40 H new ATOM 0 HB2 GLN A 56 -21.464 0.611 6.346 1.00 0.46 H new ATOM 0 HB3 GLN A 56 -20.736 -0.805 7.078 1.00 0.46 H new ATOM 0 HG2 GLN A 56 -19.997 0.557 9.007 1.00 0.58 H new ATOM 0 HG3 GLN A 56 -20.690 1.989 8.272 1.00 0.58 H new ATOM 0 HE21 GLN A 56 -21.350 -1.064 9.884 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -23.057 -0.753 10.215 1.00 1.00 H new ATOM 1541 N LYS A 57 -17.937 -1.196 7.151 1.00 0.34 N ATOM 1542 CA LYS A 57 -16.921 -1.776 8.010 1.00 0.35 C ATOM 1543 C LYS A 57 -15.560 -1.694 7.329 1.00 0.29 C ATOM 1544 O LYS A 57 -14.524 -1.737 7.984 1.00 0.34 O ATOM 1545 CB LYS A 57 -17.284 -3.212 8.388 1.00 0.47 C ATOM 1546 CG LYS A 57 -16.802 -3.615 9.776 1.00 0.85 C ATOM 1547 CD LYS A 57 -15.366 -4.107 9.769 1.00 0.57 C ATOM 1548 CE LYS A 57 -14.788 -4.126 11.173 1.00 0.63 C ATOM 1549 NZ LYS A 57 -13.646 -5.074 11.299 1.00 0.92 N ATOM 0 H LYS A 57 -18.436 -1.864 6.563 1.00 0.34 H new ATOM 0 HA LYS A 57 -16.869 -1.206 8.938 1.00 0.35 H new ATOM 0 HB2 LYS A 57 -18.367 -3.330 8.340 1.00 0.47 H new ATOM 0 HB3 LYS A 57 -16.856 -3.892 7.652 1.00 0.47 H new ATOM 0 HG2 LYS A 57 -16.888 -2.762 10.449 1.00 0.85 H new ATOM 0 HG3 LYS A 57 -17.450 -4.398 10.170 1.00 0.85 H new ATOM 0 HD2 LYS A 57 -15.324 -5.109 9.341 1.00 0.57 H new ATOM 0 HD3 LYS A 57 -14.761 -3.462 9.132 1.00 0.57 H new ATOM 0 HE2 LYS A 57 -14.456 -3.123 11.441 1.00 0.63 H new ATOM 0 HE3 LYS A 57 -15.568 -4.404 11.882 1.00 0.63 H new ATOM 0 HZ1 LYS A 57 -13.697 -5.558 12.218 1.00 0.92 H new ATOM 0 HZ2 LYS A 57 -13.692 -5.777 10.534 1.00 0.92 H new ATOM 0 HZ3 LYS A 57 -12.750 -4.549 11.233 1.00 0.92 H new ATOM 1563 N LEU A 58 -15.575 -1.558 6.007 1.00 0.24 N ATOM 1564 CA LEU A 58 -14.373 -1.203 5.267 1.00 0.20 C ATOM 1565 C LEU A 58 -13.829 0.106 5.808 1.00 0.20 C ATOM 1566 O LEU A 58 -12.717 0.163 6.328 1.00 0.22 O ATOM 1567 CB LEU A 58 -14.688 -1.061 3.774 1.00 0.20 C ATOM 1568 CG LEU A 58 -13.685 -0.227 2.973 1.00 0.19 C ATOM 1569 CD1 LEU A 58 -12.279 -0.793 3.109 1.00 0.20 C ATOM 1570 CD2 LEU A 58 -14.104 -0.142 1.513 1.00 0.23 C ATOM 0 H LEU A 58 -16.405 -1.688 5.429 1.00 0.24 H new ATOM 0 HA LEU A 58 -13.629 -1.990 5.388 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -14.742 -2.057 3.334 1.00 0.20 H new ATOM 0 HB3 LEU A 58 -15.676 -0.612 3.668 1.00 0.20 H new ATOM 0 HG LEU A 58 -13.677 0.784 3.381 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -11.584 -0.184 2.531 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -11.983 -0.785 4.158 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -12.261 -1.817 2.735 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -13.378 0.455 0.960 1.00 0.23 H new ATOM 0 HD22 LEU A 58 -14.148 -1.145 1.088 1.00 0.23 H new ATOM 0 HD23 LEU A 58 -15.086 0.325 1.443 1.00 0.23 H new ATOM 1582 N MET A 59 -14.640 1.143 5.685 1.00 0.21 N ATOM 1583 CA MET A 59 -14.314 2.460 6.216 1.00 0.26 C ATOM 1584 C MET A 59 -14.075 2.414 7.721 1.00 0.27 C ATOM 1585 O MET A 59 -13.262 3.158 8.237 1.00 0.33 O ATOM 1586 CB MET A 59 -15.422 3.459 5.862 1.00 0.36 C ATOM 1587 CG MET A 59 -15.505 4.666 6.788 1.00 0.34 C ATOM 1588 SD MET A 59 -16.119 6.141 5.973 1.00 0.72 S ATOM 1589 CE MET A 59 -14.597 6.755 5.276 1.00 0.32 C ATOM 0 H MET A 59 -15.544 1.098 5.214 1.00 0.21 H new ATOM 0 HA MET A 59 -13.384 2.793 5.755 1.00 0.26 H new ATOM 0 HB2 MET A 59 -15.265 3.810 4.842 1.00 0.36 H new ATOM 0 HB3 MET A 59 -16.380 2.940 5.876 1.00 0.36 H new ATOM 0 HG2 MET A 59 -16.155 4.426 7.629 1.00 0.34 H new ATOM 0 HG3 MET A 59 -14.516 4.870 7.198 1.00 0.34 H new ATOM 0 HE1 MET A 59 -14.261 7.623 5.844 1.00 0.32 H new ATOM 0 HE2 MET A 59 -13.836 5.976 5.320 1.00 0.32 H new ATOM 0 HE3 MET A 59 -14.762 7.043 4.238 1.00 0.32 H new ATOM 1599 N SER A 60 -14.778 1.536 8.418 1.00 0.28 N ATOM 1600 CA SER A 60 -14.567 1.355 9.851 1.00 0.35 C ATOM 1601 C SER A 60 -13.134 0.911 10.130 1.00 0.32 C ATOM 1602 O SER A 60 -12.456 1.464 10.994 1.00 0.36 O ATOM 1603 CB SER A 60 -15.527 0.298 10.376 1.00 0.41 C ATOM 1604 OG SER A 60 -15.529 0.242 11.795 1.00 0.64 O ATOM 0 H SER A 60 -15.500 0.936 8.018 1.00 0.28 H new ATOM 0 HA SER A 60 -14.747 2.306 10.352 1.00 0.35 H new ATOM 0 HB2 SER A 60 -16.534 0.514 10.020 1.00 0.41 H new ATOM 0 HB3 SER A 60 -15.249 -0.676 9.975 1.00 0.41 H new ATOM 0 HG SER A 60 -16.159 -0.447 12.094 1.00 0.64 H new ATOM 1610 N ASN A 61 -12.690 -0.099 9.392 1.00 0.30 N ATOM 1611 CA ASN A 61 -11.339 -0.633 9.539 1.00 0.31 C ATOM 1612 C ASN A 61 -10.338 0.387 9.045 1.00 0.31 C ATOM 1613 O ASN A 61 -9.277 0.593 9.630 1.00 0.39 O ATOM 1614 CB ASN A 61 -11.188 -1.910 8.723 1.00 0.34 C ATOM 1615 CG ASN A 61 -11.770 -3.137 9.386 1.00 0.43 C ATOM 1616 OD1 ASN A 61 -11.822 -3.235 10.609 1.00 0.95 O ATOM 1617 ND2 ASN A 61 -12.186 -4.100 8.572 1.00 0.57 N ATOM 0 H ASN A 61 -13.250 -0.569 8.680 1.00 0.30 H new ATOM 0 HA ASN A 61 -11.160 -0.853 10.591 1.00 0.31 H new ATOM 0 HB2 ASN A 61 -11.670 -1.770 7.755 1.00 0.34 H new ATOM 0 HB3 ASN A 61 -10.129 -2.082 8.530 1.00 0.34 H new ATOM 0 HD21 ASN A 61 -12.568 -4.964 8.957 1.00 0.57 H new ATOM 0 HD22 ASN A 61 -12.124 -3.976 7.561 1.00 0.57 H new ATOM 1624 N LEU A 62 -10.707 0.997 7.943 1.00 0.30 N ATOM 1625 CA LEU A 62 -9.910 2.051 7.315 1.00 0.33 C ATOM 1626 C LEU A 62 -9.683 3.232 8.251 1.00 0.33 C ATOM 1627 O LEU A 62 -8.552 3.665 8.465 1.00 0.38 O ATOM 1628 CB LEU A 62 -10.614 2.546 6.055 1.00 0.37 C ATOM 1629 CG LEU A 62 -9.763 2.503 4.799 1.00 0.24 C ATOM 1630 CD1 LEU A 62 -9.187 1.120 4.631 1.00 0.52 C ATOM 1631 CD2 LEU A 62 -10.581 2.881 3.578 1.00 0.28 C ATOM 0 H LEU A 62 -11.572 0.782 7.446 1.00 0.30 H new ATOM 0 HA LEU A 62 -8.939 1.622 7.068 1.00 0.33 H new ATOM 0 HB2 LEU A 62 -11.508 1.944 5.893 1.00 0.37 H new ATOM 0 HB3 LEU A 62 -10.946 3.571 6.219 1.00 0.37 H new ATOM 0 HG LEU A 62 -8.953 3.225 4.899 1.00 0.24 H new ATOM 0 HD11 LEU A 62 -8.576 1.088 3.729 1.00 0.52 H new ATOM 0 HD12 LEU A 62 -8.571 0.875 5.496 1.00 0.52 H new ATOM 0 HD13 LEU A 62 -9.998 0.396 4.546 1.00 0.52 H new ATOM 0 HD21 LEU A 62 -9.949 2.843 2.691 1.00 0.28 H new ATOM 0 HD22 LEU A 62 -11.409 2.182 3.464 1.00 0.28 H new ATOM 0 HD23 LEU A 62 -10.973 3.891 3.701 1.00 0.28 H new ATOM 1643 N ASP A 63 -10.776 3.746 8.782 1.00 0.37 N ATOM 1644 CA ASP A 63 -10.765 4.930 9.627 1.00 0.43 C ATOM 1645 C ASP A 63 -10.179 4.604 10.997 1.00 0.38 C ATOM 1646 O ASP A 63 -10.901 4.305 11.948 1.00 0.43 O ATOM 1647 CB ASP A 63 -12.197 5.461 9.743 1.00 0.56 C ATOM 1648 CG ASP A 63 -12.331 6.708 10.580 1.00 0.85 C ATOM 1649 OD1 ASP A 63 -11.497 7.623 10.455 1.00 1.35 O ATOM 1650 OD2 ASP A 63 -13.302 6.785 11.359 1.00 1.56 O ATOM 0 H ASP A 63 -11.706 3.352 8.639 1.00 0.37 H new ATOM 0 HA ASP A 63 -10.134 5.700 9.183 1.00 0.43 H new ATOM 0 HB2 ASP A 63 -12.578 5.666 8.743 1.00 0.56 H new ATOM 0 HB3 ASP A 63 -12.828 4.681 10.170 1.00 0.56 H new ATOM 1655 N SER A 64 -8.858 4.652 11.080 1.00 0.37 N ATOM 1656 CA SER A 64 -8.143 4.259 12.281 1.00 0.41 C ATOM 1657 C SER A 64 -8.143 5.399 13.292 1.00 0.52 C ATOM 1658 O SER A 64 -8.053 5.182 14.504 1.00 0.64 O ATOM 1659 CB SER A 64 -6.705 3.864 11.919 1.00 0.45 C ATOM 1660 OG SER A 64 -5.901 5.005 11.664 1.00 0.58 O ATOM 0 H SER A 64 -8.255 4.964 10.319 1.00 0.37 H new ATOM 0 HA SER A 64 -8.644 3.402 12.731 1.00 0.41 H new ATOM 0 HB2 SER A 64 -6.269 3.285 12.734 1.00 0.45 H new ATOM 0 HB3 SER A 64 -6.714 3.220 11.040 1.00 0.45 H new ATOM 0 HG SER A 64 -6.465 5.735 11.332 1.00 0.58 H new ATOM 1666 N ASN A 65 -8.253 6.616 12.779 1.00 0.60 N ATOM 1667 CA ASN A 65 -8.280 7.810 13.612 1.00 0.83 C ATOM 1668 C ASN A 65 -9.695 8.059 14.127 1.00 0.89 C ATOM 1669 O ASN A 65 -9.908 8.874 15.025 1.00 1.10 O ATOM 1670 CB ASN A 65 -7.776 9.022 12.820 1.00 0.95 C ATOM 1671 CG ASN A 65 -8.768 9.498 11.779 1.00 0.99 C ATOM 1672 OD1 ASN A 65 -9.548 10.412 12.028 1.00 1.52 O ATOM 1673 ND2 ASN A 65 -8.756 8.877 10.612 1.00 1.44 N ATOM 0 H ASN A 65 -8.326 6.803 11.779 1.00 0.60 H new ATOM 0 HA ASN A 65 -7.621 7.658 14.466 1.00 0.83 H new ATOM 0 HB2 ASN A 65 -7.562 9.838 13.511 1.00 0.95 H new ATOM 0 HB3 ASN A 65 -6.837 8.765 12.330 1.00 0.95 H new ATOM 0 HD21 ASN A 65 -9.411 9.153 9.880 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -8.092 8.121 10.443 1.00 1.44 H new ATOM 1680 N ARG A 66 -10.652 7.344 13.538 1.00 0.79 N ATOM 1681 CA ARG A 66 -12.055 7.380 13.956 1.00 0.98 C ATOM 1682 C ARG A 66 -12.668 8.766 13.745 1.00 1.05 C ATOM 1683 O ARG A 66 -13.039 9.450 14.703 1.00 1.34 O ATOM 1684 CB ARG A 66 -12.207 6.944 15.422 1.00 1.26 C ATOM 1685 CG ARG A 66 -11.528 5.619 15.749 1.00 1.46 C ATOM 1686 CD ARG A 66 -12.069 4.469 14.910 1.00 1.25 C ATOM 1687 NE ARG A 66 -13.480 4.198 15.180 1.00 1.91 N ATOM 1688 CZ ARG A 66 -14.007 2.972 15.247 1.00 2.60 C ATOM 1689 NH1 ARG A 66 -13.236 1.903 15.086 1.00 2.85 N ATOM 1690 NH2 ARG A 66 -15.305 2.815 15.478 1.00 3.45 N ATOM 0 H ARG A 66 -10.476 6.719 12.752 1.00 0.79 H new ATOM 0 HA ARG A 66 -12.598 6.673 13.328 1.00 0.98 H new ATOM 0 HB2 ARG A 66 -11.794 7.721 16.066 1.00 1.26 H new ATOM 0 HB3 ARG A 66 -13.268 6.865 15.658 1.00 1.26 H new ATOM 0 HG2 ARG A 66 -10.455 5.713 15.583 1.00 1.46 H new ATOM 0 HG3 ARG A 66 -11.669 5.392 16.806 1.00 1.46 H new ATOM 0 HD2 ARG A 66 -11.943 4.703 13.853 1.00 1.25 H new ATOM 0 HD3 ARG A 66 -11.485 3.571 15.110 1.00 1.25 H new ATOM 0 HE ARG A 66 -14.101 4.994 15.326 1.00 1.91 H new ATOM 0 HH11 ARG A 66 -12.238 2.016 14.910 1.00 2.85 H new ATOM 0 HH12 ARG A 66 -13.642 0.969 15.138 1.00 2.85 H new ATOM 0 HH21 ARG A 66 -15.903 3.632 15.605 1.00 3.45 H new ATOM 0 HH22 ARG A 66 -15.704 1.878 15.529 1.00 3.45 H new ATOM 1704 N ASP A 67 -12.742 9.191 12.488 1.00 0.86 N ATOM 1705 CA ASP A 67 -13.380 10.459 12.140 1.00 1.00 C ATOM 1706 C ASP A 67 -14.358 10.286 10.970 1.00 0.88 C ATOM 1707 O ASP A 67 -15.039 11.233 10.575 1.00 0.94 O ATOM 1708 CB ASP A 67 -12.319 11.506 11.799 1.00 1.13 C ATOM 1709 CG ASP A 67 -12.887 12.903 11.677 1.00 1.57 C ATOM 1710 OD1 ASP A 67 -13.479 13.399 12.663 1.00 2.02 O ATOM 1711 OD2 ASP A 67 -12.721 13.528 10.613 1.00 2.08 O ATOM 0 H ASP A 67 -12.368 8.676 11.691 1.00 0.86 H new ATOM 0 HA ASP A 67 -13.950 10.801 13.004 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -11.548 11.499 12.570 1.00 1.13 H new ATOM 0 HB3 ASP A 67 -11.835 11.233 10.861 1.00 1.13 H new ATOM 1716 N ASN A 68 -14.421 9.065 10.427 1.00 0.77 N ATOM 1717 CA ASN A 68 -15.271 8.743 9.263 1.00 0.74 C ATOM 1718 C ASN A 68 -14.781 9.450 8.003 1.00 0.65 C ATOM 1719 O ASN A 68 -15.515 9.589 7.024 1.00 0.66 O ATOM 1720 CB ASN A 68 -16.743 9.100 9.505 1.00 0.92 C ATOM 1721 CG ASN A 68 -17.461 8.122 10.410 1.00 1.13 C ATOM 1722 OD1 ASN A 68 -16.704 7.429 11.221 1.00 1.54 O flip ATOM 1723 ND2 ASN A 68 -18.683 7.979 10.352 1.00 1.75 N flip ATOM 0 H ASN A 68 -13.887 8.270 10.778 1.00 0.77 H new ATOM 0 HA ASN A 68 -15.197 7.665 9.121 1.00 0.74 H new ATOM 0 HB2 ASN A 68 -16.800 10.097 9.943 1.00 0.92 H new ATOM 0 HB3 ASN A 68 -17.260 9.143 8.547 1.00 0.92 H new ATOM 0 HD21 ASN A 68 -19.232 8.543 9.703 1.00 1.75 H new ATOM 0 HD22 ASN A 68 -19.146 7.297 10.953 1.00 1.75 H new ATOM 1730 N GLU A 69 -13.536 9.882 8.034 1.00 0.64 N ATOM 1731 CA GLU A 69 -12.913 10.525 6.891 1.00 0.63 C ATOM 1732 C GLU A 69 -11.531 9.946 6.681 1.00 0.54 C ATOM 1733 O GLU A 69 -10.623 10.175 7.486 1.00 0.65 O ATOM 1734 CB GLU A 69 -12.822 12.037 7.089 1.00 0.82 C ATOM 1735 CG GLU A 69 -14.162 12.745 7.017 1.00 0.95 C ATOM 1736 CD GLU A 69 -14.024 14.247 7.106 1.00 1.13 C ATOM 1737 OE1 GLU A 69 -13.039 14.788 6.562 1.00 1.59 O ATOM 1738 OE2 GLU A 69 -14.892 14.897 7.722 1.00 1.65 O ATOM 0 H GLU A 69 -12.928 9.798 8.849 1.00 0.64 H new ATOM 0 HA GLU A 69 -13.528 10.339 6.011 1.00 0.63 H new ATOM 0 HB2 GLU A 69 -12.366 12.241 8.058 1.00 0.82 H new ATOM 0 HB3 GLU A 69 -12.160 12.454 6.331 1.00 0.82 H new ATOM 0 HG2 GLU A 69 -14.659 12.483 6.083 1.00 0.95 H new ATOM 0 HG3 GLU A 69 -14.800 12.393 7.827 1.00 0.95 H new ATOM 1745 N VAL A 70 -11.376 9.183 5.614 1.00 0.40 N ATOM 1746 CA VAL A 70 -10.108 8.547 5.330 1.00 0.31 C ATOM 1747 C VAL A 70 -9.096 9.561 4.840 1.00 0.33 C ATOM 1748 O VAL A 70 -9.164 10.042 3.705 1.00 0.39 O ATOM 1749 CB VAL A 70 -10.251 7.406 4.304 1.00 0.28 C ATOM 1750 CG1 VAL A 70 -8.894 6.865 3.881 1.00 0.32 C ATOM 1751 CG2 VAL A 70 -11.097 6.291 4.884 1.00 0.29 C ATOM 0 H VAL A 70 -12.111 8.991 4.934 1.00 0.40 H new ATOM 0 HA VAL A 70 -9.753 8.112 6.265 1.00 0.31 H new ATOM 0 HB VAL A 70 -10.741 7.810 3.418 1.00 0.28 H new ATOM 0 HG11 VAL A 70 -9.032 6.062 3.157 1.00 0.32 H new ATOM 0 HG12 VAL A 70 -8.308 7.665 3.428 1.00 0.32 H new ATOM 0 HG13 VAL A 70 -8.368 6.480 4.754 1.00 0.32 H new ATOM 0 HG21 VAL A 70 -11.193 5.489 4.152 1.00 0.29 H new ATOM 0 HG22 VAL A 70 -10.622 5.905 5.786 1.00 0.29 H new ATOM 0 HG23 VAL A 70 -12.086 6.676 5.132 1.00 0.29 H new ATOM 1761 N ASP A 71 -8.199 9.920 5.740 1.00 0.36 N ATOM 1762 CA ASP A 71 -7.025 10.694 5.397 1.00 0.40 C ATOM 1763 C ASP A 71 -6.111 9.819 4.555 1.00 0.32 C ATOM 1764 O ASP A 71 -6.295 8.604 4.516 1.00 0.29 O ATOM 1765 CB ASP A 71 -6.313 11.137 6.680 1.00 0.49 C ATOM 1766 CG ASP A 71 -5.110 12.016 6.420 1.00 0.61 C ATOM 1767 OD1 ASP A 71 -4.011 11.474 6.200 1.00 1.22 O ATOM 1768 OD2 ASP A 71 -5.263 13.249 6.444 1.00 1.32 O ATOM 0 H ASP A 71 -8.266 9.682 6.730 1.00 0.36 H new ATOM 0 HA ASP A 71 -7.301 11.585 4.833 1.00 0.40 H new ATOM 0 HB2 ASP A 71 -7.019 11.676 7.312 1.00 0.49 H new ATOM 0 HB3 ASP A 71 -5.997 10.254 7.236 1.00 0.49 H new ATOM 1773 N PHE A 72 -5.126 10.404 3.896 1.00 0.36 N ATOM 1774 CA PHE A 72 -4.217 9.622 3.078 1.00 0.36 C ATOM 1775 C PHE A 72 -3.475 8.595 3.931 1.00 0.30 C ATOM 1776 O PHE A 72 -3.042 7.552 3.437 1.00 0.39 O ATOM 1777 CB PHE A 72 -3.224 10.516 2.347 1.00 0.51 C ATOM 1778 CG PHE A 72 -2.476 9.772 1.290 1.00 0.58 C ATOM 1779 CD1 PHE A 72 -3.139 8.855 0.493 1.00 1.38 C ATOM 1780 CD2 PHE A 72 -1.126 9.974 1.091 1.00 1.26 C ATOM 1781 CE1 PHE A 72 -2.476 8.149 -0.478 1.00 1.46 C ATOM 1782 CE2 PHE A 72 -0.453 9.271 0.122 1.00 1.29 C ATOM 1783 CZ PHE A 72 -1.123 8.355 -0.661 1.00 0.78 C ATOM 0 H PHE A 72 -4.937 11.406 3.911 1.00 0.36 H new ATOM 0 HA PHE A 72 -4.812 9.095 2.332 1.00 0.36 H new ATOM 0 HB2 PHE A 72 -3.755 11.354 1.894 1.00 0.51 H new ATOM 0 HB3 PHE A 72 -2.518 10.936 3.064 1.00 0.51 H new ATOM 0 HD1 PHE A 72 -4.197 8.693 0.638 1.00 1.38 H new ATOM 0 HD2 PHE A 72 -0.595 10.690 1.701 1.00 1.26 H new ATOM 0 HE1 PHE A 72 -3.007 7.438 -1.094 1.00 1.46 H new ATOM 0 HE2 PHE A 72 0.604 9.436 -0.027 1.00 1.29 H new ATOM 0 HZ PHE A 72 -0.590 7.799 -1.417 1.00 0.78 H new ATOM 1793 N GLN A 73 -3.353 8.887 5.218 1.00 0.30 N ATOM 1794 CA GLN A 73 -2.744 7.953 6.155 1.00 0.41 C ATOM 1795 C GLN A 73 -3.590 6.687 6.247 1.00 0.38 C ATOM 1796 O GLN A 73 -3.068 5.580 6.266 1.00 0.44 O ATOM 1797 CB GLN A 73 -2.599 8.571 7.552 1.00 0.61 C ATOM 1798 CG GLN A 73 -1.852 9.897 7.590 1.00 0.85 C ATOM 1799 CD GLN A 73 -0.521 9.853 6.871 1.00 0.83 C ATOM 1800 OE1 GLN A 73 0.512 9.522 7.456 1.00 1.20 O ATOM 1801 NE2 GLN A 73 -0.529 10.210 5.597 1.00 1.48 N ATOM 0 H GLN A 73 -3.667 9.762 5.637 1.00 0.30 H new ATOM 0 HA GLN A 73 -1.748 7.710 5.784 1.00 0.41 H new ATOM 0 HB2 GLN A 73 -3.593 8.718 7.974 1.00 0.61 H new ATOM 0 HB3 GLN A 73 -2.082 7.860 8.196 1.00 0.61 H new ATOM 0 HG2 GLN A 73 -2.475 10.670 7.141 1.00 0.85 H new ATOM 0 HG3 GLN A 73 -1.687 10.184 8.629 1.00 0.85 H new ATOM 0 HE21 GLN A 73 -1.405 10.478 5.148 1.00 1.48 H new ATOM 0 HE22 GLN A 73 0.341 10.218 5.064 1.00 1.48 H new ATOM 1810 N GLU A 74 -4.909 6.858 6.264 1.00 0.34 N ATOM 1811 CA GLU A 74 -5.821 5.728 6.395 1.00 0.37 C ATOM 1812 C GLU A 74 -6.006 5.072 5.031 1.00 0.32 C ATOM 1813 O GLU A 74 -6.548 3.976 4.909 1.00 0.36 O ATOM 1814 CB GLU A 74 -7.183 6.197 6.922 1.00 0.44 C ATOM 1815 CG GLU A 74 -7.118 7.387 7.869 1.00 0.52 C ATOM 1816 CD GLU A 74 -6.458 7.082 9.193 1.00 0.58 C ATOM 1817 OE1 GLU A 74 -7.165 6.646 10.120 1.00 1.29 O ATOM 1818 OE2 GLU A 74 -5.240 7.316 9.324 1.00 1.16 O ATOM 0 H GLU A 74 -5.368 7.766 6.189 1.00 0.34 H new ATOM 0 HA GLU A 74 -5.399 5.012 7.100 1.00 0.37 H new ATOM 0 HB2 GLU A 74 -7.816 6.458 6.074 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -7.665 5.366 7.436 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -6.575 8.197 7.382 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.130 7.747 8.053 1.00 0.52 H new ATOM 1825 N TYR A 75 -5.538 5.766 4.005 1.00 0.26 N ATOM 1826 CA TYR A 75 -5.726 5.336 2.633 1.00 0.25 C ATOM 1827 C TYR A 75 -4.590 4.413 2.187 1.00 0.24 C ATOM 1828 O TYR A 75 -4.808 3.486 1.409 1.00 0.28 O ATOM 1829 CB TYR A 75 -5.821 6.566 1.726 1.00 0.25 C ATOM 1830 CG TYR A 75 -6.250 6.263 0.311 1.00 0.26 C ATOM 1831 CD1 TYR A 75 -5.359 5.709 -0.599 1.00 1.27 C ATOM 1832 CD2 TYR A 75 -7.545 6.533 -0.113 1.00 1.17 C ATOM 1833 CE1 TYR A 75 -5.742 5.431 -1.897 1.00 1.30 C ATOM 1834 CE2 TYR A 75 -7.934 6.257 -1.412 1.00 1.17 C ATOM 1835 CZ TYR A 75 -7.025 5.706 -2.297 1.00 0.38 C ATOM 1836 OH TYR A 75 -7.400 5.433 -3.591 1.00 0.47 O ATOM 0 H TYR A 75 -5.020 6.639 4.102 1.00 0.26 H new ATOM 0 HA TYR A 75 -6.653 4.767 2.562 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.527 7.272 2.164 1.00 0.25 H new ATOM 0 HB3 TYR A 75 -4.850 7.060 1.701 1.00 0.25 H new ATOM 0 HD1 TYR A 75 -4.348 5.492 -0.286 1.00 1.27 H new ATOM 0 HD2 TYR A 75 -8.255 6.963 0.578 1.00 1.17 H new ATOM 0 HE1 TYR A 75 -5.036 5.000 -2.592 1.00 1.30 H new ATOM 0 HE2 TYR A 75 -8.943 6.471 -1.733 1.00 1.17 H new ATOM 0 HH TYR A 75 -6.601 5.284 -4.139 1.00 0.47 H new ATOM 1846 N CYS A 76 -3.379 4.661 2.680 1.00 0.22 N ATOM 1847 CA CYS A 76 -2.243 3.809 2.340 1.00 0.21 C ATOM 1848 C CYS A 76 -2.492 2.391 2.824 1.00 0.15 C ATOM 1849 O CYS A 76 -2.247 1.415 2.110 1.00 0.17 O ATOM 1850 CB CYS A 76 -0.947 4.341 2.962 1.00 0.27 C ATOM 1851 SG CYS A 76 -0.903 4.306 4.766 1.00 1.65 S ATOM 0 H CYS A 76 -3.161 5.434 3.308 1.00 0.22 H new ATOM 0 HA CYS A 76 -2.134 3.812 1.255 1.00 0.21 H new ATOM 0 HB2 CYS A 76 -0.111 3.755 2.581 1.00 0.27 H new ATOM 0 HB3 CYS A 76 -0.795 5.368 2.629 1.00 0.27 H new ATOM 0 HG CYS A 76 -1.987 4.848 5.237 1.00 1.65 H new ATOM 1857 N VAL A 77 -3.007 2.298 4.036 1.00 0.16 N ATOM 1858 CA VAL A 77 -3.256 1.020 4.663 1.00 0.17 C ATOM 1859 C VAL A 77 -4.453 0.332 4.038 1.00 0.17 C ATOM 1860 O VAL A 77 -4.599 -0.878 4.151 1.00 0.19 O ATOM 1861 CB VAL A 77 -3.458 1.182 6.174 1.00 0.20 C ATOM 1862 CG1 VAL A 77 -2.213 1.787 6.784 1.00 0.23 C ATOM 1863 CG2 VAL A 77 -4.674 2.041 6.487 1.00 0.19 C ATOM 0 H VAL A 77 -3.262 3.103 4.608 1.00 0.16 H new ATOM 0 HA VAL A 77 -2.379 0.393 4.500 1.00 0.17 H new ATOM 0 HB VAL A 77 -3.636 0.197 6.606 1.00 0.20 H new ATOM 0 HG11 VAL A 77 -2.354 1.903 7.859 1.00 0.23 H new ATOM 0 HG12 VAL A 77 -1.362 1.132 6.598 1.00 0.23 H new ATOM 0 HG13 VAL A 77 -2.025 2.762 6.335 1.00 0.23 H new ATOM 0 HG21 VAL A 77 -4.786 2.134 7.567 1.00 0.19 H new ATOM 0 HG22 VAL A 77 -4.543 3.031 6.049 1.00 0.19 H new ATOM 0 HG23 VAL A 77 -5.566 1.575 6.069 1.00 0.19 H new ATOM 1873 N PHE A 78 -5.301 1.110 3.372 1.00 0.20 N ATOM 1874 CA PHE A 78 -6.383 0.554 2.594 1.00 0.22 C ATOM 1875 C PHE A 78 -5.811 -0.444 1.612 1.00 0.19 C ATOM 1876 O PHE A 78 -6.028 -1.640 1.736 1.00 0.18 O ATOM 1877 CB PHE A 78 -7.131 1.680 1.858 1.00 0.30 C ATOM 1878 CG PHE A 78 -8.208 1.234 0.922 1.00 0.22 C ATOM 1879 CD1 PHE A 78 -9.204 0.358 1.316 1.00 1.19 C ATOM 1880 CD2 PHE A 78 -8.219 1.723 -0.369 1.00 1.21 C ATOM 1881 CE1 PHE A 78 -10.194 -0.020 0.431 1.00 1.21 C ATOM 1882 CE2 PHE A 78 -9.194 1.347 -1.257 1.00 1.20 C ATOM 1883 CZ PHE A 78 -10.186 0.475 -0.858 1.00 0.22 C ATOM 0 H PHE A 78 -5.252 2.129 3.361 1.00 0.20 H new ATOM 0 HA PHE A 78 -7.094 0.048 3.247 1.00 0.22 H new ATOM 0 HB2 PHE A 78 -7.572 2.345 2.601 1.00 0.30 H new ATOM 0 HB3 PHE A 78 -6.405 2.267 1.295 1.00 0.30 H new ATOM 0 HD1 PHE A 78 -9.207 -0.033 2.323 1.00 1.19 H new ATOM 0 HD2 PHE A 78 -7.449 2.411 -0.684 1.00 1.21 H new ATOM 0 HE1 PHE A 78 -10.972 -0.700 0.746 1.00 1.21 H new ATOM 0 HE2 PHE A 78 -9.185 1.732 -2.266 1.00 1.20 H new ATOM 0 HZ PHE A 78 -10.957 0.179 -1.554 1.00 0.22 H new ATOM 1893 N LEU A 79 -4.996 0.055 0.707 1.00 0.20 N ATOM 1894 CA LEU A 79 -4.518 -0.733 -0.408 1.00 0.19 C ATOM 1895 C LEU A 79 -3.515 -1.794 -0.007 1.00 0.16 C ATOM 1896 O LEU A 79 -3.650 -2.949 -0.384 1.00 0.18 O ATOM 1897 CB LEU A 79 -3.932 0.185 -1.462 1.00 0.22 C ATOM 1898 CG LEU A 79 -4.976 1.064 -2.120 1.00 0.15 C ATOM 1899 CD1 LEU A 79 -4.388 1.813 -3.300 1.00 0.16 C ATOM 1900 CD2 LEU A 79 -6.156 0.206 -2.533 1.00 0.16 C ATOM 0 H LEU A 79 -4.648 1.014 0.723 1.00 0.20 H new ATOM 0 HA LEU A 79 -5.376 -1.270 -0.814 1.00 0.19 H new ATOM 0 HB2 LEU A 79 -3.169 0.815 -1.005 1.00 0.22 H new ATOM 0 HB3 LEU A 79 -3.436 -0.415 -2.225 1.00 0.22 H new ATOM 0 HG LEU A 79 -5.320 1.816 -1.410 1.00 0.15 H new ATOM 0 HD11 LEU A 79 -5.157 2.437 -3.755 1.00 0.16 H new ATOM 0 HD12 LEU A 79 -3.566 2.442 -2.959 1.00 0.16 H new ATOM 0 HD13 LEU A 79 -4.017 1.099 -4.036 1.00 0.16 H new ATOM 0 HD21 LEU A 79 -6.912 0.831 -3.008 1.00 0.16 H new ATOM 0 HD22 LEU A 79 -5.823 -0.557 -3.236 1.00 0.16 H new ATOM 0 HD23 LEU A 79 -6.583 -0.274 -1.652 1.00 0.16 H new ATOM 1912 N SER A 80 -2.522 -1.428 0.763 1.00 0.15 N ATOM 1913 CA SER A 80 -1.483 -2.376 1.107 1.00 0.15 C ATOM 1914 C SER A 80 -2.066 -3.566 1.864 1.00 0.15 C ATOM 1915 O SER A 80 -1.568 -4.683 1.777 1.00 0.18 O ATOM 1916 CB SER A 80 -0.405 -1.682 1.907 1.00 0.17 C ATOM 1917 OG SER A 80 0.214 -0.676 1.130 1.00 0.23 O ATOM 0 H SER A 80 -2.407 -0.496 1.161 1.00 0.15 H new ATOM 0 HA SER A 80 -1.035 -2.764 0.192 1.00 0.15 H new ATOM 0 HB2 SER A 80 -0.837 -1.242 2.806 1.00 0.17 H new ATOM 0 HB3 SER A 80 0.339 -2.408 2.233 1.00 0.17 H new ATOM 0 HG SER A 80 1.187 -0.781 1.174 1.00 0.23 H new ATOM 1923 N CYS A 81 -3.141 -3.324 2.586 1.00 0.14 N ATOM 1924 CA CYS A 81 -3.830 -4.393 3.271 1.00 0.15 C ATOM 1925 C CYS A 81 -4.764 -5.148 2.330 1.00 0.14 C ATOM 1926 O CYS A 81 -5.150 -6.282 2.610 1.00 0.16 O ATOM 1927 CB CYS A 81 -4.561 -3.839 4.476 1.00 0.17 C ATOM 1928 SG CYS A 81 -3.431 -3.231 5.745 1.00 0.22 S ATOM 0 H CYS A 81 -3.553 -2.400 2.712 1.00 0.14 H new ATOM 0 HA CYS A 81 -3.096 -5.119 3.622 1.00 0.15 H new ATOM 0 HB2 CYS A 81 -5.217 -3.028 4.159 1.00 0.17 H new ATOM 0 HB3 CYS A 81 -5.197 -4.616 4.901 1.00 0.17 H new ATOM 0 HG CYS A 81 -2.458 -2.578 5.183 1.00 0.22 H new ATOM 1934 N ILE A 82 -5.106 -4.541 1.195 1.00 0.13 N ATOM 1935 CA ILE A 82 -5.883 -5.250 0.188 1.00 0.14 C ATOM 1936 C ILE A 82 -4.941 -6.104 -0.646 1.00 0.17 C ATOM 1937 O ILE A 82 -5.377 -7.015 -1.319 1.00 0.21 O ATOM 1938 CB ILE A 82 -6.707 -4.339 -0.754 1.00 0.15 C ATOM 1939 CG1 ILE A 82 -7.468 -3.282 0.025 1.00 0.15 C ATOM 1940 CG2 ILE A 82 -7.712 -5.171 -1.541 1.00 0.16 C ATOM 1941 CD1 ILE A 82 -8.324 -2.402 -0.853 1.00 0.18 C ATOM 0 H ILE A 82 -4.862 -3.580 0.955 1.00 0.13 H new ATOM 0 HA ILE A 82 -6.610 -5.852 0.733 1.00 0.14 H new ATOM 0 HB ILE A 82 -6.005 -3.850 -1.430 1.00 0.15 H new ATOM 0 HG12 ILE A 82 -8.100 -3.770 0.766 1.00 0.15 H new ATOM 0 HG13 ILE A 82 -6.758 -2.660 0.571 1.00 0.15 H new ATOM 0 HG21 ILE A 82 -8.286 -4.520 -2.200 1.00 0.16 H new ATOM 0 HG22 ILE A 82 -7.182 -5.914 -2.136 1.00 0.16 H new ATOM 0 HG23 ILE A 82 -8.388 -5.675 -0.850 1.00 0.16 H new ATOM 0 HD11 ILE A 82 -8.842 -1.667 -0.237 1.00 0.18 H new ATOM 0 HD12 ILE A 82 -7.693 -1.888 -1.578 1.00 0.18 H new ATOM 0 HD13 ILE A 82 -9.056 -3.015 -1.379 1.00 0.18 H new ATOM 1953 N ALA A 83 -3.643 -5.788 -0.633 1.00 0.18 N ATOM 1954 CA ALA A 83 -2.646 -6.722 -1.136 1.00 0.23 C ATOM 1955 C ALA A 83 -2.708 -8.024 -0.361 1.00 0.20 C ATOM 1956 O ALA A 83 -2.896 -9.096 -0.933 1.00 0.21 O ATOM 1957 CB ALA A 83 -1.267 -6.137 -0.997 1.00 0.30 C ATOM 0 H ALA A 83 -3.267 -4.906 -0.285 1.00 0.18 H new ATOM 0 HA ALA A 83 -2.858 -6.913 -2.188 1.00 0.23 H new ATOM 0 HB1 ALA A 83 -0.531 -6.846 -1.377 1.00 0.30 H new ATOM 0 HB2 ALA A 83 -1.206 -5.210 -1.567 1.00 0.30 H new ATOM 0 HB3 ALA A 83 -1.063 -5.931 0.054 1.00 0.30 H new ATOM 1963 N MET A 84 -2.549 -7.915 0.952 1.00 0.22 N ATOM 1964 CA MET A 84 -2.651 -9.072 1.833 1.00 0.25 C ATOM 1965 C MET A 84 -3.999 -9.749 1.663 1.00 0.24 C ATOM 1966 O MET A 84 -4.106 -10.974 1.711 1.00 0.28 O ATOM 1967 CB MET A 84 -2.468 -8.663 3.294 1.00 0.30 C ATOM 1968 CG MET A 84 -1.045 -8.287 3.652 1.00 0.34 C ATOM 1969 SD MET A 84 -0.897 -7.791 5.373 1.00 0.36 S ATOM 1970 CE MET A 84 -1.883 -6.298 5.364 1.00 0.20 C ATOM 0 H MET A 84 -2.349 -7.037 1.431 1.00 0.22 H new ATOM 0 HA MET A 84 -1.859 -9.770 1.561 1.00 0.25 H new ATOM 0 HB2 MET A 84 -3.122 -7.818 3.509 1.00 0.30 H new ATOM 0 HB3 MET A 84 -2.788 -9.485 3.934 1.00 0.30 H new ATOM 0 HG2 MET A 84 -0.386 -9.134 3.460 1.00 0.34 H new ATOM 0 HG3 MET A 84 -0.712 -7.472 3.009 1.00 0.34 H new ATOM 0 HE1 MET A 84 -1.836 -5.825 6.345 1.00 0.20 H new ATOM 0 HE2 MET A 84 -1.496 -5.611 4.611 1.00 0.20 H new ATOM 0 HE3 MET A 84 -2.918 -6.547 5.131 1.00 0.20 H new ATOM 1980 N MET A 85 -5.026 -8.942 1.460 1.00 0.25 N ATOM 1981 CA MET A 85 -6.362 -9.454 1.250 1.00 0.36 C ATOM 1982 C MET A 85 -6.499 -10.056 -0.156 1.00 0.33 C ATOM 1983 O MET A 85 -7.237 -11.014 -0.360 1.00 0.43 O ATOM 1984 CB MET A 85 -7.391 -8.344 1.480 1.00 0.62 C ATOM 1985 CG MET A 85 -8.821 -8.848 1.458 1.00 0.77 C ATOM 1986 SD MET A 85 -9.639 -8.512 -0.107 1.00 0.67 S ATOM 1987 CE MET A 85 -10.281 -6.876 0.229 1.00 0.30 C ATOM 0 H MET A 85 -4.956 -7.925 1.437 1.00 0.25 H new ATOM 0 HA MET A 85 -6.551 -10.251 1.969 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.194 -7.867 2.440 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.269 -7.579 0.713 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.828 -9.922 1.646 1.00 0.77 H new ATOM 0 HG3 MET A 85 -9.382 -8.379 2.267 1.00 0.77 H new ATOM 0 HE1 MET A 85 -10.698 -6.454 -0.685 1.00 0.30 H new ATOM 0 HE2 MET A 85 -11.061 -6.940 0.987 1.00 0.30 H new ATOM 0 HE3 MET A 85 -9.476 -6.236 0.590 1.00 0.30 H new ATOM 1997 N CYS A 86 -5.763 -9.498 -1.118 1.00 0.32 N ATOM 1998 CA CYS A 86 -5.733 -10.020 -2.481 1.00 0.43 C ATOM 1999 C CYS A 86 -5.048 -11.380 -2.525 1.00 0.43 C ATOM 2000 O CYS A 86 -5.170 -12.105 -3.503 1.00 0.58 O ATOM 2001 CB CYS A 86 -5.019 -9.041 -3.422 1.00 0.49 C ATOM 2002 SG CYS A 86 -5.021 -9.537 -5.160 1.00 0.57 S ATOM 0 H CYS A 86 -5.175 -8.677 -0.974 1.00 0.32 H new ATOM 0 HA CYS A 86 -6.763 -10.139 -2.817 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -5.492 -8.063 -3.336 1.00 0.49 H new ATOM 0 HB3 CYS A 86 -3.987 -8.926 -3.091 1.00 0.49 H new ATOM 0 HG CYS A 86 -5.082 -10.833 -5.241 1.00 0.57 H new ATOM 2008 N ASN A 87 -4.304 -11.713 -1.478 1.00 0.36 N ATOM 2009 CA ASN A 87 -3.755 -13.056 -1.344 1.00 0.44 C ATOM 2010 C ASN A 87 -4.889 -14.031 -1.049 1.00 0.47 C ATOM 2011 O ASN A 87 -4.924 -15.146 -1.565 1.00 0.54 O ATOM 2012 CB ASN A 87 -2.709 -13.114 -0.230 1.00 0.54 C ATOM 2013 CG ASN A 87 -2.146 -14.511 -0.026 1.00 0.72 C ATOM 2014 OD1 ASN A 87 -1.171 -14.899 -0.673 1.00 1.43 O ATOM 2015 ND2 ASN A 87 -2.743 -15.271 0.882 1.00 1.23 N ATOM 0 H ASN A 87 -4.068 -11.078 -0.715 1.00 0.36 H new ATOM 0 HA ASN A 87 -3.264 -13.331 -2.278 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -1.894 -12.429 -0.466 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -3.157 -12.768 0.701 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -2.397 -16.213 1.066 1.00 1.23 H new ATOM 0 HD22 ASN A 87 -3.548 -14.914 1.397 1.00 1.23 H new ATOM 2022 N GLU A 88 -5.828 -13.582 -0.231 1.00 0.56 N ATOM 2023 CA GLU A 88 -7.006 -14.371 0.095 1.00 0.70 C ATOM 2024 C GLU A 88 -7.923 -14.421 -1.122 1.00 0.73 C ATOM 2025 O GLU A 88 -8.502 -15.454 -1.453 1.00 0.82 O ATOM 2026 CB GLU A 88 -7.756 -13.750 1.278 1.00 0.96 C ATOM 2027 CG GLU A 88 -6.861 -13.316 2.432 1.00 1.81 C ATOM 2028 CD GLU A 88 -6.055 -14.451 3.025 1.00 2.18 C ATOM 2029 OE1 GLU A 88 -6.603 -15.192 3.866 1.00 2.78 O ATOM 2030 OE2 GLU A 88 -4.866 -14.600 2.668 1.00 2.60 O ATOM 0 H GLU A 88 -5.796 -12.669 0.222 1.00 0.56 H new ATOM 0 HA GLU A 88 -6.696 -15.379 0.371 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -8.316 -12.885 0.924 1.00 0.96 H new ATOM 0 HB3 GLU A 88 -8.484 -14.471 1.650 1.00 0.96 H new ATOM 0 HG2 GLU A 88 -6.180 -12.540 2.082 1.00 1.81 H new ATOM 0 HG3 GLU A 88 -7.477 -12.871 3.213 1.00 1.81 H new ATOM 2285 N ALA B 2 -3.364 0.066 -17.617 1.00 0.34 N ATOM 2286 CA ALA B 2 -4.148 -0.978 -16.988 1.00 0.30 C ATOM 2287 C ALA B 2 -5.051 -0.343 -15.943 1.00 0.27 C ATOM 2288 O ALA B 2 -4.924 0.852 -15.685 1.00 0.36 O ATOM 2289 CB ALA B 2 -3.235 -2.017 -16.350 1.00 0.30 C ATOM 0 HA ALA B 2 -4.756 -1.486 -17.737 1.00 0.30 H new ATOM 0 HB1 ALA B 2 -3.839 -2.794 -15.882 1.00 0.30 H new ATOM 0 HB2 ALA B 2 -2.600 -2.463 -17.116 1.00 0.30 H new ATOM 0 HB3 ALA B 2 -2.611 -1.539 -15.595 1.00 0.30 H new ATOM 2295 N CYS B 3 -5.972 -1.116 -15.377 1.00 0.25 N ATOM 2296 CA CYS B 3 -6.804 -0.637 -14.281 1.00 0.23 C ATOM 2297 C CYS B 3 -5.904 -0.248 -13.113 1.00 0.17 C ATOM 2298 O CYS B 3 -5.400 -1.112 -12.399 1.00 0.17 O ATOM 2299 CB CYS B 3 -7.798 -1.717 -13.856 1.00 0.28 C ATOM 2300 SG CYS B 3 -8.799 -2.374 -15.210 1.00 0.39 S ATOM 0 H CYS B 3 -6.161 -2.078 -15.660 1.00 0.25 H new ATOM 0 HA CYS B 3 -7.374 0.233 -14.606 1.00 0.23 H new ATOM 0 HB2 CYS B 3 -7.250 -2.537 -13.392 1.00 0.28 H new ATOM 0 HB3 CYS B 3 -8.461 -1.306 -13.095 1.00 0.28 H new ATOM 0 HG CYS B 3 -9.607 -3.283 -14.751 1.00 0.39 H new ATOM 2306 N PRO B 4 -5.695 1.058 -12.920 1.00 0.16 N ATOM 2307 CA PRO B 4 -4.642 1.580 -12.039 1.00 0.13 C ATOM 2308 C PRO B 4 -4.711 1.046 -10.612 1.00 0.12 C ATOM 2309 O PRO B 4 -3.800 0.346 -10.160 1.00 0.12 O ATOM 2310 CB PRO B 4 -4.909 3.086 -12.054 1.00 0.17 C ATOM 2311 CG PRO B 4 -5.580 3.329 -13.353 1.00 0.20 C ATOM 2312 CD PRO B 4 -6.473 2.144 -13.546 1.00 0.20 C ATOM 0 HA PRO B 4 -3.651 1.285 -12.384 1.00 0.13 H new ATOM 0 HB2 PRO B 4 -5.541 3.386 -11.218 1.00 0.17 H new ATOM 0 HB3 PRO B 4 -3.983 3.655 -11.973 1.00 0.17 H new ATOM 0 HG2 PRO B 4 -6.151 4.257 -13.336 1.00 0.20 H new ATOM 0 HG3 PRO B 4 -4.856 3.415 -14.163 1.00 0.20 H new ATOM 0 HD2 PRO B 4 -7.441 2.281 -13.063 1.00 0.20 H new ATOM 0 HD3 PRO B 4 -6.668 1.949 -14.601 1.00 0.20 H new ATOM 2320 N LEU B 5 -5.798 1.348 -9.920 1.00 0.13 N ATOM 2321 CA LEU B 5 -5.954 0.941 -8.532 1.00 0.14 C ATOM 2322 C LEU B 5 -6.063 -0.579 -8.438 1.00 0.16 C ATOM 2323 O LEU B 5 -5.624 -1.180 -7.463 1.00 0.22 O ATOM 2324 CB LEU B 5 -7.193 1.613 -7.933 1.00 0.15 C ATOM 2325 CG LEU B 5 -7.051 2.143 -6.502 1.00 0.16 C ATOM 2326 CD1 LEU B 5 -6.794 1.019 -5.533 1.00 0.18 C ATOM 2327 CD2 LEU B 5 -5.940 3.168 -6.403 1.00 0.17 C ATOM 0 H LEU B 5 -6.586 1.874 -10.297 1.00 0.13 H new ATOM 0 HA LEU B 5 -5.078 1.255 -7.964 1.00 0.14 H new ATOM 0 HB2 LEU B 5 -7.478 2.443 -8.579 1.00 0.15 H new ATOM 0 HB3 LEU B 5 -8.014 0.897 -7.953 1.00 0.15 H new ATOM 0 HG LEU B 5 -7.993 2.625 -6.241 1.00 0.16 H new ATOM 0 HD11 LEU B 5 -6.697 1.423 -4.525 1.00 0.18 H new ATOM 0 HD12 LEU B 5 -7.625 0.315 -5.564 1.00 0.18 H new ATOM 0 HD13 LEU B 5 -5.873 0.505 -5.808 1.00 0.18 H new ATOM 0 HD21 LEU B 5 -5.865 3.525 -5.376 1.00 0.17 H new ATOM 0 HD22 LEU B 5 -4.996 2.711 -6.699 1.00 0.17 H new ATOM 0 HD23 LEU B 5 -6.159 4.007 -7.063 1.00 0.17 H new ATOM 2339 N GLU B 6 -6.618 -1.193 -9.476 1.00 0.16 N ATOM 2340 CA GLU B 6 -6.786 -2.640 -9.509 1.00 0.20 C ATOM 2341 C GLU B 6 -5.432 -3.336 -9.506 1.00 0.18 C ATOM 2342 O GLU B 6 -5.222 -4.305 -8.772 1.00 0.23 O ATOM 2343 CB GLU B 6 -7.604 -3.052 -10.739 1.00 0.29 C ATOM 2344 CG GLU B 6 -7.858 -4.550 -10.861 1.00 0.43 C ATOM 2345 CD GLU B 6 -6.946 -5.226 -11.869 1.00 0.90 C ATOM 2346 OE1 GLU B 6 -7.091 -4.958 -13.079 1.00 1.39 O ATOM 2347 OE2 GLU B 6 -6.096 -6.052 -11.464 1.00 1.79 O ATOM 0 H GLU B 6 -6.960 -0.710 -10.307 1.00 0.16 H new ATOM 0 HA GLU B 6 -7.328 -2.947 -8.615 1.00 0.20 H new ATOM 0 HB2 GLU B 6 -8.563 -2.536 -10.710 1.00 0.29 H new ATOM 0 HB3 GLU B 6 -7.085 -2.711 -11.635 1.00 0.29 H new ATOM 0 HG2 GLU B 6 -7.721 -5.017 -9.885 1.00 0.43 H new ATOM 0 HG3 GLU B 6 -8.896 -4.715 -11.151 1.00 0.43 H new ATOM 2354 N LYS B 7 -4.503 -2.826 -10.311 1.00 0.16 N ATOM 2355 CA LYS B 7 -3.187 -3.430 -10.403 1.00 0.18 C ATOM 2356 C LYS B 7 -2.436 -3.269 -9.094 1.00 0.17 C ATOM 2357 O LYS B 7 -1.688 -4.152 -8.705 1.00 0.19 O ATOM 2358 CB LYS B 7 -2.363 -2.841 -11.562 1.00 0.25 C ATOM 2359 CG LYS B 7 -3.024 -2.955 -12.931 1.00 0.41 C ATOM 2360 CD LYS B 7 -3.795 -4.259 -13.101 1.00 0.90 C ATOM 2361 CE LYS B 7 -2.921 -5.482 -12.887 1.00 0.84 C ATOM 2362 NZ LYS B 7 -3.740 -6.715 -12.752 1.00 1.18 N ATOM 0 H LYS B 7 -4.639 -2.005 -10.901 1.00 0.16 H new ATOM 0 HA LYS B 7 -3.331 -4.491 -10.606 1.00 0.18 H new ATOM 0 HB2 LYS B 7 -2.167 -1.789 -11.354 1.00 0.25 H new ATOM 0 HB3 LYS B 7 -1.397 -3.344 -11.596 1.00 0.25 H new ATOM 0 HG2 LYS B 7 -3.703 -2.114 -13.074 1.00 0.41 H new ATOM 0 HG3 LYS B 7 -2.261 -2.884 -13.706 1.00 0.41 H new ATOM 0 HD2 LYS B 7 -4.625 -4.281 -12.395 1.00 0.90 H new ATOM 0 HD3 LYS B 7 -4.226 -4.295 -14.101 1.00 0.90 H new ATOM 0 HE2 LYS B 7 -2.232 -5.590 -13.725 1.00 0.84 H new ATOM 0 HE3 LYS B 7 -2.315 -5.346 -11.992 1.00 0.84 H new ATOM 0 HZ1 LYS B 7 -3.129 -7.509 -12.473 1.00 1.18 H new ATOM 0 HZ2 LYS B 7 -4.471 -6.569 -12.026 1.00 1.18 H new ATOM 0 HZ3 LYS B 7 -4.194 -6.931 -13.662 1.00 1.18 H new ATOM 2376 N ALA B 8 -2.666 -2.153 -8.414 1.00 0.17 N ATOM 2377 CA ALA B 8 -1.989 -1.854 -7.154 1.00 0.17 C ATOM 2378 C ALA B 8 -1.990 -3.048 -6.200 1.00 0.17 C ATOM 2379 O ALA B 8 -0.942 -3.437 -5.693 1.00 0.22 O ATOM 2380 CB ALA B 8 -2.625 -0.649 -6.479 1.00 0.18 C ATOM 0 H ALA B 8 -3.322 -1.433 -8.716 1.00 0.17 H new ATOM 0 HA ALA B 8 -0.951 -1.626 -7.396 1.00 0.17 H new ATOM 0 HB1 ALA B 8 -2.108 -0.442 -5.542 1.00 0.18 H new ATOM 0 HB2 ALA B 8 -2.549 0.218 -7.135 1.00 0.18 H new ATOM 0 HB3 ALA B 8 -3.675 -0.858 -6.275 1.00 0.18 H new ATOM 2386 N LEU B 9 -3.159 -3.642 -5.970 1.00 0.13 N ATOM 2387 CA LEU B 9 -3.259 -4.773 -5.049 1.00 0.12 C ATOM 2388 C LEU B 9 -2.765 -6.052 -5.713 1.00 0.14 C ATOM 2389 O LEU B 9 -2.068 -6.859 -5.093 1.00 0.18 O ATOM 2390 CB LEU B 9 -4.698 -4.978 -4.541 1.00 0.13 C ATOM 2391 CG LEU B 9 -5.378 -3.747 -3.927 1.00 0.13 C ATOM 2392 CD1 LEU B 9 -4.391 -2.952 -3.105 1.00 0.15 C ATOM 2393 CD2 LEU B 9 -6.012 -2.866 -4.990 1.00 0.13 C ATOM 0 H LEU B 9 -4.040 -3.364 -6.402 1.00 0.13 H new ATOM 0 HA LEU B 9 -2.627 -4.541 -4.191 1.00 0.12 H new ATOM 0 HB2 LEU B 9 -5.309 -5.328 -5.373 1.00 0.13 H new ATOM 0 HB3 LEU B 9 -4.689 -5.773 -3.795 1.00 0.13 H new ATOM 0 HG LEU B 9 -6.175 -4.104 -3.275 1.00 0.13 H new ATOM 0 HD11 LEU B 9 -4.891 -2.083 -2.677 1.00 0.15 H new ATOM 0 HD12 LEU B 9 -3.999 -3.577 -2.302 1.00 0.15 H new ATOM 0 HD13 LEU B 9 -3.570 -2.622 -3.741 1.00 0.15 H new ATOM 0 HD21 LEU B 9 -6.483 -2.005 -4.516 1.00 0.13 H new ATOM 0 HD22 LEU B 9 -5.244 -2.523 -5.684 1.00 0.13 H new ATOM 0 HD23 LEU B 9 -6.764 -3.437 -5.535 1.00 0.13 H new ATOM 2405 N ASP B 10 -3.120 -6.219 -6.982 1.00 0.14 N ATOM 2406 CA ASP B 10 -2.741 -7.402 -7.756 1.00 0.16 C ATOM 2407 C ASP B 10 -1.226 -7.574 -7.820 1.00 0.15 C ATOM 2408 O ASP B 10 -0.697 -8.658 -7.566 1.00 0.19 O ATOM 2409 CB ASP B 10 -3.313 -7.293 -9.174 1.00 0.20 C ATOM 2410 CG ASP B 10 -2.666 -8.248 -10.161 1.00 0.51 C ATOM 2411 OD1 ASP B 10 -2.984 -9.452 -10.132 1.00 1.22 O ATOM 2412 OD2 ASP B 10 -1.862 -7.787 -10.999 1.00 1.19 O ATOM 0 H ASP B 10 -3.677 -5.543 -7.504 1.00 0.14 H new ATOM 0 HA ASP B 10 -3.153 -8.278 -7.255 1.00 0.16 H new ATOM 0 HB2 ASP B 10 -4.385 -7.488 -9.141 1.00 0.20 H new ATOM 0 HB3 ASP B 10 -3.185 -6.271 -9.532 1.00 0.20 H new ATOM 2417 N VAL B 11 -0.534 -6.494 -8.136 1.00 0.15 N ATOM 2418 CA VAL B 11 0.903 -6.544 -8.337 1.00 0.16 C ATOM 2419 C VAL B 11 1.648 -6.716 -7.022 1.00 0.16 C ATOM 2420 O VAL B 11 2.768 -7.219 -7.008 1.00 0.20 O ATOM 2421 CB VAL B 11 1.418 -5.288 -9.058 1.00 0.18 C ATOM 2422 CG1 VAL B 11 0.620 -5.050 -10.331 1.00 0.21 C ATOM 2423 CG2 VAL B 11 1.363 -4.073 -8.144 1.00 0.17 C ATOM 0 H VAL B 11 -0.946 -5.569 -8.259 1.00 0.15 H new ATOM 0 HA VAL B 11 1.097 -7.413 -8.965 1.00 0.16 H new ATOM 0 HB VAL B 11 2.461 -5.449 -9.329 1.00 0.18 H new ATOM 0 HG11 VAL B 11 0.994 -4.158 -10.833 1.00 0.21 H new ATOM 0 HG12 VAL B 11 0.725 -5.910 -10.993 1.00 0.21 H new ATOM 0 HG13 VAL B 11 -0.432 -4.912 -10.081 1.00 0.21 H new ATOM 0 HG21 VAL B 11 1.733 -3.198 -8.679 1.00 0.17 H new ATOM 0 HG22 VAL B 11 0.333 -3.899 -7.832 1.00 0.17 H new ATOM 0 HG23 VAL B 11 1.983 -4.250 -7.265 1.00 0.17 H new ATOM 2433 N MET B 12 1.028 -6.310 -5.914 1.00 0.16 N ATOM 2434 CA MET B 12 1.656 -6.464 -4.607 1.00 0.20 C ATOM 2435 C MET B 12 1.982 -7.920 -4.345 1.00 0.23 C ATOM 2436 O MET B 12 3.061 -8.232 -3.870 1.00 0.39 O ATOM 2437 CB MET B 12 0.776 -5.946 -3.479 1.00 0.27 C ATOM 2438 CG MET B 12 0.643 -4.437 -3.424 1.00 0.16 C ATOM 2439 SD MET B 12 0.581 -3.827 -1.732 1.00 0.78 S ATOM 2440 CE MET B 12 0.109 -2.138 -2.010 1.00 0.19 C ATOM 0 H MET B 12 0.104 -5.878 -5.897 1.00 0.16 H new ATOM 0 HA MET B 12 2.570 -5.871 -4.628 1.00 0.20 H new ATOM 0 HB2 MET B 12 -0.218 -6.382 -3.582 1.00 0.27 H new ATOM 0 HB3 MET B 12 1.181 -6.297 -2.530 1.00 0.27 H new ATOM 0 HG2 MET B 12 1.485 -3.980 -3.944 1.00 0.16 H new ATOM 0 HG3 MET B 12 -0.261 -4.133 -3.952 1.00 0.16 H new ATOM 0 HE1 MET B 12 0.634 -1.493 -1.306 1.00 0.19 H new ATOM 0 HE2 MET B 12 0.369 -1.851 -3.029 1.00 0.19 H new ATOM 0 HE3 MET B 12 -0.966 -2.032 -1.866 1.00 0.19 H new ATOM 2450 N VAL B 13 1.048 -8.809 -4.668 1.00 0.18 N ATOM 2451 CA VAL B 13 1.263 -10.235 -4.461 1.00 0.19 C ATOM 2452 C VAL B 13 1.914 -10.875 -5.688 1.00 0.19 C ATOM 2453 O VAL B 13 2.597 -11.889 -5.576 1.00 0.25 O ATOM 2454 CB VAL B 13 -0.048 -10.980 -4.108 1.00 0.20 C ATOM 2455 CG1 VAL B 13 -0.634 -10.440 -2.815 1.00 0.21 C ATOM 2456 CG2 VAL B 13 -1.066 -10.882 -5.231 1.00 0.22 C ATOM 0 H VAL B 13 0.142 -8.569 -5.071 1.00 0.18 H new ATOM 0 HA VAL B 13 1.938 -10.329 -3.610 1.00 0.19 H new ATOM 0 HB VAL B 13 0.197 -12.033 -3.972 1.00 0.20 H new ATOM 0 HG11 VAL B 13 -1.555 -10.975 -2.582 1.00 0.21 H new ATOM 0 HG12 VAL B 13 0.082 -10.580 -2.005 1.00 0.21 H new ATOM 0 HG13 VAL B 13 -0.850 -9.378 -2.929 1.00 0.21 H new ATOM 0 HG21 VAL B 13 -1.973 -11.416 -4.948 1.00 0.22 H new ATOM 0 HG22 VAL B 13 -1.305 -9.835 -5.415 1.00 0.22 H new ATOM 0 HG23 VAL B 13 -0.652 -11.325 -6.137 1.00 0.22 H new ATOM 2466 N SER B 14 1.719 -10.265 -6.852 1.00 0.18 N ATOM 2467 CA SER B 14 2.316 -10.764 -8.085 1.00 0.21 C ATOM 2468 C SER B 14 3.832 -10.567 -8.062 1.00 0.23 C ATOM 2469 O SER B 14 4.598 -11.529 -8.179 1.00 0.26 O ATOM 2470 CB SER B 14 1.705 -10.053 -9.299 1.00 0.23 C ATOM 2471 OG SER B 14 2.235 -10.552 -10.516 1.00 1.12 O ATOM 0 H SER B 14 1.152 -9.425 -6.967 1.00 0.18 H new ATOM 0 HA SER B 14 2.106 -11.831 -8.164 1.00 0.21 H new ATOM 0 HB2 SER B 14 0.623 -10.184 -9.292 1.00 0.23 H new ATOM 0 HB3 SER B 14 1.897 -8.982 -9.229 1.00 0.23 H new ATOM 0 HG SER B 14 1.824 -10.080 -11.270 1.00 1.12 H new ATOM 2477 N THR B 15 4.256 -9.321 -7.885 1.00 0.24 N ATOM 2478 CA THR B 15 5.669 -8.983 -7.838 1.00 0.26 C ATOM 2479 C THR B 15 6.311 -9.542 -6.565 1.00 0.28 C ATOM 2480 O THR B 15 7.507 -9.843 -6.534 1.00 0.31 O ATOM 2481 CB THR B 15 5.856 -7.455 -7.919 1.00 0.27 C ATOM 2482 OG1 THR B 15 5.119 -6.949 -9.043 1.00 0.33 O ATOM 2483 CG2 THR B 15 7.322 -7.081 -8.068 1.00 0.25 C ATOM 0 H THR B 15 3.632 -8.522 -7.771 1.00 0.24 H new ATOM 0 HA THR B 15 6.165 -9.436 -8.696 1.00 0.26 H new ATOM 0 HB THR B 15 5.487 -7.015 -6.992 1.00 0.27 H new ATOM 0 HG1 THR B 15 5.712 -6.411 -9.608 1.00 0.33 H new ATOM 0 HG21 THR B 15 7.417 -5.997 -8.122 1.00 0.25 H new ATOM 0 HG22 THR B 15 7.881 -7.452 -7.209 1.00 0.25 H new ATOM 0 HG23 THR B 15 7.720 -7.526 -8.980 1.00 0.25 H new ATOM 2491 N PHE B 16 5.481 -9.706 -5.540 1.00 0.30 N ATOM 2492 CA PHE B 16 5.874 -10.344 -4.285 1.00 0.36 C ATOM 2493 C PHE B 16 6.532 -11.691 -4.543 1.00 0.40 C ATOM 2494 O PHE B 16 7.541 -12.024 -3.935 1.00 0.51 O ATOM 2495 CB PHE B 16 4.624 -10.533 -3.422 1.00 0.44 C ATOM 2496 CG PHE B 16 4.840 -11.194 -2.095 1.00 0.34 C ATOM 2497 CD1 PHE B 16 5.422 -10.502 -1.049 1.00 1.21 C ATOM 2498 CD2 PHE B 16 4.432 -12.500 -1.887 1.00 1.27 C ATOM 2499 CE1 PHE B 16 5.600 -11.102 0.180 1.00 1.38 C ATOM 2500 CE2 PHE B 16 4.602 -13.103 -0.660 1.00 1.42 C ATOM 2501 CZ PHE B 16 5.188 -12.403 0.374 1.00 0.97 C ATOM 0 H PHE B 16 4.509 -9.398 -5.555 1.00 0.30 H new ATOM 0 HA PHE B 16 6.597 -9.710 -3.771 1.00 0.36 H new ATOM 0 HB2 PHE B 16 4.173 -9.556 -3.250 1.00 0.44 H new ATOM 0 HB3 PHE B 16 3.902 -11.122 -3.987 1.00 0.44 H new ATOM 0 HD1 PHE B 16 5.741 -9.481 -1.196 1.00 1.21 H new ATOM 0 HD2 PHE B 16 3.976 -13.052 -2.695 1.00 1.27 H new ATOM 0 HE1 PHE B 16 6.061 -10.554 0.988 1.00 1.38 H new ATOM 0 HE2 PHE B 16 4.277 -14.122 -0.508 1.00 1.42 H new ATOM 0 HZ PHE B 16 5.324 -12.874 1.336 1.00 0.97 H new ATOM 2511 N HIS B 17 5.957 -12.451 -5.467 1.00 0.41 N ATOM 2512 CA HIS B 17 6.446 -13.787 -5.791 1.00 0.51 C ATOM 2513 C HIS B 17 7.714 -13.743 -6.642 1.00 0.45 C ATOM 2514 O HIS B 17 8.530 -14.664 -6.597 1.00 0.51 O ATOM 2515 CB HIS B 17 5.367 -14.576 -6.542 1.00 0.68 C ATOM 2516 CG HIS B 17 4.325 -15.198 -5.667 1.00 1.09 C ATOM 2517 ND1 HIS B 17 3.464 -14.653 -4.772 1.00 2.16 N flip ATOM 2518 CD2 HIS B 17 4.057 -16.547 -5.676 1.00 1.26 C flip ATOM 2519 CE1 HIS B 17 2.704 -15.677 -4.264 1.00 2.82 C flip ATOM 2520 NE2 HIS B 17 3.083 -16.807 -4.828 1.00 2.30 N flip ATOM 0 H HIS B 17 5.144 -12.162 -6.010 1.00 0.41 H new ATOM 0 HA HIS B 17 6.685 -14.278 -4.848 1.00 0.51 H new ATOM 0 HB2 HIS B 17 4.876 -13.909 -7.251 1.00 0.68 H new ATOM 0 HB3 HIS B 17 5.849 -15.361 -7.124 1.00 0.68 H new ATOM 0 HD1 HIS B 17 3.394 -13.666 -4.523 1.00 2.16 H new ATOM 0 HD2 HIS B 17 4.566 -17.280 -6.284 1.00 1.26 H new ATOM 0 HE1 HIS B 17 1.924 -15.574 -3.524 1.00 2.82 H new ATOM 2529 N LYS B 18 7.879 -12.668 -7.406 1.00 0.42 N ATOM 2530 CA LYS B 18 8.933 -12.601 -8.417 1.00 0.46 C ATOM 2531 C LYS B 18 10.328 -12.554 -7.800 1.00 0.45 C ATOM 2532 O LYS B 18 11.152 -13.439 -8.030 1.00 0.62 O ATOM 2533 CB LYS B 18 8.762 -11.362 -9.299 1.00 0.55 C ATOM 2534 CG LYS B 18 7.393 -11.214 -9.931 1.00 0.76 C ATOM 2535 CD LYS B 18 7.325 -9.954 -10.774 1.00 0.71 C ATOM 2536 CE LYS B 18 5.904 -9.647 -11.207 1.00 1.40 C ATOM 2537 NZ LYS B 18 5.823 -8.390 -11.994 1.00 1.67 N ATOM 0 H LYS B 18 7.298 -11.832 -7.346 1.00 0.42 H new ATOM 0 HA LYS B 18 8.840 -13.510 -9.011 1.00 0.46 H new ATOM 0 HB2 LYS B 18 8.967 -10.475 -8.699 1.00 0.55 H new ATOM 0 HB3 LYS B 18 9.511 -11.391 -10.091 1.00 0.55 H new ATOM 0 HG2 LYS B 18 7.177 -12.084 -10.551 1.00 0.76 H new ATOM 0 HG3 LYS B 18 6.630 -11.179 -9.154 1.00 0.76 H new ATOM 0 HD2 LYS B 18 7.722 -9.113 -10.205 1.00 0.71 H new ATOM 0 HD3 LYS B 18 7.957 -10.070 -11.654 1.00 0.71 H new ATOM 0 HE2 LYS B 18 5.520 -10.474 -11.804 1.00 1.40 H new ATOM 0 HE3 LYS B 18 5.266 -9.566 -10.327 1.00 1.40 H new ATOM 0 HZ1 LYS B 18 4.849 -8.026 -11.968 1.00 1.67 H new ATOM 0 HZ2 LYS B 18 6.468 -7.683 -11.586 1.00 1.67 H new ATOM 0 HZ3 LYS B 18 6.096 -8.579 -12.980 1.00 1.67 H new ATOM 2551 N TYR B 19 10.582 -11.524 -7.008 1.00 0.39 N ATOM 2552 CA TYR B 19 11.946 -11.199 -6.607 1.00 0.43 C ATOM 2553 C TYR B 19 12.319 -11.803 -5.263 1.00 0.50 C ATOM 2554 O TYR B 19 13.483 -11.776 -4.871 1.00 0.74 O ATOM 2555 CB TYR B 19 12.130 -9.685 -6.600 1.00 0.46 C ATOM 2556 CG TYR B 19 11.880 -9.079 -7.959 1.00 0.41 C ATOM 2557 CD1 TYR B 19 12.848 -9.138 -8.949 1.00 1.17 C ATOM 2558 CD2 TYR B 19 10.666 -8.477 -8.265 1.00 1.17 C ATOM 2559 CE1 TYR B 19 12.621 -8.612 -10.202 1.00 1.17 C ATOM 2560 CE2 TYR B 19 10.429 -7.954 -9.520 1.00 1.21 C ATOM 2561 CZ TYR B 19 11.409 -8.022 -10.484 1.00 0.50 C ATOM 2562 OH TYR B 19 11.173 -7.512 -11.737 1.00 0.61 O ATOM 0 H TYR B 19 9.868 -10.901 -6.631 1.00 0.39 H new ATOM 0 HA TYR B 19 12.623 -11.642 -7.337 1.00 0.43 H new ATOM 0 HB2 TYR B 19 11.449 -9.240 -5.874 1.00 0.46 H new ATOM 0 HB3 TYR B 19 13.143 -9.444 -6.276 1.00 0.46 H new ATOM 0 HD1 TYR B 19 13.798 -9.605 -8.734 1.00 1.17 H new ATOM 0 HD2 TYR B 19 9.896 -8.417 -7.510 1.00 1.17 H new ATOM 0 HE1 TYR B 19 13.390 -8.662 -10.959 1.00 1.17 H new ATOM 0 HE2 TYR B 19 9.478 -7.493 -9.745 1.00 1.21 H new ATOM 0 HH TYR B 19 10.270 -7.132 -11.771 1.00 0.61 H new ATOM 2572 N SER B 20 11.345 -12.358 -4.571 1.00 0.41 N ATOM 2573 CA SER B 20 11.614 -13.053 -3.328 1.00 0.48 C ATOM 2574 C SER B 20 12.179 -14.434 -3.636 1.00 0.57 C ATOM 2575 O SER B 20 13.293 -14.775 -3.241 1.00 0.70 O ATOM 2576 CB SER B 20 10.328 -13.162 -2.517 1.00 0.49 C ATOM 2577 OG SER B 20 9.300 -13.746 -3.296 1.00 0.53 O ATOM 0 H SER B 20 10.363 -12.342 -4.847 1.00 0.41 H new ATOM 0 HA SER B 20 12.346 -12.499 -2.741 1.00 0.48 H new ATOM 0 HB2 SER B 20 10.503 -13.764 -1.625 1.00 0.49 H new ATOM 0 HB3 SER B 20 10.019 -12.173 -2.179 1.00 0.49 H new ATOM 0 HG SER B 20 8.813 -13.043 -3.775 1.00 0.53 H new ATOM 2583 N GLY B 21 11.422 -15.204 -4.411 1.00 0.57 N ATOM 2584 CA GLY B 21 11.837 -16.543 -4.780 1.00 0.68 C ATOM 2585 C GLY B 21 13.017 -16.555 -5.737 1.00 0.71 C ATOM 2586 O GLY B 21 13.437 -17.614 -6.195 1.00 0.86 O ATOM 0 H GLY B 21 10.520 -14.920 -4.793 1.00 0.57 H new ATOM 0 HA2 GLY B 21 12.101 -17.097 -3.879 1.00 0.68 H new ATOM 0 HA3 GLY B 21 10.997 -17.064 -5.240 1.00 0.68 H new ATOM 2688 N LYS B 28 9.233 -14.244 1.653 1.00 0.69 N ATOM 2689 CA LYS B 28 10.080 -13.370 2.436 1.00 0.68 C ATOM 2690 C LYS B 28 11.047 -12.643 1.535 1.00 0.50 C ATOM 2691 O LYS B 28 11.722 -13.260 0.718 1.00 0.54 O ATOM 2692 CB LYS B 28 10.848 -14.156 3.504 1.00 0.92 C ATOM 2693 CG LYS B 28 9.958 -14.877 4.502 1.00 0.93 C ATOM 2694 CD LYS B 28 8.891 -13.952 5.062 1.00 0.98 C ATOM 2695 CE LYS B 28 8.108 -14.615 6.176 1.00 1.51 C ATOM 2696 NZ LYS B 28 8.918 -14.767 7.413 1.00 1.98 N ATOM 0 HA LYS B 28 9.443 -12.644 2.941 1.00 0.68 H new ATOM 0 HB2 LYS B 28 11.490 -14.887 3.011 1.00 0.92 H new ATOM 0 HB3 LYS B 28 11.501 -13.471 4.044 1.00 0.92 H new ATOM 0 HG2 LYS B 28 9.484 -15.731 4.018 1.00 0.93 H new ATOM 0 HG3 LYS B 28 10.566 -15.269 5.317 1.00 0.93 H new ATOM 0 HD2 LYS B 28 9.358 -13.041 5.437 1.00 0.98 H new ATOM 0 HD3 LYS B 28 8.210 -13.656 4.264 1.00 0.98 H new ATOM 0 HE2 LYS B 28 7.219 -14.024 6.395 1.00 1.51 H new ATOM 0 HE3 LYS B 28 7.765 -15.595 5.844 1.00 1.51 H new ATOM 0 HZ1 LYS B 28 8.878 -15.755 7.735 1.00 1.98 H new ATOM 0 HZ2 LYS B 28 9.905 -14.506 7.216 1.00 1.98 H new ATOM 0 HZ3 LYS B 28 8.538 -14.146 8.155 1.00 1.98 H new ATOM 2710 N LEU B 29 11.090 -11.333 1.661 1.00 0.38 N ATOM 2711 CA LEU B 29 12.055 -10.545 0.924 1.00 0.32 C ATOM 2712 C LEU B 29 13.081 -9.943 1.863 1.00 0.33 C ATOM 2713 O LEU B 29 12.779 -9.036 2.638 1.00 0.42 O ATOM 2714 CB LEU B 29 11.383 -9.442 0.102 1.00 0.29 C ATOM 2715 CG LEU B 29 10.600 -9.921 -1.121 1.00 0.29 C ATOM 2716 CD1 LEU B 29 9.173 -10.272 -0.749 1.00 0.34 C ATOM 2717 CD2 LEU B 29 10.627 -8.866 -2.216 1.00 0.31 C ATOM 0 H LEU B 29 10.470 -10.793 2.265 1.00 0.38 H new ATOM 0 HA LEU B 29 12.558 -11.218 0.229 1.00 0.32 H new ATOM 0 HB2 LEU B 29 10.705 -8.889 0.753 1.00 0.29 H new ATOM 0 HB3 LEU B 29 12.149 -8.741 -0.230 1.00 0.29 H new ATOM 0 HG LEU B 29 11.079 -10.824 -1.500 1.00 0.29 H new ATOM 0 HD11 LEU B 29 8.638 -10.610 -1.637 1.00 0.34 H new ATOM 0 HD12 LEU B 29 9.176 -11.067 -0.003 1.00 0.34 H new ATOM 0 HD13 LEU B 29 8.677 -9.392 -0.339 1.00 0.34 H new ATOM 0 HD21 LEU B 29 10.065 -9.223 -3.079 1.00 0.31 H new ATOM 0 HD22 LEU B 29 10.177 -7.945 -1.845 1.00 0.31 H new ATOM 0 HD23 LEU B 29 11.659 -8.673 -2.509 1.00 0.31 H new ATOM 2729 N ASN B 30 14.285 -10.483 1.816 1.00 0.31 N ATOM 2730 CA ASN B 30 15.400 -9.930 2.562 1.00 0.31 C ATOM 2731 C ASN B 30 15.990 -8.769 1.773 1.00 0.27 C ATOM 2732 O ASN B 30 15.450 -8.396 0.729 1.00 0.26 O ATOM 2733 CB ASN B 30 16.470 -11.002 2.839 1.00 0.35 C ATOM 2734 CG ASN B 30 17.448 -11.203 1.692 1.00 0.58 C ATOM 2735 OD1 ASN B 30 18.502 -10.568 1.636 1.00 1.17 O ATOM 2736 ND2 ASN B 30 17.113 -12.077 0.774 1.00 0.60 N ATOM 0 H ASN B 30 14.516 -11.310 1.265 1.00 0.31 H new ATOM 0 HA ASN B 30 15.044 -9.573 3.528 1.00 0.31 H new ATOM 0 HB2 ASN B 30 17.026 -10.724 3.734 1.00 0.35 H new ATOM 0 HB3 ASN B 30 15.975 -11.949 3.053 1.00 0.35 H new ATOM 0 HD21 ASN B 30 17.733 -12.248 -0.018 1.00 0.60 H new ATOM 0 HD22 ASN B 30 16.232 -12.586 0.851 1.00 0.60 H new ATOM 2743 N LYS B 31 17.079 -8.203 2.272 1.00 0.27 N ATOM 2744 CA LYS B 31 17.733 -7.073 1.625 1.00 0.26 C ATOM 2745 C LYS B 31 17.922 -7.306 0.116 1.00 0.25 C ATOM 2746 O LYS B 31 17.604 -6.445 -0.697 1.00 0.28 O ATOM 2747 CB LYS B 31 19.099 -6.810 2.263 1.00 0.29 C ATOM 2748 CG LYS B 31 19.032 -6.456 3.735 1.00 0.40 C ATOM 2749 CD LYS B 31 20.419 -6.261 4.322 1.00 0.49 C ATOM 2750 CE LYS B 31 20.356 -5.883 5.792 1.00 1.20 C ATOM 2751 NZ LYS B 31 21.712 -5.724 6.380 1.00 1.72 N ATOM 0 H LYS B 31 17.533 -8.511 3.132 1.00 0.27 H new ATOM 0 HA LYS B 31 17.084 -6.208 1.762 1.00 0.26 H new ATOM 0 HB2 LYS B 31 19.723 -7.696 2.140 1.00 0.29 H new ATOM 0 HB3 LYS B 31 19.589 -5.998 1.726 1.00 0.29 H new ATOM 0 HG2 LYS B 31 18.449 -5.544 3.865 1.00 0.40 H new ATOM 0 HG3 LYS B 31 18.514 -7.246 4.278 1.00 0.40 H new ATOM 0 HD2 LYS B 31 20.996 -7.178 4.206 1.00 0.49 H new ATOM 0 HD3 LYS B 31 20.943 -5.483 3.768 1.00 0.49 H new ATOM 0 HE2 LYS B 31 19.800 -4.952 5.904 1.00 1.20 H new ATOM 0 HE3 LYS B 31 19.809 -6.650 6.341 1.00 1.20 H new ATOM 0 HZ1 LYS B 31 21.652 -5.141 7.239 1.00 1.72 H new ATOM 0 HZ2 LYS B 31 22.097 -6.659 6.623 1.00 1.72 H new ATOM 0 HZ3 LYS B 31 22.337 -5.261 5.690 1.00 1.72 H new ATOM 2765 N SER B 32 18.418 -8.480 -0.253 1.00 0.25 N ATOM 2766 CA SER B 32 18.742 -8.772 -1.651 1.00 0.27 C ATOM 2767 C SER B 32 17.476 -9.004 -2.487 1.00 0.24 C ATOM 2768 O SER B 32 17.454 -8.722 -3.689 1.00 0.27 O ATOM 2769 CB SER B 32 19.662 -9.995 -1.733 1.00 0.35 C ATOM 2770 OG SER B 32 20.186 -10.168 -3.041 1.00 1.27 O ATOM 0 H SER B 32 18.606 -9.247 0.392 1.00 0.25 H new ATOM 0 HA SER B 32 19.258 -7.905 -2.063 1.00 0.27 H new ATOM 0 HB2 SER B 32 20.482 -9.882 -1.024 1.00 0.35 H new ATOM 0 HB3 SER B 32 19.109 -10.888 -1.441 1.00 0.35 H new ATOM 0 HG SER B 32 20.769 -10.955 -3.058 1.00 1.27 H new ATOM 2776 N GLU B 33 16.425 -9.497 -1.845 1.00 0.25 N ATOM 2777 CA GLU B 33 15.184 -9.818 -2.539 1.00 0.27 C ATOM 2778 C GLU B 33 14.353 -8.560 -2.762 1.00 0.24 C ATOM 2779 O GLU B 33 13.758 -8.372 -3.823 1.00 0.26 O ATOM 2780 CB GLU B 33 14.410 -10.871 -1.744 1.00 0.34 C ATOM 2781 CG GLU B 33 15.115 -12.216 -1.741 1.00 0.47 C ATOM 2782 CD GLU B 33 14.682 -13.145 -0.622 1.00 0.83 C ATOM 2783 OE1 GLU B 33 14.531 -12.677 0.520 1.00 1.65 O ATOM 2784 OE2 GLU B 33 14.554 -14.356 -0.861 1.00 1.43 O ATOM 0 H GLU B 33 16.407 -9.684 -0.842 1.00 0.25 H new ATOM 0 HA GLU B 33 15.415 -10.231 -3.521 1.00 0.27 H new ATOM 0 HB2 GLU B 33 14.281 -10.527 -0.718 1.00 0.34 H new ATOM 0 HB3 GLU B 33 13.413 -10.986 -2.169 1.00 0.34 H new ATOM 0 HG2 GLU B 33 14.936 -12.709 -2.697 1.00 0.47 H new ATOM 0 HG3 GLU B 33 16.190 -12.050 -1.664 1.00 0.47 H new ATOM 2791 N LEU B 34 14.339 -7.688 -1.762 1.00 0.21 N ATOM 2792 CA LEU B 34 13.702 -6.387 -1.899 1.00 0.21 C ATOM 2793 C LEU B 34 14.481 -5.516 -2.868 1.00 0.20 C ATOM 2794 O LEU B 34 13.910 -4.699 -3.583 1.00 0.24 O ATOM 2795 CB LEU B 34 13.617 -5.693 -0.547 1.00 0.21 C ATOM 2796 CG LEU B 34 12.403 -6.054 0.298 1.00 0.21 C ATOM 2797 CD1 LEU B 34 12.609 -5.587 1.724 1.00 0.24 C ATOM 2798 CD2 LEU B 34 11.157 -5.423 -0.299 1.00 0.21 C ATOM 0 H LEU B 34 14.761 -7.859 -0.849 1.00 0.21 H new ATOM 0 HA LEU B 34 12.695 -6.540 -2.286 1.00 0.21 H new ATOM 0 HB2 LEU B 34 14.517 -5.930 0.021 1.00 0.21 H new ATOM 0 HB3 LEU B 34 13.617 -4.615 -0.710 1.00 0.21 H new ATOM 0 HG LEU B 34 12.276 -7.137 0.305 1.00 0.21 H new ATOM 0 HD11 LEU B 34 11.736 -5.849 2.322 1.00 0.24 H new ATOM 0 HD12 LEU B 34 13.493 -6.070 2.141 1.00 0.24 H new ATOM 0 HD13 LEU B 34 12.746 -4.506 1.737 1.00 0.24 H new ATOM 0 HD21 LEU B 34 10.290 -5.684 0.309 1.00 0.21 H new ATOM 0 HD22 LEU B 34 11.272 -4.339 -0.320 1.00 0.21 H new ATOM 0 HD23 LEU B 34 11.013 -5.793 -1.314 1.00 0.21 H new ATOM 2810 N LYS B 35 15.790 -5.696 -2.867 1.00 0.21 N ATOM 2811 CA LYS B 35 16.669 -4.989 -3.779 1.00 0.26 C ATOM 2812 C LYS B 35 16.179 -5.109 -5.213 1.00 0.22 C ATOM 2813 O LYS B 35 15.829 -4.110 -5.833 1.00 0.24 O ATOM 2814 CB LYS B 35 18.088 -5.537 -3.646 1.00 0.37 C ATOM 2815 CG LYS B 35 19.094 -4.875 -4.561 1.00 0.54 C ATOM 2816 CD LYS B 35 20.512 -5.211 -4.141 1.00 0.68 C ATOM 2817 CE LYS B 35 21.525 -4.500 -5.011 1.00 0.61 C ATOM 2818 NZ LYS B 35 22.918 -4.774 -4.574 1.00 0.95 N ATOM 0 H LYS B 35 16.272 -6.335 -2.235 1.00 0.21 H new ATOM 0 HA LYS B 35 16.668 -3.931 -3.519 1.00 0.26 H new ATOM 0 HB2 LYS B 35 18.417 -5.416 -2.614 1.00 0.37 H new ATOM 0 HB3 LYS B 35 18.074 -6.607 -3.853 1.00 0.37 H new ATOM 0 HG2 LYS B 35 18.928 -5.202 -5.588 1.00 0.54 H new ATOM 0 HG3 LYS B 35 18.952 -3.794 -4.543 1.00 0.54 H new ATOM 0 HD2 LYS B 35 20.662 -4.928 -3.099 1.00 0.68 H new ATOM 0 HD3 LYS B 35 20.667 -6.288 -4.204 1.00 0.68 H new ATOM 0 HE2 LYS B 35 21.400 -4.816 -6.047 1.00 0.61 H new ATOM 0 HE3 LYS B 35 21.339 -3.426 -4.981 1.00 0.61 H new ATOM 0 HZ1 LYS B 35 23.582 -4.269 -5.195 1.00 0.95 H new ATOM 0 HZ2 LYS B 35 23.045 -4.449 -3.594 1.00 0.95 H new ATOM 0 HZ3 LYS B 35 23.104 -5.796 -4.627 1.00 0.95 H new ATOM 2832 N GLU B 36 16.107 -6.333 -5.720 1.00 0.22 N ATOM 2833 CA GLU B 36 15.711 -6.558 -7.105 1.00 0.24 C ATOM 2834 C GLU B 36 14.264 -6.127 -7.332 1.00 0.25 C ATOM 2835 O GLU B 36 13.873 -5.769 -8.444 1.00 0.32 O ATOM 2836 CB GLU B 36 15.863 -8.022 -7.473 1.00 0.28 C ATOM 2837 CG GLU B 36 16.175 -8.237 -8.942 1.00 0.65 C ATOM 2838 CD GLU B 36 17.567 -7.786 -9.319 1.00 0.77 C ATOM 2839 OE1 GLU B 36 17.761 -6.585 -9.597 1.00 1.30 O ATOM 2840 OE2 GLU B 36 18.470 -8.647 -9.370 1.00 1.48 O ATOM 0 H GLU B 36 16.317 -7.182 -5.196 1.00 0.22 H new ATOM 0 HA GLU B 36 16.364 -5.959 -7.739 1.00 0.24 H new ATOM 0 HB2 GLU B 36 16.658 -8.461 -6.871 1.00 0.28 H new ATOM 0 HB3 GLU B 36 14.944 -8.551 -7.222 1.00 0.28 H new ATOM 0 HG2 GLU B 36 16.064 -9.295 -9.181 1.00 0.65 H new ATOM 0 HG3 GLU B 36 15.447 -7.696 -9.546 1.00 0.65 H new ATOM 2847 N LEU B 37 13.476 -6.191 -6.274 1.00 0.23 N ATOM 2848 CA LEU B 37 12.104 -5.709 -6.308 1.00 0.26 C ATOM 2849 C LEU B 37 12.086 -4.241 -6.711 1.00 0.22 C ATOM 2850 O LEU B 37 11.491 -3.857 -7.721 1.00 0.22 O ATOM 2851 CB LEU B 37 11.469 -5.854 -4.924 1.00 0.32 C ATOM 2852 CG LEU B 37 9.955 -5.676 -4.871 1.00 0.41 C ATOM 2853 CD1 LEU B 37 9.262 -6.977 -5.222 1.00 0.34 C ATOM 2854 CD2 LEU B 37 9.524 -5.185 -3.499 1.00 0.74 C ATOM 0 H LEU B 37 13.764 -6.575 -5.374 1.00 0.23 H new ATOM 0 HA LEU B 37 11.540 -6.297 -7.033 1.00 0.26 H new ATOM 0 HB2 LEU B 37 11.715 -6.841 -4.533 1.00 0.32 H new ATOM 0 HB3 LEU B 37 11.926 -5.124 -4.256 1.00 0.32 H new ATOM 0 HG LEU B 37 9.665 -4.924 -5.605 1.00 0.41 H new ATOM 0 HD11 LEU B 37 8.182 -6.837 -5.181 1.00 0.34 H new ATOM 0 HD12 LEU B 37 9.550 -7.283 -6.228 1.00 0.34 H new ATOM 0 HD13 LEU B 37 9.555 -7.749 -4.510 1.00 0.34 H new ATOM 0 HD21 LEU B 37 8.441 -5.064 -3.480 1.00 0.74 H new ATOM 0 HD22 LEU B 37 9.821 -5.911 -2.743 1.00 0.74 H new ATOM 0 HD23 LEU B 37 10.000 -4.227 -3.289 1.00 0.74 H new ATOM 2866 N LEU B 38 12.782 -3.438 -5.921 1.00 0.19 N ATOM 2867 CA LEU B 38 12.803 -2.000 -6.103 1.00 0.19 C ATOM 2868 C LEU B 38 13.657 -1.585 -7.303 1.00 0.19 C ATOM 2869 O LEU B 38 13.382 -0.573 -7.932 1.00 0.21 O ATOM 2870 CB LEU B 38 13.294 -1.316 -4.826 1.00 0.19 C ATOM 2871 CG LEU B 38 12.272 -1.229 -3.688 1.00 0.19 C ATOM 2872 CD1 LEU B 38 12.688 -2.107 -2.521 1.00 0.20 C ATOM 2873 CD2 LEU B 38 12.109 0.211 -3.229 1.00 0.20 C ATOM 0 H LEU B 38 13.346 -3.767 -5.138 1.00 0.19 H new ATOM 0 HA LEU B 38 11.783 -1.677 -6.311 1.00 0.19 H new ATOM 0 HB2 LEU B 38 14.171 -1.851 -4.463 1.00 0.19 H new ATOM 0 HB3 LEU B 38 13.618 -0.306 -5.077 1.00 0.19 H new ATOM 0 HG LEU B 38 11.314 -1.588 -4.064 1.00 0.19 H new ATOM 0 HD11 LEU B 38 11.947 -2.029 -1.725 1.00 0.20 H new ATOM 0 HD12 LEU B 38 12.757 -3.143 -2.852 1.00 0.20 H new ATOM 0 HD13 LEU B 38 13.658 -1.780 -2.147 1.00 0.20 H new ATOM 0 HD21 LEU B 38 11.379 0.255 -2.420 1.00 0.20 H new ATOM 0 HD22 LEU B 38 13.067 0.590 -2.874 1.00 0.20 H new ATOM 0 HD23 LEU B 38 11.763 0.822 -4.063 1.00 0.20 H new ATOM 2885 N THR B 39 14.679 -2.362 -7.635 1.00 0.20 N ATOM 2886 CA THR B 39 15.546 -2.019 -8.763 1.00 0.22 C ATOM 2887 C THR B 39 14.781 -2.076 -10.078 1.00 0.23 C ATOM 2888 O THR B 39 14.961 -1.231 -10.958 1.00 0.27 O ATOM 2889 CB THR B 39 16.759 -2.965 -8.872 1.00 0.25 C ATOM 2890 OG1 THR B 39 16.317 -4.323 -8.943 1.00 0.30 O ATOM 2891 CG2 THR B 39 17.699 -2.796 -7.694 1.00 0.27 C ATOM 0 H THR B 39 14.929 -3.223 -7.149 1.00 0.20 H new ATOM 0 HA THR B 39 15.899 -1.005 -8.576 1.00 0.22 H new ATOM 0 HB THR B 39 17.302 -2.709 -9.782 1.00 0.25 H new ATOM 0 HG1 THR B 39 17.028 -4.879 -9.326 1.00 0.30 H new ATOM 0 HG21 THR B 39 18.543 -3.477 -7.802 1.00 0.27 H new ATOM 0 HG22 THR B 39 18.063 -1.769 -7.663 1.00 0.27 H new ATOM 0 HG23 THR B 39 17.167 -3.020 -6.769 1.00 0.27 H new ATOM 2899 N ARG B 40 13.923 -3.074 -10.200 1.00 0.24 N ATOM 2900 CA ARG B 40 13.220 -3.323 -11.442 1.00 0.27 C ATOM 2901 C ARG B 40 11.914 -2.544 -11.528 1.00 0.27 C ATOM 2902 O ARG B 40 11.729 -1.732 -12.434 1.00 0.30 O ATOM 2903 CB ARG B 40 12.940 -4.817 -11.596 1.00 0.31 C ATOM 2904 CG ARG B 40 14.191 -5.676 -11.685 1.00 0.34 C ATOM 2905 CD ARG B 40 15.132 -5.187 -12.774 1.00 0.44 C ATOM 2906 NE ARG B 40 14.446 -4.996 -14.052 1.00 0.64 N ATOM 2907 CZ ARG B 40 14.779 -4.064 -14.947 1.00 0.87 C ATOM 2908 NH1 ARG B 40 15.812 -3.257 -14.724 1.00 1.22 N ATOM 2909 NH2 ARG B 40 14.081 -3.946 -16.068 1.00 1.06 N ATOM 0 H ARG B 40 13.697 -3.727 -9.449 1.00 0.24 H new ATOM 0 HA ARG B 40 13.863 -2.982 -12.253 1.00 0.27 H new ATOM 0 HB2 ARG B 40 12.341 -5.153 -10.750 1.00 0.31 H new ATOM 0 HB3 ARG B 40 12.340 -4.973 -12.493 1.00 0.31 H new ATOM 0 HG2 ARG B 40 14.708 -5.666 -10.726 1.00 0.34 H new ATOM 0 HG3 ARG B 40 13.909 -6.710 -11.885 1.00 0.34 H new ATOM 0 HD2 ARG B 40 15.587 -4.246 -12.463 1.00 0.44 H new ATOM 0 HD3 ARG B 40 15.942 -5.906 -12.902 1.00 0.44 H new ATOM 0 HE ARG B 40 13.665 -5.614 -14.273 1.00 0.64 H new ATOM 0 HH11 ARG B 40 16.355 -3.349 -13.865 1.00 1.22 H new ATOM 0 HH12 ARG B 40 16.062 -2.546 -15.412 1.00 1.22 H new ATOM 0 HH21 ARG B 40 13.291 -4.567 -16.245 1.00 1.06 H new ATOM 0 HH22 ARG B 40 14.334 -3.234 -16.754 1.00 1.06 H new ATOM 2923 N GLU B 41 11.016 -2.782 -10.585 1.00 0.27 N ATOM 2924 CA GLU B 41 9.666 -2.242 -10.679 1.00 0.30 C ATOM 2925 C GLU B 41 9.460 -0.990 -9.832 1.00 0.34 C ATOM 2926 O GLU B 41 8.425 -0.343 -9.935 1.00 0.46 O ATOM 2927 CB GLU B 41 8.634 -3.320 -10.347 1.00 0.36 C ATOM 2928 CG GLU B 41 8.288 -4.192 -11.545 1.00 0.45 C ATOM 2929 CD GLU B 41 7.380 -5.358 -11.205 1.00 0.83 C ATOM 2930 OE1 GLU B 41 6.299 -5.130 -10.630 1.00 1.59 O ATOM 2931 OE2 GLU B 41 7.740 -6.512 -11.527 1.00 1.54 O ATOM 0 H GLU B 41 11.194 -3.341 -9.751 1.00 0.27 H new ATOM 0 HA GLU B 41 9.522 -1.927 -11.713 1.00 0.30 H new ATOM 0 HB2 GLU B 41 9.018 -3.949 -9.544 1.00 0.36 H new ATOM 0 HB3 GLU B 41 7.726 -2.845 -9.974 1.00 0.36 H new ATOM 0 HG2 GLU B 41 7.806 -3.577 -12.305 1.00 0.45 H new ATOM 0 HG3 GLU B 41 9.210 -4.576 -11.983 1.00 0.45 H new ATOM 2938 N LEU B 42 10.430 -0.635 -8.994 1.00 0.27 N ATOM 2939 CA LEU B 42 10.339 0.622 -8.241 1.00 0.28 C ATOM 2940 C LEU B 42 11.565 1.515 -8.473 1.00 0.27 C ATOM 2941 O LEU B 42 12.069 2.119 -7.528 1.00 0.26 O ATOM 2942 CB LEU B 42 10.200 0.354 -6.735 1.00 0.27 C ATOM 2943 CG LEU B 42 8.965 -0.435 -6.304 1.00 0.27 C ATOM 2944 CD1 LEU B 42 9.183 -1.917 -6.506 1.00 0.26 C ATOM 2945 CD2 LEU B 42 8.621 -0.137 -4.856 1.00 0.32 C ATOM 0 H LEU B 42 11.272 -1.183 -8.818 1.00 0.27 H new ATOM 0 HA LEU B 42 9.451 1.139 -8.606 1.00 0.28 H new ATOM 0 HB2 LEU B 42 11.086 -0.185 -6.399 1.00 0.27 H new ATOM 0 HB3 LEU B 42 10.194 1.312 -6.215 1.00 0.27 H new ATOM 0 HG LEU B 42 8.125 -0.125 -6.926 1.00 0.27 H new ATOM 0 HD11 LEU B 42 8.292 -2.462 -6.193 1.00 0.26 H new ATOM 0 HD12 LEU B 42 9.379 -2.116 -7.560 1.00 0.26 H new ATOM 0 HD13 LEU B 42 10.036 -2.244 -5.911 1.00 0.26 H new ATOM 0 HD21 LEU B 42 7.739 -0.708 -4.567 1.00 0.32 H new ATOM 0 HD22 LEU B 42 9.459 -0.416 -4.218 1.00 0.32 H new ATOM 0 HD23 LEU B 42 8.418 0.928 -4.742 1.00 0.32 H new ATOM 2957 N PRO B 43 12.028 1.675 -9.729 1.00 0.31 N ATOM 2958 CA PRO B 43 13.319 2.315 -9.999 1.00 0.33 C ATOM 2959 C PRO B 43 13.312 3.808 -9.673 1.00 0.33 C ATOM 2960 O PRO B 43 14.321 4.365 -9.232 1.00 0.36 O ATOM 2961 CB PRO B 43 13.531 2.083 -11.495 1.00 0.41 C ATOM 2962 CG PRO B 43 12.165 1.906 -12.062 1.00 0.51 C ATOM 2963 CD PRO B 43 11.323 1.304 -10.969 1.00 0.35 C ATOM 0 HA PRO B 43 14.115 1.901 -9.380 1.00 0.33 H new ATOM 0 HB2 PRO B 43 14.042 2.929 -11.956 1.00 0.41 H new ATOM 0 HB3 PRO B 43 14.148 1.202 -11.673 1.00 0.41 H new ATOM 0 HG2 PRO B 43 11.753 2.861 -12.387 1.00 0.51 H new ATOM 0 HG3 PRO B 43 12.189 1.255 -12.936 1.00 0.51 H new ATOM 0 HD2 PRO B 43 10.307 1.700 -10.984 1.00 0.35 H new ATOM 0 HD3 PRO B 43 11.245 0.222 -11.075 1.00 0.35 H new ATOM 2971 N SER B 44 12.167 4.444 -9.877 1.00 0.36 N ATOM 2972 CA SER B 44 12.012 5.859 -9.576 1.00 0.39 C ATOM 2973 C SER B 44 12.025 6.095 -8.069 1.00 0.35 C ATOM 2974 O SER B 44 12.548 7.098 -7.588 1.00 0.40 O ATOM 2975 CB SER B 44 10.698 6.368 -10.162 1.00 0.46 C ATOM 2976 OG SER B 44 10.583 6.014 -11.529 1.00 1.09 O ATOM 0 H SER B 44 11.329 4.000 -10.251 1.00 0.36 H new ATOM 0 HA SER B 44 12.847 6.401 -10.020 1.00 0.39 H new ATOM 0 HB2 SER B 44 9.860 5.951 -9.603 1.00 0.46 H new ATOM 0 HB3 SER B 44 10.644 7.452 -10.057 1.00 0.46 H new ATOM 0 HG SER B 44 9.733 6.349 -11.883 1.00 1.09 H new ATOM 2982 N PHE B 45 11.467 5.144 -7.329 1.00 0.30 N ATOM 2983 CA PHE B 45 11.298 5.278 -5.890 1.00 0.28 C ATOM 2984 C PHE B 45 12.581 4.942 -5.144 1.00 0.28 C ATOM 2985 O PHE B 45 12.548 4.720 -3.944 1.00 0.27 O ATOM 2986 CB PHE B 45 10.186 4.347 -5.394 1.00 0.31 C ATOM 2987 CG PHE B 45 8.932 4.376 -6.218 1.00 0.28 C ATOM 2988 CD1 PHE B 45 7.960 5.334 -5.999 1.00 1.17 C ATOM 2989 CD2 PHE B 45 8.723 3.426 -7.202 1.00 1.28 C ATOM 2990 CE1 PHE B 45 6.802 5.345 -6.750 1.00 1.18 C ATOM 2991 CE2 PHE B 45 7.569 3.429 -7.953 1.00 1.34 C ATOM 2992 CZ PHE B 45 6.606 4.389 -7.729 1.00 0.47 C ATOM 0 H PHE B 45 11.121 4.263 -7.709 1.00 0.30 H new ATOM 0 HA PHE B 45 11.034 6.317 -5.692 1.00 0.28 H new ATOM 0 HB2 PHE B 45 10.568 3.326 -5.373 1.00 0.31 H new ATOM 0 HB3 PHE B 45 9.937 4.615 -4.367 1.00 0.31 H new ATOM 0 HD1 PHE B 45 8.108 6.081 -5.233 1.00 1.17 H new ATOM 0 HD2 PHE B 45 9.475 2.672 -7.383 1.00 1.28 H new ATOM 0 HE1 PHE B 45 6.050 6.100 -6.573 1.00 1.18 H new ATOM 0 HE2 PHE B 45 7.419 2.680 -8.717 1.00 1.34 H new ATOM 0 HZ PHE B 45 5.700 4.394 -8.317 1.00 0.47 H new ATOM 3002 N LEU B 46 13.711 4.901 -5.829 1.00 0.32 N ATOM 3003 CA LEU B 46 14.956 4.573 -5.151 1.00 0.33 C ATOM 3004 C LEU B 46 15.745 5.823 -4.809 1.00 0.39 C ATOM 3005 O LEU B 46 16.650 5.770 -3.987 1.00 0.47 O ATOM 3006 CB LEU B 46 15.820 3.610 -5.973 1.00 0.35 C ATOM 3007 CG LEU B 46 15.150 2.281 -6.318 1.00 0.32 C ATOM 3008 CD1 LEU B 46 16.192 1.214 -6.614 1.00 0.41 C ATOM 3009 CD2 LEU B 46 14.215 1.848 -5.195 1.00 0.30 C ATOM 0 H LEU B 46 13.795 5.085 -6.829 1.00 0.32 H new ATOM 0 HA LEU B 46 14.684 4.070 -4.223 1.00 0.33 H new ATOM 0 HB2 LEU B 46 16.110 4.106 -6.900 1.00 0.35 H new ATOM 0 HB3 LEU B 46 16.737 3.405 -5.420 1.00 0.35 H new ATOM 0 HG LEU B 46 14.551 2.417 -7.219 1.00 0.32 H new ATOM 0 HD11 LEU B 46 15.693 0.276 -6.857 1.00 0.41 H new ATOM 0 HD12 LEU B 46 16.805 1.529 -7.459 1.00 0.41 H new ATOM 0 HD13 LEU B 46 16.826 1.072 -5.739 1.00 0.41 H new ATOM 0 HD21 LEU B 46 13.746 0.900 -5.457 1.00 0.30 H new ATOM 0 HD22 LEU B 46 14.784 1.729 -4.273 1.00 0.30 H new ATOM 0 HD23 LEU B 46 13.445 2.606 -5.050 1.00 0.30 H new ATOM 3021 N GLY B 47 15.386 6.937 -5.442 1.00 0.41 N ATOM 3022 CA GLY B 47 16.078 8.214 -5.252 1.00 0.49 C ATOM 3023 C GLY B 47 17.534 8.207 -5.709 1.00 0.53 C ATOM 3024 O GLY B 47 18.028 9.203 -6.237 1.00 0.60 O ATOM 0 H GLY B 47 14.609 6.983 -6.101 1.00 0.41 H new ATOM 0 HA2 GLY B 47 15.541 8.991 -5.797 1.00 0.49 H new ATOM 0 HA3 GLY B 47 16.041 8.482 -4.196 1.00 0.49 H new ATOM 3028 N LYS B 48 18.203 7.083 -5.509 1.00 0.54 N ATOM 3029 CA LYS B 48 19.524 6.824 -6.069 1.00 0.67 C ATOM 3030 C LYS B 48 19.635 5.349 -6.429 1.00 0.70 C ATOM 3031 O LYS B 48 19.556 4.971 -7.597 1.00 1.18 O ATOM 3032 CB LYS B 48 20.646 7.183 -5.085 1.00 0.82 C ATOM 3033 CG LYS B 48 20.787 8.668 -4.800 1.00 1.41 C ATOM 3034 CD LYS B 48 22.029 8.949 -3.973 1.00 2.04 C ATOM 3035 CE LYS B 48 22.154 10.424 -3.631 1.00 2.61 C ATOM 3036 NZ LYS B 48 21.059 10.880 -2.735 1.00 3.21 N ATOM 0 H LYS B 48 17.841 6.313 -4.946 1.00 0.54 H new ATOM 0 HA LYS B 48 19.639 7.450 -6.954 1.00 0.67 H new ATOM 0 HB2 LYS B 48 20.467 6.662 -4.145 1.00 0.82 H new ATOM 0 HB3 LYS B 48 21.591 6.811 -5.481 1.00 0.82 H new ATOM 0 HG2 LYS B 48 20.839 9.219 -5.739 1.00 1.41 H new ATOM 0 HG3 LYS B 48 19.904 9.025 -4.270 1.00 1.41 H new ATOM 0 HD2 LYS B 48 21.994 8.364 -3.054 1.00 2.04 H new ATOM 0 HD3 LYS B 48 22.913 8.627 -4.523 1.00 2.04 H new ATOM 0 HE2 LYS B 48 23.115 10.605 -3.150 1.00 2.61 H new ATOM 0 HE3 LYS B 48 22.141 11.012 -4.549 1.00 2.61 H new ATOM 0 HZ1 LYS B 48 21.286 11.824 -2.363 1.00 3.21 H new ATOM 0 HZ2 LYS B 48 20.168 10.923 -3.270 1.00 3.21 H new ATOM 0 HZ3 LYS B 48 20.956 10.212 -1.945 1.00 3.21 H new ATOM 3050 N ARG B 49 19.784 4.523 -5.401 1.00 0.54 N ATOM 3051 CA ARG B 49 19.902 3.078 -5.565 1.00 0.54 C ATOM 3052 C ARG B 49 19.947 2.411 -4.197 1.00 0.51 C ATOM 3053 O ARG B 49 20.323 3.037 -3.210 1.00 0.55 O ATOM 3054 CB ARG B 49 21.165 2.712 -6.350 1.00 0.66 C ATOM 3055 CG ARG B 49 21.254 1.233 -6.694 1.00 0.74 C ATOM 3056 CD ARG B 49 20.196 0.842 -7.713 1.00 0.73 C ATOM 3057 NE ARG B 49 20.521 1.364 -9.039 1.00 1.28 N ATOM 3058 CZ ARG B 49 19.630 1.848 -9.903 1.00 1.46 C ATOM 3059 NH1 ARG B 49 18.338 1.877 -9.596 1.00 1.43 N ATOM 3060 NH2 ARG B 49 20.039 2.304 -11.078 1.00 2.26 N ATOM 0 H ARG B 49 19.827 4.835 -4.431 1.00 0.54 H new ATOM 0 HA ARG B 49 19.035 2.727 -6.124 1.00 0.54 H new ATOM 0 HB2 ARG B 49 21.193 3.294 -7.271 1.00 0.66 H new ATOM 0 HB3 ARG B 49 22.041 2.995 -5.767 1.00 0.66 H new ATOM 0 HG2 ARG B 49 22.244 1.008 -7.089 1.00 0.74 H new ATOM 0 HG3 ARG B 49 21.129 0.638 -5.789 1.00 0.74 H new ATOM 0 HD2 ARG B 49 20.113 -0.244 -7.757 1.00 0.73 H new ATOM 0 HD3 ARG B 49 19.225 1.223 -7.397 1.00 0.73 H new ATOM 0 HE ARG B 49 21.501 1.357 -9.323 1.00 1.28 H new ATOM 0 HH11 ARG B 49 18.021 1.527 -8.692 1.00 1.43 H new ATOM 0 HH12 ARG B 49 17.663 2.250 -10.264 1.00 1.43 H new ATOM 0 HH21 ARG B 49 21.031 2.283 -11.316 1.00 2.26 H new ATOM 0 HH22 ARG B 49 19.362 2.676 -11.744 1.00 2.26 H new ATOM 3074 N THR B 50 19.552 1.150 -4.141 1.00 0.51 N ATOM 3075 CA THR B 50 19.613 0.385 -2.911 1.00 0.51 C ATOM 3076 C THR B 50 20.911 -0.425 -2.847 1.00 0.61 C ATOM 3077 O THR B 50 21.025 -1.480 -3.473 1.00 0.82 O ATOM 3078 CB THR B 50 18.401 -0.556 -2.809 1.00 0.57 C ATOM 3079 OG1 THR B 50 18.300 -1.342 -4.003 1.00 0.69 O ATOM 3080 CG2 THR B 50 17.117 0.238 -2.614 1.00 0.57 C ATOM 0 H THR B 50 19.184 0.633 -4.940 1.00 0.51 H new ATOM 0 HA THR B 50 19.593 1.080 -2.072 1.00 0.51 H new ATOM 0 HB THR B 50 18.542 -1.209 -1.948 1.00 0.57 H new ATOM 0 HG1 THR B 50 19.183 -1.697 -4.237 1.00 0.69 H new ATOM 0 HG21 THR B 50 16.272 -0.447 -2.544 1.00 0.57 H new ATOM 0 HG22 THR B 50 17.186 0.823 -1.697 1.00 0.57 H new ATOM 0 HG23 THR B 50 16.971 0.908 -3.461 1.00 0.57 H new ATOM 3088 N ASP B 51 21.893 0.087 -2.113 1.00 0.58 N ATOM 3089 CA ASP B 51 23.195 -0.571 -2.006 1.00 0.72 C ATOM 3090 C ASP B 51 23.328 -1.313 -0.684 1.00 0.60 C ATOM 3091 O ASP B 51 22.381 -1.381 0.094 1.00 0.58 O ATOM 3092 CB ASP B 51 24.329 0.449 -2.135 1.00 0.91 C ATOM 3093 CG ASP B 51 24.361 1.123 -3.492 1.00 1.35 C ATOM 3094 OD1 ASP B 51 25.015 0.586 -4.411 1.00 1.98 O ATOM 3095 OD2 ASP B 51 23.741 2.195 -3.648 1.00 1.91 O ATOM 0 H ASP B 51 21.815 0.955 -1.583 1.00 0.58 H new ATOM 0 HA ASP B 51 23.266 -1.291 -2.821 1.00 0.72 H new ATOM 0 HB2 ASP B 51 24.219 1.208 -1.360 1.00 0.91 H new ATOM 0 HB3 ASP B 51 25.282 -0.050 -1.960 1.00 0.91 H new ATOM 3100 N GLU B 52 24.520 -1.845 -0.425 1.00 0.68 N ATOM 3101 CA GLU B 52 24.778 -2.630 0.778 1.00 0.66 C ATOM 3102 C GLU B 52 24.640 -1.782 2.044 1.00 0.55 C ATOM 3103 O GLU B 52 23.816 -2.079 2.915 1.00 0.50 O ATOM 3104 CB GLU B 52 26.179 -3.237 0.718 1.00 0.83 C ATOM 3105 CG GLU B 52 26.568 -3.976 1.985 1.00 1.57 C ATOM 3106 CD GLU B 52 28.024 -4.382 1.998 1.00 2.22 C ATOM 3107 OE1 GLU B 52 28.889 -3.490 2.113 1.00 2.89 O ATOM 3108 OE2 GLU B 52 28.316 -5.587 1.888 1.00 2.79 O ATOM 0 H GLU B 52 25.329 -1.745 -1.039 1.00 0.68 H new ATOM 0 HA GLU B 52 24.034 -3.426 0.819 1.00 0.66 H new ATOM 0 HB2 GLU B 52 26.234 -3.924 -0.126 1.00 0.83 H new ATOM 0 HB3 GLU B 52 26.903 -2.444 0.531 1.00 0.83 H new ATOM 0 HG2 GLU B 52 26.364 -3.342 2.848 1.00 1.57 H new ATOM 0 HG3 GLU B 52 25.946 -4.865 2.088 1.00 1.57 H new ATOM 3115 N ALA B 53 25.439 -0.723 2.135 1.00 0.58 N ATOM 3116 CA ALA B 53 25.432 0.153 3.307 1.00 0.58 C ATOM 3117 C ALA B 53 24.121 0.908 3.415 1.00 0.53 C ATOM 3118 O ALA B 53 23.823 1.527 4.434 1.00 0.58 O ATOM 3119 CB ALA B 53 26.587 1.136 3.245 1.00 0.70 C ATOM 0 H ALA B 53 26.102 -0.448 1.410 1.00 0.58 H new ATOM 0 HA ALA B 53 25.545 -0.474 4.191 1.00 0.58 H new ATOM 0 HB1 ALA B 53 26.565 1.779 4.125 1.00 0.70 H new ATOM 0 HB2 ALA B 53 27.529 0.589 3.219 1.00 0.70 H new ATOM 0 HB3 ALA B 53 26.497 1.747 2.347 1.00 0.70 H new ATOM 3125 N ALA B 54 23.350 0.864 2.351 1.00 0.52 N ATOM 3126 CA ALA B 54 22.057 1.503 2.324 1.00 0.51 C ATOM 3127 C ALA B 54 20.971 0.540 2.787 1.00 0.39 C ATOM 3128 O ALA B 54 20.067 0.916 3.530 1.00 0.35 O ATOM 3129 CB ALA B 54 21.761 1.998 0.926 1.00 0.63 C ATOM 0 H ALA B 54 23.602 0.386 1.485 1.00 0.52 H new ATOM 0 HA ALA B 54 22.071 2.352 3.007 1.00 0.51 H new ATOM 0 HB1 ALA B 54 20.783 2.480 0.910 1.00 0.63 H new ATOM 0 HB2 ALA B 54 22.524 2.715 0.625 1.00 0.63 H new ATOM 0 HB3 ALA B 54 21.762 1.156 0.234 1.00 0.63 H new ATOM 3135 N PHE B 55 21.076 -0.709 2.351 1.00 0.38 N ATOM 3136 CA PHE B 55 20.061 -1.711 2.651 1.00 0.32 C ATOM 3137 C PHE B 55 20.140 -2.183 4.093 1.00 0.31 C ATOM 3138 O PHE B 55 19.173 -2.734 4.618 1.00 0.31 O ATOM 3139 CB PHE B 55 20.172 -2.902 1.703 1.00 0.41 C ATOM 3140 CG PHE B 55 18.873 -3.219 1.025 1.00 0.36 C ATOM 3141 CD1 PHE B 55 17.786 -3.666 1.758 1.00 1.25 C ATOM 3142 CD2 PHE B 55 18.732 -3.051 -0.340 1.00 1.23 C ATOM 3143 CE1 PHE B 55 16.584 -3.945 1.142 1.00 1.22 C ATOM 3144 CE2 PHE B 55 17.532 -3.326 -0.963 1.00 1.30 C ATOM 3145 CZ PHE B 55 16.456 -3.774 -0.222 1.00 0.46 C ATOM 0 H PHE B 55 21.854 -1.052 1.788 1.00 0.38 H new ATOM 0 HA PHE B 55 19.091 -1.235 2.507 1.00 0.32 H new ATOM 0 HB2 PHE B 55 20.930 -2.692 0.949 1.00 0.41 H new ATOM 0 HB3 PHE B 55 20.510 -3.776 2.260 1.00 0.41 H new ATOM 0 HD1 PHE B 55 17.881 -3.798 2.826 1.00 1.25 H new ATOM 0 HD2 PHE B 55 19.570 -2.701 -0.925 1.00 1.23 H new ATOM 0 HE1 PHE B 55 15.745 -4.296 1.725 1.00 1.22 H new ATOM 0 HE2 PHE B 55 17.434 -3.191 -2.030 1.00 1.30 H new ATOM 0 HZ PHE B 55 15.516 -3.990 -0.709 1.00 0.46 H new ATOM 3155 N GLN B 56 21.283 -1.972 4.739 1.00 0.35 N ATOM 3156 CA GLN B 56 21.397 -2.266 6.164 1.00 0.41 C ATOM 3157 C GLN B 56 20.445 -1.362 6.938 1.00 0.42 C ATOM 3158 O GLN B 56 19.890 -1.748 7.966 1.00 0.52 O ATOM 3159 CB GLN B 56 22.837 -2.086 6.659 1.00 0.51 C ATOM 3160 CG GLN B 56 23.353 -0.664 6.559 1.00 0.53 C ATOM 3161 CD GLN B 56 24.758 -0.515 7.103 1.00 0.69 C ATOM 3162 OE1 GLN B 56 25.740 -0.652 6.373 1.00 1.15 O ATOM 3163 NE2 GLN B 56 24.864 -0.241 8.392 1.00 1.53 N ATOM 0 H GLN B 56 22.131 -1.605 4.307 1.00 0.35 H new ATOM 0 HA GLN B 56 21.127 -3.309 6.331 1.00 0.41 H new ATOM 0 HB2 GLN B 56 22.896 -2.410 7.698 1.00 0.51 H new ATOM 0 HB3 GLN B 56 23.492 -2.740 6.083 1.00 0.51 H new ATOM 0 HG2 GLN B 56 23.336 -0.348 5.516 1.00 0.53 H new ATOM 0 HG3 GLN B 56 22.684 0.001 7.105 1.00 0.53 H new ATOM 0 HE21 GLN B 56 24.025 -0.135 8.962 1.00 1.53 H new ATOM 0 HE22 GLN B 56 25.785 -0.135 8.817 1.00 1.53 H new ATOM 3172 N LYS B 57 20.247 -0.160 6.411 1.00 0.36 N ATOM 3173 CA LYS B 57 19.264 0.759 6.945 1.00 0.39 C ATOM 3174 C LYS B 57 17.897 0.417 6.378 1.00 0.34 C ATOM 3175 O LYS B 57 16.922 0.318 7.110 1.00 0.41 O ATOM 3176 CB LYS B 57 19.625 2.204 6.588 1.00 0.44 C ATOM 3177 CG LYS B 57 20.960 2.660 7.151 1.00 0.54 C ATOM 3178 CD LYS B 57 21.304 4.070 6.696 1.00 0.61 C ATOM 3179 CE LYS B 57 22.626 4.532 7.290 1.00 0.79 C ATOM 3180 NZ LYS B 57 22.893 5.970 7.022 1.00 1.27 N ATOM 0 H LYS B 57 20.762 0.198 5.607 1.00 0.36 H new ATOM 0 HA LYS B 57 19.248 0.666 8.031 1.00 0.39 H new ATOM 0 HB2 LYS B 57 19.645 2.306 5.503 1.00 0.44 H new ATOM 0 HB3 LYS B 57 18.841 2.866 6.956 1.00 0.44 H new ATOM 0 HG2 LYS B 57 20.928 2.626 8.240 1.00 0.54 H new ATOM 0 HG3 LYS B 57 21.744 1.973 6.833 1.00 0.54 H new ATOM 0 HD2 LYS B 57 21.361 4.100 5.608 1.00 0.61 H new ATOM 0 HD3 LYS B 57 20.510 4.755 6.993 1.00 0.61 H new ATOM 0 HE2 LYS B 57 22.618 4.361 8.366 1.00 0.79 H new ATOM 0 HE3 LYS B 57 23.437 3.931 6.878 1.00 0.79 H new ATOM 0 HZ1 LYS B 57 23.804 6.239 7.446 1.00 1.27 H new ATOM 0 HZ2 LYS B 57 22.928 6.131 5.995 1.00 1.27 H new ATOM 0 HZ3 LYS B 57 22.134 6.547 7.438 1.00 1.27 H new ATOM 3194 N LEU B 58 17.854 0.203 5.066 1.00 0.27 N ATOM 3195 CA LEU B 58 16.603 -0.034 4.356 1.00 0.25 C ATOM 3196 C LEU B 58 15.821 -1.201 4.948 1.00 0.24 C ATOM 3197 O LEU B 58 14.700 -1.022 5.407 1.00 0.26 O ATOM 3198 CB LEU B 58 16.859 -0.280 2.870 1.00 0.22 C ATOM 3199 CG LEU B 58 15.590 -0.379 2.028 1.00 0.22 C ATOM 3200 CD1 LEU B 58 14.803 0.902 2.127 1.00 0.26 C ATOM 3201 CD2 LEU B 58 15.910 -0.662 0.580 1.00 0.23 C ATOM 0 H LEU B 58 18.681 0.189 4.469 1.00 0.27 H new ATOM 0 HA LEU B 58 15.999 0.866 4.471 1.00 0.25 H new ATOM 0 HB2 LEU B 58 17.479 0.528 2.480 1.00 0.22 H new ATOM 0 HB3 LEU B 58 17.429 -1.202 2.758 1.00 0.22 H new ATOM 0 HG LEU B 58 14.997 -1.207 2.417 1.00 0.22 H new ATOM 0 HD11 LEU B 58 13.899 0.821 1.523 1.00 0.26 H new ATOM 0 HD12 LEU B 58 14.529 1.082 3.167 1.00 0.26 H new ATOM 0 HD13 LEU B 58 15.410 1.731 1.763 1.00 0.26 H new ATOM 0 HD21 LEU B 58 14.984 -0.726 0.009 1.00 0.23 H new ATOM 0 HD22 LEU B 58 16.528 0.142 0.180 1.00 0.23 H new ATOM 0 HD23 LEU B 58 16.449 -1.606 0.504 1.00 0.23 H new ATOM 3213 N MET B 59 16.413 -2.388 4.934 1.00 0.24 N ATOM 3214 CA MET B 59 15.760 -3.581 5.473 1.00 0.27 C ATOM 3215 C MET B 59 15.272 -3.346 6.897 1.00 0.34 C ATOM 3216 O MET B 59 14.142 -3.681 7.234 1.00 0.41 O ATOM 3217 CB MET B 59 16.716 -4.777 5.438 1.00 0.28 C ATOM 3218 CG MET B 59 16.258 -5.972 6.268 1.00 0.30 C ATOM 3219 SD MET B 59 14.558 -6.458 5.927 1.00 0.31 S ATOM 3220 CE MET B 59 14.673 -6.927 4.209 1.00 0.25 C ATOM 0 H MET B 59 17.346 -2.554 4.555 1.00 0.24 H new ATOM 0 HA MET B 59 14.895 -3.799 4.847 1.00 0.27 H new ATOM 0 HB2 MET B 59 16.843 -5.096 4.403 1.00 0.28 H new ATOM 0 HB3 MET B 59 17.695 -4.455 5.795 1.00 0.28 H new ATOM 0 HG2 MET B 59 16.918 -6.817 6.072 1.00 0.30 H new ATOM 0 HG3 MET B 59 16.355 -5.730 7.326 1.00 0.30 H new ATOM 0 HE1 MET B 59 13.718 -7.335 3.879 1.00 0.25 H new ATOM 0 HE2 MET B 59 14.920 -6.052 3.609 1.00 0.25 H new ATOM 0 HE3 MET B 59 15.451 -7.681 4.089 1.00 0.25 H new ATOM 3230 N SER B 60 16.110 -2.735 7.710 1.00 0.39 N ATOM 3231 CA SER B 60 15.786 -2.522 9.108 1.00 0.51 C ATOM 3232 C SER B 60 14.738 -1.420 9.271 1.00 0.44 C ATOM 3233 O SER B 60 14.144 -1.269 10.337 1.00 0.51 O ATOM 3234 CB SER B 60 17.061 -2.181 9.879 1.00 0.70 C ATOM 3235 OG SER B 60 16.804 -2.027 11.263 1.00 1.36 O ATOM 0 H SER B 60 17.022 -2.376 7.427 1.00 0.39 H new ATOM 0 HA SER B 60 15.358 -3.439 9.514 1.00 0.51 H new ATOM 0 HB2 SER B 60 17.799 -2.969 9.730 1.00 0.70 H new ATOM 0 HB3 SER B 60 17.492 -1.261 9.483 1.00 0.70 H new ATOM 0 HG SER B 60 15.868 -1.767 11.395 1.00 1.36 H new ATOM 3241 N ASN B 61 14.514 -0.651 8.211 1.00 0.37 N ATOM 3242 CA ASN B 61 13.506 0.398 8.221 1.00 0.42 C ATOM 3243 C ASN B 61 12.182 -0.144 7.720 1.00 0.44 C ATOM 3244 O ASN B 61 11.157 0.525 7.801 1.00 0.64 O ATOM 3245 CB ASN B 61 13.964 1.609 7.404 1.00 0.46 C ATOM 3246 CG ASN B 61 14.958 2.466 8.170 1.00 0.47 C ATOM 3247 OD1 ASN B 61 15.655 1.984 9.064 1.00 0.96 O ATOM 3248 ND2 ASN B 61 15.037 3.742 7.833 1.00 0.92 N ATOM 0 H ASN B 61 15.021 -0.737 7.330 1.00 0.37 H new ATOM 0 HA ASN B 61 13.366 0.737 9.248 1.00 0.42 H new ATOM 0 HB2 ASN B 61 14.419 1.268 6.474 1.00 0.46 H new ATOM 0 HB3 ASN B 61 13.098 2.212 7.133 1.00 0.46 H new ATOM 0 HD21 ASN B 61 15.689 4.358 8.318 1.00 0.92 H new ATOM 0 HD22 ASN B 61 14.446 4.110 7.088 1.00 0.92 H new ATOM 3255 N LEU B 62 12.216 -1.357 7.190 1.00 0.33 N ATOM 3256 CA LEU B 62 10.998 -2.074 6.887 1.00 0.39 C ATOM 3257 C LEU B 62 10.719 -3.074 7.993 1.00 0.54 C ATOM 3258 O LEU B 62 9.740 -2.949 8.725 1.00 1.18 O ATOM 3259 CB LEU B 62 11.095 -2.796 5.540 1.00 0.35 C ATOM 3260 CG LEU B 62 10.844 -1.929 4.308 1.00 0.25 C ATOM 3261 CD1 LEU B 62 9.552 -1.152 4.474 1.00 0.24 C ATOM 3262 CD2 LEU B 62 12.004 -0.990 4.043 1.00 0.22 C ATOM 0 H LEU B 62 13.074 -1.860 6.963 1.00 0.33 H new ATOM 0 HA LEU B 62 10.181 -1.356 6.820 1.00 0.39 H new ATOM 0 HB2 LEU B 62 12.088 -3.238 5.455 1.00 0.35 H new ATOM 0 HB3 LEU B 62 10.379 -3.618 5.536 1.00 0.35 H new ATOM 0 HG LEU B 62 10.753 -2.587 3.444 1.00 0.25 H new ATOM 0 HD11 LEU B 62 9.381 -0.537 3.591 1.00 0.24 H new ATOM 0 HD12 LEU B 62 8.722 -1.848 4.597 1.00 0.24 H new ATOM 0 HD13 LEU B 62 9.623 -0.512 5.354 1.00 0.24 H new ATOM 0 HD21 LEU B 62 11.791 -0.389 3.159 1.00 0.22 H new ATOM 0 HD22 LEU B 62 12.145 -0.335 4.902 1.00 0.22 H new ATOM 0 HD23 LEU B 62 12.911 -1.571 3.876 1.00 0.22 H new ATOM 3274 N ASP B 63 11.626 -4.030 8.133 1.00 0.31 N ATOM 3275 CA ASP B 63 11.478 -5.120 9.084 1.00 0.33 C ATOM 3276 C ASP B 63 11.515 -4.602 10.520 1.00 0.37 C ATOM 3277 O ASP B 63 12.550 -4.128 10.998 1.00 0.43 O ATOM 3278 CB ASP B 63 12.593 -6.145 8.865 1.00 0.40 C ATOM 3279 CG ASP B 63 12.395 -7.428 9.646 1.00 0.38 C ATOM 3280 OD1 ASP B 63 11.378 -7.550 10.364 1.00 1.08 O ATOM 3281 OD2 ASP B 63 13.268 -8.314 9.554 1.00 1.15 O ATOM 0 H ASP B 63 12.487 -4.071 7.588 1.00 0.31 H new ATOM 0 HA ASP B 63 10.510 -5.595 8.922 1.00 0.33 H new ATOM 0 HB2 ASP B 63 12.655 -6.381 7.803 1.00 0.40 H new ATOM 0 HB3 ASP B 63 13.546 -5.699 9.149 1.00 0.40 H new ATOM 3286 N SER B 64 10.378 -4.682 11.192 1.00 0.43 N ATOM 3287 CA SER B 64 10.263 -4.234 12.569 1.00 0.52 C ATOM 3288 C SER B 64 10.788 -5.297 13.528 1.00 0.58 C ATOM 3289 O SER B 64 11.271 -4.985 14.617 1.00 0.71 O ATOM 3290 CB SER B 64 8.804 -3.921 12.889 1.00 0.67 C ATOM 3291 OG SER B 64 8.231 -3.115 11.878 1.00 1.14 O ATOM 0 H SER B 64 9.514 -5.057 10.801 1.00 0.43 H new ATOM 0 HA SER B 64 10.863 -3.332 12.692 1.00 0.52 H new ATOM 0 HB2 SER B 64 8.240 -4.849 12.984 1.00 0.67 H new ATOM 0 HB3 SER B 64 8.739 -3.409 13.849 1.00 0.67 H new ATOM 0 HG SER B 64 8.123 -3.644 11.060 1.00 1.14 H new ATOM 3297 N ASN B 65 10.695 -6.556 13.112 1.00 0.60 N ATOM 3298 CA ASN B 65 11.161 -7.668 13.928 1.00 0.75 C ATOM 3299 C ASN B 65 12.671 -7.802 13.793 1.00 0.76 C ATOM 3300 O ASN B 65 13.339 -8.375 14.655 1.00 0.91 O ATOM 3301 CB ASN B 65 10.468 -8.967 13.498 1.00 0.89 C ATOM 3302 CG ASN B 65 10.799 -10.141 14.399 1.00 1.52 C ATOM 3303 OD1 ASN B 65 11.748 -10.884 14.152 1.00 1.87 O ATOM 3304 ND2 ASN B 65 10.013 -10.321 15.449 1.00 2.34 N ATOM 0 H ASN B 65 10.300 -6.830 12.212 1.00 0.60 H new ATOM 0 HA ASN B 65 10.914 -7.476 14.972 1.00 0.75 H new ATOM 0 HB2 ASN B 65 9.389 -8.812 13.493 1.00 0.89 H new ATOM 0 HB3 ASN B 65 10.760 -9.207 12.476 1.00 0.89 H new ATOM 0 HD21 ASN B 65 10.185 -11.098 16.087 1.00 2.34 H new ATOM 0 HD22 ASN B 65 9.236 -9.683 15.620 1.00 2.34 H new ATOM 3311 N ARG B 66 13.189 -7.243 12.705 1.00 0.68 N ATOM 3312 CA ARG B 66 14.620 -7.222 12.427 1.00 0.81 C ATOM 3313 C ARG B 66 15.181 -8.635 12.369 1.00 0.88 C ATOM 3314 O ARG B 66 16.096 -8.997 13.111 1.00 1.11 O ATOM 3315 CB ARG B 66 15.360 -6.361 13.454 1.00 1.04 C ATOM 3316 CG ARG B 66 14.954 -4.898 13.383 1.00 1.10 C ATOM 3317 CD ARG B 66 15.727 -4.035 14.364 1.00 1.39 C ATOM 3318 NE ARG B 66 15.400 -2.621 14.197 1.00 2.08 N ATOM 3319 CZ ARG B 66 16.264 -1.624 14.370 1.00 2.77 C ATOM 3320 NH1 ARG B 66 17.501 -1.872 14.788 1.00 2.86 N ATOM 3321 NH2 ARG B 66 15.883 -0.373 14.132 1.00 3.79 N ATOM 0 H ARG B 66 12.624 -6.789 11.987 1.00 0.68 H new ATOM 0 HA ARG B 66 14.774 -6.769 11.448 1.00 0.81 H new ATOM 0 HB2 ARG B 66 15.160 -6.743 14.455 1.00 1.04 H new ATOM 0 HB3 ARG B 66 16.434 -6.446 13.289 1.00 1.04 H new ATOM 0 HG2 ARG B 66 15.116 -4.527 12.371 1.00 1.10 H new ATOM 0 HG3 ARG B 66 13.887 -4.809 13.588 1.00 1.10 H new ATOM 0 HD2 ARG B 66 15.499 -4.346 15.384 1.00 1.39 H new ATOM 0 HD3 ARG B 66 16.797 -4.183 14.218 1.00 1.39 H new ATOM 0 HE ARG B 66 14.445 -2.382 13.930 1.00 2.08 H new ATOM 0 HH11 ARG B 66 17.793 -2.831 14.978 1.00 2.86 H new ATOM 0 HH12 ARG B 66 18.159 -1.104 14.919 1.00 2.86 H new ATOM 0 HH21 ARG B 66 14.932 -0.181 13.818 1.00 3.79 H new ATOM 0 HH22 ARG B 66 16.542 0.395 14.263 1.00 3.79 H new ATOM 3335 N ASP B 67 14.616 -9.425 11.472 1.00 0.75 N ATOM 3336 CA ASP B 67 15.040 -10.797 11.263 1.00 0.88 C ATOM 3337 C ASP B 67 15.768 -10.877 9.933 1.00 0.77 C ATOM 3338 O ASP B 67 16.387 -11.888 9.599 1.00 0.96 O ATOM 3339 CB ASP B 67 13.829 -11.735 11.275 1.00 1.00 C ATOM 3340 CG ASP B 67 14.219 -13.197 11.369 1.00 1.39 C ATOM 3341 OD1 ASP B 67 14.649 -13.629 12.463 1.00 1.93 O ATOM 3342 OD2 ASP B 67 14.098 -13.921 10.362 1.00 1.95 O ATOM 0 H ASP B 67 13.849 -9.131 10.867 1.00 0.75 H new ATOM 0 HA ASP B 67 15.709 -11.108 12.066 1.00 0.88 H new ATOM 0 HB2 ASP B 67 13.186 -11.480 12.118 1.00 1.00 H new ATOM 0 HB3 ASP B 67 13.244 -11.577 10.369 1.00 1.00 H new ATOM 3347 N ASN B 68 15.684 -9.768 9.191 1.00 0.62 N ATOM 3348 CA ASN B 68 16.348 -9.610 7.897 1.00 0.55 C ATOM 3349 C ASN B 68 15.579 -10.339 6.811 1.00 0.43 C ATOM 3350 O ASN B 68 16.167 -10.941 5.910 1.00 0.57 O ATOM 3351 CB ASN B 68 17.816 -10.068 7.933 1.00 0.77 C ATOM 3352 CG ASN B 68 18.741 -9.051 8.582 1.00 1.30 C ATOM 3353 OD1 ASN B 68 18.232 -8.311 9.556 1.00 1.41 O flip ATOM 3354 ND2 ASN B 68 19.908 -8.935 8.212 1.00 2.22 N flip ATOM 0 H ASN B 68 15.148 -8.948 9.476 1.00 0.62 H new ATOM 0 HA ASN B 68 16.356 -8.545 7.666 1.00 0.55 H new ATOM 0 HB2 ASN B 68 17.883 -11.011 8.476 1.00 0.77 H new ATOM 0 HB3 ASN B 68 18.155 -10.262 6.915 1.00 0.77 H new ATOM 0 HD21 ASN B 68 20.265 -9.523 7.458 1.00 2.22 H new ATOM 0 HD22 ASN B 68 20.519 -8.251 8.659 1.00 2.22 H new ATOM 3361 N GLU B 69 14.260 -10.259 6.903 1.00 0.42 N ATOM 3362 CA GLU B 69 13.368 -10.778 5.879 1.00 0.42 C ATOM 3363 C GLU B 69 11.973 -10.201 6.081 1.00 0.39 C ATOM 3364 O GLU B 69 11.320 -10.440 7.099 1.00 0.54 O ATOM 3365 CB GLU B 69 13.327 -12.315 5.870 1.00 0.60 C ATOM 3366 CG GLU B 69 12.926 -12.948 7.194 1.00 1.04 C ATOM 3367 CD GLU B 69 12.740 -14.447 7.084 1.00 1.44 C ATOM 3368 OE1 GLU B 69 13.715 -15.146 6.740 1.00 2.09 O ATOM 3369 OE2 GLU B 69 11.616 -14.934 7.336 1.00 1.84 O ATOM 0 H GLU B 69 13.777 -9.831 7.693 1.00 0.42 H new ATOM 0 HA GLU B 69 13.753 -10.469 4.907 1.00 0.42 H new ATOM 0 HB2 GLU B 69 12.628 -12.642 5.100 1.00 0.60 H new ATOM 0 HB3 GLU B 69 14.311 -12.690 5.587 1.00 0.60 H new ATOM 0 HG2 GLU B 69 13.689 -12.733 7.942 1.00 1.04 H new ATOM 0 HG3 GLU B 69 11.999 -12.494 7.545 1.00 1.04 H new ATOM 3376 N VAL B 70 11.534 -9.420 5.115 1.00 0.28 N ATOM 3377 CA VAL B 70 10.262 -8.727 5.196 1.00 0.25 C ATOM 3378 C VAL B 70 9.081 -9.689 5.032 1.00 0.25 C ATOM 3379 O VAL B 70 9.018 -10.460 4.071 1.00 0.33 O ATOM 3380 CB VAL B 70 10.215 -7.587 4.149 1.00 0.26 C ATOM 3381 CG1 VAL B 70 8.805 -7.307 3.674 1.00 0.29 C ATOM 3382 CG2 VAL B 70 10.824 -6.326 4.734 1.00 0.30 C ATOM 0 H VAL B 70 12.048 -9.247 4.251 1.00 0.28 H new ATOM 0 HA VAL B 70 10.172 -8.289 6.190 1.00 0.25 H new ATOM 0 HB VAL B 70 10.793 -7.911 3.284 1.00 0.26 H new ATOM 0 HG11 VAL B 70 8.821 -6.500 2.941 1.00 0.29 H new ATOM 0 HG12 VAL B 70 8.390 -8.205 3.216 1.00 0.29 H new ATOM 0 HG13 VAL B 70 8.187 -7.014 4.522 1.00 0.29 H new ATOM 0 HG21 VAL B 70 10.788 -5.527 3.993 1.00 0.30 H new ATOM 0 HG22 VAL B 70 10.261 -6.026 5.618 1.00 0.30 H new ATOM 0 HG23 VAL B 70 11.861 -6.517 5.012 1.00 0.30 H new ATOM 3392 N ASP B 71 8.168 -9.646 6.006 1.00 0.25 N ATOM 3393 CA ASP B 71 6.961 -10.476 5.996 1.00 0.29 C ATOM 3394 C ASP B 71 5.878 -9.794 5.153 1.00 0.22 C ATOM 3395 O ASP B 71 6.128 -8.747 4.569 1.00 0.21 O ATOM 3396 CB ASP B 71 6.469 -10.706 7.435 1.00 0.42 C ATOM 3397 CG ASP B 71 5.491 -11.865 7.558 1.00 1.18 C ATOM 3398 OD1 ASP B 71 5.940 -13.008 7.763 1.00 2.06 O ATOM 3399 OD2 ASP B 71 4.268 -11.635 7.455 1.00 1.72 O ATOM 0 H ASP B 71 8.244 -9.037 6.821 1.00 0.25 H new ATOM 0 HA ASP B 71 7.189 -11.446 5.554 1.00 0.29 H new ATOM 0 HB2 ASP B 71 7.328 -10.894 8.080 1.00 0.42 H new ATOM 0 HB3 ASP B 71 5.991 -9.796 7.798 1.00 0.42 H new ATOM 3404 N PHE B 72 4.677 -10.362 5.105 1.00 0.21 N ATOM 3405 CA PHE B 72 3.653 -9.896 4.173 1.00 0.19 C ATOM 3406 C PHE B 72 3.177 -8.476 4.499 1.00 0.15 C ATOM 3407 O PHE B 72 3.247 -7.593 3.645 1.00 0.14 O ATOM 3408 CB PHE B 72 2.464 -10.859 4.142 1.00 0.21 C ATOM 3409 CG PHE B 72 1.656 -10.779 2.871 1.00 0.20 C ATOM 3410 CD1 PHE B 72 1.951 -9.839 1.892 1.00 1.18 C ATOM 3411 CD2 PHE B 72 0.606 -11.654 2.652 1.00 1.19 C ATOM 3412 CE1 PHE B 72 1.216 -9.774 0.725 1.00 1.20 C ATOM 3413 CE2 PHE B 72 -0.133 -11.593 1.487 1.00 1.20 C ATOM 3414 CZ PHE B 72 0.173 -10.652 0.523 1.00 0.32 C ATOM 0 H PHE B 72 4.389 -11.141 5.697 1.00 0.21 H new ATOM 0 HA PHE B 72 4.113 -9.870 3.185 1.00 0.19 H new ATOM 0 HB2 PHE B 72 2.829 -11.878 4.267 1.00 0.21 H new ATOM 0 HB3 PHE B 72 1.813 -10.647 4.990 1.00 0.21 H new ATOM 0 HD1 PHE B 72 2.767 -9.149 2.046 1.00 1.18 H new ATOM 0 HD2 PHE B 72 0.362 -12.393 3.401 1.00 1.19 H new ATOM 0 HE1 PHE B 72 1.458 -9.038 -0.027 1.00 1.20 H new ATOM 0 HE2 PHE B 72 -0.950 -12.281 1.330 1.00 1.20 H new ATOM 0 HZ PHE B 72 -0.405 -10.604 -0.388 1.00 0.32 H new ATOM 3424 N GLN B 73 2.693 -8.240 5.719 1.00 0.15 N ATOM 3425 CA GLN B 73 2.215 -6.906 6.073 1.00 0.14 C ATOM 3426 C GLN B 73 3.364 -5.914 6.034 1.00 0.12 C ATOM 3427 O GLN B 73 3.178 -4.765 5.650 1.00 0.13 O ATOM 3428 CB GLN B 73 1.525 -6.871 7.445 1.00 0.16 C ATOM 3429 CG GLN B 73 0.942 -5.516 7.784 1.00 0.26 C ATOM 3430 CD GLN B 73 0.350 -5.469 9.172 1.00 0.22 C ATOM 3431 OE1 GLN B 73 -0.187 -6.454 9.670 1.00 0.68 O ATOM 3432 NE2 GLN B 73 0.489 -4.331 9.821 1.00 0.60 N ATOM 0 H GLN B 73 2.623 -8.936 6.461 1.00 0.15 H new ATOM 0 HA GLN B 73 1.465 -6.625 5.334 1.00 0.14 H new ATOM 0 HB2 GLN B 73 0.730 -7.617 7.464 1.00 0.16 H new ATOM 0 HB3 GLN B 73 2.245 -7.153 8.214 1.00 0.16 H new ATOM 0 HG2 GLN B 73 1.721 -4.758 7.699 1.00 0.26 H new ATOM 0 HG3 GLN B 73 0.171 -5.264 7.056 1.00 0.26 H new ATOM 0 HE21 GLN B 73 0.942 -3.537 9.368 1.00 0.60 H new ATOM 0 HE22 GLN B 73 0.144 -4.243 10.777 1.00 0.60 H new ATOM 3441 N GLU B 74 4.558 -6.374 6.393 1.00 0.14 N ATOM 3442 CA GLU B 74 5.742 -5.530 6.351 1.00 0.17 C ATOM 3443 C GLU B 74 6.058 -5.159 4.907 1.00 0.14 C ATOM 3444 O GLU B 74 6.512 -4.055 4.614 1.00 0.16 O ATOM 3445 CB GLU B 74 6.937 -6.252 6.974 1.00 0.27 C ATOM 3446 CG GLU B 74 7.929 -5.314 7.637 1.00 0.38 C ATOM 3447 CD GLU B 74 7.447 -4.852 8.998 1.00 0.43 C ATOM 3448 OE1 GLU B 74 6.505 -4.041 9.060 1.00 1.10 O ATOM 3449 OE2 GLU B 74 8.002 -5.308 10.018 1.00 1.21 O ATOM 0 H GLU B 74 4.729 -7.326 6.716 1.00 0.14 H new ATOM 0 HA GLU B 74 5.546 -4.624 6.924 1.00 0.17 H new ATOM 0 HB2 GLU B 74 6.575 -6.967 7.713 1.00 0.27 H new ATOM 0 HB3 GLU B 74 7.450 -6.824 6.201 1.00 0.27 H new ATOM 0 HG2 GLU B 74 8.890 -5.818 7.744 1.00 0.38 H new ATOM 0 HG3 GLU B 74 8.093 -4.447 6.997 1.00 0.38 H new ATOM 3456 N TYR B 75 5.802 -6.100 4.011 1.00 0.14 N ATOM 3457 CA TYR B 75 5.982 -5.892 2.582 1.00 0.14 C ATOM 3458 C TYR B 75 5.001 -4.843 2.082 1.00 0.11 C ATOM 3459 O TYR B 75 5.335 -4.019 1.240 1.00 0.13 O ATOM 3460 CB TYR B 75 5.780 -7.229 1.846 1.00 0.16 C ATOM 3461 CG TYR B 75 5.938 -7.171 0.344 1.00 0.17 C ATOM 3462 CD1 TYR B 75 4.950 -6.626 -0.469 1.00 1.19 C ATOM 3463 CD2 TYR B 75 7.082 -7.668 -0.260 1.00 1.21 C ATOM 3464 CE1 TYR B 75 5.099 -6.576 -1.840 1.00 1.20 C ATOM 3465 CE2 TYR B 75 7.239 -7.621 -1.634 1.00 1.22 C ATOM 3466 CZ TYR B 75 6.244 -7.075 -2.417 1.00 0.22 C ATOM 3467 OH TYR B 75 6.393 -7.027 -3.783 1.00 0.26 O ATOM 0 H TYR B 75 5.463 -7.031 4.254 1.00 0.14 H new ATOM 0 HA TYR B 75 6.992 -5.531 2.386 1.00 0.14 H new ATOM 0 HB2 TYR B 75 6.492 -7.954 2.242 1.00 0.16 H new ATOM 0 HB3 TYR B 75 4.783 -7.604 2.075 1.00 0.16 H new ATOM 0 HD1 TYR B 75 4.050 -6.235 -0.019 1.00 1.19 H new ATOM 0 HD2 TYR B 75 7.862 -8.098 0.350 1.00 1.21 H new ATOM 0 HE1 TYR B 75 4.322 -6.148 -2.456 1.00 1.20 H new ATOM 0 HE2 TYR B 75 8.137 -8.010 -2.091 1.00 1.22 H new ATOM 0 HH TYR B 75 5.601 -6.613 -4.184 1.00 0.26 H new ATOM 3477 N CYS B 76 3.796 -4.867 2.617 1.00 0.11 N ATOM 3478 CA CYS B 76 2.762 -3.971 2.151 1.00 0.12 C ATOM 3479 C CYS B 76 2.820 -2.612 2.845 1.00 0.12 C ATOM 3480 O CYS B 76 2.577 -1.592 2.204 1.00 0.13 O ATOM 3481 CB CYS B 76 1.395 -4.621 2.333 1.00 0.14 C ATOM 3482 SG CYS B 76 1.239 -6.229 1.522 1.00 0.22 S ATOM 0 H CYS B 76 3.512 -5.494 3.370 1.00 0.11 H new ATOM 0 HA CYS B 76 2.932 -3.786 1.090 1.00 0.12 H new ATOM 0 HB2 CYS B 76 1.199 -4.741 3.398 1.00 0.14 H new ATOM 0 HB3 CYS B 76 0.629 -3.951 1.942 1.00 0.14 H new ATOM 0 HG CYS B 76 1.953 -7.108 2.161 1.00 0.22 H new ATOM 3488 N VAL B 77 3.135 -2.577 4.140 1.00 0.13 N ATOM 3489 CA VAL B 77 3.335 -1.295 4.815 1.00 0.14 C ATOM 3490 C VAL B 77 4.484 -0.578 4.134 1.00 0.14 C ATOM 3491 O VAL B 77 4.453 0.627 3.959 1.00 0.19 O ATOM 3492 CB VAL B 77 3.616 -1.438 6.334 1.00 0.16 C ATOM 3493 CG1 VAL B 77 4.805 -2.335 6.572 1.00 0.14 C ATOM 3494 CG2 VAL B 77 3.843 -0.078 6.994 1.00 0.20 C ATOM 0 H VAL B 77 3.255 -3.400 4.731 1.00 0.13 H new ATOM 0 HA VAL B 77 2.410 -0.724 4.736 1.00 0.14 H new ATOM 0 HB VAL B 77 2.734 -1.890 6.789 1.00 0.16 H new ATOM 0 HG11 VAL B 77 4.986 -2.423 7.643 1.00 0.14 H new ATOM 0 HG12 VAL B 77 4.605 -3.322 6.156 1.00 0.14 H new ATOM 0 HG13 VAL B 77 5.685 -1.909 6.089 1.00 0.14 H new ATOM 0 HG21 VAL B 77 4.037 -0.218 8.058 1.00 0.20 H new ATOM 0 HG22 VAL B 77 4.699 0.413 6.531 1.00 0.20 H new ATOM 0 HG23 VAL B 77 2.956 0.542 6.865 1.00 0.20 H new ATOM 3504 N PHE B 78 5.474 -1.358 3.722 1.00 0.11 N ATOM 3505 CA PHE B 78 6.537 -0.888 2.851 1.00 0.11 C ATOM 3506 C PHE B 78 5.957 -0.095 1.688 1.00 0.11 C ATOM 3507 O PHE B 78 6.340 1.046 1.432 1.00 0.11 O ATOM 3508 CB PHE B 78 7.302 -2.102 2.322 1.00 0.12 C ATOM 3509 CG PHE B 78 8.105 -1.838 1.089 1.00 0.12 C ATOM 3510 CD1 PHE B 78 9.398 -1.375 1.193 1.00 1.18 C ATOM 3511 CD2 PHE B 78 7.562 -2.057 -0.169 1.00 1.17 C ATOM 3512 CE1 PHE B 78 10.149 -1.132 0.061 1.00 1.18 C ATOM 3513 CE2 PHE B 78 8.300 -1.816 -1.305 1.00 1.18 C ATOM 3514 CZ PHE B 78 9.598 -1.351 -1.192 1.00 0.15 C ATOM 0 H PHE B 78 5.561 -2.340 3.985 1.00 0.11 H new ATOM 0 HA PHE B 78 7.208 -0.235 3.409 1.00 0.11 H new ATOM 0 HB2 PHE B 78 7.969 -2.465 3.104 1.00 0.12 H new ATOM 0 HB3 PHE B 78 6.591 -2.901 2.113 1.00 0.12 H new ATOM 0 HD1 PHE B 78 9.828 -1.201 2.168 1.00 1.18 H new ATOM 0 HD2 PHE B 78 6.549 -2.421 -0.257 1.00 1.17 H new ATOM 0 HE1 PHE B 78 11.163 -0.772 0.151 1.00 1.18 H new ATOM 0 HE2 PHE B 78 7.868 -1.989 -2.280 1.00 1.18 H new ATOM 0 HZ PHE B 78 10.182 -1.159 -2.080 1.00 0.15 H new ATOM 3524 N LEU B 79 5.015 -0.722 1.006 1.00 0.14 N ATOM 3525 CA LEU B 79 4.379 -0.144 -0.155 1.00 0.16 C ATOM 3526 C LEU B 79 3.631 1.125 0.181 1.00 0.17 C ATOM 3527 O LEU B 79 3.779 2.146 -0.491 1.00 0.20 O ATOM 3528 CB LEU B 79 3.426 -1.150 -0.772 1.00 0.15 C ATOM 3529 CG LEU B 79 4.049 -2.045 -1.824 1.00 0.15 C ATOM 3530 CD1 LEU B 79 3.990 -3.497 -1.409 1.00 0.19 C ATOM 3531 CD2 LEU B 79 3.334 -1.835 -3.125 1.00 0.14 C ATOM 0 H LEU B 79 4.671 -1.651 1.247 1.00 0.14 H new ATOM 0 HA LEU B 79 5.164 0.113 -0.867 1.00 0.16 H new ATOM 0 HB2 LEU B 79 3.015 -1.775 0.021 1.00 0.15 H new ATOM 0 HB3 LEU B 79 2.590 -0.612 -1.220 1.00 0.15 H new ATOM 0 HG LEU B 79 5.101 -1.784 -1.939 1.00 0.15 H new ATOM 0 HD11 LEU B 79 4.444 -4.115 -2.183 1.00 0.19 H new ATOM 0 HD12 LEU B 79 4.533 -3.630 -0.473 1.00 0.19 H new ATOM 0 HD13 LEU B 79 2.950 -3.794 -1.271 1.00 0.19 H new ATOM 0 HD21 LEU B 79 3.775 -2.475 -3.890 1.00 0.14 H new ATOM 0 HD22 LEU B 79 2.280 -2.086 -3.005 1.00 0.14 H new ATOM 0 HD23 LEU B 79 3.427 -0.792 -3.427 1.00 0.14 H new ATOM 3543 N SER B 80 2.845 1.074 1.231 1.00 0.19 N ATOM 3544 CA SER B 80 2.030 2.205 1.589 1.00 0.21 C ATOM 3545 C SER B 80 2.905 3.316 2.122 1.00 0.20 C ATOM 3546 O SER B 80 2.585 4.486 2.003 1.00 0.24 O ATOM 3547 CB SER B 80 0.981 1.775 2.597 1.00 0.22 C ATOM 3548 OG SER B 80 1.513 0.854 3.529 1.00 0.18 O ATOM 0 H SER B 80 2.754 0.266 1.847 1.00 0.19 H new ATOM 0 HA SER B 80 1.511 2.587 0.710 1.00 0.21 H new ATOM 0 HB2 SER B 80 0.599 2.650 3.124 1.00 0.22 H new ATOM 0 HB3 SER B 80 0.137 1.323 2.076 1.00 0.22 H new ATOM 0 HG SER B 80 0.797 0.271 3.858 1.00 0.18 H new ATOM 3554 N CYS B 81 4.040 2.932 2.666 1.00 0.17 N ATOM 3555 CA CYS B 81 5.026 3.883 3.121 1.00 0.18 C ATOM 3556 C CYS B 81 5.752 4.529 1.957 1.00 0.33 C ATOM 3557 O CYS B 81 6.438 5.519 2.144 1.00 0.72 O ATOM 3558 CB CYS B 81 6.006 3.218 4.067 1.00 0.30 C ATOM 3559 SG CYS B 81 5.242 2.730 5.625 1.00 1.83 S ATOM 0 H CYS B 81 4.303 1.956 2.804 1.00 0.17 H new ATOM 0 HA CYS B 81 4.505 4.674 3.661 1.00 0.18 H new ATOM 0 HB2 CYS B 81 6.432 2.338 3.584 1.00 0.30 H new ATOM 0 HB3 CYS B 81 6.831 3.901 4.269 1.00 0.30 H new ATOM 0 HG CYS B 81 4.533 1.656 5.443 1.00 1.83 H new ATOM 3565 N ILE B 82 5.634 3.956 0.768 1.00 0.17 N ATOM 3566 CA ILE B 82 6.106 4.634 -0.426 1.00 0.19 C ATOM 3567 C ILE B 82 5.029 5.581 -0.931 1.00 0.21 C ATOM 3568 O ILE B 82 5.233 6.789 -1.009 1.00 0.28 O ATOM 3569 CB ILE B 82 6.492 3.674 -1.574 1.00 0.19 C ATOM 3570 CG1 ILE B 82 7.566 2.685 -1.122 1.00 0.24 C ATOM 3571 CG2 ILE B 82 6.979 4.475 -2.776 1.00 0.24 C ATOM 3572 CD1 ILE B 82 8.437 2.180 -2.256 1.00 0.41 C ATOM 0 H ILE B 82 5.222 3.037 0.607 1.00 0.17 H new ATOM 0 HA ILE B 82 7.009 5.170 -0.135 1.00 0.19 H new ATOM 0 HB ILE B 82 5.609 3.103 -1.860 1.00 0.19 H new ATOM 0 HG12 ILE B 82 8.198 3.164 -0.374 1.00 0.24 H new ATOM 0 HG13 ILE B 82 7.086 1.835 -0.637 1.00 0.24 H new ATOM 0 HG21 ILE B 82 7.250 3.793 -3.582 1.00 0.24 H new ATOM 0 HG22 ILE B 82 6.186 5.141 -3.115 1.00 0.24 H new ATOM 0 HG23 ILE B 82 7.851 5.065 -2.491 1.00 0.24 H new ATOM 0 HD11 ILE B 82 9.177 1.483 -1.864 1.00 0.41 H new ATOM 0 HD12 ILE B 82 7.816 1.673 -2.994 1.00 0.41 H new ATOM 0 HD13 ILE B 82 8.945 3.021 -2.727 1.00 0.41 H new ATOM 3584 N ALA B 83 3.869 5.024 -1.239 1.00 0.26 N ATOM 3585 CA ALA B 83 2.772 5.797 -1.798 1.00 0.32 C ATOM 3586 C ALA B 83 2.356 6.934 -0.871 1.00 0.32 C ATOM 3587 O ALA B 83 2.166 8.065 -1.312 1.00 0.35 O ATOM 3588 CB ALA B 83 1.591 4.893 -2.087 1.00 0.42 C ATOM 0 H ALA B 83 3.662 4.033 -1.110 1.00 0.26 H new ATOM 0 HA ALA B 83 3.118 6.242 -2.731 1.00 0.32 H new ATOM 0 HB1 ALA B 83 0.775 5.483 -2.505 1.00 0.42 H new ATOM 0 HB2 ALA B 83 1.887 4.125 -2.801 1.00 0.42 H new ATOM 0 HB3 ALA B 83 1.260 4.420 -1.162 1.00 0.42 H new ATOM 3594 N MET B 84 2.239 6.638 0.415 1.00 0.33 N ATOM 3595 CA MET B 84 1.850 7.643 1.390 1.00 0.36 C ATOM 3596 C MET B 84 2.984 8.622 1.649 1.00 0.36 C ATOM 3597 O MET B 84 2.749 9.786 1.970 1.00 0.48 O ATOM 3598 CB MET B 84 1.403 6.996 2.685 1.00 0.38 C ATOM 3599 CG MET B 84 1.099 7.983 3.793 1.00 0.44 C ATOM 3600 SD MET B 84 1.011 7.154 5.381 1.00 0.38 S ATOM 3601 CE MET B 84 2.372 6.022 5.147 1.00 0.22 C ATOM 0 H MET B 84 2.408 5.711 0.806 1.00 0.33 H new ATOM 0 HA MET B 84 1.009 8.199 0.975 1.00 0.36 H new ATOM 0 HB2 MET B 84 0.513 6.397 2.492 1.00 0.38 H new ATOM 0 HB3 MET B 84 2.180 6.312 3.025 1.00 0.38 H new ATOM 0 HG2 MET B 84 1.871 8.752 3.822 1.00 0.44 H new ATOM 0 HG3 MET B 84 0.154 8.486 3.588 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.730 5.678 6.117 1.00 0.22 H new ATOM 0 HE2 MET B 84 2.037 5.167 4.560 1.00 0.22 H new ATOM 0 HE3 MET B 84 3.181 6.529 4.621 1.00 0.22 H new ATOM 3611 N MET B 85 4.214 8.149 1.507 1.00 0.28 N ATOM 3612 CA MET B 85 5.374 9.018 1.600 1.00 0.29 C ATOM 3613 C MET B 85 5.306 10.077 0.506 1.00 0.34 C ATOM 3614 O MET B 85 5.657 11.238 0.713 1.00 0.48 O ATOM 3615 CB MET B 85 6.642 8.206 1.440 1.00 0.28 C ATOM 3616 CG MET B 85 7.896 9.009 1.684 1.00 0.32 C ATOM 3617 SD MET B 85 9.304 8.413 0.720 1.00 0.29 S ATOM 3618 CE MET B 85 9.361 6.723 1.295 1.00 0.25 C ATOM 0 H MET B 85 4.432 7.169 1.327 1.00 0.28 H new ATOM 0 HA MET B 85 5.380 9.502 2.577 1.00 0.29 H new ATOM 0 HB2 MET B 85 6.617 7.364 2.132 1.00 0.28 H new ATOM 0 HB3 MET B 85 6.675 7.790 0.433 1.00 0.28 H new ATOM 0 HG2 MET B 85 7.708 10.054 1.437 1.00 0.32 H new ATOM 0 HG3 MET B 85 8.145 8.973 2.744 1.00 0.32 H new ATOM 0 HE1 MET B 85 10.390 6.454 1.532 1.00 0.25 H new ATOM 0 HE2 MET B 85 8.744 6.622 2.188 1.00 0.25 H new ATOM 0 HE3 MET B 85 8.983 6.061 0.516 1.00 0.25 H new ATOM 3628 N CYS B 86 4.810 9.650 -0.652 1.00 0.31 N ATOM 3629 CA CYS B 86 4.708 10.488 -1.839 1.00 0.34 C ATOM 3630 C CYS B 86 3.744 11.657 -1.639 1.00 0.39 C ATOM 3631 O CYS B 86 3.768 12.620 -2.403 1.00 0.46 O ATOM 3632 CB CYS B 86 4.249 9.639 -3.023 1.00 0.39 C ATOM 3633 SG CYS B 86 4.111 10.554 -4.569 1.00 0.94 S ATOM 0 H CYS B 86 4.464 8.701 -0.792 1.00 0.31 H new ATOM 0 HA CYS B 86 5.695 10.908 -2.035 1.00 0.34 H new ATOM 0 HB2 CYS B 86 4.950 8.816 -3.161 1.00 0.39 H new ATOM 0 HB3 CYS B 86 3.281 9.197 -2.787 1.00 0.39 H new ATOM 0 HG CYS B 86 5.203 11.229 -4.773 1.00 0.94 H new ATOM 3639 N ASN B 87 2.890 11.560 -0.626 1.00 0.45 N ATOM 3640 CA ASN B 87 1.902 12.601 -0.329 1.00 0.58 C ATOM 3641 C ASN B 87 2.515 13.999 -0.364 1.00 0.68 C ATOM 3642 O ASN B 87 2.010 14.896 -1.030 1.00 0.89 O ATOM 3643 CB ASN B 87 1.277 12.358 1.048 1.00 0.72 C ATOM 3644 CG ASN B 87 0.312 13.454 1.464 1.00 1.10 C ATOM 3645 OD1 ASN B 87 -0.344 14.071 0.631 1.00 1.72 O ATOM 3646 ND2 ASN B 87 0.229 13.711 2.762 1.00 1.77 N ATOM 0 H ASN B 87 2.859 10.764 0.011 1.00 0.45 H new ATOM 0 HA ASN B 87 1.136 12.547 -1.102 1.00 0.58 H new ATOM 0 HB2 ASN B 87 0.751 11.403 1.039 1.00 0.72 H new ATOM 0 HB3 ASN B 87 2.070 12.278 1.792 1.00 0.72 H new ATOM 0 HD21 ASN B 87 -0.396 14.443 3.098 1.00 1.77 H new ATOM 0 HD22 ASN B 87 0.791 13.176 3.425 1.00 1.77 H new ATOM 3653 N GLU B 88 3.621 14.178 0.330 1.00 0.70 N ATOM 3654 CA GLU B 88 4.229 15.494 0.425 1.00 0.89 C ATOM 3655 C GLU B 88 4.967 15.862 -0.862 1.00 0.86 C ATOM 3656 O GLU B 88 5.265 17.030 -1.105 1.00 1.06 O ATOM 3657 CB GLU B 88 5.161 15.573 1.629 1.00 1.03 C ATOM 3658 CG GLU B 88 6.331 14.609 1.598 1.00 1.51 C ATOM 3659 CD GLU B 88 7.293 14.866 2.734 1.00 1.72 C ATOM 3660 OE1 GLU B 88 8.085 15.824 2.630 1.00 2.33 O ATOM 3661 OE2 GLU B 88 7.242 14.137 3.743 1.00 1.98 O ATOM 0 H GLU B 88 4.114 13.440 0.832 1.00 0.70 H new ATOM 0 HA GLU B 88 3.429 16.221 0.564 1.00 0.89 H new ATOM 0 HB2 GLU B 88 5.549 16.589 1.703 1.00 1.03 H new ATOM 0 HB3 GLU B 88 4.580 15.387 2.532 1.00 1.03 H new ATOM 0 HG2 GLU B 88 5.961 13.585 1.658 1.00 1.51 H new ATOM 0 HG3 GLU B 88 6.856 14.703 0.647 1.00 1.51 H new ATOM 3668 N PHE B 89 5.257 14.861 -1.678 1.00 0.69 N ATOM 3669 CA PHE B 89 5.957 15.067 -2.943 1.00 0.71 C ATOM 3670 C PHE B 89 4.989 15.355 -4.090 1.00 0.73 C ATOM 3671 O PHE B 89 4.910 16.485 -4.574 1.00 0.88 O ATOM 3672 CB PHE B 89 6.793 13.835 -3.281 1.00 0.69 C ATOM 3673 CG PHE B 89 7.890 13.579 -2.294 1.00 0.91 C ATOM 3674 CD1 PHE B 89 9.115 14.210 -2.423 1.00 1.65 C ATOM 3675 CD2 PHE B 89 7.693 12.712 -1.235 1.00 1.53 C ATOM 3676 CE1 PHE B 89 10.125 13.980 -1.511 1.00 1.99 C ATOM 3677 CE2 PHE B 89 8.698 12.477 -0.320 1.00 1.89 C ATOM 3678 CZ PHE B 89 9.916 13.113 -0.458 1.00 1.81 C ATOM 0 H PHE B 89 5.017 13.888 -1.487 1.00 0.69 H new ATOM 0 HA PHE B 89 6.604 15.936 -2.822 1.00 0.71 H new ATOM 0 HB2 PHE B 89 6.141 12.962 -3.325 1.00 0.69 H new ATOM 0 HB3 PHE B 89 7.227 13.959 -4.273 1.00 0.69 H new ATOM 0 HD1 PHE B 89 9.282 14.889 -3.246 1.00 1.65 H new ATOM 0 HD2 PHE B 89 6.742 12.213 -1.123 1.00 1.53 H new ATOM 0 HE1 PHE B 89 11.077 14.478 -1.621 1.00 1.99 H new ATOM 0 HE2 PHE B 89 8.533 11.797 0.503 1.00 1.89 H new ATOM 0 HZ PHE B 89 10.704 12.932 0.258 1.00 1.81 H new ATOM 3688 N PHE B 90 4.243 14.334 -4.501 1.00 0.63 N ATOM 3689 CA PHE B 90 3.361 14.431 -5.661 1.00 0.66 C ATOM 3690 C PHE B 90 2.150 15.306 -5.365 1.00 0.69 C ATOM 3691 O PHE B 90 1.858 16.250 -6.104 1.00 0.83 O ATOM 3692 CB PHE B 90 2.911 13.033 -6.097 1.00 0.69 C ATOM 3693 CG PHE B 90 1.906 13.034 -7.217 1.00 0.95 C ATOM 3694 CD1 PHE B 90 2.321 13.138 -8.535 1.00 1.79 C ATOM 3695 CD2 PHE B 90 0.548 12.924 -6.953 1.00 1.44 C ATOM 3696 CE1 PHE B 90 1.402 13.135 -9.567 1.00 2.09 C ATOM 3697 CE2 PHE B 90 -0.374 12.920 -7.982 1.00 1.68 C ATOM 3698 CZ PHE B 90 0.053 13.026 -9.292 1.00 1.67 C ATOM 0 H PHE B 90 4.232 13.422 -4.044 1.00 0.63 H new ATOM 0 HA PHE B 90 3.920 14.897 -6.472 1.00 0.66 H new ATOM 0 HB2 PHE B 90 3.786 12.462 -6.408 1.00 0.69 H new ATOM 0 HB3 PHE B 90 2.482 12.517 -5.238 1.00 0.69 H new ATOM 0 HD1 PHE B 90 3.374 13.222 -8.758 1.00 1.79 H new ATOM 0 HD2 PHE B 90 0.208 12.841 -5.931 1.00 1.44 H new ATOM 0 HE1 PHE B 90 1.739 13.218 -10.590 1.00 2.09 H new ATOM 0 HE2 PHE B 90 -1.428 12.834 -7.763 1.00 1.68 H new ATOM 0 HZ PHE B 90 -0.666 13.024 -10.098 1.00 1.67 H new