USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 565 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 54 GLN :FLIP amide:sc= -0.362 F(o=-3.2,f=0.59) USER MOD Set 1.2: A 55 ASN :FLIP amide:sc= 0.951 F(o=-1.2,f=0.59) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00905 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.322 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.786 F(o=-1.7!,f=-0.79) USER MOD Single : A 27 ASN : amide:sc=-0.00352 X(o=-0.0035,f=0) USER MOD Single : A 30 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 12:sc= 0.478 USER MOD Single : A 61 ASN : amide:sc= -1.81 K(o=-1.8,f=-15!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.372! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.0086) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -11.029 5.750 4.882 1.00 0.00 N ATOM 49 CA SER A 6 -9.790 6.436 4.558 1.00 0.00 C ATOM 50 C SER A 6 -9.689 6.649 3.046 1.00 0.00 C ATOM 51 O SER A 6 -9.291 7.720 2.592 1.00 0.00 O ATOM 52 CB SER A 6 -8.577 5.653 5.066 1.00 0.00 C ATOM 53 OG SER A 6 -8.085 6.171 6.298 1.00 0.00 O ATOM 0 HA SER A 6 -9.797 7.406 5.055 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.850 4.606 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.785 5.685 4.317 1.00 0.00 H new ATOM 0 HG SER A 6 -7.312 5.643 6.589 1.00 0.00 H new ATOM 59 N GLY A 7 -10.057 5.611 2.309 1.00 0.00 N ATOM 60 CA GLY A 7 -10.014 5.671 0.858 1.00 0.00 C ATOM 61 C GLY A 7 -10.847 6.842 0.332 1.00 0.00 C ATOM 62 O GLY A 7 -10.582 7.360 -0.751 1.00 0.00 O ATOM 0 H GLY A 7 -10.386 4.724 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.981 5.776 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.389 4.737 0.441 1.00 0.00 H new ATOM 66 N ALA A 8 -11.838 7.224 1.125 1.00 0.00 N ATOM 67 CA ALA A 8 -12.712 8.324 0.752 1.00 0.00 C ATOM 68 C ALA A 8 -12.149 9.630 1.316 1.00 0.00 C ATOM 69 O ALA A 8 -12.172 10.661 0.645 1.00 0.00 O ATOM 70 CB ALA A 8 -14.131 8.038 1.248 1.00 0.00 C ATOM 0 H ALA A 8 -12.055 6.792 2.023 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.760 8.427 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.787 8.862 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.495 7.115 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.123 7.932 2.333 1.00 0.00 H new ATOM 76 N SER A 9 -11.657 9.544 2.543 1.00 0.00 N ATOM 77 CA SER A 9 -11.089 10.707 3.205 1.00 0.00 C ATOM 78 C SER A 9 -9.805 11.138 2.494 1.00 0.00 C ATOM 79 O SER A 9 -9.531 12.331 2.370 1.00 0.00 O ATOM 80 CB SER A 9 -10.807 10.417 4.681 1.00 0.00 C ATOM 81 OG SER A 9 -11.776 9.539 5.247 1.00 0.00 O ATOM 0 H SER A 9 -11.640 8.687 3.096 1.00 0.00 H new ATOM 0 HA SER A 9 -11.815 11.519 3.154 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.815 9.975 4.781 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.796 11.353 5.239 1.00 0.00 H new ATOM 0 HG SER A 9 -11.560 9.377 6.189 1.00 0.00 H new ATOM 87 N LEU A 10 -9.053 10.145 2.045 1.00 0.00 N ATOM 88 CA LEU A 10 -7.804 10.407 1.350 1.00 0.00 C ATOM 89 C LEU A 10 -8.029 11.497 0.300 1.00 0.00 C ATOM 90 O LEU A 10 -7.142 12.309 0.044 1.00 0.00 O ATOM 91 CB LEU A 10 -7.228 9.111 0.777 1.00 0.00 C ATOM 92 CG LEU A 10 -6.478 8.215 1.765 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.299 6.805 1.200 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.143 8.843 2.171 1.00 0.00 C ATOM 0 H LEU A 10 -9.284 9.157 2.149 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.053 10.783 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.045 8.535 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.550 9.367 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.080 8.126 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.763 6.189 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.277 6.365 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.729 6.855 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.630 8.186 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.522 8.983 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.324 9.809 2.643 1.00 0.00 H new ATOM 106 N LEU A 11 -9.221 11.480 -0.279 1.00 0.00 N ATOM 107 CA LEU A 11 -9.574 12.456 -1.295 1.00 0.00 C ATOM 108 C LEU A 11 -9.437 13.864 -0.712 1.00 0.00 C ATOM 109 O LEU A 11 -8.961 14.776 -1.387 1.00 0.00 O ATOM 110 CB LEU A 11 -10.962 12.159 -1.864 1.00 0.00 C ATOM 111 CG LEU A 11 -11.076 10.906 -2.734 1.00 0.00 C ATOM 112 CD1 LEU A 11 -10.651 9.658 -1.957 1.00 0.00 C ATOM 113 CD2 LEU A 11 -12.484 10.767 -3.315 1.00 0.00 C ATOM 0 H LEU A 11 -9.955 10.805 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.888 12.392 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.661 12.065 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.282 13.017 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.390 11.011 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.742 8.782 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.616 9.766 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.293 9.537 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.537 9.868 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.207 10.695 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.712 11.639 -3.928 1.00 0.00 H new ATOM 125 N ALA A 12 -9.862 13.998 0.536 1.00 0.00 N ATOM 126 CA ALA A 12 -9.793 15.279 1.217 1.00 0.00 C ATOM 127 C ALA A 12 -8.428 15.418 1.895 1.00 0.00 C ATOM 128 O ALA A 12 -7.802 16.475 1.828 1.00 0.00 O ATOM 129 CB ALA A 12 -10.951 15.393 2.210 1.00 0.00 C ATOM 0 H ALA A 12 -10.256 13.240 1.093 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.893 16.098 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.899 16.354 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.898 15.317 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.883 14.589 2.943 1.00 0.00 H new ATOM 135 N ARG A 13 -8.007 14.336 2.533 1.00 0.00 N ATOM 136 CA ARG A 13 -6.728 14.325 3.222 1.00 0.00 C ATOM 137 C ARG A 13 -5.607 14.742 2.268 1.00 0.00 C ATOM 138 O ARG A 13 -4.692 15.466 2.658 1.00 0.00 O ATOM 139 CB ARG A 13 -6.418 12.936 3.786 1.00 0.00 C ATOM 140 CG ARG A 13 -6.352 12.967 5.314 1.00 0.00 C ATOM 141 CD ARG A 13 -5.756 11.669 5.863 1.00 0.00 C ATOM 142 NE ARG A 13 -5.035 11.938 7.128 1.00 0.00 N ATOM 143 CZ ARG A 13 -4.547 10.984 7.931 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.698 9.692 7.607 1.00 0.00 N ATOM 145 NH2 ARG A 13 -3.907 11.321 9.059 1.00 0.00 N ATOM 0 H ARG A 13 -8.529 13.461 2.587 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.790 15.035 4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.184 12.230 3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.469 12.580 3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.748 13.814 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.352 13.113 5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.548 10.940 6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.075 11.234 5.132 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.902 12.911 7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.185 9.435 6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.326 8.966 8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.792 12.304 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.535 10.595 9.671 1.00 0.00 H new ATOM 159 N TYR A 14 -5.714 14.267 1.036 1.00 0.00 N ATOM 160 CA TYR A 14 -4.721 14.582 0.024 1.00 0.00 C ATOM 161 C TYR A 14 -5.379 15.173 -1.225 1.00 0.00 C ATOM 162 O TYR A 14 -6.576 14.993 -1.445 1.00 0.00 O ATOM 163 CB TYR A 14 -4.058 13.253 -0.345 1.00 0.00 C ATOM 164 CG TYR A 14 -3.214 12.646 0.778 1.00 0.00 C ATOM 165 CD1 TYR A 14 -1.889 13.004 0.915 1.00 0.00 C ATOM 166 CD2 TYR A 14 -3.779 11.741 1.654 1.00 0.00 C ATOM 167 CE1 TYR A 14 -1.094 12.433 1.972 1.00 0.00 C ATOM 168 CE2 TYR A 14 -2.985 11.170 2.711 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.682 11.544 2.818 1.00 0.00 C ATOM 170 OH TYR A 14 -0.932 11.005 3.816 1.00 0.00 O ATOM 0 H TYR A 14 -6.474 13.666 0.716 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.008 15.315 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.831 12.540 -0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.426 13.405 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.447 13.712 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.817 11.461 1.547 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.055 12.704 2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.415 10.461 3.403 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.482 10.388 4.342 1.00 0.00 H new ATOM 180 N PRO A 15 -4.546 15.885 -2.031 1.00 0.00 N ATOM 181 CA PRO A 15 -5.035 16.503 -3.252 1.00 0.00 C ATOM 182 C PRO A 15 -5.256 15.457 -4.346 1.00 0.00 C ATOM 183 O PRO A 15 -4.831 14.311 -4.209 1.00 0.00 O ATOM 184 CB PRO A 15 -3.980 17.534 -3.620 1.00 0.00 C ATOM 185 CG PRO A 15 -2.725 17.136 -2.859 1.00 0.00 C ATOM 186 CD PRO A 15 -3.124 16.119 -1.803 1.00 0.00 C ATOM 0 HA PRO A 15 -6.008 16.976 -3.123 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.799 17.541 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.302 18.538 -3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.985 16.711 -3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.267 18.009 -2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.550 15.198 -1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.942 16.500 -0.798 1.00 0.00 H new ATOM 194 N PRO A 16 -5.938 15.901 -5.436 1.00 0.00 N ATOM 195 CA PRO A 16 -6.221 15.016 -6.553 1.00 0.00 C ATOM 196 C PRO A 16 -4.965 14.776 -7.394 1.00 0.00 C ATOM 197 O PRO A 16 -4.876 13.782 -8.112 1.00 0.00 O ATOM 198 CB PRO A 16 -7.332 15.704 -7.328 1.00 0.00 C ATOM 199 CG PRO A 16 -7.310 17.159 -6.886 1.00 0.00 C ATOM 200 CD PRO A 16 -6.456 17.252 -5.632 1.00 0.00 C ATOM 0 HA PRO A 16 -6.533 14.022 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.169 15.620 -8.402 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.298 15.246 -7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.901 17.791 -7.674 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.321 17.513 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.647 17.972 -5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.045 17.579 -4.775 1.00 0.00 H new ATOM 208 N GLU A 17 -4.027 15.704 -7.276 1.00 0.00 N ATOM 209 CA GLU A 17 -2.780 15.605 -8.016 1.00 0.00 C ATOM 210 C GLU A 17 -1.831 14.621 -7.329 1.00 0.00 C ATOM 211 O GLU A 17 -0.742 14.349 -7.832 1.00 0.00 O ATOM 212 CB GLU A 17 -2.126 16.979 -8.173 1.00 0.00 C ATOM 213 CG GLU A 17 -2.127 17.742 -6.847 1.00 0.00 C ATOM 214 CD GLU A 17 -0.824 18.521 -6.661 1.00 0.00 C ATOM 215 OE1 GLU A 17 0.235 17.940 -6.983 1.00 0.00 O ATOM 216 OE2 GLU A 17 -0.916 19.680 -6.202 1.00 0.00 O ATOM 0 H GLU A 17 -4.105 16.528 -6.679 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.001 15.228 -9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.102 16.860 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.660 17.555 -8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.973 18.429 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.258 17.043 -6.021 1.00 0.00 H new ATOM 223 N LYS A 18 -2.278 14.116 -6.189 1.00 0.00 N ATOM 224 CA LYS A 18 -1.482 13.168 -5.427 1.00 0.00 C ATOM 225 C LYS A 18 -2.358 11.981 -5.024 1.00 0.00 C ATOM 226 O LYS A 18 -1.950 11.150 -4.213 1.00 0.00 O ATOM 227 CB LYS A 18 -0.807 13.864 -4.244 1.00 0.00 C ATOM 228 CG LYS A 18 -0.196 15.201 -4.670 1.00 0.00 C ATOM 229 CD LYS A 18 0.547 15.860 -3.506 1.00 0.00 C ATOM 230 CE LYS A 18 1.511 16.936 -4.010 1.00 0.00 C ATOM 231 NZ LYS A 18 1.681 17.997 -2.993 1.00 0.00 N ATOM 0 H LYS A 18 -3.181 14.345 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.671 12.773 -6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.536 14.030 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.030 13.219 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.491 15.043 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.982 15.866 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.171 16.304 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.100 15.104 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.477 16.488 -4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.131 17.369 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.338 18.719 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.760 18.436 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.065 17.583 -2.120 1.00 0.00 H new ATOM 245 N LEU A 19 -3.547 11.938 -5.607 1.00 0.00 N ATOM 246 CA LEU A 19 -4.485 10.866 -5.319 1.00 0.00 C ATOM 247 C LEU A 19 -4.219 9.694 -6.265 1.00 0.00 C ATOM 248 O LEU A 19 -4.482 9.787 -7.463 1.00 0.00 O ATOM 249 CB LEU A 19 -5.923 11.384 -5.370 1.00 0.00 C ATOM 250 CG LEU A 19 -6.520 11.840 -4.036 1.00 0.00 C ATOM 251 CD1 LEU A 19 -7.833 12.594 -4.252 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.689 10.658 -3.079 1.00 0.00 C ATOM 0 H LEU A 19 -3.883 12.629 -6.278 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.341 10.496 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.962 12.220 -6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.557 10.598 -5.779 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.822 12.536 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.236 12.907 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.651 13.472 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.550 11.941 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.115 11.009 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.355 9.920 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.717 10.202 -2.889 1.00 0.00 H new ATOM 264 N PHE A 20 -3.703 8.617 -5.692 1.00 0.00 N ATOM 265 CA PHE A 20 -3.399 7.428 -6.469 1.00 0.00 C ATOM 266 C PHE A 20 -4.002 6.180 -5.821 1.00 0.00 C ATOM 267 O PHE A 20 -4.009 6.053 -4.598 1.00 0.00 O ATOM 268 CB PHE A 20 -1.876 7.288 -6.497 1.00 0.00 C ATOM 269 CG PHE A 20 -1.187 8.182 -7.530 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.164 7.815 -8.839 1.00 0.00 C ATOM 271 CD2 PHE A 20 -0.598 9.344 -7.138 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.525 8.646 -9.798 1.00 0.00 C ATOM 273 CE2 PHE A 20 0.041 10.174 -8.097 1.00 0.00 C ATOM 274 CZ PHE A 20 0.064 9.807 -9.406 1.00 0.00 C ATOM 0 H PHE A 20 -3.488 8.543 -4.698 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.817 7.522 -7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.482 7.523 -5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.621 6.249 -6.704 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.631 6.892 -9.150 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.616 9.635 -6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.507 8.356 -10.838 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.509 11.097 -7.787 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.551 10.438 -10.135 1.00 0.00 H new ATOM 284 N GLN A 21 -4.495 5.290 -6.670 1.00 0.00 N ATOM 285 CA GLN A 21 -5.099 4.057 -6.196 1.00 0.00 C ATOM 286 C GLN A 21 -4.144 2.881 -6.410 1.00 0.00 C ATOM 287 O GLN A 21 -3.172 2.994 -7.156 1.00 0.00 O ATOM 288 CB GLN A 21 -6.442 3.804 -6.883 1.00 0.00 C ATOM 289 CG GLN A 21 -7.387 3.021 -5.970 1.00 0.00 C ATOM 290 CD GLN A 21 -8.816 3.037 -6.516 1.00 0.00 C ATOM 291 OE1 GLN A 21 -9.057 3.255 -7.692 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.748 2.796 -5.598 1.00 0.00 N ATOM 0 H GLN A 21 -4.488 5.399 -7.684 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.288 4.156 -5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.900 4.755 -7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.282 3.250 -7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.040 1.992 -5.879 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.372 3.452 -4.969 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.477 2.621 -4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.733 2.786 -5.862 1.00 0.00 H new ATOM 301 N ALA A 22 -4.453 1.779 -5.742 1.00 0.00 N ATOM 302 CA ALA A 22 -3.634 0.584 -5.850 1.00 0.00 C ATOM 303 C ALA A 22 -4.074 -0.221 -7.075 1.00 0.00 C ATOM 304 O ALA A 22 -5.138 -0.838 -7.068 1.00 0.00 O ATOM 305 CB ALA A 22 -3.736 -0.224 -4.555 1.00 0.00 C ATOM 0 H ALA A 22 -5.259 1.689 -5.124 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.586 0.849 -5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.121 -1.121 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.385 0.382 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.774 -0.510 -4.385 1.00 0.00 H new ATOM 311 N GLU A 23 -3.232 -0.190 -8.098 1.00 0.00 N ATOM 312 CA GLU A 23 -3.520 -0.909 -9.327 1.00 0.00 C ATOM 313 C GLU A 23 -3.788 -2.385 -9.028 1.00 0.00 C ATOM 314 O GLU A 23 -4.800 -2.935 -9.459 1.00 0.00 O ATOM 315 CB GLU A 23 -2.379 -0.752 -10.334 1.00 0.00 C ATOM 316 CG GLU A 23 -2.434 0.617 -11.015 1.00 0.00 C ATOM 317 CD GLU A 23 -3.164 0.534 -12.357 1.00 0.00 C ATOM 318 OE1 GLU A 23 -4.181 -0.191 -12.406 1.00 0.00 O ATOM 319 OE2 GLU A 23 -2.688 1.196 -13.305 1.00 0.00 O ATOM 0 H GLU A 23 -2.350 0.322 -8.100 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.417 -0.480 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.422 -0.871 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.442 -1.539 -11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.941 1.330 -10.365 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.422 0.991 -11.170 1.00 0.00 H new ATOM 326 N ARG A 24 -2.864 -2.984 -8.292 1.00 0.00 N ATOM 327 CA ARG A 24 -2.987 -4.386 -7.930 1.00 0.00 C ATOM 328 C ARG A 24 -2.561 -4.599 -6.476 1.00 0.00 C ATOM 329 O ARG A 24 -2.029 -3.689 -5.842 1.00 0.00 O ATOM 330 CB ARG A 24 -2.130 -5.268 -8.840 1.00 0.00 C ATOM 331 CG ARG A 24 -0.705 -4.721 -8.949 1.00 0.00 C ATOM 332 CD ARG A 24 0.269 -5.813 -9.393 1.00 0.00 C ATOM 333 NE ARG A 24 1.296 -5.241 -10.293 1.00 0.00 N ATOM 334 CZ ARG A 24 2.001 -5.957 -11.180 1.00 0.00 C ATOM 335 NH1 ARG A 24 1.794 -7.276 -11.292 1.00 0.00 N ATOM 336 NH2 ARG A 24 2.912 -5.353 -11.955 1.00 0.00 N ATOM 0 H ARG A 24 -2.026 -2.524 -7.936 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.033 -4.668 -8.051 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.104 -6.285 -8.448 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.580 -5.320 -9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.682 -3.896 -9.662 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.391 -4.319 -7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.746 -6.262 -8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.273 -6.608 -9.905 1.00 0.00 H new ATOM 0 HE ARG A 24 1.478 -4.239 -10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.100 -7.735 -10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.330 -7.821 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.069 -4.349 -11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.449 -5.897 -12.630 1.00 0.00 H new ATOM 350 N ASN A 25 -2.810 -5.806 -5.991 1.00 0.00 N ATOM 351 CA ASN A 25 -2.458 -6.150 -4.623 1.00 0.00 C ATOM 352 C ASN A 25 -0.943 -6.038 -4.448 1.00 0.00 C ATOM 353 O ASN A 25 -0.211 -6.988 -4.722 1.00 0.00 O ATOM 354 CB ASN A 25 -2.868 -7.587 -4.294 1.00 0.00 C ATOM 355 CG ASN A 25 -4.130 -7.612 -3.429 1.00 0.00 C ATOM 356 OD1 ASN A 25 -5.214 -7.142 -4.039 1.00 0.00 O flip ATOM 357 ND2 ASN A 25 -4.119 -8.032 -2.283 1.00 0.00 N flip ATOM 0 H ASN A 25 -3.251 -6.558 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.982 -5.464 -3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.044 -8.139 -5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.055 -8.091 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.251 -8.379 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.978 -8.036 -1.733 1.00 0.00 H new ATOM 364 N PHE A 26 -0.516 -4.870 -3.992 1.00 0.00 N ATOM 365 CA PHE A 26 0.899 -4.622 -3.776 1.00 0.00 C ATOM 366 C PHE A 26 1.415 -5.403 -2.566 1.00 0.00 C ATOM 367 O PHE A 26 0.768 -5.431 -1.520 1.00 0.00 O ATOM 368 CB PHE A 26 1.055 -3.124 -3.506 1.00 0.00 C ATOM 369 CG PHE A 26 2.505 -2.673 -3.320 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.152 -2.927 -2.151 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.148 -2.018 -4.324 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.497 -2.508 -1.978 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.493 -1.599 -4.151 1.00 0.00 C ATOM 374 CZ PHE A 26 5.140 -1.853 -2.982 1.00 0.00 C ATOM 0 H PHE A 26 -1.126 -4.084 -3.766 1.00 0.00 H new ATOM 0 HA PHE A 26 1.469 -4.940 -4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.616 -2.568 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.487 -2.865 -2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.642 -3.448 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.635 -1.817 -5.253 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.010 -2.709 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.003 -1.078 -4.948 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.164 -1.535 -2.851 1.00 0.00 H new ATOM 384 N ASN A 27 2.574 -6.018 -2.748 1.00 0.00 N ATOM 385 CA ASN A 27 3.184 -6.797 -1.684 1.00 0.00 C ATOM 386 C ASN A 27 4.471 -6.109 -1.227 1.00 0.00 C ATOM 387 O ASN A 27 5.387 -5.905 -2.024 1.00 0.00 O ATOM 388 CB ASN A 27 3.545 -8.203 -2.169 1.00 0.00 C ATOM 389 CG ASN A 27 3.138 -9.259 -1.139 1.00 0.00 C ATOM 390 OD1 ASN A 27 3.742 -9.405 -0.089 1.00 0.00 O ATOM 391 ND2 ASN A 27 2.083 -9.985 -1.498 1.00 0.00 N ATOM 0 H ASN A 27 3.107 -5.993 -3.617 1.00 0.00 H new ATOM 0 HA ASN A 27 2.467 -6.870 -0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.047 -8.404 -3.117 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.618 -8.264 -2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.733 -10.717 -0.879 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.624 -9.810 -2.392 1.00 0.00 H new ATOM 398 N ALA A 28 4.501 -5.770 0.053 1.00 0.00 N ATOM 399 CA ALA A 28 5.661 -5.109 0.625 1.00 0.00 C ATOM 400 C ALA A 28 6.907 -5.958 0.364 1.00 0.00 C ATOM 401 O ALA A 28 6.940 -7.139 0.704 1.00 0.00 O ATOM 402 CB ALA A 28 5.425 -4.863 2.117 1.00 0.00 C ATOM 0 H ALA A 28 3.740 -5.941 0.711 1.00 0.00 H new ATOM 0 HA ALA A 28 5.819 -4.138 0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.296 -4.367 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.546 -4.231 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.265 -5.816 2.622 1.00 0.00 H new ATOM 408 N ALA A 29 7.902 -5.322 -0.237 1.00 0.00 N ATOM 409 CA ALA A 29 9.147 -6.004 -0.547 1.00 0.00 C ATOM 410 C ALA A 29 10.242 -5.515 0.402 1.00 0.00 C ATOM 411 O ALA A 29 11.031 -6.311 0.909 1.00 0.00 O ATOM 412 CB ALA A 29 9.503 -5.773 -2.017 1.00 0.00 C ATOM 0 H ALA A 29 7.871 -4.342 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 29 9.042 -7.079 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.437 -6.284 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.707 -6.165 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.619 -4.705 -2.200 1.00 0.00 H new ATOM 418 N GLN A 30 10.256 -4.207 0.615 1.00 0.00 N ATOM 419 CA GLN A 30 11.241 -3.602 1.495 1.00 0.00 C ATOM 420 C GLN A 30 10.582 -3.151 2.799 1.00 0.00 C ATOM 421 O GLN A 30 9.397 -3.396 3.018 1.00 0.00 O ATOM 422 CB GLN A 30 11.948 -2.434 0.805 1.00 0.00 C ATOM 423 CG GLN A 30 10.946 -1.547 0.063 1.00 0.00 C ATOM 424 CD GLN A 30 11.629 -0.299 -0.498 1.00 0.00 C ATOM 425 OE1 GLN A 30 12.286 0.450 0.206 1.00 0.00 O ATOM 426 NE2 GLN A 30 11.438 -0.117 -1.802 1.00 0.00 N ATOM 0 H GLN A 30 9.600 -3.549 0.193 1.00 0.00 H new ATOM 0 HA GLN A 30 11.996 -4.351 1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.485 -1.841 1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.690 -2.816 0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.487 -2.111 -0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.144 -1.254 0.740 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.877 -0.783 -2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.853 0.688 -2.271 1.00 0.00 H new ATOM 435 N ASP A 31 11.379 -2.498 3.633 1.00 0.00 N ATOM 436 CA ASP A 31 10.888 -2.010 4.910 1.00 0.00 C ATOM 437 C ASP A 31 10.120 -0.705 4.692 1.00 0.00 C ATOM 438 O ASP A 31 9.248 -0.353 5.485 1.00 0.00 O ATOM 439 CB ASP A 31 12.043 -1.724 5.872 1.00 0.00 C ATOM 440 CG ASP A 31 11.939 -2.417 7.232 1.00 0.00 C ATOM 441 OD1 ASP A 31 11.225 -1.866 8.097 1.00 0.00 O ATOM 442 OD2 ASP A 31 12.575 -3.483 7.375 1.00 0.00 O ATOM 0 H ASP A 31 12.362 -2.296 3.449 1.00 0.00 H new ATOM 0 HA ASP A 31 10.244 -2.778 5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.976 -2.028 5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.104 -0.648 6.033 1.00 0.00 H new ATOM 447 N LEU A 32 10.472 -0.023 3.612 1.00 0.00 N ATOM 448 CA LEU A 32 9.827 1.236 3.279 1.00 0.00 C ATOM 449 C LEU A 32 8.528 0.954 2.522 1.00 0.00 C ATOM 450 O LEU A 32 7.729 1.861 2.292 1.00 0.00 O ATOM 451 CB LEU A 32 10.793 2.149 2.522 1.00 0.00 C ATOM 452 CG LEU A 32 12.077 2.529 3.263 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.938 3.472 2.421 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.762 3.117 4.640 1.00 0.00 C ATOM 0 H LEU A 32 11.195 -0.318 2.956 1.00 0.00 H new ATOM 0 HA LEU A 32 9.557 1.777 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.068 1.659 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.265 3.065 2.258 1.00 0.00 H new ATOM 0 HG LEU A 32 12.658 1.621 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.844 3.726 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.207 2.981 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.377 4.382 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.692 3.378 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.149 4.011 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.220 2.381 5.235 1.00 0.00 H new ATOM 466 N ASP A 33 8.356 -0.308 2.155 1.00 0.00 N ATOM 467 CA ASP A 33 7.167 -0.721 1.429 1.00 0.00 C ATOM 468 C ASP A 33 6.137 -1.273 2.417 1.00 0.00 C ATOM 469 O ASP A 33 6.498 -1.766 3.484 1.00 0.00 O ATOM 470 CB ASP A 33 7.493 -1.824 0.420 1.00 0.00 C ATOM 471 CG ASP A 33 8.214 -1.352 -0.844 1.00 0.00 C ATOM 472 OD1 ASP A 33 8.776 -0.237 -0.794 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.187 -2.117 -1.832 1.00 0.00 O ATOM 0 H ASP A 33 9.020 -1.058 2.347 1.00 0.00 H new ATOM 0 HA ASP A 33 6.777 0.148 0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.110 -2.576 0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.564 -2.315 0.129 1.00 0.00 H new ATOM 478 N VAL A 34 4.875 -1.171 2.025 1.00 0.00 N ATOM 479 CA VAL A 34 3.791 -1.654 2.863 1.00 0.00 C ATOM 480 C VAL A 34 2.693 -2.246 1.977 1.00 0.00 C ATOM 481 O VAL A 34 2.356 -1.681 0.938 1.00 0.00 O ATOM 482 CB VAL A 34 3.287 -0.528 3.768 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.453 0.299 4.314 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.283 0.360 3.031 1.00 0.00 C ATOM 0 H VAL A 34 4.580 -0.761 1.139 1.00 0.00 H new ATOM 0 HA VAL A 34 4.142 -2.449 3.521 1.00 0.00 H new ATOM 0 HB VAL A 34 2.773 -0.983 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.068 1.093 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.116 -0.344 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.007 0.739 3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.941 1.152 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.761 0.802 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.431 -0.241 2.713 1.00 0.00 H new ATOM 494 N SER A 35 2.164 -3.377 2.421 1.00 0.00 N ATOM 495 CA SER A 35 1.111 -4.052 1.682 1.00 0.00 C ATOM 496 C SER A 35 -0.035 -3.079 1.399 1.00 0.00 C ATOM 497 O SER A 35 -0.274 -2.153 2.173 1.00 0.00 O ATOM 498 CB SER A 35 0.595 -5.272 2.448 1.00 0.00 C ATOM 499 OG SER A 35 0.195 -4.939 3.775 1.00 0.00 O ATOM 0 H SER A 35 2.445 -3.843 3.284 1.00 0.00 H new ATOM 0 HA SER A 35 1.526 -4.400 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.250 -5.706 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.374 -6.033 2.484 1.00 0.00 H new ATOM 0 HG SER A 35 -0.130 -5.744 4.230 1.00 0.00 H new ATOM 505 N LEU A 36 -0.714 -3.322 0.287 1.00 0.00 N ATOM 506 CA LEU A 36 -1.830 -2.478 -0.108 1.00 0.00 C ATOM 507 C LEU A 36 -2.839 -3.313 -0.899 1.00 0.00 C ATOM 508 O LEU A 36 -2.472 -4.305 -1.528 1.00 0.00 O ATOM 509 CB LEU A 36 -1.328 -1.244 -0.860 1.00 0.00 C ATOM 510 CG LEU A 36 -0.752 -0.120 0.004 1.00 0.00 C ATOM 511 CD1 LEU A 36 -0.271 1.045 -0.862 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.761 0.330 1.062 1.00 0.00 C ATOM 0 H LEU A 36 -0.513 -4.091 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.350 -2.097 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.561 -1.561 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.154 -0.839 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 36 0.118 -0.508 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.134 1.830 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.505 0.696 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.108 1.441 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.327 1.129 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.664 0.694 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.012 -0.512 1.707 1.00 0.00 H new ATOM 524 N LEU A 37 -4.090 -2.880 -0.843 1.00 0.00 N ATOM 525 CA LEU A 37 -5.155 -3.575 -1.546 1.00 0.00 C ATOM 526 C LEU A 37 -5.463 -2.839 -2.851 1.00 0.00 C ATOM 527 O LEU A 37 -5.555 -1.612 -2.869 1.00 0.00 O ATOM 528 CB LEU A 37 -6.372 -3.750 -0.637 1.00 0.00 C ATOM 529 CG LEU A 37 -6.247 -4.816 0.454 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.608 -5.116 1.085 1.00 0.00 C ATOM 531 CD2 LEU A 37 -5.575 -6.079 -0.088 1.00 0.00 C ATOM 0 H LEU A 37 -4.390 -2.056 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.840 -4.583 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.585 -2.793 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.233 -3.994 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.606 -4.424 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.491 -5.877 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.011 -4.206 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.292 -5.479 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.499 -6.820 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.170 -6.485 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.577 -5.833 -0.452 1.00 0.00 H new ATOM 543 N GLU A 38 -5.613 -3.618 -3.912 1.00 0.00 N ATOM 544 CA GLU A 38 -5.909 -3.055 -5.219 1.00 0.00 C ATOM 545 C GLU A 38 -7.114 -2.117 -5.132 1.00 0.00 C ATOM 546 O GLU A 38 -7.304 -1.263 -5.997 1.00 0.00 O ATOM 547 CB GLU A 38 -6.147 -4.160 -6.250 1.00 0.00 C ATOM 548 CG GLU A 38 -7.182 -5.168 -5.745 1.00 0.00 C ATOM 549 CD GLU A 38 -7.567 -6.157 -6.847 1.00 0.00 C ATOM 550 OE1 GLU A 38 -6.631 -6.715 -7.461 1.00 0.00 O ATOM 551 OE2 GLU A 38 -8.787 -6.334 -7.050 1.00 0.00 O ATOM 0 H GLU A 38 -5.535 -4.635 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.046 -2.476 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.489 -3.720 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.209 -4.672 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.780 -5.710 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.070 -4.640 -5.399 1.00 0.00 H new ATOM 558 N GLY A 39 -7.897 -2.307 -4.080 1.00 0.00 N ATOM 559 CA GLY A 39 -9.079 -1.488 -3.869 1.00 0.00 C ATOM 560 C GLY A 39 -8.782 -0.334 -2.909 1.00 0.00 C ATOM 561 O GLY A 39 -9.562 0.611 -2.809 1.00 0.00 O ATOM 0 H GLY A 39 -7.736 -3.016 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.426 -1.092 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.884 -2.102 -3.467 1.00 0.00 H new ATOM 565 N ASP A 40 -7.651 -0.450 -2.228 1.00 0.00 N ATOM 566 CA ASP A 40 -7.242 0.572 -1.279 1.00 0.00 C ATOM 567 C ASP A 40 -6.677 1.773 -2.041 1.00 0.00 C ATOM 568 O ASP A 40 -6.062 1.611 -3.094 1.00 0.00 O ATOM 569 CB ASP A 40 -6.149 0.049 -0.344 1.00 0.00 C ATOM 570 CG ASP A 40 -6.658 -0.661 0.912 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.882 -0.581 1.153 1.00 0.00 O ATOM 572 OD2 ASP A 40 -5.812 -1.269 1.602 1.00 0.00 O ATOM 0 H ASP A 40 -7.006 -1.235 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.115 0.855 -0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.515 -0.640 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.520 0.886 -0.040 1.00 0.00 H new ATOM 577 N LEU A 41 -6.906 2.951 -1.479 1.00 0.00 N ATOM 578 CA LEU A 41 -6.428 4.178 -2.093 1.00 0.00 C ATOM 579 C LEU A 41 -5.389 4.829 -1.178 1.00 0.00 C ATOM 580 O LEU A 41 -5.413 4.629 0.036 1.00 0.00 O ATOM 581 CB LEU A 41 -7.602 5.095 -2.441 1.00 0.00 C ATOM 582 CG LEU A 41 -7.285 6.267 -3.373 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.635 5.925 -4.822 1.00 0.00 C ATOM 584 CD2 LEU A 41 -7.979 7.546 -2.902 1.00 0.00 C ATOM 0 H LEU A 41 -7.416 3.082 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.931 3.963 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.384 4.492 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.012 5.495 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.211 6.452 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.400 6.775 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.056 5.058 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.699 5.698 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.737 8.363 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.058 7.391 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.637 7.797 -1.898 1.00 0.00 H new ATOM 596 N VAL A 42 -4.502 5.595 -1.795 1.00 0.00 N ATOM 597 CA VAL A 42 -3.456 6.277 -1.051 1.00 0.00 C ATOM 598 C VAL A 42 -3.195 7.645 -1.685 1.00 0.00 C ATOM 599 O VAL A 42 -3.602 7.896 -2.818 1.00 0.00 O ATOM 600 CB VAL A 42 -2.205 5.400 -0.984 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.533 4.018 -0.415 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.542 5.284 -2.358 1.00 0.00 C ATOM 0 H VAL A 42 -4.486 5.759 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.770 6.450 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.496 5.880 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.626 3.415 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.938 4.126 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.269 3.528 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.655 4.655 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.243 4.839 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.255 6.275 -2.708 1.00 0.00 H new ATOM 612 N GLY A 43 -2.516 8.493 -0.926 1.00 0.00 N ATOM 613 CA GLY A 43 -2.195 9.829 -1.400 1.00 0.00 C ATOM 614 C GLY A 43 -0.683 10.061 -1.403 1.00 0.00 C ATOM 615 O GLY A 43 -0.102 10.409 -0.376 1.00 0.00 O ATOM 0 H GLY A 43 -2.179 8.281 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.590 9.966 -2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.679 10.570 -0.764 1.00 0.00 H new ATOM 619 N VAL A 44 -0.088 9.858 -2.569 1.00 0.00 N ATOM 620 CA VAL A 44 1.346 10.041 -2.720 1.00 0.00 C ATOM 621 C VAL A 44 1.762 11.351 -2.048 1.00 0.00 C ATOM 622 O VAL A 44 1.115 12.381 -2.234 1.00 0.00 O ATOM 623 CB VAL A 44 1.729 9.980 -4.200 1.00 0.00 C ATOM 624 CG1 VAL A 44 1.173 11.186 -4.960 1.00 0.00 C ATOM 625 CG2 VAL A 44 3.246 9.877 -4.370 1.00 0.00 C ATOM 0 H VAL A 44 -0.573 9.568 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 44 1.888 9.235 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 44 1.283 9.081 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.459 11.118 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.086 11.197 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.577 12.104 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.491 9.835 -5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.722 10.749 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.607 8.973 -3.878 1.00 0.00 H new ATOM 635 N ILE A 45 2.839 11.270 -1.281 1.00 0.00 N ATOM 636 CA ILE A 45 3.350 12.437 -0.581 1.00 0.00 C ATOM 637 C ILE A 45 4.608 12.942 -1.290 1.00 0.00 C ATOM 638 O ILE A 45 4.663 14.093 -1.719 1.00 0.00 O ATOM 639 CB ILE A 45 3.563 12.121 0.901 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.239 12.168 1.667 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.613 13.050 1.513 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.342 11.399 2.986 1.00 0.00 C ATOM 0 H ILE A 45 3.372 10.414 -1.129 1.00 0.00 H new ATOM 0 HA ILE A 45 2.622 13.248 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 45 3.946 11.104 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.966 13.204 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.445 11.742 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.746 12.805 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.560 12.924 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.282 14.084 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.388 11.448 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.591 10.358 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.121 11.843 3.606 1.00 0.00 H new ATOM 654 N LYS A 46 5.588 12.055 -1.390 1.00 0.00 N ATOM 655 CA LYS A 46 6.842 12.397 -2.040 1.00 0.00 C ATOM 656 C LYS A 46 6.935 11.662 -3.378 1.00 0.00 C ATOM 657 O LYS A 46 6.413 10.558 -3.522 1.00 0.00 O ATOM 658 CB LYS A 46 8.021 12.122 -1.104 1.00 0.00 C ATOM 659 CG LYS A 46 8.676 13.428 -0.650 1.00 0.00 C ATOM 660 CD LYS A 46 10.107 13.184 -0.166 1.00 0.00 C ATOM 661 CE LYS A 46 10.462 14.121 0.991 1.00 0.00 C ATOM 662 NZ LYS A 46 10.975 15.410 0.476 1.00 0.00 N ATOM 0 H LYS A 46 5.539 11.101 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 46 6.880 13.464 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.677 11.562 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.757 11.500 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.684 14.141 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.088 13.874 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.215 12.148 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.804 13.337 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.581 14.294 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.212 13.653 1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.211 16.034 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.828 15.241 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.247 15.863 -0.114 1.00 0.00 H new ATOM 676 N LYS A 47 7.603 12.305 -4.325 1.00 0.00 N ATOM 677 CA LYS A 47 7.771 11.727 -5.647 1.00 0.00 C ATOM 678 C LYS A 47 9.217 11.254 -5.812 1.00 0.00 C ATOM 679 O LYS A 47 9.693 11.081 -6.933 1.00 0.00 O ATOM 680 CB LYS A 47 7.321 12.715 -6.725 1.00 0.00 C ATOM 681 CG LYS A 47 5.798 12.705 -6.876 1.00 0.00 C ATOM 682 CD LYS A 47 5.360 13.554 -8.071 1.00 0.00 C ATOM 683 CE LYS A 47 3.839 13.524 -8.237 1.00 0.00 C ATOM 684 NZ LYS A 47 3.432 14.309 -9.424 1.00 0.00 N ATOM 0 H LYS A 47 8.034 13.221 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 47 7.133 10.851 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.658 13.719 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.786 12.458 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.449 11.681 -7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.336 13.087 -5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.694 14.582 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.836 13.183 -8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.499 12.494 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.362 13.929 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.397 14.278 -9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.740 15.296 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.873 13.905 -10.275 1.00 0.00 H new ATOM 698 N LYS A 48 9.875 11.057 -4.679 1.00 0.00 N ATOM 699 CA LYS A 48 11.256 10.607 -4.684 1.00 0.00 C ATOM 700 C LYS A 48 11.661 10.201 -3.265 1.00 0.00 C ATOM 701 O LYS A 48 11.190 10.785 -2.290 1.00 0.00 O ATOM 702 CB LYS A 48 12.165 11.673 -5.300 1.00 0.00 C ATOM 703 CG LYS A 48 13.639 11.337 -5.070 1.00 0.00 C ATOM 704 CD LYS A 48 14.545 12.226 -5.925 1.00 0.00 C ATOM 705 CE LYS A 48 15.224 13.298 -5.071 1.00 0.00 C ATOM 706 NZ LYS A 48 16.359 13.902 -5.803 1.00 0.00 N ATOM 0 H LYS A 48 9.477 11.201 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 48 11.366 9.724 -5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.969 11.750 -6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.938 12.646 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.885 11.468 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.819 10.289 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.302 11.614 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.958 12.700 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.502 14.071 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.578 12.858 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.809 14.628 -5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.055 13.164 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.013 14.339 -6.681 1.00 0.00 H new ATOM 720 N ASP A 49 12.529 9.202 -3.195 1.00 0.00 N ATOM 721 CA ASP A 49 13.002 8.710 -1.912 1.00 0.00 C ATOM 722 C ASP A 49 14.173 9.575 -1.440 1.00 0.00 C ATOM 723 O ASP A 49 14.796 10.272 -2.239 1.00 0.00 O ATOM 724 CB ASP A 49 13.494 7.266 -2.024 1.00 0.00 C ATOM 725 CG ASP A 49 14.939 7.111 -2.503 1.00 0.00 C ATOM 726 OD1 ASP A 49 15.381 7.995 -3.269 1.00 0.00 O ATOM 727 OD2 ASP A 49 15.569 6.112 -2.092 1.00 0.00 O ATOM 0 H ASP A 49 12.917 8.720 -4.006 1.00 0.00 H new ATOM 0 HA ASP A 49 12.172 8.754 -1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.397 6.788 -1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.840 6.727 -2.710 1.00 0.00 H new ATOM 732 N PRO A 50 14.444 9.498 -0.110 1.00 0.00 N ATOM 733 CA PRO A 50 15.530 10.264 0.478 1.00 0.00 C ATOM 734 C PRO A 50 16.887 9.649 0.130 1.00 0.00 C ATOM 735 O PRO A 50 17.589 9.150 1.008 1.00 0.00 O ATOM 736 CB PRO A 50 15.244 10.268 1.971 1.00 0.00 C ATOM 737 CG PRO A 50 14.276 9.122 2.214 1.00 0.00 C ATOM 738 CD PRO A 50 13.728 8.682 0.866 1.00 0.00 C ATOM 0 HA PRO A 50 15.583 11.282 0.093 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.161 10.133 2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.810 11.218 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.782 8.293 2.709 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.466 9.439 2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.901 7.619 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.652 8.844 0.804 1.00 0.00 H new ATOM 746 N MET A 51 17.214 9.704 -1.152 1.00 0.00 N ATOM 747 CA MET A 51 18.475 9.159 -1.627 1.00 0.00 C ATOM 748 C MET A 51 18.762 9.610 -3.060 1.00 0.00 C ATOM 749 O MET A 51 19.809 10.196 -3.332 1.00 0.00 O ATOM 750 CB MET A 51 18.422 7.630 -1.573 1.00 0.00 C ATOM 751 CG MET A 51 18.896 7.113 -0.214 1.00 0.00 C ATOM 752 SD MET A 51 19.761 5.565 -0.418 1.00 0.00 S ATOM 753 CE MET A 51 20.547 5.436 1.180 1.00 0.00 C ATOM 0 H MET A 51 16.628 10.118 -1.877 1.00 0.00 H new ATOM 0 HA MET A 51 19.274 9.527 -0.984 1.00 0.00 H new ATOM 0 HB2 MET A 51 17.403 7.291 -1.760 1.00 0.00 H new ATOM 0 HB3 MET A 51 19.047 7.213 -2.363 1.00 0.00 H new ATOM 0 HG2 MET A 51 19.552 7.847 0.255 1.00 0.00 H new ATOM 0 HG3 MET A 51 18.043 6.978 0.451 1.00 0.00 H new ATOM 0 HE1 MET A 51 21.133 4.518 1.224 1.00 0.00 H new ATOM 0 HE2 MET A 51 21.203 6.293 1.333 1.00 0.00 H new ATOM 0 HE3 MET A 51 19.785 5.418 1.960 1.00 0.00 H new ATOM 763 N GLY A 52 17.815 9.319 -3.939 1.00 0.00 N ATOM 764 CA GLY A 52 17.954 9.688 -5.338 1.00 0.00 C ATOM 765 C GLY A 52 17.278 8.659 -6.246 1.00 0.00 C ATOM 766 O GLY A 52 17.943 7.990 -7.035 1.00 0.00 O ATOM 0 H GLY A 52 16.948 8.832 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.513 10.671 -5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 52 19.011 9.766 -5.594 1.00 0.00 H new ATOM 770 N SER A 53 15.964 8.564 -6.104 1.00 0.00 N ATOM 771 CA SER A 53 15.190 7.627 -6.901 1.00 0.00 C ATOM 772 C SER A 53 13.746 8.117 -7.029 1.00 0.00 C ATOM 773 O SER A 53 12.915 7.841 -6.166 1.00 0.00 O ATOM 774 CB SER A 53 15.223 6.225 -6.290 1.00 0.00 C ATOM 775 OG SER A 53 16.485 5.590 -6.479 1.00 0.00 O ATOM 0 H SER A 53 15.415 9.121 -5.449 1.00 0.00 H new ATOM 0 HA SER A 53 15.637 7.571 -7.893 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.005 6.289 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.439 5.615 -6.739 1.00 0.00 H new ATOM 0 HG SER A 53 17.137 6.247 -6.800 1.00 0.00 H new ATOM 781 N GLN A 54 13.493 8.835 -8.113 1.00 0.00 N ATOM 782 CA GLN A 54 12.164 9.366 -8.365 1.00 0.00 C ATOM 783 C GLN A 54 11.260 8.278 -8.949 1.00 0.00 C ATOM 784 O GLN A 54 10.086 8.523 -9.224 1.00 0.00 O ATOM 785 CB GLN A 54 12.226 10.583 -9.291 1.00 0.00 C ATOM 786 CG GLN A 54 12.182 10.157 -10.760 1.00 0.00 C ATOM 787 CD GLN A 54 13.427 9.350 -11.134 1.00 0.00 C ATOM 788 OE1 GLN A 54 13.199 8.051 -11.303 1.00 0.00 O flip ATOM 789 NE2 GLN A 54 14.522 9.873 -11.261 1.00 0.00 N flip ATOM 0 H GLN A 54 14.185 9.062 -8.827 1.00 0.00 H new ATOM 0 HA GLN A 54 11.739 9.694 -7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.391 11.250 -9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.140 11.145 -9.099 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.289 9.560 -10.943 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.111 11.039 -11.396 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.627 10.877 -11.117 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.332 9.306 -11.512 1.00 0.00 H new ATOM 798 N ASN A 55 11.841 7.100 -9.121 1.00 0.00 N ATOM 799 CA ASN A 55 11.103 5.974 -9.667 1.00 0.00 C ATOM 800 C ASN A 55 10.088 5.484 -8.631 1.00 0.00 C ATOM 801 O ASN A 55 9.086 4.865 -8.984 1.00 0.00 O ATOM 802 CB ASN A 55 12.039 4.810 -9.999 1.00 0.00 C ATOM 803 CG ASN A 55 12.128 4.592 -11.510 1.00 0.00 C ATOM 804 OD1 ASN A 55 11.626 3.431 -11.920 1.00 0.00 O flip ATOM 805 ND2 ASN A 55 12.620 5.423 -12.256 1.00 0.00 N flip ATOM 0 H ASN A 55 12.815 6.901 -8.892 1.00 0.00 H new ATOM 0 HA ASN A 55 10.605 6.307 -10.578 1.00 0.00 H new ATOM 0 HB2 ASN A 55 13.032 5.012 -9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.679 3.901 -9.517 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.988 6.295 -11.876 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.663 5.245 -13.259 1.00 0.00 H new ATOM 812 N ARG A 56 10.384 5.781 -7.374 1.00 0.00 N ATOM 813 CA ARG A 56 9.510 5.378 -6.285 1.00 0.00 C ATOM 814 C ARG A 56 8.978 6.610 -5.549 1.00 0.00 C ATOM 815 O ARG A 56 9.728 7.544 -5.271 1.00 0.00 O ATOM 816 CB ARG A 56 10.247 4.478 -5.292 1.00 0.00 C ATOM 817 CG ARG A 56 9.260 3.655 -4.461 1.00 0.00 C ATOM 818 CD ARG A 56 9.984 2.558 -3.678 1.00 0.00 C ATOM 819 NE ARG A 56 11.110 3.140 -2.914 1.00 0.00 N ATOM 820 CZ ARG A 56 12.369 3.213 -3.369 1.00 0.00 C ATOM 821 NH1 ARG A 56 12.669 2.741 -4.586 1.00 0.00 N ATOM 822 NH2 ARG A 56 13.326 3.758 -2.606 1.00 0.00 N ATOM 0 H ARG A 56 11.216 6.296 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 56 8.679 4.820 -6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.920 3.810 -5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.864 5.088 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.727 4.309 -3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.513 3.207 -5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.289 2.066 -2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.354 1.795 -4.363 1.00 0.00 H new ATOM 0 HE ARG A 56 10.916 3.509 -1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.940 2.326 -5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.627 2.796 -4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.097 4.117 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.284 3.814 -2.952 1.00 0.00 H new ATOM 836 N TRP A 57 7.687 6.571 -5.255 1.00 0.00 N ATOM 837 CA TRP A 57 7.045 7.672 -4.557 1.00 0.00 C ATOM 838 C TRP A 57 6.558 7.153 -3.202 1.00 0.00 C ATOM 839 O TRP A 57 6.174 5.991 -3.080 1.00 0.00 O ATOM 840 CB TRP A 57 5.924 8.279 -5.402 1.00 0.00 C ATOM 841 CG TRP A 57 6.391 8.836 -6.749 1.00 0.00 C ATOM 842 CD1 TRP A 57 7.647 9.067 -7.154 1.00 0.00 C ATOM 843 CD2 TRP A 57 5.552 9.224 -7.856 1.00 0.00 C ATOM 844 NE1 TRP A 57 7.679 9.574 -8.437 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.365 9.673 -8.878 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.153 9.198 -7.991 1.00 0.00 C ATOM 847 CZ2 TRP A 57 5.871 10.129 -10.106 1.00 0.00 C ATOM 848 CZ3 TRP A 57 3.675 9.657 -9.224 1.00 0.00 C ATOM 849 CH2 TRP A 57 4.480 10.112 -10.263 1.00 0.00 C ATOM 0 H TRP A 57 7.068 5.794 -5.487 1.00 0.00 H new ATOM 0 HA TRP A 57 7.752 8.484 -4.386 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.164 7.518 -5.579 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.448 9.079 -4.835 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.524 8.880 -6.552 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.514 9.829 -8.965 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.498 8.851 -7.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.528 10.475 -10.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.606 9.658 -9.379 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.034 10.451 -11.187 1.00 0.00 H new ATOM 860 N LEU A 58 6.591 8.040 -2.218 1.00 0.00 N ATOM 861 CA LEU A 58 6.158 7.687 -0.877 1.00 0.00 C ATOM 862 C LEU A 58 4.671 8.015 -0.723 1.00 0.00 C ATOM 863 O LEU A 58 4.245 9.131 -1.014 1.00 0.00 O ATOM 864 CB LEU A 58 7.048 8.361 0.169 1.00 0.00 C ATOM 865 CG LEU A 58 6.510 8.371 1.601 1.00 0.00 C ATOM 866 CD1 LEU A 58 5.471 9.478 1.788 1.00 0.00 C ATOM 867 CD2 LEU A 58 5.961 6.997 1.991 1.00 0.00 C ATOM 0 H LEU A 58 6.911 9.003 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 58 6.268 6.615 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.017 7.861 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.221 9.392 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 58 7.338 8.589 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.104 9.463 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.928 10.445 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.639 9.315 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.585 7.032 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.150 6.724 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.756 6.255 1.922 1.00 0.00 H new ATOM 879 N ILE A 59 3.923 7.022 -0.265 1.00 0.00 N ATOM 880 CA ILE A 59 2.493 7.191 -0.068 1.00 0.00 C ATOM 881 C ILE A 59 2.121 6.745 1.347 1.00 0.00 C ATOM 882 O ILE A 59 2.917 6.099 2.027 1.00 0.00 O ATOM 883 CB ILE A 59 1.712 6.467 -1.167 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.785 4.950 -0.982 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.189 6.899 -2.555 1.00 0.00 C ATOM 886 CD1 ILE A 59 0.924 4.500 0.200 1.00 0.00 C ATOM 0 H ILE A 59 4.280 6.097 -0.025 1.00 0.00 H new ATOM 0 HA ILE A 59 2.218 8.242 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 59 0.663 6.752 -1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.449 4.452 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.820 4.649 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.618 6.369 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.042 7.973 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.247 6.663 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.994 3.418 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.278 4.981 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.114 4.781 0.022 1.00 0.00 H new ATOM 898 N ASP A 60 0.912 7.107 1.748 1.00 0.00 N ATOM 899 CA ASP A 60 0.424 6.752 3.070 1.00 0.00 C ATOM 900 C ASP A 60 -0.881 5.966 2.934 1.00 0.00 C ATOM 901 O ASP A 60 -1.825 6.428 2.296 1.00 0.00 O ATOM 902 CB ASP A 60 0.138 8.002 3.906 1.00 0.00 C ATOM 903 CG ASP A 60 0.057 7.766 5.415 1.00 0.00 C ATOM 904 OD1 ASP A 60 -0.916 7.102 5.834 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.969 8.255 6.116 1.00 0.00 O ATOM 0 H ASP A 60 0.255 7.643 1.181 1.00 0.00 H new ATOM 0 HA ASP A 60 1.192 6.156 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.918 8.738 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.803 8.438 3.571 1.00 0.00 H new ATOM 910 N ASN A 61 -0.892 4.790 3.544 1.00 0.00 N ATOM 911 CA ASN A 61 -2.065 3.934 3.499 1.00 0.00 C ATOM 912 C ASN A 61 -2.987 4.278 4.671 1.00 0.00 C ATOM 913 O ASN A 61 -3.508 3.385 5.338 1.00 0.00 O ATOM 914 CB ASN A 61 -1.677 2.459 3.620 1.00 0.00 C ATOM 915 CG ASN A 61 -1.106 2.155 5.006 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.706 3.036 5.749 1.00 0.00 O ATOM 917 ND2 ASN A 61 -1.090 0.861 5.313 1.00 0.00 N ATOM 0 H ASN A 61 -0.107 4.410 4.072 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.565 4.098 2.544 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.551 1.833 3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.940 2.209 2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.728 0.556 6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.440 0.174 4.645 1.00 0.00 H new ATOM 924 N GLY A 62 -3.161 5.574 4.885 1.00 0.00 N ATOM 925 CA GLY A 62 -4.011 6.046 5.964 1.00 0.00 C ATOM 926 C GLY A 62 -3.701 5.310 7.269 1.00 0.00 C ATOM 927 O GLY A 62 -4.554 5.216 8.150 1.00 0.00 O ATOM 0 H GLY A 62 -2.728 6.312 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.866 7.117 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.058 5.898 5.699 1.00 0.00 H new ATOM 931 N VAL A 63 -2.478 4.807 7.351 1.00 0.00 N ATOM 932 CA VAL A 63 -2.045 4.082 8.533 1.00 0.00 C ATOM 933 C VAL A 63 -0.565 4.372 8.791 1.00 0.00 C ATOM 934 O VAL A 63 -0.179 4.700 9.911 1.00 0.00 O ATOM 935 CB VAL A 63 -2.342 2.589 8.370 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.791 1.788 9.551 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.842 2.345 8.194 1.00 0.00 C ATOM 0 H VAL A 63 -1.773 4.887 6.618 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.599 4.416 9.410 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.838 2.244 7.467 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.016 0.731 9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.711 1.925 9.611 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.253 2.137 10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.026 1.277 8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.376 2.714 9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.194 2.870 7.306 1.00 0.00 H new ATOM 947 N THR A 64 0.223 4.241 7.734 1.00 0.00 N ATOM 948 CA THR A 64 1.652 4.485 7.831 1.00 0.00 C ATOM 949 C THR A 64 2.184 5.070 6.522 1.00 0.00 C ATOM 950 O THR A 64 1.414 5.576 5.706 1.00 0.00 O ATOM 951 CB THR A 64 2.330 3.173 8.230 1.00 0.00 C ATOM 952 OG1 THR A 64 3.690 3.537 8.448 1.00 0.00 O ATOM 953 CG2 THR A 64 2.393 2.171 7.075 1.00 0.00 C ATOM 0 H THR A 64 -0.101 3.969 6.806 1.00 0.00 H new ATOM 0 HA THR A 64 1.875 5.229 8.596 1.00 0.00 H new ATOM 0 HB THR A 64 1.793 2.728 9.068 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.202 2.745 8.713 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.883 1.258 7.412 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.382 1.938 6.740 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.958 2.603 6.249 1.00 0.00 H new ATOM 961 N LYS A 65 3.496 4.982 6.361 1.00 0.00 N ATOM 962 CA LYS A 65 4.140 5.496 5.164 1.00 0.00 C ATOM 963 C LYS A 65 4.810 4.343 4.415 1.00 0.00 C ATOM 964 O LYS A 65 5.679 3.665 4.962 1.00 0.00 O ATOM 965 CB LYS A 65 5.095 6.638 5.518 1.00 0.00 C ATOM 966 CG LYS A 65 4.460 7.997 5.217 1.00 0.00 C ATOM 967 CD LYS A 65 4.989 9.072 6.169 1.00 0.00 C ATOM 968 CE LYS A 65 6.105 9.886 5.510 1.00 0.00 C ATOM 969 NZ LYS A 65 7.225 10.090 6.455 1.00 0.00 N ATOM 0 H LYS A 65 4.131 4.562 7.040 1.00 0.00 H new ATOM 0 HA LYS A 65 3.401 5.927 4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.359 6.582 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.020 6.532 4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.673 8.282 4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.376 7.925 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.175 9.735 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.364 8.604 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.463 9.369 4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.716 10.851 5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.973 10.644 5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.883 10.602 7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.607 9.167 6.745 1.00 0.00 H new ATOM 983 N GLY A 66 4.382 4.156 3.175 1.00 0.00 N ATOM 984 CA GLY A 66 4.931 3.096 2.346 1.00 0.00 C ATOM 985 C GLY A 66 5.403 3.644 0.998 1.00 0.00 C ATOM 986 O GLY A 66 4.807 4.576 0.460 1.00 0.00 O ATOM 0 H GLY A 66 3.662 4.720 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.765 2.621 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.176 2.327 2.186 1.00 0.00 H new ATOM 990 N PHE A 67 6.468 3.042 0.491 1.00 0.00 N ATOM 991 CA PHE A 67 7.027 3.458 -0.785 1.00 0.00 C ATOM 992 C PHE A 67 6.653 2.473 -1.894 1.00 0.00 C ATOM 993 O PHE A 67 6.907 1.275 -1.778 1.00 0.00 O ATOM 994 CB PHE A 67 8.549 3.472 -0.623 1.00 0.00 C ATOM 995 CG PHE A 67 9.080 4.676 0.157 1.00 0.00 C ATOM 996 CD1 PHE A 67 8.632 4.921 1.418 1.00 0.00 C ATOM 997 CD2 PHE A 67 10.000 5.501 -0.410 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.125 6.039 2.142 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.494 6.619 0.314 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.046 6.864 1.574 1.00 0.00 C ATOM 0 H PHE A 67 6.959 2.269 0.940 1.00 0.00 H new ATOM 0 HA PHE A 67 6.638 4.438 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.859 2.558 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.010 3.460 -1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.902 4.265 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.355 5.306 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.769 6.234 3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.225 7.274 -0.136 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.421 7.714 2.124 1.00 0.00 H new ATOM 1010 N VAL A 68 6.056 3.014 -2.946 1.00 0.00 N ATOM 1011 CA VAL A 68 5.645 2.198 -4.076 1.00 0.00 C ATOM 1012 C VAL A 68 5.892 2.970 -5.373 1.00 0.00 C ATOM 1013 O VAL A 68 5.960 4.198 -5.366 1.00 0.00 O ATOM 1014 CB VAL A 68 4.187 1.766 -3.906 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.027 0.843 -2.696 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.264 2.981 -3.795 1.00 0.00 C ATOM 0 H VAL A 68 5.847 4.008 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 68 6.238 1.284 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 68 3.897 1.206 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.982 0.550 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.642 -0.047 -2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.344 1.367 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.234 2.646 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.553 3.580 -2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.346 3.584 -4.699 1.00 0.00 H new ATOM 1026 N TYR A 69 6.020 2.217 -6.456 1.00 0.00 N ATOM 1027 CA TYR A 69 6.259 2.815 -7.759 1.00 0.00 C ATOM 1028 C TYR A 69 4.945 3.247 -8.413 1.00 0.00 C ATOM 1029 O TYR A 69 3.986 2.478 -8.455 1.00 0.00 O ATOM 1030 CB TYR A 69 6.904 1.722 -8.613 1.00 0.00 C ATOM 1031 CG TYR A 69 8.115 1.055 -7.958 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.257 1.789 -7.708 1.00 0.00 C ATOM 1033 CD2 TYR A 69 8.066 -0.282 -7.617 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.396 1.161 -7.091 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.206 -0.910 -7.000 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.315 -0.158 -6.768 1.00 0.00 C ATOM 1037 OH TYR A 69 11.391 -0.751 -6.186 1.00 0.00 O ATOM 0 H TYR A 69 5.963 1.199 -6.458 1.00 0.00 H new ATOM 0 HA TYR A 69 6.890 3.699 -7.665 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.157 0.959 -8.834 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.211 2.153 -9.566 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.296 2.835 -7.975 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.173 -0.857 -7.813 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.295 1.725 -6.889 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.181 -1.955 -6.728 1.00 0.00 H new ATOM 0 HH TYR A 69 11.190 -1.694 -6.010 1.00 0.00 H new ATOM 1047 N SER A 70 4.942 4.477 -8.906 1.00 0.00 N ATOM 1048 CA SER A 70 3.762 5.020 -9.556 1.00 0.00 C ATOM 1049 C SER A 70 3.141 3.968 -10.478 1.00 0.00 C ATOM 1050 O SER A 70 1.937 3.991 -10.728 1.00 0.00 O ATOM 1051 CB SER A 70 4.101 6.285 -10.347 1.00 0.00 C ATOM 1052 OG SER A 70 5.226 6.094 -11.201 1.00 0.00 O ATOM 0 H SER A 70 5.739 5.113 -8.868 1.00 0.00 H new ATOM 0 HA SER A 70 3.041 5.289 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.239 6.582 -10.944 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.306 7.102 -9.655 1.00 0.00 H new ATOM 0 HG SER A 70 5.410 6.923 -11.690 1.00 0.00 H new ATOM 1058 N SER A 71 3.991 3.072 -10.957 1.00 0.00 N ATOM 1059 CA SER A 71 3.540 2.014 -11.845 1.00 0.00 C ATOM 1060 C SER A 71 2.415 1.217 -11.182 1.00 0.00 C ATOM 1061 O SER A 71 1.323 1.099 -11.735 1.00 0.00 O ATOM 1062 CB SER A 71 4.695 1.086 -12.226 1.00 0.00 C ATOM 1063 OG SER A 71 4.603 0.645 -13.578 1.00 0.00 O ATOM 0 H SER A 71 4.989 3.057 -10.747 1.00 0.00 H new ATOM 0 HA SER A 71 3.161 2.473 -12.758 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.641 1.606 -12.078 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.699 0.221 -11.562 1.00 0.00 H new ATOM 0 HG SER A 71 5.359 0.056 -13.782 1.00 0.00 H new ATOM 1069 N PHE A 72 2.721 0.691 -10.004 1.00 0.00 N ATOM 1070 CA PHE A 72 1.749 -0.091 -9.260 1.00 0.00 C ATOM 1071 C PHE A 72 0.588 0.785 -8.784 1.00 0.00 C ATOM 1072 O PHE A 72 -0.403 0.278 -8.261 1.00 0.00 O ATOM 1073 CB PHE A 72 2.474 -0.662 -8.039 1.00 0.00 C ATOM 1074 CG PHE A 72 3.343 -1.883 -8.346 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.799 -3.130 -8.312 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.658 -1.723 -8.654 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.605 -4.264 -8.597 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.463 -2.857 -8.939 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.920 -4.103 -8.904 1.00 0.00 C ATOM 0 H PHE A 72 3.628 0.791 -9.548 1.00 0.00 H new ATOM 0 HA PHE A 72 1.340 -0.877 -9.895 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.100 0.117 -7.604 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.735 -0.935 -7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.755 -3.257 -8.068 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.090 -0.733 -8.682 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.174 -5.254 -8.570 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.507 -2.730 -9.184 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.533 -4.965 -9.120 1.00 0.00 H new ATOM 1089 N LEU A 73 0.749 2.085 -8.984 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.273 3.036 -8.582 1.00 0.00 C ATOM 1091 C LEU A 73 -0.961 3.596 -9.829 1.00 0.00 C ATOM 1092 O LEU A 73 -0.404 3.546 -10.924 1.00 0.00 O ATOM 1093 CB LEU A 73 0.325 4.113 -7.674 1.00 0.00 C ATOM 1094 CG LEU A 73 0.702 3.665 -6.260 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.603 4.697 -5.580 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.547 3.358 -5.431 1.00 0.00 C ATOM 0 H LEU A 73 1.572 2.502 -9.419 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.041 2.541 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.217 4.513 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.390 4.932 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 73 1.273 2.740 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.856 4.354 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.516 4.822 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.080 5.651 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.251 3.042 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.166 4.252 -5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.115 2.561 -5.910 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.162 4.115 -9.620 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.931 4.683 -10.713 1.00 0.00 C ATOM 1110 C LYS A 74 -3.546 6.010 -10.263 1.00 0.00 C ATOM 1111 O LYS A 74 -3.949 6.152 -9.110 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.958 3.673 -11.228 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.916 3.248 -10.112 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.318 3.814 -10.349 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.299 2.704 -10.734 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.084 3.096 -11.926 1.00 0.00 N ATOM 0 H LYS A 74 -2.621 4.154 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.282 4.903 -11.561 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.523 4.111 -12.050 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.445 2.797 -11.625 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.963 2.160 -10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.537 3.595 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.668 4.317 -9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.283 4.564 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.753 1.783 -10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.971 2.499 -9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.744 2.332 -12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.620 3.963 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.440 3.269 -12.724 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.601 6.973 -11.222 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.161 8.283 -10.936 1.00 0.00 C ATOM 1132 C PRO A 75 -5.688 8.223 -10.860 1.00 0.00 C ATOM 1133 O PRO A 75 -6.357 8.040 -11.876 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.656 9.179 -12.055 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.221 8.245 -13.173 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.134 6.840 -12.599 1.00 0.00 C ATOM 0 HA PRO A 75 -3.853 8.669 -9.964 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.438 9.858 -12.395 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.824 9.796 -11.716 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.934 8.277 -13.997 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.256 8.554 -13.575 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.755 6.143 -13.162 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.113 6.460 -12.636 1.00 0.00 H new ATOM 1144 N TYR A 76 -6.195 8.381 -9.646 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.630 8.346 -9.424 1.00 0.00 C ATOM 1146 C TYR A 76 -8.317 9.538 -10.095 1.00 0.00 C ATOM 1147 O TYR A 76 -7.660 10.358 -10.734 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.825 8.446 -7.910 1.00 0.00 C ATOM 1149 CG TYR A 76 -9.234 8.078 -7.439 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.680 6.777 -7.549 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -10.057 9.047 -6.903 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -11.006 6.430 -7.106 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -11.383 8.700 -6.459 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.792 7.409 -6.582 1.00 0.00 C ATOM 1155 OH TYR A 76 -13.043 7.082 -6.163 1.00 0.00 O ATOM 0 H TYR A 76 -5.637 8.534 -8.806 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.061 7.436 -9.842 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.106 7.792 -7.417 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.601 9.464 -7.591 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.035 6.019 -7.967 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.707 10.065 -6.816 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.368 5.416 -7.188 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.038 9.449 -6.038 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.489 7.880 -5.811 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.630 9.595 -9.926 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.413 10.672 -10.507 1.00 0.00 C ATOM 1167 C ASN A 77 -11.813 10.669 -9.890 1.00 0.00 C ATOM 1168 O ASN A 77 -12.715 10.000 -10.391 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.562 10.492 -12.019 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.372 11.636 -12.630 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.592 11.656 -12.594 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -10.629 12.585 -13.192 1.00 0.00 N ATOM 0 H ASN A 77 -10.171 8.913 -9.395 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.897 11.611 -10.305 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.576 10.451 -12.483 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.053 9.542 -12.229 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.076 13.392 -13.628 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.612 12.506 -13.187 1.00 0.00 H new