USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 719 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 88 ZNZN :(H bumps) USER MOD Set 1.1: A 68 ASN : amide:sc= -1.11 K(o=-4.9,f=-5.5!) USER MOD Set 1.2: A 69 ASN : amide:sc= -3.75 X(o=-4.9,f=-5!) USER MOD Set 2.1: A 21 SER OG : rot 77:sc= -0.103 USER MOD Set 2.2: A 55 SER OG : rot -22:sc= -0.163 USER MOD Single : A 1 MET CE :methyl 173:sc= -1.8 (180deg=-1.89) USER MOD Single : A 1 MET N :NH3+ 174:sc= -1.51 (180deg=-1.54) USER MOD Single : A 3 GLN : amide:sc= -0.468 X(o=-0.47,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0529 USER MOD Single : A 6 SER OG : rot 130:sc= -1.52! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00706) USER MOD Single : A 12 ASN : amide:sc= -10.8! C(o=-11!,f=-9.6!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.335) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.396 (180deg=-1.15) USER MOD Single : A 23 HIS : no HD1:sc= -0.607 K(o=-0.61,f=-2.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.067 USER MOD Single : A 33 CYS SG : rot 131:sc= 0.027 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc=-0.00469 (180deg=-0.00469) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.08 K(o=-2.1,f=-5.3!) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= -1.6 (180deg=-1.74) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= -0.323 (180deg=-1.51!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -132:sc= 1.17 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 62 CYS SG : rot 31:sc= -1.32 USER MOD Single : A 64 LYS NZ :NH3+ 144:sc= -1.09 (180deg=-2.75!) USER MOD Single : A 67 CYS SG : rot -52:sc= -0.103 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc=-0.000715 X(o=-0.00072,f=-0.00036) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.807 12.769 8.242 1.00 0.00 N ATOM 2 CA MET A 1 -9.435 12.290 8.561 1.00 0.00 C ATOM 3 C MET A 1 -9.427 11.430 9.821 1.00 0.00 C ATOM 4 O MET A 1 -9.351 11.944 10.938 1.00 0.00 O ATOM 5 CB MET A 1 -8.520 13.504 8.741 1.00 0.00 C ATOM 6 CG MET A 1 -8.939 14.430 9.874 1.00 0.00 C ATOM 7 SD MET A 1 -9.288 16.108 9.312 1.00 0.00 S ATOM 8 CE MET A 1 -10.541 15.796 8.071 1.00 0.00 C ATOM 0 H1 MET A 1 -10.766 13.432 7.442 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.408 11.958 7.990 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.208 13.252 9.071 1.00 0.00 H new ATOM 0 HA MET A 1 -9.076 11.669 7.740 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.504 13.156 8.926 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.498 14.071 7.811 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.825 14.023 10.361 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.149 14.460 10.624 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.948 16.744 7.719 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.097 15.258 7.233 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.341 15.196 8.505 1.00 0.00 H new ATOM 20 N VAL A 2 -9.503 10.118 9.632 1.00 0.00 N ATOM 21 CA VAL A 2 -9.502 9.182 10.751 1.00 0.00 C ATOM 22 C VAL A 2 -8.267 8.281 10.721 1.00 0.00 C ATOM 23 O VAL A 2 -8.238 7.232 11.366 1.00 0.00 O ATOM 24 CB VAL A 2 -10.775 8.309 10.769 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.861 7.525 12.070 1.00 0.00 C ATOM 26 CG2 VAL A 2 -12.018 9.168 10.575 1.00 0.00 C ATOM 0 H VAL A 2 -9.566 9.678 8.714 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.481 9.784 11.660 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.720 7.600 9.943 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.764 6.914 12.068 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.987 6.880 12.165 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.894 8.218 12.911 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.905 8.534 10.591 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.082 9.902 11.379 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.958 9.684 9.617 1.00 0.00 H new ATOM 36 N GLN A 3 -7.247 8.696 9.970 1.00 0.00 N ATOM 37 CA GLN A 3 -6.015 7.932 9.856 1.00 0.00 C ATOM 38 C GLN A 3 -5.020 8.690 8.997 1.00 0.00 C ATOM 39 O GLN A 3 -5.377 9.267 7.971 1.00 0.00 O ATOM 40 CB GLN A 3 -6.290 6.556 9.238 1.00 0.00 C ATOM 41 CG GLN A 3 -5.042 5.747 8.887 1.00 0.00 C ATOM 42 CD GLN A 3 -4.606 4.831 10.014 1.00 0.00 C ATOM 43 OE1 GLN A 3 -4.580 3.609 9.862 1.00 0.00 O ATOM 44 NE2 GLN A 3 -4.259 5.416 11.155 1.00 0.00 N ATOM 0 H GLN A 3 -7.255 9.562 9.431 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.600 7.789 10.854 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.897 5.976 9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.883 6.692 8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.238 5.152 7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.228 6.429 8.642 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.295 6.432 11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.957 4.849 11.947 1.00 0.00 H new ATOM 53 N SER A 4 -3.774 8.685 9.425 1.00 0.00 N ATOM 54 CA SER A 4 -2.722 9.374 8.693 1.00 0.00 C ATOM 55 C SER A 4 -2.100 8.477 7.635 1.00 0.00 C ATOM 56 O SER A 4 -2.344 7.271 7.588 1.00 0.00 O ATOM 57 CB SER A 4 -1.631 9.883 9.633 1.00 0.00 C ATOM 58 OG SER A 4 -1.901 9.520 10.976 1.00 0.00 O ATOM 0 H SER A 4 -3.462 8.213 10.274 1.00 0.00 H new ATOM 0 HA SER A 4 -3.189 10.226 8.200 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.667 9.475 9.330 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.557 10.968 9.555 1.00 0.00 H new ATOM 0 HG SER A 4 -1.186 9.857 11.556 1.00 0.00 H new ATOM 64 N CYS A 5 -1.299 9.097 6.787 1.00 0.00 N ATOM 65 CA CYS A 5 -0.617 8.412 5.704 1.00 0.00 C ATOM 66 C CYS A 5 0.791 9.004 5.547 1.00 0.00 C ATOM 67 O CYS A 5 1.121 9.988 6.208 1.00 0.00 O ATOM 68 CB CYS A 5 -1.482 8.543 4.441 1.00 0.00 C ATOM 69 SG CYS A 5 -0.637 9.138 2.963 1.00 0.00 S ATOM 0 H CYS A 5 -1.102 10.097 6.831 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.486 7.349 5.905 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.917 7.568 4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.309 9.219 4.659 1.00 0.00 H new ATOM 74 N SER A 6 1.630 8.401 4.706 1.00 0.00 N ATOM 75 CA SER A 6 2.995 8.893 4.532 1.00 0.00 C ATOM 76 C SER A 6 3.021 10.186 3.733 1.00 0.00 C ATOM 77 O SER A 6 3.718 11.136 4.089 1.00 0.00 O ATOM 78 CB SER A 6 3.861 7.841 3.846 1.00 0.00 C ATOM 79 OG SER A 6 5.226 8.219 3.872 1.00 0.00 O ATOM 0 H SER A 6 1.394 7.584 4.143 1.00 0.00 H new ATOM 0 HA SER A 6 3.399 9.096 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.736 6.879 4.344 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.534 7.711 2.814 1.00 0.00 H new ATOM 0 HG SER A 6 5.766 7.473 4.207 1.00 0.00 H new ATOM 85 N ALA A 7 2.261 10.207 2.649 1.00 0.00 N ATOM 86 CA ALA A 7 2.184 11.379 1.775 1.00 0.00 C ATOM 87 C ALA A 7 2.149 12.679 2.580 1.00 0.00 C ATOM 88 O ALA A 7 1.209 12.932 3.333 1.00 0.00 O ATOM 89 CB ALA A 7 0.966 11.285 0.870 1.00 0.00 C ATOM 0 H ALA A 7 1.683 9.422 2.348 1.00 0.00 H new ATOM 0 HA ALA A 7 3.083 11.393 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.922 12.163 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.038 10.388 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.063 11.236 1.479 1.00 0.00 H new ATOM 95 N TYR A 8 3.187 13.495 2.416 1.00 0.00 N ATOM 96 CA TYR A 8 3.293 14.766 3.126 1.00 0.00 C ATOM 97 C TYR A 8 2.048 15.627 2.922 1.00 0.00 C ATOM 98 O TYR A 8 1.606 15.843 1.794 1.00 0.00 O ATOM 99 CB TYR A 8 4.532 15.529 2.654 1.00 0.00 C ATOM 100 CG TYR A 8 4.950 16.642 3.587 1.00 0.00 C ATOM 101 CD1 TYR A 8 4.427 17.921 3.451 1.00 0.00 C ATOM 102 CD2 TYR A 8 5.866 16.412 4.604 1.00 0.00 C ATOM 103 CE1 TYR A 8 4.807 18.941 4.302 1.00 0.00 C ATOM 104 CE2 TYR A 8 6.252 17.427 5.461 1.00 0.00 C ATOM 105 CZ TYR A 8 5.718 18.689 5.306 1.00 0.00 C ATOM 106 OH TYR A 8 6.099 19.702 6.157 1.00 0.00 O ATOM 0 H TYR A 8 3.971 13.297 1.794 1.00 0.00 H new ATOM 0 HA TYR A 8 3.382 14.546 4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.360 14.828 2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.336 15.948 1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.712 18.122 2.667 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.284 15.424 4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.392 19.931 4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.967 17.232 6.247 1.00 0.00 H new ATOM 0 HH TYR A 8 6.746 19.357 6.807 1.00 0.00 H new ATOM 116 N GLY A 9 1.490 16.122 4.026 1.00 0.00 N ATOM 117 CA GLY A 9 0.306 16.962 3.954 1.00 0.00 C ATOM 118 C GLY A 9 -0.795 16.350 3.117 1.00 0.00 C ATOM 119 O GLY A 9 -1.364 17.005 2.244 1.00 0.00 O ATOM 0 H GLY A 9 1.838 15.955 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.068 17.143 4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.578 17.931 3.536 1.00 0.00 H new ATOM 123 N CYS A 10 -1.085 15.092 3.384 1.00 0.00 N ATOM 124 CA CYS A 10 -2.116 14.370 2.658 1.00 0.00 C ATOM 125 C CYS A 10 -3.512 14.759 3.154 1.00 0.00 C ATOM 126 O CYS A 10 -3.663 15.291 4.253 1.00 0.00 O ATOM 127 CB CYS A 10 -1.892 12.861 2.797 1.00 0.00 C ATOM 128 SG CYS A 10 -3.015 11.869 1.791 1.00 0.00 S ATOM 0 H CYS A 10 -0.617 14.543 4.105 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.052 14.640 1.604 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.865 12.627 2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.010 12.579 3.843 1.00 0.00 H new ATOM 133 N LYS A 11 -4.527 14.493 2.331 1.00 0.00 N ATOM 134 CA LYS A 11 -5.903 14.815 2.674 1.00 0.00 C ATOM 135 C LYS A 11 -6.749 13.551 2.766 1.00 0.00 C ATOM 136 O LYS A 11 -7.952 13.569 2.511 1.00 0.00 O ATOM 137 CB LYS A 11 -6.498 15.769 1.636 1.00 0.00 C ATOM 138 CG LYS A 11 -7.444 16.797 2.227 1.00 0.00 C ATOM 139 CD LYS A 11 -6.694 18.044 2.661 1.00 0.00 C ATOM 140 CE LYS A 11 -7.548 18.918 3.565 1.00 0.00 C ATOM 141 NZ LYS A 11 -8.760 19.428 2.865 1.00 0.00 N ATOM 0 H LYS A 11 -4.415 14.053 1.418 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.905 15.303 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.687 16.286 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.031 15.187 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.203 17.063 1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.966 16.367 3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.782 17.758 3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.392 18.613 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.850 18.346 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.954 19.760 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.279 20.073 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.475 19.938 2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.374 18.629 2.607 1.00 0.00 H new ATOM 155 N ASN A 12 -6.099 12.456 3.129 1.00 0.00 N ATOM 156 CA ASN A 12 -6.746 11.160 3.263 1.00 0.00 C ATOM 157 C ASN A 12 -7.899 11.187 4.261 1.00 0.00 C ATOM 158 O ASN A 12 -8.109 12.173 4.967 1.00 0.00 O ATOM 159 CB ASN A 12 -5.711 10.144 3.725 1.00 0.00 C ATOM 160 CG ASN A 12 -5.326 10.332 5.185 1.00 0.00 C ATOM 161 OD1 ASN A 12 -6.159 10.648 6.034 1.00 0.00 O ATOM 162 ND2 ASN A 12 -4.059 10.131 5.480 1.00 0.00 N ATOM 0 H ASN A 12 -5.101 12.442 3.340 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.160 10.889 2.292 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.105 9.138 3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.820 10.229 3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.736 10.236 6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.400 9.870 4.747 1.00 0.00 H new ATOM 169 N ARG A 13 -8.621 10.071 4.329 1.00 0.00 N ATOM 170 CA ARG A 13 -9.736 9.933 5.268 1.00 0.00 C ATOM 171 C ARG A 13 -10.199 8.483 5.387 1.00 0.00 C ATOM 172 O ARG A 13 -10.728 7.909 4.433 1.00 0.00 O ATOM 173 CB ARG A 13 -10.920 10.822 4.868 1.00 0.00 C ATOM 174 CG ARG A 13 -10.991 11.151 3.383 1.00 0.00 C ATOM 175 CD ARG A 13 -10.747 12.629 3.131 1.00 0.00 C ATOM 176 NE ARG A 13 -11.672 13.474 3.881 1.00 0.00 N ATOM 177 CZ ARG A 13 -12.927 13.714 3.509 1.00 0.00 C ATOM 178 NH1 ARG A 13 -13.411 13.174 2.398 1.00 0.00 N ATOM 179 NH2 ARG A 13 -13.699 14.497 4.251 1.00 0.00 N ATOM 0 H ARG A 13 -8.456 9.250 3.747 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.366 10.258 6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.845 10.326 5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.865 11.754 5.431 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.251 10.561 2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.969 10.870 2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.723 12.879 3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.849 12.836 2.066 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.336 13.906 4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.820 12.572 1.824 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.374 13.361 2.117 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.331 14.914 5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.661 14.682 3.967 1.00 0.00 H new ATOM 193 N TYR A 14 -10.002 7.899 6.569 1.00 0.00 N ATOM 194 CA TYR A 14 -10.400 6.525 6.829 1.00 0.00 C ATOM 195 C TYR A 14 -11.826 6.473 7.374 1.00 0.00 C ATOM 196 O TYR A 14 -12.035 6.452 8.585 1.00 0.00 O ATOM 197 CB TYR A 14 -9.429 5.914 7.834 1.00 0.00 C ATOM 198 CG TYR A 14 -9.524 4.408 7.966 1.00 0.00 C ATOM 199 CD1 TYR A 14 -10.656 3.800 8.501 1.00 0.00 C ATOM 200 CD2 TYR A 14 -8.473 3.593 7.564 1.00 0.00 C ATOM 201 CE1 TYR A 14 -10.735 2.426 8.628 1.00 0.00 C ATOM 202 CE2 TYR A 14 -8.546 2.219 7.688 1.00 0.00 C ATOM 203 CZ TYR A 14 -9.677 1.641 8.220 1.00 0.00 C ATOM 204 OH TYR A 14 -9.754 0.273 8.346 1.00 0.00 O ATOM 0 H TYR A 14 -9.565 8.365 7.364 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.374 5.958 5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.412 6.177 7.543 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.607 6.363 8.811 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.486 4.412 8.822 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.583 4.042 7.147 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.621 1.969 9.045 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.720 1.601 7.369 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.927 -0.133 8.012 1.00 0.00 H new ATOM 214 N ASP A 15 -12.807 6.463 6.475 1.00 0.00 N ATOM 215 CA ASP A 15 -14.207 6.421 6.883 1.00 0.00 C ATOM 216 C ASP A 15 -14.936 5.244 6.242 1.00 0.00 C ATOM 217 O ASP A 15 -14.541 4.758 5.182 1.00 0.00 O ATOM 218 CB ASP A 15 -14.909 7.728 6.522 1.00 0.00 C ATOM 219 CG ASP A 15 -16.240 7.882 7.231 1.00 0.00 C ATOM 220 OD1 ASP A 15 -16.326 7.509 8.420 1.00 0.00 O ATOM 221 OD2 ASP A 15 -17.197 8.375 6.597 1.00 0.00 O ATOM 0 H ASP A 15 -12.659 6.483 5.466 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.233 6.290 7.965 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.263 8.568 6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.067 7.767 5.444 1.00 0.00 H new ATOM 226 N LYS A 16 -16.001 4.793 6.896 1.00 0.00 N ATOM 227 CA LYS A 16 -16.793 3.673 6.397 1.00 0.00 C ATOM 228 C LYS A 16 -17.370 3.984 5.024 1.00 0.00 C ATOM 229 O LYS A 16 -17.547 3.096 4.190 1.00 0.00 O ATOM 230 CB LYS A 16 -17.924 3.352 7.374 1.00 0.00 C ATOM 231 CG LYS A 16 -18.816 2.207 6.926 1.00 0.00 C ATOM 232 CD LYS A 16 -18.320 0.881 7.474 1.00 0.00 C ATOM 233 CE LYS A 16 -18.784 -0.294 6.625 1.00 0.00 C ATOM 234 NZ LYS A 16 -20.193 -0.133 6.169 1.00 0.00 N ATOM 0 H LYS A 16 -16.337 5.187 7.775 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.137 2.807 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.494 3.106 8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.536 4.244 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.837 2.384 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.842 2.167 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.231 0.890 7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.678 0.754 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -18.132 -0.394 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -18.693 -1.215 7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.551 -1.045 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.781 0.188 6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.232 0.571 5.404 1.00 0.00 H new ATOM 248 N ASP A 17 -17.660 5.253 4.804 1.00 0.00 N ATOM 249 CA ASP A 17 -18.219 5.711 3.544 1.00 0.00 C ATOM 250 C ASP A 17 -17.122 5.861 2.501 1.00 0.00 C ATOM 251 O ASP A 17 -17.202 5.299 1.409 1.00 0.00 O ATOM 252 CB ASP A 17 -18.922 7.049 3.756 1.00 0.00 C ATOM 253 CG ASP A 17 -20.424 6.945 3.574 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.980 5.859 3.836 1.00 0.00 O ATOM 255 OD2 ASP A 17 -21.043 7.952 3.170 1.00 0.00 O ATOM 0 H ASP A 17 -17.516 5.993 5.490 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.939 4.975 3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.704 7.416 4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.523 7.782 3.055 1.00 0.00 H new ATOM 260 N LYS A 18 -16.096 6.623 2.855 1.00 0.00 N ATOM 261 CA LYS A 18 -14.972 6.854 1.959 1.00 0.00 C ATOM 262 C LYS A 18 -14.242 5.545 1.665 1.00 0.00 C ATOM 263 O LYS A 18 -13.636 4.954 2.558 1.00 0.00 O ATOM 264 CB LYS A 18 -14.005 7.864 2.578 1.00 0.00 C ATOM 265 CG LYS A 18 -12.838 8.226 1.671 1.00 0.00 C ATOM 266 CD LYS A 18 -13.020 9.601 1.048 1.00 0.00 C ATOM 267 CE LYS A 18 -13.619 9.506 -0.347 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.784 8.670 -1.253 1.00 0.00 N ATOM 0 H LYS A 18 -16.019 7.092 3.758 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.355 7.256 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.553 8.772 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.616 7.457 3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.911 8.205 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.743 7.479 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.667 10.206 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.057 10.109 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.622 9.083 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.721 10.506 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.940 8.963 -2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.780 8.792 -1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.048 7.670 -1.144 1.00 0.00 H new ATOM 282 N PRO A 19 -14.294 5.065 0.408 1.00 0.00 N ATOM 283 CA PRO A 19 -13.642 3.811 0.002 1.00 0.00 C ATOM 284 C PRO A 19 -12.122 3.897 -0.039 1.00 0.00 C ATOM 285 O PRO A 19 -11.474 3.297 -0.896 1.00 0.00 O ATOM 286 CB PRO A 19 -14.164 3.592 -1.406 1.00 0.00 C ATOM 287 CG PRO A 19 -14.458 4.972 -1.896 1.00 0.00 C ATOM 288 CD PRO A 19 -15.005 5.687 -0.719 1.00 0.00 C ATOM 0 HA PRO A 19 -13.862 3.012 0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.425 3.094 -2.034 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.058 2.968 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.557 5.459 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.175 4.955 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.814 6.759 -0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.084 5.559 -0.635 1.00 0.00 H new ATOM 296 N VAL A 20 -11.572 4.644 0.885 1.00 0.00 N ATOM 297 CA VAL A 20 -10.131 4.827 0.975 1.00 0.00 C ATOM 298 C VAL A 20 -9.530 3.912 2.042 1.00 0.00 C ATOM 299 O VAL A 20 -9.830 4.040 3.228 1.00 0.00 O ATOM 300 CB VAL A 20 -9.772 6.312 1.268 1.00 0.00 C ATOM 301 CG1 VAL A 20 -8.895 6.462 2.507 1.00 0.00 C ATOM 302 CG2 VAL A 20 -9.094 6.940 0.062 1.00 0.00 C ATOM 0 H VAL A 20 -12.102 5.145 1.598 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.702 4.557 0.010 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.707 6.836 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.672 7.516 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.421 6.065 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.965 5.912 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.849 7.979 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.180 6.392 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.766 6.900 -0.795 1.00 0.00 H new ATOM 312 N SER A 21 -8.671 2.996 1.609 1.00 0.00 N ATOM 313 CA SER A 21 -8.018 2.074 2.526 1.00 0.00 C ATOM 314 C SER A 21 -6.574 2.499 2.755 1.00 0.00 C ATOM 315 O SER A 21 -6.029 3.302 1.998 1.00 0.00 O ATOM 316 CB SER A 21 -8.064 0.644 1.984 1.00 0.00 C ATOM 317 OG SER A 21 -8.127 0.635 0.569 1.00 0.00 O ATOM 0 H SER A 21 -8.412 2.873 0.630 1.00 0.00 H new ATOM 0 HA SER A 21 -8.553 2.099 3.476 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.180 0.098 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.931 0.125 2.393 1.00 0.00 H new ATOM 0 HG SER A 21 -7.241 0.836 0.201 1.00 0.00 H new ATOM 323 N PHE A 22 -5.956 1.965 3.800 1.00 0.00 N ATOM 324 CA PHE A 22 -4.575 2.304 4.115 1.00 0.00 C ATOM 325 C PHE A 22 -3.695 1.062 4.093 1.00 0.00 C ATOM 326 O PHE A 22 -4.144 -0.040 4.409 1.00 0.00 O ATOM 327 CB PHE A 22 -4.497 3.008 5.469 1.00 0.00 C ATOM 328 CG PHE A 22 -4.959 4.439 5.403 1.00 0.00 C ATOM 329 CD1 PHE A 22 -6.263 4.740 5.040 1.00 0.00 C ATOM 330 CD2 PHE A 22 -4.089 5.482 5.683 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.692 6.052 4.960 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.513 6.797 5.601 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.815 7.082 5.239 1.00 0.00 C ATOM 0 H PHE A 22 -6.387 1.299 4.441 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.204 2.988 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.106 2.466 6.192 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.470 2.978 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.952 3.939 4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.070 5.266 5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.712 6.271 4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.825 7.601 5.820 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.147 8.108 5.174 1.00 0.00 H new ATOM 343 N HIS A 23 -2.445 1.248 3.689 1.00 0.00 N ATOM 344 CA HIS A 23 -1.501 0.141 3.591 1.00 0.00 C ATOM 345 C HIS A 23 -0.179 0.462 4.284 1.00 0.00 C ATOM 346 O HIS A 23 0.197 1.621 4.410 1.00 0.00 O ATOM 347 CB HIS A 23 -1.237 -0.178 2.120 1.00 0.00 C ATOM 348 CG HIS A 23 -2.479 -0.215 1.285 1.00 0.00 C ATOM 349 ND1 HIS A 23 -2.968 -1.369 0.712 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.338 0.772 0.932 1.00 0.00 C ATOM 351 CE1 HIS A 23 -4.073 -1.092 0.043 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.319 0.200 0.161 1.00 0.00 N ATOM 0 H HIS A 23 -2.061 2.155 3.424 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.944 -0.720 4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.556 0.568 1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.733 -1.142 2.050 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.264 1.814 1.206 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.673 -1.802 -0.507 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.110 0.693 -0.254 1.00 0.00 H new ATOM 361 N LYS A 24 0.530 -0.580 4.710 1.00 0.00 N ATOM 362 CA LYS A 24 1.824 -0.415 5.366 1.00 0.00 C ATOM 363 C LYS A 24 2.946 -0.725 4.382 1.00 0.00 C ATOM 364 O LYS A 24 2.727 -1.430 3.397 1.00 0.00 O ATOM 365 CB LYS A 24 1.925 -1.331 6.586 1.00 0.00 C ATOM 366 CG LYS A 24 2.015 -0.572 7.899 1.00 0.00 C ATOM 367 CD LYS A 24 1.009 -1.090 8.910 1.00 0.00 C ATOM 368 CE LYS A 24 1.605 -2.193 9.768 1.00 0.00 C ATOM 369 NZ LYS A 24 1.168 -2.092 11.188 1.00 0.00 N ATOM 0 H LYS A 24 0.229 -1.550 4.612 1.00 0.00 H new ATOM 0 HA LYS A 24 1.919 0.618 5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.055 -1.987 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.803 -1.969 6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.022 -0.664 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.840 0.489 7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.676 -0.271 9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.129 -1.467 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.312 -3.163 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.693 -2.143 9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.597 -2.863 11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.470 -1.177 11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.132 -2.166 11.238 1.00 0.00 H new ATOM 383 N PHE A 25 4.148 -0.206 4.635 1.00 0.00 N ATOM 384 CA PHE A 25 5.262 -0.466 3.733 1.00 0.00 C ATOM 385 C PHE A 25 5.504 -1.967 3.626 1.00 0.00 C ATOM 386 O PHE A 25 5.610 -2.665 4.633 1.00 0.00 O ATOM 387 CB PHE A 25 6.524 0.287 4.160 1.00 0.00 C ATOM 388 CG PHE A 25 6.867 1.394 3.196 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.301 2.652 3.335 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.730 1.167 2.133 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.588 3.662 2.432 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.026 2.175 1.231 1.00 0.00 C ATOM 393 CZ PHE A 25 7.452 3.423 1.379 1.00 0.00 C ATOM 0 H PHE A 25 4.369 0.383 5.438 1.00 0.00 H new ATOM 0 HA PHE A 25 5.001 -0.090 2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.379 0.704 5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.359 -0.410 4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.628 2.847 4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.176 0.192 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.137 4.636 2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.705 1.986 0.413 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.677 4.210 0.674 1.00 0.00 H new ATOM 403 N PRO A 26 5.536 -2.487 2.388 1.00 0.00 N ATOM 404 CA PRO A 26 5.697 -3.916 2.125 1.00 0.00 C ATOM 405 C PRO A 26 7.149 -4.355 1.979 1.00 0.00 C ATOM 406 O PRO A 26 8.022 -3.561 1.628 1.00 0.00 O ATOM 407 CB PRO A 26 4.958 -4.042 0.802 1.00 0.00 C ATOM 408 CG PRO A 26 5.351 -2.809 0.077 1.00 0.00 C ATOM 409 CD PRO A 26 5.364 -1.730 1.127 1.00 0.00 C ATOM 0 HA PRO A 26 5.328 -4.543 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.254 -4.940 0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.879 -4.098 0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.331 -2.919 -0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.644 -2.577 -0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.178 -1.023 0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.438 -1.155 1.125 1.00 0.00 H new ATOM 417 N LEU A 27 7.393 -5.636 2.248 1.00 0.00 N ATOM 418 CA LEU A 27 8.724 -6.204 2.147 1.00 0.00 C ATOM 419 C LEU A 27 8.812 -7.186 0.979 1.00 0.00 C ATOM 420 O LEU A 27 9.893 -7.424 0.439 1.00 0.00 O ATOM 421 CB LEU A 27 9.106 -6.905 3.455 1.00 0.00 C ATOM 422 CG LEU A 27 9.107 -6.005 4.691 1.00 0.00 C ATOM 423 CD1 LEU A 27 8.902 -6.830 5.953 1.00 0.00 C ATOM 424 CD2 LEU A 27 10.405 -5.215 4.774 1.00 0.00 C ATOM 0 H LEU A 27 6.676 -6.300 2.539 1.00 0.00 H new ATOM 0 HA LEU A 27 9.426 -5.390 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.413 -7.729 3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.098 -7.341 3.340 1.00 0.00 H new ATOM 0 HG LEU A 27 8.280 -5.300 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.906 -6.172 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.946 -7.351 5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.707 -7.559 6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.388 -4.580 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.247 -5.904 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.511 -4.594 3.884 1.00 0.00 H new ATOM 436 N THR A 28 7.669 -7.750 0.586 1.00 0.00 N ATOM 437 CA THR A 28 7.628 -8.697 -0.524 1.00 0.00 C ATOM 438 C THR A 28 7.981 -7.994 -1.828 1.00 0.00 C ATOM 439 O THR A 28 8.549 -8.595 -2.739 1.00 0.00 O ATOM 440 CB THR A 28 6.244 -9.338 -0.630 1.00 0.00 C ATOM 441 OG1 THR A 28 5.236 -8.347 -0.712 1.00 0.00 O ATOM 442 CG2 THR A 28 5.910 -10.238 0.539 1.00 0.00 C ATOM 0 H THR A 28 6.764 -7.567 1.019 1.00 0.00 H new ATOM 0 HA THR A 28 8.361 -9.482 -0.336 1.00 0.00 H new ATOM 0 HB THR A 28 6.276 -9.943 -1.536 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.358 -8.778 -0.781 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.915 -10.660 0.400 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.641 -11.044 0.598 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.933 -9.659 1.462 1.00 0.00 H new ATOM 450 N ARG A 29 7.639 -6.712 -1.898 1.00 0.00 N ATOM 451 CA ARG A 29 7.908 -5.889 -3.061 1.00 0.00 C ATOM 452 C ARG A 29 9.073 -4.949 -2.753 1.00 0.00 C ATOM 453 O ARG A 29 8.875 -3.923 -2.113 1.00 0.00 O ATOM 454 CB ARG A 29 6.642 -5.102 -3.393 1.00 0.00 C ATOM 455 CG ARG A 29 6.792 -4.176 -4.579 1.00 0.00 C ATOM 456 CD ARG A 29 6.713 -2.726 -4.141 1.00 0.00 C ATOM 457 NE ARG A 29 5.364 -2.178 -4.309 1.00 0.00 N ATOM 458 CZ ARG A 29 5.073 -0.998 -4.880 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.028 -0.156 -5.288 1.00 0.00 N ATOM 460 NH2 ARG A 29 3.807 -0.656 -5.031 1.00 0.00 N ATOM 0 H ARG A 29 7.165 -6.216 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 29 8.183 -6.503 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.831 -5.803 -3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.351 -4.516 -2.521 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.746 -4.361 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.010 -4.383 -5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.010 -2.646 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.421 -2.133 -4.720 1.00 0.00 H new ATOM 0 HE ARG A 29 4.584 -2.738 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.010 -0.403 -5.169 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.774 0.733 -5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.068 -1.284 -4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.568 0.237 -5.463 1.00 0.00 H new ATOM 474 N PRO A 30 10.313 -5.320 -3.157 1.00 0.00 N ATOM 475 CA PRO A 30 11.521 -4.534 -2.883 1.00 0.00 C ATOM 476 C PRO A 30 11.940 -3.558 -3.989 1.00 0.00 C ATOM 477 O PRO A 30 11.832 -2.347 -3.820 1.00 0.00 O ATOM 478 CB PRO A 30 12.558 -5.619 -2.700 1.00 0.00 C ATOM 479 CG PRO A 30 12.128 -6.741 -3.599 1.00 0.00 C ATOM 480 CD PRO A 30 10.647 -6.562 -3.872 1.00 0.00 C ATOM 0 HA PRO A 30 11.374 -3.868 -2.033 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.552 -5.261 -2.968 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.606 -5.945 -1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.694 -6.725 -4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.317 -7.705 -3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.443 -6.478 -4.939 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.066 -7.407 -3.502 1.00 0.00 H new ATOM 488 N SER A 31 12.434 -4.068 -5.117 1.00 0.00 N ATOM 489 CA SER A 31 12.865 -3.194 -6.211 1.00 0.00 C ATOM 490 C SER A 31 11.770 -2.198 -6.531 1.00 0.00 C ATOM 491 O SER A 31 11.975 -0.984 -6.503 1.00 0.00 O ATOM 492 CB SER A 31 13.216 -4.016 -7.451 1.00 0.00 C ATOM 493 OG SER A 31 12.486 -5.230 -7.481 1.00 0.00 O ATOM 0 H SER A 31 12.545 -5.066 -5.297 1.00 0.00 H new ATOM 0 HA SER A 31 13.758 -2.653 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.001 -3.436 -8.349 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.285 -4.230 -7.459 1.00 0.00 H new ATOM 0 HG SER A 31 12.727 -5.737 -8.284 1.00 0.00 H new ATOM 499 N LEU A 32 10.594 -2.732 -6.772 1.00 0.00 N ATOM 500 CA LEU A 32 9.425 -1.927 -7.042 1.00 0.00 C ATOM 501 C LEU A 32 9.191 -1.001 -5.853 1.00 0.00 C ATOM 502 O LEU A 32 8.760 0.139 -6.000 1.00 0.00 O ATOM 503 CB LEU A 32 8.229 -2.846 -7.239 1.00 0.00 C ATOM 504 CG LEU A 32 6.873 -2.159 -7.446 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.030 -0.793 -8.093 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.967 -3.030 -8.293 1.00 0.00 C ATOM 0 H LEU A 32 10.421 -3.737 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 32 9.566 -1.330 -7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.425 -3.483 -8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.153 -3.500 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 32 6.423 -2.016 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.048 -0.337 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.644 -0.157 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.511 -0.904 -9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.008 -2.531 -8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.431 -3.201 -9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.809 -3.985 -7.793 1.00 0.00 H new ATOM 518 N CYS A 33 9.490 -1.522 -4.659 1.00 0.00 N ATOM 519 CA CYS A 33 9.328 -0.769 -3.416 1.00 0.00 C ATOM 520 C CYS A 33 9.983 0.596 -3.510 1.00 0.00 C ATOM 521 O CYS A 33 9.509 1.566 -2.922 1.00 0.00 O ATOM 522 CB CYS A 33 9.945 -1.533 -2.255 1.00 0.00 C ATOM 523 SG CYS A 33 9.204 -1.161 -0.648 1.00 0.00 S ATOM 0 H CYS A 33 9.848 -2.468 -4.529 1.00 0.00 H new ATOM 0 HA CYS A 33 8.259 -0.637 -3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.852 -2.602 -2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.011 -1.309 -2.212 1.00 0.00 H new ATOM 0 HG CYS A 33 8.911 -2.271 -0.038 1.00 0.00 H new ATOM 529 N LYS A 34 11.067 0.674 -4.268 1.00 0.00 N ATOM 530 CA LYS A 34 11.766 1.929 -4.451 1.00 0.00 C ATOM 531 C LYS A 34 10.752 2.972 -4.887 1.00 0.00 C ATOM 532 O LYS A 34 10.793 4.128 -4.467 1.00 0.00 O ATOM 533 CB LYS A 34 12.881 1.762 -5.502 1.00 0.00 C ATOM 534 CG LYS A 34 13.398 3.077 -6.074 1.00 0.00 C ATOM 535 CD LYS A 34 14.488 2.854 -7.119 1.00 0.00 C ATOM 536 CE LYS A 34 14.126 1.753 -8.111 1.00 0.00 C ATOM 537 NZ LYS A 34 14.705 2.008 -9.458 1.00 0.00 N ATOM 0 H LYS A 34 11.478 -0.117 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 34 12.237 2.247 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.713 1.222 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.506 1.145 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.571 3.627 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.790 3.695 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.664 3.784 -7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.421 2.595 -6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.486 0.794 -7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.041 1.678 -8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.436 1.238 -10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.342 2.910 -9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.742 2.054 -9.387 1.00 0.00 H new ATOM 551 N GLU A 35 9.811 2.521 -5.704 1.00 0.00 N ATOM 552 CA GLU A 35 8.748 3.359 -6.192 1.00 0.00 C ATOM 553 C GLU A 35 7.998 3.965 -5.031 1.00 0.00 C ATOM 554 O GLU A 35 7.662 5.151 -5.023 1.00 0.00 O ATOM 555 CB GLU A 35 7.784 2.539 -7.048 1.00 0.00 C ATOM 556 CG GLU A 35 8.455 1.922 -8.243 1.00 0.00 C ATOM 557 CD GLU A 35 7.503 1.693 -9.401 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.462 2.380 -9.458 1.00 0.00 O ATOM 559 OE2 GLU A 35 7.801 0.829 -10.252 1.00 0.00 O ATOM 0 H GLU A 35 9.771 1.560 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 35 9.179 4.154 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.341 1.752 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.968 3.179 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.269 2.569 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.901 0.971 -7.952 1.00 0.00 H new ATOM 566 N TRP A 36 7.762 3.128 -4.034 1.00 0.00 N ATOM 567 CA TRP A 36 7.060 3.559 -2.837 1.00 0.00 C ATOM 568 C TRP A 36 7.790 4.717 -2.199 1.00 0.00 C ATOM 569 O TRP A 36 7.164 5.638 -1.672 1.00 0.00 O ATOM 570 CB TRP A 36 6.864 2.415 -1.866 1.00 0.00 C ATOM 571 CG TRP A 36 5.529 1.757 -1.997 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.889 1.389 -3.140 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.664 1.410 -0.923 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.677 0.812 -2.835 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.522 0.814 -1.470 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.750 1.541 0.452 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.479 0.352 -0.662 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.713 1.084 1.225 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.606 0.501 0.673 1.00 0.00 C ATOM 0 H TRP A 36 8.046 2.148 -4.030 1.00 0.00 H new ATOM 0 HA TRP A 36 6.065 3.899 -3.123 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.646 1.672 -2.026 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.981 2.786 -0.848 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.275 1.529 -4.139 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.006 0.444 -3.510 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.618 1.995 0.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.602 -0.108 -1.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.772 1.187 2.298 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.815 0.152 1.320 1.00 0.00 H new ATOM 590 N GLU A 37 9.115 4.709 -2.298 1.00 0.00 N ATOM 591 CA GLU A 37 9.895 5.809 -1.757 1.00 0.00 C ATOM 592 C GLU A 37 9.374 7.121 -2.318 1.00 0.00 C ATOM 593 O GLU A 37 9.216 8.109 -1.599 1.00 0.00 O ATOM 594 CB GLU A 37 11.368 5.631 -2.108 1.00 0.00 C ATOM 595 CG GLU A 37 11.952 4.324 -1.605 1.00 0.00 C ATOM 596 CD GLU A 37 13.301 4.505 -0.937 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.490 5.531 -0.251 1.00 0.00 O ATOM 598 OE2 GLU A 37 14.169 3.620 -1.099 1.00 0.00 O ATOM 0 H GLU A 37 9.660 3.968 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 37 9.799 5.820 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.485 5.680 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.937 6.460 -1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.259 3.869 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.055 3.631 -2.440 1.00 0.00 H new ATOM 605 N ALA A 38 9.070 7.101 -3.606 1.00 0.00 N ATOM 606 CA ALA A 38 8.531 8.273 -4.277 1.00 0.00 C ATOM 607 C ALA A 38 7.193 8.639 -3.669 1.00 0.00 C ATOM 608 O ALA A 38 6.858 9.812 -3.514 1.00 0.00 O ATOM 609 CB ALA A 38 8.393 8.019 -5.770 1.00 0.00 C ATOM 0 H ALA A 38 9.187 6.286 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 38 9.219 9.107 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.988 8.908 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.371 7.790 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.720 7.177 -5.935 1.00 0.00 H new ATOM 615 N ALA A 39 6.447 7.612 -3.297 1.00 0.00 N ATOM 616 CA ALA A 39 5.148 7.780 -2.675 1.00 0.00 C ATOM 617 C ALA A 39 5.251 8.687 -1.461 1.00 0.00 C ATOM 618 O ALA A 39 4.278 9.328 -1.064 1.00 0.00 O ATOM 619 CB ALA A 39 4.598 6.426 -2.261 1.00 0.00 C ATOM 0 H ALA A 39 6.727 6.639 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 39 4.473 8.240 -3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.622 6.557 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.497 5.790 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.280 5.958 -1.551 1.00 0.00 H new ATOM 625 N VAL A 40 6.434 8.714 -0.859 1.00 0.00 N ATOM 626 CA VAL A 40 6.658 9.516 0.324 1.00 0.00 C ATOM 627 C VAL A 40 7.084 10.936 -0.030 1.00 0.00 C ATOM 628 O VAL A 40 6.394 11.901 0.303 1.00 0.00 O ATOM 629 CB VAL A 40 7.722 8.857 1.228 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.015 9.701 2.460 1.00 0.00 C ATOM 631 CG2 VAL A 40 7.278 7.460 1.628 1.00 0.00 C ATOM 0 H VAL A 40 7.249 8.188 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 40 5.713 9.574 0.864 1.00 0.00 H new ATOM 0 HB VAL A 40 8.647 8.784 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.768 9.204 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.385 10.679 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.101 9.826 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.037 7.006 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.335 7.520 2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.143 6.851 0.734 1.00 0.00 H new ATOM 641 N ARG A 41 8.221 11.061 -0.700 1.00 0.00 N ATOM 642 CA ARG A 41 8.730 12.372 -1.088 1.00 0.00 C ATOM 643 C ARG A 41 8.968 13.247 0.143 1.00 0.00 C ATOM 644 O ARG A 41 8.972 14.473 0.054 1.00 0.00 O ATOM 645 CB ARG A 41 7.746 13.049 -2.035 1.00 0.00 C ATOM 646 CG ARG A 41 8.388 13.881 -3.142 1.00 0.00 C ATOM 647 CD ARG A 41 9.333 14.940 -2.595 1.00 0.00 C ATOM 648 NE ARG A 41 10.566 14.363 -2.065 1.00 0.00 N ATOM 649 CZ ARG A 41 11.504 13.793 -2.820 1.00 0.00 C ATOM 650 NH1 ARG A 41 11.356 13.728 -4.138 1.00 0.00 N ATOM 651 NH2 ARG A 41 12.594 13.291 -2.256 1.00 0.00 N ATOM 0 H ARG A 41 8.807 10.276 -0.986 1.00 0.00 H new ATOM 0 HA ARG A 41 9.683 12.238 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.120 12.283 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.088 13.693 -1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.935 13.223 -3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.607 14.363 -3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.577 15.649 -3.386 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.830 15.501 -1.808 1.00 0.00 H new ATOM 0 HE ARG A 41 10.718 14.399 -1.057 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.521 14.116 -4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.077 13.290 -4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.714 13.341 -1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.312 12.854 -2.834 1.00 0.00 H new ATOM 665 N ARG A 42 9.164 12.608 1.294 1.00 0.00 N ATOM 666 CA ARG A 42 9.401 13.337 2.538 1.00 0.00 C ATOM 667 C ARG A 42 10.895 13.443 2.829 1.00 0.00 C ATOM 668 O ARG A 42 11.726 13.003 2.033 1.00 0.00 O ATOM 669 CB ARG A 42 8.692 12.648 3.713 1.00 0.00 C ATOM 670 CG ARG A 42 7.171 12.746 3.668 1.00 0.00 C ATOM 671 CD ARG A 42 6.521 11.875 4.735 1.00 0.00 C ATOM 672 NE ARG A 42 7.256 11.910 5.999 1.00 0.00 N ATOM 673 CZ ARG A 42 7.099 12.853 6.926 1.00 0.00 C ATOM 674 NH1 ARG A 42 6.237 13.845 6.736 1.00 0.00 N ATOM 675 NH2 ARG A 42 7.806 12.805 8.046 1.00 0.00 N ATOM 0 H ARG A 42 9.164 11.593 1.391 1.00 0.00 H new ATOM 0 HA ARG A 42 8.995 14.341 2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.977 11.596 3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.046 13.088 4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.868 13.783 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.815 12.442 2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.498 12.211 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.465 10.847 4.378 1.00 0.00 H new ATOM 0 HE ARG A 42 7.930 11.167 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.690 13.888 5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.122 14.564 7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.470 12.046 8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.686 13.527 8.756 1.00 0.00 H new ATOM 689 N LYS A 43 11.230 14.032 3.974 1.00 0.00 N ATOM 690 CA LYS A 43 12.623 14.199 4.372 1.00 0.00 C ATOM 691 C LYS A 43 13.354 12.859 4.388 1.00 0.00 C ATOM 692 O LYS A 43 14.467 12.743 3.874 1.00 0.00 O ATOM 693 CB LYS A 43 12.705 14.853 5.754 1.00 0.00 C ATOM 694 CG LYS A 43 11.933 14.106 6.829 1.00 0.00 C ATOM 695 CD LYS A 43 11.961 14.851 8.154 1.00 0.00 C ATOM 696 CE LYS A 43 10.978 16.012 8.161 1.00 0.00 C ATOM 697 NZ LYS A 43 10.379 16.224 9.508 1.00 0.00 N ATOM 0 H LYS A 43 10.554 14.402 4.643 1.00 0.00 H new ATOM 0 HA LYS A 43 13.107 14.846 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.751 14.922 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.324 15.872 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.900 13.970 6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.360 13.112 6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.719 14.163 8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.968 15.224 8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.488 16.921 7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.186 15.821 7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.715 17.024 9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.871 15.365 9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.132 16.431 10.194 1.00 0.00 H new ATOM 711 N ASN A 44 12.723 11.850 4.980 1.00 0.00 N ATOM 712 CA ASN A 44 13.314 10.519 5.061 1.00 0.00 C ATOM 713 C ASN A 44 12.290 9.493 5.552 1.00 0.00 C ATOM 714 O ASN A 44 12.348 9.065 6.704 1.00 0.00 O ATOM 715 CB ASN A 44 14.522 10.530 5.999 1.00 0.00 C ATOM 716 CG ASN A 44 15.822 10.806 5.268 1.00 0.00 C ATOM 717 OD1 ASN A 44 15.885 10.732 4.041 1.00 0.00 O ATOM 718 ND2 ASN A 44 16.869 11.121 6.022 1.00 0.00 N ATOM 0 H ASN A 44 11.802 11.929 5.411 1.00 0.00 H new ATOM 0 HA ASN A 44 13.638 10.235 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.374 11.288 6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.592 9.568 6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.771 11.313 5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.771 11.171 7.036 1.00 0.00 H new ATOM 725 N PHE A 45 11.357 9.106 4.669 1.00 0.00 N ATOM 726 CA PHE A 45 10.307 8.127 4.985 1.00 0.00 C ATOM 727 C PHE A 45 10.674 7.229 6.167 1.00 0.00 C ATOM 728 O PHE A 45 11.215 6.141 5.989 1.00 0.00 O ATOM 729 CB PHE A 45 10.001 7.262 3.749 1.00 0.00 C ATOM 730 CG PHE A 45 11.158 6.409 3.275 1.00 0.00 C ATOM 731 CD1 PHE A 45 12.454 6.624 3.728 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.939 5.384 2.366 1.00 0.00 C ATOM 733 CE1 PHE A 45 13.501 5.839 3.285 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.984 4.597 1.919 1.00 0.00 C ATOM 735 CZ PHE A 45 13.266 4.824 2.379 1.00 0.00 C ATOM 0 H PHE A 45 11.310 9.464 3.715 1.00 0.00 H new ATOM 0 HA PHE A 45 9.421 8.694 5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.157 6.612 3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.690 7.914 2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.646 7.416 4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.939 5.198 2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 45 14.502 6.019 3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.798 3.804 1.210 1.00 0.00 H new ATOM 0 HZ PHE A 45 14.083 4.209 2.031 1.00 0.00 H new ATOM 745 N LYS A 46 10.370 7.700 7.371 1.00 0.00 N ATOM 746 CA LYS A 46 10.661 6.950 8.595 1.00 0.00 C ATOM 747 C LYS A 46 9.606 5.861 8.819 1.00 0.00 C ATOM 748 O LYS A 46 8.469 6.157 9.184 1.00 0.00 O ATOM 749 CB LYS A 46 10.704 7.908 9.797 1.00 0.00 C ATOM 750 CG LYS A 46 11.581 7.448 10.961 1.00 0.00 C ATOM 751 CD LYS A 46 11.515 8.433 12.120 1.00 0.00 C ATOM 752 CE LYS A 46 12.589 9.508 12.014 1.00 0.00 C ATOM 753 NZ LYS A 46 12.740 10.017 10.622 1.00 0.00 N ATOM 0 H LYS A 46 9.920 8.602 7.530 1.00 0.00 H new ATOM 0 HA LYS A 46 11.634 6.469 8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.061 8.879 9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.688 8.053 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.257 6.463 11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.613 7.346 10.625 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.532 8.903 12.141 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.632 7.895 13.061 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.338 10.336 12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.541 9.103 12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.407 10.815 10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.103 9.257 10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.816 10.335 10.266 1.00 0.00 H new ATOM 767 N PRO A 47 9.962 4.583 8.573 1.00 0.00 N ATOM 768 CA PRO A 47 9.039 3.438 8.712 1.00 0.00 C ATOM 769 C PRO A 47 8.510 3.206 10.128 1.00 0.00 C ATOM 770 O PRO A 47 7.735 2.278 10.359 1.00 0.00 O ATOM 771 CB PRO A 47 9.902 2.252 8.282 1.00 0.00 C ATOM 772 CG PRO A 47 10.874 2.872 7.373 1.00 0.00 C ATOM 773 CD PRO A 47 11.274 4.127 8.094 1.00 0.00 C ATOM 0 HA PRO A 47 8.136 3.601 8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.390 1.777 9.133 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.313 1.483 7.782 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.730 2.221 7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.432 3.091 6.401 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.970 3.934 8.910 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.750 4.852 7.434 1.00 0.00 H new ATOM 781 N THR A 48 8.938 4.031 11.072 1.00 0.00 N ATOM 782 CA THR A 48 8.510 3.889 12.461 1.00 0.00 C ATOM 783 C THR A 48 6.993 4.009 12.584 1.00 0.00 C ATOM 784 O THR A 48 6.331 3.118 13.116 1.00 0.00 O ATOM 785 CB THR A 48 9.189 4.955 13.327 1.00 0.00 C ATOM 786 OG1 THR A 48 8.698 4.913 14.655 1.00 0.00 O ATOM 787 CG2 THR A 48 8.980 6.357 12.803 1.00 0.00 C ATOM 0 H THR A 48 9.580 4.805 10.905 1.00 0.00 H new ATOM 0 HA THR A 48 8.803 2.898 12.808 1.00 0.00 H new ATOM 0 HB THR A 48 10.254 4.723 13.298 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.146 5.600 15.191 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.484 7.069 13.457 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.392 6.435 11.797 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.913 6.580 12.777 1.00 0.00 H new ATOM 795 N LYS A 49 6.451 5.113 12.087 1.00 0.00 N ATOM 796 CA LYS A 49 5.015 5.354 12.136 1.00 0.00 C ATOM 797 C LYS A 49 4.480 5.683 10.746 1.00 0.00 C ATOM 798 O LYS A 49 3.301 5.479 10.460 1.00 0.00 O ATOM 799 CB LYS A 49 4.697 6.499 13.102 1.00 0.00 C ATOM 800 CG LYS A 49 5.532 6.478 14.374 1.00 0.00 C ATOM 801 CD LYS A 49 4.778 7.079 15.550 1.00 0.00 C ATOM 802 CE LYS A 49 5.313 8.457 15.912 1.00 0.00 C ATOM 803 NZ LYS A 49 6.797 8.461 16.047 1.00 0.00 N ATOM 0 H LYS A 49 6.987 5.859 11.643 1.00 0.00 H new ATOM 0 HA LYS A 49 4.529 4.446 12.493 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.855 7.448 12.590 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.642 6.453 13.370 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.813 5.451 14.608 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.456 7.033 14.212 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.718 7.152 15.305 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.861 6.418 16.412 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.017 9.174 15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.863 8.786 16.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.078 9.158 16.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.122 7.516 16.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.228 8.712 15.134 1.00 0.00 H new ATOM 817 N TYR A 50 5.355 6.203 9.885 1.00 0.00 N ATOM 818 CA TYR A 50 4.969 6.569 8.532 1.00 0.00 C ATOM 819 C TYR A 50 4.897 5.352 7.612 1.00 0.00 C ATOM 820 O TYR A 50 4.249 5.412 6.573 1.00 0.00 O ATOM 821 CB TYR A 50 5.941 7.600 7.960 1.00 0.00 C ATOM 822 CG TYR A 50 5.892 8.934 8.673 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.692 9.617 8.824 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.045 9.510 9.191 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.642 10.836 9.472 1.00 0.00 C ATOM 826 CE2 TYR A 50 7.002 10.729 9.842 1.00 0.00 C ATOM 827 CZ TYR A 50 5.799 11.388 9.979 1.00 0.00 C ATOM 828 OH TYR A 50 5.753 12.601 10.626 1.00 0.00 O ATOM 0 H TYR A 50 6.335 6.378 10.105 1.00 0.00 H new ATOM 0 HA TYR A 50 3.972 7.005 8.586 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.955 7.203 8.017 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.717 7.752 6.904 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.783 9.188 8.428 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.990 8.998 9.084 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.701 11.354 9.581 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.907 11.163 10.241 1.00 0.00 H new ATOM 0 HH TYR A 50 6.654 12.848 10.923 1.00 0.00 H new ATOM 838 N SER A 51 5.570 4.257 7.991 1.00 0.00 N ATOM 839 CA SER A 51 5.578 3.027 7.180 1.00 0.00 C ATOM 840 C SER A 51 4.173 2.641 6.695 1.00 0.00 C ATOM 841 O SER A 51 3.628 1.617 7.107 1.00 0.00 O ATOM 842 CB SER A 51 6.165 1.863 7.988 1.00 0.00 C ATOM 843 OG SER A 51 5.563 1.777 9.268 1.00 0.00 O ATOM 0 H SER A 51 6.115 4.196 8.851 1.00 0.00 H new ATOM 0 HA SER A 51 6.196 3.229 6.305 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.014 0.928 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.241 1.998 8.097 1.00 0.00 H new ATOM 0 HG SER A 51 6.259 1.687 9.952 1.00 0.00 H new ATOM 849 N SER A 52 3.594 3.455 5.816 1.00 0.00 N ATOM 850 CA SER A 52 2.264 3.184 5.279 1.00 0.00 C ATOM 851 C SER A 52 1.882 4.210 4.225 1.00 0.00 C ATOM 852 O SER A 52 2.391 5.328 4.215 1.00 0.00 O ATOM 853 CB SER A 52 1.220 3.175 6.397 1.00 0.00 C ATOM 854 OG SER A 52 1.273 4.373 7.152 1.00 0.00 O ATOM 0 H SER A 52 4.026 4.308 5.461 1.00 0.00 H new ATOM 0 HA SER A 52 2.290 2.199 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.225 3.055 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.391 2.321 7.052 1.00 0.00 H new ATOM 0 HG SER A 52 0.595 4.344 7.859 1.00 0.00 H new ATOM 860 N ILE A 53 0.989 3.815 3.334 1.00 0.00 N ATOM 861 CA ILE A 53 0.539 4.680 2.265 1.00 0.00 C ATOM 862 C ILE A 53 -0.983 4.602 2.166 1.00 0.00 C ATOM 863 O ILE A 53 -1.577 3.609 2.589 1.00 0.00 O ATOM 864 CB ILE A 53 1.168 4.215 0.936 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.681 3.949 1.101 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.898 5.192 -0.212 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.561 5.180 1.148 1.00 0.00 C ATOM 0 H ILE A 53 0.559 2.890 3.333 1.00 0.00 H new ATOM 0 HA ILE A 53 0.839 5.708 2.468 1.00 0.00 H new ATOM 0 HB ILE A 53 0.684 3.276 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.834 3.380 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.013 3.319 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.362 4.818 -1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.177 5.286 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.317 6.168 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.602 4.879 1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.449 5.743 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.267 5.806 1.991 1.00 0.00 H new ATOM 879 N CYS A 54 -1.622 5.635 1.626 1.00 0.00 N ATOM 880 CA CYS A 54 -3.071 5.628 1.513 1.00 0.00 C ATOM 881 C CYS A 54 -3.499 5.471 0.045 1.00 0.00 C ATOM 882 O CYS A 54 -2.691 5.652 -0.866 1.00 0.00 O ATOM 883 CB CYS A 54 -3.645 6.884 2.174 1.00 0.00 C ATOM 884 SG CYS A 54 -3.855 8.302 1.086 1.00 0.00 S ATOM 0 H CYS A 54 -1.166 6.473 1.266 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.480 4.768 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.613 6.635 2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.991 7.172 2.997 1.00 0.00 H new ATOM 889 N SER A 55 -4.755 5.079 -0.173 1.00 0.00 N ATOM 890 CA SER A 55 -5.274 4.834 -1.522 1.00 0.00 C ATOM 891 C SER A 55 -5.128 6.034 -2.467 1.00 0.00 C ATOM 892 O SER A 55 -4.842 5.863 -3.649 1.00 0.00 O ATOM 893 CB SER A 55 -6.746 4.434 -1.444 1.00 0.00 C ATOM 894 OG SER A 55 -7.040 3.803 -0.211 1.00 0.00 O ATOM 0 H SER A 55 -5.436 4.923 0.570 1.00 0.00 H new ATOM 0 HA SER A 55 -4.670 4.028 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.373 5.318 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.987 3.761 -2.267 1.00 0.00 H new ATOM 0 HG SER A 55 -6.215 3.444 0.178 1.00 0.00 H new ATOM 900 N GLU A 56 -5.371 7.234 -1.954 1.00 0.00 N ATOM 901 CA GLU A 56 -5.316 8.451 -2.734 1.00 0.00 C ATOM 902 C GLU A 56 -4.159 8.506 -3.742 1.00 0.00 C ATOM 903 O GLU A 56 -4.248 9.218 -4.744 1.00 0.00 O ATOM 904 CB GLU A 56 -5.236 9.627 -1.775 1.00 0.00 C ATOM 905 CG GLU A 56 -6.397 9.680 -0.806 1.00 0.00 C ATOM 906 CD GLU A 56 -6.727 11.093 -0.367 1.00 0.00 C ATOM 907 OE1 GLU A 56 -5.824 11.954 -0.406 1.00 0.00 O ATOM 908 OE2 GLU A 56 -7.891 11.337 0.016 1.00 0.00 O ATOM 0 H GLU A 56 -5.614 7.384 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.221 8.488 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.304 9.568 -1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.205 10.554 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.275 9.234 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.161 9.077 0.071 1.00 0.00 H new ATOM 915 N HIS A 57 -3.068 7.795 -3.473 1.00 0.00 N ATOM 916 CA HIS A 57 -1.904 7.825 -4.367 1.00 0.00 C ATOM 917 C HIS A 57 -1.777 6.556 -5.203 1.00 0.00 C ATOM 918 O HIS A 57 -0.912 6.468 -6.074 1.00 0.00 O ATOM 919 CB HIS A 57 -0.628 8.037 -3.540 1.00 0.00 C ATOM 920 CG HIS A 57 -0.850 8.950 -2.390 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.358 10.224 -2.518 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.701 8.728 -1.076 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.518 10.744 -1.309 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.128 9.850 -0.411 1.00 0.00 N ATOM 0 H HIS A 57 -2.961 7.196 -2.654 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.045 8.653 -5.062 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.270 7.075 -3.174 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.154 8.445 -4.180 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.575 10.691 -3.399 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.314 7.827 -0.622 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.902 11.730 -1.092 1.00 0.00 H new ATOM 932 N PHE A 58 -2.631 5.577 -4.944 1.00 0.00 N ATOM 933 CA PHE A 58 -2.587 4.326 -5.688 1.00 0.00 C ATOM 934 C PHE A 58 -3.634 4.317 -6.801 1.00 0.00 C ATOM 935 O PHE A 58 -4.648 5.009 -6.714 1.00 0.00 O ATOM 936 CB PHE A 58 -2.818 3.149 -4.746 1.00 0.00 C ATOM 937 CG PHE A 58 -1.571 2.731 -4.032 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.585 2.027 -4.700 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.378 3.054 -2.700 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.573 1.651 -4.051 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.224 2.679 -2.046 1.00 0.00 C ATOM 942 CZ PHE A 58 0.753 1.978 -2.723 1.00 0.00 C ATOM 0 H PHE A 58 -3.358 5.623 -4.230 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.601 4.233 -6.143 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.579 3.418 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.208 2.304 -5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.723 1.769 -5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.139 3.605 -2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.337 1.102 -4.581 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.085 2.933 -1.006 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.659 1.685 -2.213 1.00 0.00 H new ATOM 952 N THR A 59 -3.389 3.522 -7.840 1.00 0.00 N ATOM 953 CA THR A 59 -4.325 3.422 -8.957 1.00 0.00 C ATOM 954 C THR A 59 -5.431 2.419 -8.647 1.00 0.00 C ATOM 955 O THR A 59 -5.193 1.387 -8.020 1.00 0.00 O ATOM 956 CB THR A 59 -3.608 3.000 -10.246 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.716 1.929 -9.993 1.00 0.00 O ATOM 958 CG2 THR A 59 -2.809 4.106 -10.916 1.00 0.00 C ATOM 0 H THR A 59 -2.556 2.941 -7.932 1.00 0.00 H new ATOM 0 HA THR A 59 -4.762 4.410 -9.103 1.00 0.00 H new ATOM 0 HB THR A 59 -4.413 2.711 -10.922 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.269 1.672 -10.826 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.337 3.718 -11.819 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.475 4.928 -11.179 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.041 4.466 -10.231 1.00 0.00 H new ATOM 966 N PRO A 60 -6.657 2.713 -9.099 1.00 0.00 N ATOM 967 CA PRO A 60 -7.820 1.841 -8.893 1.00 0.00 C ATOM 968 C PRO A 60 -7.540 0.408 -9.322 1.00 0.00 C ATOM 969 O PRO A 60 -7.981 -0.545 -8.678 1.00 0.00 O ATOM 970 CB PRO A 60 -8.881 2.464 -9.803 1.00 0.00 C ATOM 971 CG PRO A 60 -8.501 3.887 -9.887 1.00 0.00 C ATOM 972 CD PRO A 60 -7.005 3.920 -9.864 1.00 0.00 C ATOM 0 HA PRO A 60 -8.112 1.780 -7.845 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.886 1.995 -10.787 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.881 2.344 -9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.887 4.340 -10.800 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.916 4.451 -9.052 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.586 3.895 -10.870 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.629 4.824 -9.384 1.00 0.00 H new ATOM 980 N ASP A 61 -6.807 0.266 -10.420 1.00 0.00 N ATOM 981 CA ASP A 61 -6.467 -1.048 -10.950 1.00 0.00 C ATOM 982 C ASP A 61 -5.579 -1.820 -9.981 1.00 0.00 C ATOM 983 O ASP A 61 -5.610 -3.049 -9.938 1.00 0.00 O ATOM 984 CB ASP A 61 -5.766 -0.912 -12.303 1.00 0.00 C ATOM 985 CG ASP A 61 -5.508 -2.254 -12.958 1.00 0.00 C ATOM 986 OD1 ASP A 61 -6.180 -3.238 -12.581 1.00 0.00 O ATOM 987 OD2 ASP A 61 -4.635 -2.322 -13.848 1.00 0.00 O ATOM 0 H ASP A 61 -6.436 1.047 -10.961 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.395 -1.604 -11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.377 -0.299 -12.966 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.819 -0.389 -12.168 1.00 0.00 H new ATOM 992 N CYS A 62 -4.790 -1.088 -9.209 1.00 0.00 N ATOM 993 CA CYS A 62 -3.888 -1.696 -8.241 1.00 0.00 C ATOM 994 C CYS A 62 -4.632 -2.085 -6.957 1.00 0.00 C ATOM 995 O CYS A 62 -4.038 -2.647 -6.037 1.00 0.00 O ATOM 996 CB CYS A 62 -2.719 -0.737 -7.948 1.00 0.00 C ATOM 997 SG CYS A 62 -2.624 -0.125 -6.244 1.00 0.00 S ATOM 0 H CYS A 62 -4.756 -0.069 -9.234 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.484 -2.616 -8.665 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.785 -1.246 -8.186 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.796 0.118 -8.620 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.089 -1.028 -5.432 1.00 0.00 H new ATOM 1003 N PHE A 63 -5.931 -1.791 -6.902 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.735 -2.120 -5.732 1.00 0.00 C ATOM 1005 C PHE A 63 -7.584 -3.358 -5.997 1.00 0.00 C ATOM 1006 O PHE A 63 -8.781 -3.378 -5.707 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.622 -0.935 -5.347 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.021 -0.065 -4.280 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -5.683 0.290 -4.331 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -7.793 0.395 -3.224 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -5.125 1.087 -3.350 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -7.240 1.192 -2.240 1.00 0.00 C ATOM 1013 CZ PHE A 63 -5.904 1.538 -2.304 1.00 0.00 C ATOM 0 H PHE A 63 -6.444 -1.328 -7.652 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.064 -2.336 -4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.814 -0.331 -6.234 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.586 -1.309 -5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.069 -0.060 -5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.838 0.127 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.080 1.357 -3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.851 1.544 -1.422 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.470 2.161 -1.536 1.00 0.00 H new ATOM 1023 N LYS A 64 -6.945 -4.385 -6.559 1.00 0.00 N ATOM 1024 CA LYS A 64 -7.605 -5.653 -6.889 1.00 0.00 C ATOM 1025 C LYS A 64 -8.811 -5.935 -5.992 1.00 0.00 C ATOM 1026 O LYS A 64 -9.890 -6.266 -6.482 1.00 0.00 O ATOM 1027 CB LYS A 64 -6.609 -6.817 -6.794 1.00 0.00 C ATOM 1028 CG LYS A 64 -5.534 -6.643 -5.725 1.00 0.00 C ATOM 1029 CD LYS A 64 -5.879 -7.393 -4.446 1.00 0.00 C ATOM 1030 CE LYS A 64 -5.163 -6.805 -3.238 1.00 0.00 C ATOM 1031 NZ LYS A 64 -5.198 -5.315 -3.232 1.00 0.00 N ATOM 0 H LYS A 64 -5.954 -4.363 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.968 -5.561 -7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.160 -7.735 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.124 -6.944 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.579 -7.001 -6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.411 -5.583 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.956 -7.358 -4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.607 -8.443 -4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.625 -7.181 -2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.127 -7.142 -3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.288 -4.974 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.319 -4.945 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.011 -4.985 -3.790 1.00 0.00 H new ATOM 1045 N ARG A 65 -8.627 -5.807 -4.679 1.00 0.00 N ATOM 1046 CA ARG A 65 -9.713 -6.057 -3.736 1.00 0.00 C ATOM 1047 C ARG A 65 -9.398 -5.480 -2.361 1.00 0.00 C ATOM 1048 O ARG A 65 -8.235 -5.260 -2.018 1.00 0.00 O ATOM 1049 CB ARG A 65 -9.980 -7.559 -3.621 1.00 0.00 C ATOM 1050 CG ARG A 65 -11.449 -7.897 -3.425 1.00 0.00 C ATOM 1051 CD ARG A 65 -12.267 -7.554 -4.658 1.00 0.00 C ATOM 1052 NE ARG A 65 -12.731 -8.749 -5.359 1.00 0.00 N ATOM 1053 CZ ARG A 65 -13.606 -9.615 -4.852 1.00 0.00 C ATOM 1054 NH1 ARG A 65 -14.108 -9.428 -3.638 1.00 0.00 N ATOM 1055 NH2 ARG A 65 -13.979 -10.672 -5.561 1.00 0.00 N ATOM 0 H ARG A 65 -7.744 -5.534 -4.248 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.605 -5.560 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.618 -8.055 -4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.408 -7.959 -2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.553 -8.959 -3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.838 -7.351 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.125 -6.949 -4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.665 -6.948 -5.335 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.363 -8.931 -6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.824 -8.617 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.778 -10.095 -3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.596 -10.821 -6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.649 -11.336 -5.173 1.00 0.00 H new ATOM 1069 N GLU A 66 -10.443 -5.242 -1.574 1.00 0.00 N ATOM 1070 CA GLU A 66 -10.283 -4.696 -0.231 1.00 0.00 C ATOM 1071 C GLU A 66 -9.423 -5.620 0.625 1.00 0.00 C ATOM 1072 O GLU A 66 -8.918 -6.633 0.141 1.00 0.00 O ATOM 1073 CB GLU A 66 -11.649 -4.495 0.428 1.00 0.00 C ATOM 1074 CG GLU A 66 -12.585 -5.681 0.262 1.00 0.00 C ATOM 1075 CD GLU A 66 -13.622 -5.459 -0.822 1.00 0.00 C ATOM 1076 OE1 GLU A 66 -13.991 -4.290 -1.061 1.00 0.00 O ATOM 1077 OE2 GLU A 66 -14.063 -6.454 -1.433 1.00 0.00 O ATOM 0 H GLU A 66 -11.411 -5.419 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.784 -3.730 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.505 -4.302 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.121 -3.608 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.001 -6.570 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.090 -5.876 1.208 1.00 0.00 H new ATOM 1084 N CYS A 67 -9.253 -5.264 1.894 1.00 0.00 N ATOM 1085 CA CYS A 67 -8.443 -6.070 2.807 1.00 0.00 C ATOM 1086 C CYS A 67 -9.076 -7.445 3.066 1.00 0.00 C ATOM 1087 O CYS A 67 -9.581 -7.700 4.159 1.00 0.00 O ATOM 1088 CB CYS A 67 -8.263 -5.328 4.134 1.00 0.00 C ATOM 1089 SG CYS A 67 -7.195 -6.184 5.316 1.00 0.00 S ATOM 0 H CYS A 67 -9.661 -4.429 2.314 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.473 -6.231 2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.847 -4.341 3.933 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.242 -5.175 4.589 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.613 -7.405 5.473 1.00 0.00 H new ATOM 1095 N ASN A 68 -9.048 -8.337 2.066 1.00 0.00 N ATOM 1096 CA ASN A 68 -9.616 -9.663 2.214 1.00 0.00 C ATOM 1097 C ASN A 68 -8.536 -10.667 2.606 1.00 0.00 C ATOM 1098 O ASN A 68 -8.542 -11.203 3.714 1.00 0.00 O ATOM 1099 CB ASN A 68 -10.262 -10.073 0.898 1.00 0.00 C ATOM 1100 CG ASN A 68 -11.173 -11.277 1.042 1.00 0.00 C ATOM 1101 OD1 ASN A 68 -11.024 -12.271 0.333 1.00 0.00 O ATOM 1102 ND2 ASN A 68 -12.125 -11.190 1.964 1.00 0.00 N ATOM 0 H ASN A 68 -8.636 -8.154 1.151 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.367 -9.649 3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.835 -9.234 0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.482 -10.298 0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.770 -11.968 2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.212 -10.346 2.530 1.00 0.00 H new ATOM 1109 N ASN A 69 -7.606 -10.903 1.688 1.00 0.00 N ATOM 1110 CA ASN A 69 -6.506 -11.831 1.925 1.00 0.00 C ATOM 1111 C ASN A 69 -5.282 -11.437 1.100 1.00 0.00 C ATOM 1112 O ASN A 69 -4.420 -12.268 0.814 1.00 0.00 O ATOM 1113 CB ASN A 69 -6.929 -13.262 1.585 1.00 0.00 C ATOM 1114 CG ASN A 69 -7.675 -13.351 0.269 1.00 0.00 C ATOM 1115 OD1 ASN A 69 -8.889 -13.552 0.242 1.00 0.00 O ATOM 1116 ND2 ASN A 69 -6.949 -13.202 -0.833 1.00 0.00 N ATOM 0 H ASN A 69 -7.592 -10.462 0.768 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.244 -11.784 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.045 -13.898 1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.561 -13.650 2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.396 -13.253 -1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.945 -13.037 -0.764 1.00 0.00 H new ATOM 1123 N LYS A 70 -5.215 -10.163 0.724 1.00 0.00 N ATOM 1124 CA LYS A 70 -4.105 -9.647 -0.064 1.00 0.00 C ATOM 1125 C LYS A 70 -4.228 -8.134 -0.230 1.00 0.00 C ATOM 1126 O LYS A 70 -5.327 -7.584 -0.186 1.00 0.00 O ATOM 1127 CB LYS A 70 -4.064 -10.329 -1.438 1.00 0.00 C ATOM 1128 CG LYS A 70 -5.353 -10.185 -2.230 1.00 0.00 C ATOM 1129 CD LYS A 70 -5.276 -10.923 -3.557 1.00 0.00 C ATOM 1130 CE LYS A 70 -5.938 -12.289 -3.475 1.00 0.00 C ATOM 1131 NZ LYS A 70 -5.760 -13.068 -4.732 1.00 0.00 N ATOM 0 H LYS A 70 -5.923 -9.466 0.956 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.176 -9.865 0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.243 -9.909 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.848 -11.389 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.187 -10.573 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.554 -9.129 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.759 -10.329 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.232 -11.040 -3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.517 -12.847 -2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.002 -12.165 -3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.226 -13.993 -4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.184 -12.547 -5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.745 -13.208 -4.913 1.00 0.00 H new ATOM 1145 N LEU A 71 -3.092 -7.468 -0.412 1.00 0.00 N ATOM 1146 CA LEU A 71 -3.070 -6.016 -0.572 1.00 0.00 C ATOM 1147 C LEU A 71 -2.023 -5.611 -1.616 1.00 0.00 C ATOM 1148 O LEU A 71 -1.391 -6.479 -2.217 1.00 0.00 O ATOM 1149 CB LEU A 71 -2.772 -5.349 0.781 1.00 0.00 C ATOM 1150 CG LEU A 71 -3.198 -6.158 2.010 1.00 0.00 C ATOM 1151 CD1 LEU A 71 -2.594 -5.565 3.274 1.00 0.00 C ATOM 1152 CD2 LEU A 71 -4.716 -6.212 2.113 1.00 0.00 C ATOM 0 H LEU A 71 -2.174 -7.910 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.046 -5.681 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.701 -5.155 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.273 -4.381 0.810 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.826 -7.177 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.907 -6.152 4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.507 -5.581 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.935 -4.536 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.001 -6.791 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.111 -5.200 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.125 -6.684 1.220 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.854 -4.294 -1.826 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.893 -3.743 -2.801 1.00 0.00 C ATOM 1166 C LEU A 72 0.049 -4.809 -3.367 1.00 0.00 C ATOM 1167 O LEU A 72 1.205 -4.920 -2.961 1.00 0.00 O ATOM 1168 CB LEU A 72 -0.077 -2.635 -2.132 1.00 0.00 C ATOM 1169 CG LEU A 72 0.785 -3.104 -0.958 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.201 -2.561 -1.074 1.00 0.00 C ATOM 1171 CD2 LEU A 72 0.149 -2.687 0.356 1.00 0.00 C ATOM 0 H LEU A 72 -2.380 -3.579 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.465 -3.345 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.569 -2.175 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.759 -1.861 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 72 0.844 -4.192 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.794 -2.908 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.651 -2.914 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.174 -1.471 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.771 -3.026 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.061 -1.601 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.842 -3.134 0.439 1.00 0.00 H new ATOM 1183 N LYS A 73 -0.471 -5.588 -4.306 1.00 0.00 N ATOM 1184 CA LYS A 73 0.292 -6.657 -4.943 1.00 0.00 C ATOM 1185 C LYS A 73 1.487 -6.109 -5.713 1.00 0.00 C ATOM 1186 O LYS A 73 1.720 -4.901 -5.750 1.00 0.00 O ATOM 1187 CB LYS A 73 -0.610 -7.458 -5.885 1.00 0.00 C ATOM 1188 CG LYS A 73 -0.569 -8.957 -5.636 1.00 0.00 C ATOM 1189 CD LYS A 73 -1.535 -9.698 -6.543 1.00 0.00 C ATOM 1190 CE LYS A 73 -0.854 -10.167 -7.819 1.00 0.00 C ATOM 1191 NZ LYS A 73 -1.805 -10.243 -8.962 1.00 0.00 N ATOM 0 H LYS A 73 -1.428 -5.499 -4.647 1.00 0.00 H new ATOM 0 HA LYS A 73 0.669 -7.311 -4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.637 -7.108 -5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.313 -7.261 -6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.443 -9.327 -5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.817 -9.161 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.947 -10.557 -6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.372 -9.047 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.041 -9.485 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.408 -11.147 -7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.301 -10.567 -9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.567 -10.913 -8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.212 -9.302 -9.138 1.00 0.00 H new ATOM 1205 N GLU A 74 2.238 -7.017 -6.326 1.00 0.00 N ATOM 1206 CA GLU A 74 3.418 -6.650 -7.105 1.00 0.00 C ATOM 1207 C GLU A 74 3.104 -5.531 -8.095 1.00 0.00 C ATOM 1208 O GLU A 74 3.985 -4.770 -8.485 1.00 0.00 O ATOM 1209 CB GLU A 74 3.961 -7.871 -7.851 1.00 0.00 C ATOM 1210 CG GLU A 74 5.458 -8.075 -7.681 1.00 0.00 C ATOM 1211 CD GLU A 74 6.257 -6.828 -8.008 1.00 0.00 C ATOM 1212 OE1 GLU A 74 6.588 -6.629 -9.196 1.00 0.00 O ATOM 1213 OE2 GLU A 74 6.552 -6.052 -7.075 1.00 0.00 O ATOM 0 H GLU A 74 2.050 -8.019 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 74 4.176 -6.286 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.440 -8.762 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.736 -7.767 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.666 -8.376 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.785 -8.891 -8.325 1.00 0.00 H new ATOM 1220 N ASN A 75 1.845 -5.439 -8.492 1.00 0.00 N ATOM 1221 CA ASN A 75 1.411 -4.411 -9.432 1.00 0.00 C ATOM 1222 C ASN A 75 1.406 -3.044 -8.766 1.00 0.00 C ATOM 1223 O ASN A 75 1.816 -2.044 -9.356 1.00 0.00 O ATOM 1224 CB ASN A 75 0.012 -4.733 -9.952 1.00 0.00 C ATOM 1225 CG ASN A 75 -0.010 -5.971 -10.827 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.642 -6.020 -11.870 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -0.764 -6.980 -10.405 1.00 0.00 N ATOM 0 H ASN A 75 1.102 -6.064 -8.179 1.00 0.00 H new ATOM 0 HA ASN A 75 2.111 -4.392 -10.267 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.662 -4.877 -9.108 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.366 -3.883 -10.521 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.819 -7.839 -10.952 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.288 -6.896 -9.534 1.00 0.00 H new ATOM 1234 N ALA A 76 0.916 -3.025 -7.535 1.00 0.00 N ATOM 1235 CA ALA A 76 0.808 -1.811 -6.732 1.00 0.00 C ATOM 1236 C ALA A 76 1.879 -0.782 -7.059 1.00 0.00 C ATOM 1237 O ALA A 76 3.020 -1.125 -7.362 1.00 0.00 O ATOM 1238 CB ALA A 76 0.845 -2.158 -5.254 1.00 0.00 C ATOM 0 H ALA A 76 0.578 -3.861 -7.058 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.150 -1.353 -6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.764 -1.245 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.013 -2.820 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.785 -2.658 -5.021 1.00 0.00 H new ATOM 1244 N VAL A 77 1.478 0.486 -7.000 1.00 0.00 N ATOM 1245 CA VAL A 77 2.365 1.600 -7.293 1.00 0.00 C ATOM 1246 C VAL A 77 1.664 2.929 -6.958 1.00 0.00 C ATOM 1247 O VAL A 77 0.481 3.099 -7.251 1.00 0.00 O ATOM 1248 CB VAL A 77 2.771 1.576 -8.787 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.087 2.970 -9.314 1.00 0.00 C ATOM 1250 CG2 VAL A 77 3.952 0.645 -9.008 1.00 0.00 C ATOM 0 H VAL A 77 0.530 0.766 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 77 3.263 1.509 -6.683 1.00 0.00 H new ATOM 0 HB VAL A 77 1.916 1.199 -9.348 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.367 2.907 -10.366 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.208 3.606 -9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.912 3.396 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.221 0.643 -10.064 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.802 0.989 -8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.681 -0.365 -8.701 1.00 0.00 H new ATOM 1260 N PRO A 78 2.380 3.887 -6.340 1.00 0.00 N ATOM 1261 CA PRO A 78 1.829 5.188 -5.968 1.00 0.00 C ATOM 1262 C PRO A 78 2.018 6.246 -7.055 1.00 0.00 C ATOM 1263 O PRO A 78 2.235 7.419 -6.751 1.00 0.00 O ATOM 1264 CB PRO A 78 2.649 5.542 -4.746 1.00 0.00 C ATOM 1265 CG PRO A 78 3.999 4.967 -5.023 1.00 0.00 C ATOM 1266 CD PRO A 78 3.793 3.783 -5.941 1.00 0.00 C ATOM 0 HA PRO A 78 0.752 5.151 -5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.699 6.621 -4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.215 5.118 -3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.646 5.709 -5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.484 4.658 -4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.456 3.827 -6.805 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.996 2.841 -5.431 1.00 0.00 H new ATOM 1274 N THR A 79 1.957 5.804 -8.312 1.00 0.00 N ATOM 1275 CA THR A 79 2.130 6.659 -9.498 1.00 0.00 C ATOM 1276 C THR A 79 2.136 8.164 -9.198 1.00 0.00 C ATOM 1277 O THR A 79 3.031 8.880 -9.647 1.00 0.00 O ATOM 1278 CB THR A 79 1.037 6.352 -10.523 1.00 0.00 C ATOM 1279 OG1 THR A 79 1.190 7.160 -11.676 1.00 0.00 O ATOM 1280 CG2 THR A 79 -0.363 6.571 -9.992 1.00 0.00 C ATOM 0 H THR A 79 1.783 4.826 -8.544 1.00 0.00 H new ATOM 0 HA THR A 79 3.118 6.421 -9.893 1.00 0.00 H new ATOM 0 HB THR A 79 1.155 5.295 -10.762 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.483 6.948 -12.320 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.088 6.335 -10.770 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.531 5.924 -9.131 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.479 7.612 -9.692 1.00 0.00 H new ATOM 1288 N ILE A 80 1.127 8.647 -8.473 1.00 0.00 N ATOM 1289 CA ILE A 80 1.015 10.064 -8.160 1.00 0.00 C ATOM 1290 C ILE A 80 2.364 10.704 -7.812 1.00 0.00 C ATOM 1291 O ILE A 80 2.589 11.880 -8.097 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.003 10.310 -7.040 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.385 10.286 -7.666 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.236 11.646 -6.338 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.494 10.457 -6.675 1.00 0.00 C ATOM 0 H ILE A 80 0.375 8.072 -8.092 1.00 0.00 H new ATOM 0 HA ILE A 80 0.657 10.548 -9.068 1.00 0.00 H new ATOM 0 HB ILE A 80 0.098 9.535 -6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.451 11.078 -8.412 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.521 9.341 -8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.506 11.782 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.234 11.653 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.151 12.457 -7.061 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.453 10.430 -7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.455 9.651 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.383 11.415 -6.167 1.00 0.00 H new ATOM 1307 N PHE A 81 3.261 9.928 -7.204 1.00 0.00 N ATOM 1308 CA PHE A 81 4.572 10.428 -6.837 1.00 0.00 C ATOM 1309 C PHE A 81 5.651 9.813 -7.724 1.00 0.00 C ATOM 1310 O PHE A 81 6.706 10.410 -7.939 1.00 0.00 O ATOM 1311 CB PHE A 81 4.889 10.162 -5.355 1.00 0.00 C ATOM 1312 CG PHE A 81 3.825 10.625 -4.402 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.515 10.198 -4.540 1.00 0.00 C ATOM 1314 CD2 PHE A 81 4.139 11.479 -3.357 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.541 10.614 -3.662 1.00 0.00 C ATOM 1316 CE2 PHE A 81 3.165 11.897 -2.470 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.863 11.464 -2.625 1.00 0.00 C ATOM 0 H PHE A 81 3.097 8.952 -6.958 1.00 0.00 H new ATOM 0 HA PHE A 81 4.561 11.507 -6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.045 9.092 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.827 10.656 -5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.255 9.530 -5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.156 11.822 -3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.523 10.275 -3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.422 12.561 -1.658 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.098 11.790 -1.936 1.00 0.00 H new ATOM 1327 N LEU A 82 5.376 8.619 -8.243 1.00 0.00 N ATOM 1328 CA LEU A 82 6.316 7.926 -9.113 1.00 0.00 C ATOM 1329 C LEU A 82 5.902 8.081 -10.575 1.00 0.00 C ATOM 1330 O LEU A 82 5.084 7.313 -11.083 1.00 0.00 O ATOM 1331 CB LEU A 82 6.384 6.444 -8.738 1.00 0.00 C ATOM 1332 CG LEU A 82 7.419 5.617 -9.509 1.00 0.00 C ATOM 1333 CD1 LEU A 82 6.916 5.299 -10.908 1.00 0.00 C ATOM 1334 CD2 LEU A 82 8.752 6.349 -9.572 1.00 0.00 C ATOM 0 H LEU A 82 4.507 8.112 -8.074 1.00 0.00 H new ATOM 0 HA LEU A 82 7.303 8.369 -8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.602 6.366 -7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.400 6.001 -8.895 1.00 0.00 H new ATOM 0 HG LEU A 82 7.570 4.677 -8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.665 4.711 -11.439 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.989 4.730 -10.841 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.733 6.228 -11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.473 5.745 -10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.618 7.306 -10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.121 6.521 -8.561 1.00 0.00 H new ATOM 1346 N GLU A 83 6.464 9.084 -11.241 1.00 0.00 N ATOM 1347 CA GLU A 83 6.147 9.345 -12.641 1.00 0.00 C ATOM 1348 C GLU A 83 6.931 8.418 -13.564 1.00 0.00 C ATOM 1349 O GLU A 83 6.378 7.853 -14.508 1.00 0.00 O ATOM 1350 CB GLU A 83 6.450 10.805 -12.988 1.00 0.00 C ATOM 1351 CG GLU A 83 5.231 11.712 -12.914 1.00 0.00 C ATOM 1352 CD GLU A 83 5.049 12.549 -14.165 1.00 0.00 C ATOM 1353 OE1 GLU A 83 5.217 12.002 -15.276 1.00 0.00 O ATOM 1354 OE2 GLU A 83 4.739 13.752 -14.035 1.00 0.00 O ATOM 0 H GLU A 83 7.141 9.729 -10.834 1.00 0.00 H new ATOM 0 HA GLU A 83 5.084 9.154 -12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.214 11.181 -12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.867 10.852 -13.994 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.340 11.104 -12.755 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.325 12.371 -12.051 1.00 0.00 H new ATOM 1361 N LEU A 84 8.224 8.268 -13.290 1.00 0.00 N ATOM 1362 CA LEU A 84 9.083 7.412 -14.100 1.00 0.00 C ATOM 1363 C LEU A 84 8.534 5.989 -14.167 1.00 0.00 C ATOM 1364 O LEU A 84 7.414 5.723 -13.731 1.00 0.00 O ATOM 1365 CB LEU A 84 10.505 7.401 -13.532 1.00 0.00 C ATOM 1366 CG LEU A 84 11.580 7.957 -14.469 1.00 0.00 C ATOM 1367 CD1 LEU A 84 11.514 9.476 -14.513 1.00 0.00 C ATOM 1368 CD2 LEU A 84 12.960 7.493 -14.029 1.00 0.00 C ATOM 0 H LEU A 84 8.699 8.728 -12.513 1.00 0.00 H new ATOM 0 HA LEU A 84 9.106 7.816 -15.112 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.515 7.979 -12.608 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.768 6.376 -13.270 1.00 0.00 H new ATOM 0 HG LEU A 84 11.394 7.577 -15.473 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.285 9.854 -15.184 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.534 9.787 -14.875 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.675 9.876 -13.512 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.713 7.897 -14.706 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.156 7.845 -13.016 1.00 0.00 H new ATOM 0 HD23 LEU A 84 13.001 6.404 -14.049 1.00 0.00 H new ATOM 1380 N VAL A 85 9.331 5.080 -14.719 1.00 0.00 N ATOM 1381 CA VAL A 85 8.926 3.685 -14.845 1.00 0.00 C ATOM 1382 C VAL A 85 10.092 2.745 -14.546 1.00 0.00 C ATOM 1383 O VAL A 85 10.705 2.191 -15.459 1.00 0.00 O ATOM 1384 CB VAL A 85 8.384 3.381 -16.255 1.00 0.00 C ATOM 1385 CG1 VAL A 85 6.989 3.963 -16.427 1.00 0.00 C ATOM 1386 CG2 VAL A 85 9.329 3.921 -17.318 1.00 0.00 C ATOM 0 H VAL A 85 10.261 5.284 -15.086 1.00 0.00 H new ATOM 0 HA VAL A 85 8.132 3.519 -14.116 1.00 0.00 H new ATOM 0 HB VAL A 85 8.319 2.300 -16.375 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.622 3.739 -17.429 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.318 3.525 -15.688 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.026 5.043 -16.288 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.930 3.697 -18.307 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.428 5.000 -17.202 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.307 3.453 -17.207 1.00 0.00 H new ATOM 1396 N PRO A 86 10.414 2.553 -13.255 1.00 0.00 N ATOM 1397 CA PRO A 86 11.511 1.678 -12.822 1.00 0.00 C ATOM 1398 C PRO A 86 11.323 0.235 -13.282 1.00 0.00 C ATOM 1399 O PRO A 86 10.232 -0.157 -13.695 1.00 0.00 O ATOM 1400 CB PRO A 86 11.424 1.776 -11.295 1.00 0.00 C ATOM 1401 CG PRO A 86 10.825 3.110 -11.068 1.00 0.00 C ATOM 1402 CD PRO A 86 9.746 3.168 -12.096 1.00 0.00 C ATOM 0 HA PRO A 86 12.474 1.975 -13.238 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.806 0.982 -10.876 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.407 1.693 -10.831 1.00 0.00 H new ATOM 0 HG2 PRO A 86 10.427 3.208 -10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.554 3.909 -11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 86 8.859 2.613 -11.791 1.00 0.00 H new ATOM 0 HD3 PRO A 86 9.428 4.190 -12.300 1.00 0.00 H new ATOM 1410 N ARG A 87 12.392 -0.550 -13.207 1.00 0.00 N ATOM 1411 CA ARG A 87 12.343 -1.948 -13.617 1.00 0.00 C ATOM 1412 C ARG A 87 13.383 -2.772 -12.865 1.00 0.00 C ATOM 1413 O ARG A 87 12.994 -3.764 -12.215 1.00 0.00 O ATOM 1414 CB ARG A 87 12.572 -2.068 -15.124 1.00 0.00 C ATOM 1415 CG ARG A 87 12.520 -3.498 -15.636 1.00 0.00 C ATOM 1416 CD ARG A 87 11.133 -4.098 -15.476 1.00 0.00 C ATOM 1417 NE ARG A 87 11.076 -5.481 -15.943 1.00 0.00 N ATOM 1418 CZ ARG A 87 11.581 -6.512 -15.269 1.00 0.00 C ATOM 1419 NH1 ARG A 87 12.178 -6.322 -14.100 1.00 0.00 N ATOM 1420 NH2 ARG A 87 11.487 -7.738 -15.766 1.00 0.00 N ATOM 1421 OXT ARG A 87 14.579 -2.416 -12.931 1.00 0.00 O ATOM 0 H ARG A 87 13.303 -0.242 -12.866 1.00 0.00 H new ATOM 0 HA ARG A 87 11.354 -2.337 -13.375 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.819 -1.477 -15.646 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.543 -1.638 -15.371 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.808 -3.520 -16.687 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.245 -4.106 -15.095 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.840 -4.058 -14.427 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.412 -3.498 -16.032 1.00 0.00 H new ATOM 0 HE ARG A 87 10.623 -5.668 -16.838 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.252 -5.382 -13.712 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.563 -7.116 -13.589 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.028 -7.890 -16.664 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.874 -8.528 -15.250 1.00 0.00 H new TER 1435 ARG A 87 HETATM 1436 ZN ZN A 88 -2.122 9.798 1.326 1.00 0.00 ZN