USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 806 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 85 SER OG : rot -57:sc= 0.221 USER MOD Set 1.2: A 88 HIS :FLIP no HD1:sc= -0.814 F(o=-3.1,f=-1) USER MOD Set 1.3: A 89 ASN :FLIP amide:sc= -0.456 F(o=-6.5,f=-1) USER MOD Set 2.1: A 23 HIS : no HD1:sc= -0.0204 X(o=0.4,f=0.003) USER MOD Set 2.2: A 47 HIS : no HE2:sc= 0.421 K(o=0.4,f=-2.5!) USER MOD Set 3.1: A 39 SER OG : rot -110:sc= 0 USER MOD Set 3.2: A 42 MET CE :methyl -129:sc= 0 (180deg=0) USER MOD Set 4.1: A 29 MET CE :methyl 150:sc= -1.79 (180deg=-3.42!) USER MOD Set 4.2: A 79 MET CE :methyl -156:sc= -4.78! (180deg=-7.15!) USER MOD Set 5.1: A 22 ASN : amide:sc= -1.24 X(o=-1.2,f=-0.78) USER MOD Set 5.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0927 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 14 GLN :FLIP amide:sc= -6.71! C(o=-9.8!,f=-6.7!) USER MOD Single : A 15 MET CE :methyl 152:sc= -7.53! (180deg=-9.99!) USER MOD Single : A 20 MET CE :methyl -168:sc= -5.47! (180deg=-5.86!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0328 X(o=-0.033,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ -129:sc= -1.26 (180deg=-3.8!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 53 MET CE :methyl 180:sc= -0.202 (180deg=-0.202) USER MOD Single : A 54 GLN : amide:sc= -0.586 K(o=-0.59,f=-6.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -167:sc= -3.79! (180deg=-3.79!) USER MOD Single : A 68 MET CE :methyl -97:sc= -0.0608 (180deg=-1.87!) USER MOD Single : A 69 MET CE :methyl -142:sc= -1.56 (180deg=-4.55!) USER MOD Single : A 70 MET CE :methyl 165:sc= -1.89 (180deg=-3.18!) USER MOD Single : A 72 ASN : amide:sc= -0.824 K(o=-0.82,f=-4.6!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.603 F(o=-1.8,f=-0.6) USER MOD Single : A 84 MET CE :methyl 162:sc= -1.85 (180deg=-2.65!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0.894 K(o=0.89,f=-0.11) USER MOD Single : A 97 MET CE :methyl 147:sc= -0.175 (180deg=-2.54) USER MOD Single : A 98 SER OG : rot 180:sc= 0.193 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 5.244 -4.761 12.174 1.00 0.00 N ATOM 2 CA PRO A 1 4.773 -4.835 10.747 1.00 0.00 C ATOM 3 C PRO A 1 4.913 -3.494 10.002 1.00 0.00 C ATOM 4 O PRO A 1 3.941 -2.889 9.551 1.00 0.00 O ATOM 5 CB PRO A 1 3.334 -5.387 10.703 1.00 0.00 C ATOM 6 CG PRO A 1 2.774 -5.089 12.090 1.00 0.00 C ATOM 7 CD PRO A 1 3.978 -4.716 12.968 1.00 0.00 C ATOM 0 H2 PRO A 1 5.817 -3.933 12.336 1.00 0.00 H new ATOM 0 H3 PRO A 1 5.813 -5.570 12.423 1.00 0.00 H new ATOM 0 HA PRO A 1 5.424 -5.526 10.211 1.00 0.00 H new ATOM 0 HB2 PRO A 1 2.746 -4.902 9.924 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.324 -6.456 10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.053 -4.273 12.051 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.252 -5.957 12.494 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.837 -3.717 13.382 1.00 0.00 H new ATOM 0 HD3 PRO A 1 4.047 -5.404 13.811 1.00 0.00 H new ATOM 15 N TYR A 2 6.157 -3.059 9.863 1.00 0.00 N ATOM 16 CA TYR A 2 6.471 -1.807 9.197 1.00 0.00 C ATOM 17 C TYR A 2 6.990 -2.049 7.788 1.00 0.00 C ATOM 18 O TYR A 2 6.781 -1.200 6.939 1.00 0.00 O ATOM 19 CB TYR A 2 7.542 -1.098 10.029 1.00 0.00 C ATOM 20 CG TYR A 2 8.745 -1.976 10.348 1.00 0.00 C ATOM 21 CD1 TYR A 2 8.732 -2.802 11.492 1.00 0.00 C ATOM 22 CD2 TYR A 2 9.848 -2.001 9.476 1.00 0.00 C ATOM 23 CE1 TYR A 2 9.835 -3.629 11.780 1.00 0.00 C ATOM 24 CE2 TYR A 2 10.950 -2.821 9.775 1.00 0.00 C ATOM 25 CZ TYR A 2 10.958 -3.617 10.930 1.00 0.00 C ATOM 26 OH TYR A 2 12.015 -4.437 11.164 1.00 0.00 O ATOM 0 H TYR A 2 6.974 -3.563 10.208 1.00 0.00 H new ATOM 0 HA TYR A 2 5.571 -1.198 9.114 1.00 0.00 H new ATOM 0 HB2 TYR A 2 7.881 -0.213 9.491 1.00 0.00 H new ATOM 0 HB3 TYR A 2 7.096 -0.753 10.962 1.00 0.00 H new ATOM 0 HD1 TYR A 2 7.874 -2.800 12.148 1.00 0.00 H new ATOM 0 HD2 TYR A 2 9.848 -1.394 8.583 1.00 0.00 H new ATOM 0 HE1 TYR A 2 9.820 -4.270 12.649 1.00 0.00 H new ATOM 0 HE2 TYR A 2 11.800 -2.838 9.108 1.00 0.00 H new ATOM 0 HH TYR A 2 12.698 -4.294 10.476 1.00 0.00 H new ATOM 36 N GLY A 3 7.577 -3.232 7.553 1.00 0.00 N ATOM 37 CA GLY A 3 8.155 -3.592 6.279 1.00 0.00 C ATOM 38 C GLY A 3 9.341 -2.695 5.940 1.00 0.00 C ATOM 39 O GLY A 3 9.290 -1.470 5.944 1.00 0.00 O ATOM 0 H GLY A 3 7.657 -3.964 8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.478 -4.633 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.399 -3.511 5.498 1.00 0.00 H new ATOM 43 N ARG A 4 10.481 -3.323 5.690 1.00 0.00 N ATOM 44 CA ARG A 4 11.680 -2.597 5.283 1.00 0.00 C ATOM 45 C ARG A 4 12.036 -2.862 3.822 1.00 0.00 C ATOM 46 O ARG A 4 13.120 -2.493 3.391 1.00 0.00 O ATOM 47 CB ARG A 4 12.836 -2.957 6.222 1.00 0.00 C ATOM 48 CG ARG A 4 13.920 -1.869 6.197 1.00 0.00 C ATOM 49 CD ARG A 4 15.314 -2.495 6.120 1.00 0.00 C ATOM 50 NE ARG A 4 16.358 -1.460 6.108 1.00 0.00 N ATOM 51 CZ ARG A 4 17.651 -1.675 6.256 1.00 0.00 C ATOM 52 NH1 ARG A 4 18.107 -2.886 6.448 1.00 0.00 N ATOM 53 NH2 ARG A 4 18.499 -0.683 6.228 1.00 0.00 N ATOM 0 H ARG A 4 10.603 -4.333 5.761 1.00 0.00 H new ATOM 0 HA ARG A 4 11.484 -1.528 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 4 12.460 -3.079 7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 4 13.267 -3.913 5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 4 13.763 -1.212 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 4 13.842 -1.251 7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 4 15.465 -3.159 6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 4 15.393 -3.106 5.221 1.00 0.00 H new ATOM 0 HE ARG A 4 16.057 -0.495 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 4 17.461 -3.674 6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 4 19.109 -3.042 6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 4 18.164 0.271 6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 4 19.497 -0.861 6.344 1.00 0.00 H new ATOM 67 N GLY A 5 11.195 -3.638 3.135 1.00 0.00 N ATOM 68 CA GLY A 5 11.440 -4.016 1.765 1.00 0.00 C ATOM 69 C GLY A 5 12.726 -4.807 1.654 1.00 0.00 C ATOM 70 O GLY A 5 13.470 -4.623 0.706 1.00 0.00 O ATOM 0 H GLY A 5 10.330 -4.015 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.607 -4.611 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.500 -3.124 1.141 1.00 0.00 H new ATOM 74 N ARG A 6 13.012 -5.650 2.654 1.00 0.00 N ATOM 75 CA ARG A 6 14.204 -6.490 2.677 1.00 0.00 C ATOM 76 C ARG A 6 14.103 -7.657 1.708 1.00 0.00 C ATOM 77 O ARG A 6 14.247 -8.799 2.142 1.00 0.00 O ATOM 78 CB ARG A 6 14.482 -6.998 4.094 1.00 0.00 C ATOM 79 CG ARG A 6 13.208 -7.576 4.741 1.00 0.00 C ATOM 80 CD ARG A 6 13.532 -8.807 5.587 1.00 0.00 C ATOM 81 NE ARG A 6 13.073 -10.040 4.927 1.00 0.00 N ATOM 82 CZ ARG A 6 12.991 -11.227 5.498 1.00 0.00 C ATOM 83 NH1 ARG A 6 13.306 -11.382 6.760 1.00 0.00 N ATOM 84 NH2 ARG A 6 12.572 -12.259 4.820 1.00 0.00 N ATOM 0 H ARG A 6 12.415 -5.765 3.473 1.00 0.00 H new ATOM 0 HA ARG A 6 15.038 -5.868 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.256 -7.764 4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.866 -6.182 4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.736 -6.816 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.491 -7.843 3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 6 14.607 -8.861 5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 6 13.058 -8.716 6.564 1.00 0.00 H new ATOM 0 HE ARG A 6 12.796 -9.971 3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.618 -10.581 7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.239 -12.303 7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.305 -12.152 3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.511 -13.173 5.268 1.00 0.00 H new ATOM 98 N THR A 7 13.765 -7.389 0.463 1.00 0.00 N ATOM 99 CA THR A 7 13.510 -8.403 -0.539 1.00 0.00 C ATOM 100 C THR A 7 13.809 -7.847 -1.916 1.00 0.00 C ATOM 101 O THR A 7 14.275 -6.719 -2.035 1.00 0.00 O ATOM 102 CB THR A 7 12.051 -8.885 -0.412 1.00 0.00 C ATOM 103 OG1 THR A 7 11.178 -7.786 -0.197 1.00 0.00 O ATOM 104 CG2 THR A 7 11.870 -9.805 0.804 1.00 0.00 C ATOM 0 H THR A 7 13.658 -6.437 0.112 1.00 0.00 H new ATOM 0 HA THR A 7 14.162 -9.263 -0.386 1.00 0.00 H new ATOM 0 HB THR A 7 11.821 -9.410 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.256 -8.110 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.830 -10.127 0.865 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.515 -10.678 0.699 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.136 -9.264 1.712 1.00 0.00 H new ATOM 112 N GLU A 8 13.566 -8.651 -2.941 1.00 0.00 N ATOM 113 CA GLU A 8 13.788 -8.238 -4.320 1.00 0.00 C ATOM 114 C GLU A 8 12.466 -7.909 -5.012 1.00 0.00 C ATOM 115 O GLU A 8 11.387 -7.907 -4.400 1.00 0.00 O ATOM 116 CB GLU A 8 14.559 -9.335 -5.065 1.00 0.00 C ATOM 117 CG GLU A 8 16.028 -9.351 -4.631 1.00 0.00 C ATOM 118 CD GLU A 8 16.925 -8.739 -5.708 1.00 0.00 C ATOM 119 OE1 GLU A 8 17.231 -9.470 -6.677 1.00 0.00 O ATOM 120 OE2 GLU A 8 17.257 -7.541 -5.572 1.00 0.00 O ATOM 0 H GLU A 8 13.212 -9.602 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 8 14.387 -7.327 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.105 -10.306 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.494 -9.167 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.142 -8.796 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.341 -10.376 -4.432 1.00 0.00 H new ATOM 127 N SER A 9 12.556 -7.591 -6.299 1.00 0.00 N ATOM 128 CA SER A 9 11.393 -7.322 -7.123 1.00 0.00 C ATOM 129 C SER A 9 10.499 -8.560 -7.262 1.00 0.00 C ATOM 130 O SER A 9 10.851 -9.679 -6.893 1.00 0.00 O ATOM 131 CB SER A 9 11.797 -6.799 -8.510 1.00 0.00 C ATOM 132 OG SER A 9 13.164 -7.019 -8.793 1.00 0.00 O ATOM 0 H SER A 9 13.443 -7.513 -6.797 1.00 0.00 H new ATOM 0 HA SER A 9 10.820 -6.545 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.188 -7.288 -9.271 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.584 -5.732 -8.569 1.00 0.00 H new ATOM 0 HG SER A 9 13.373 -6.672 -9.685 1.00 0.00 H new ATOM 138 N GLY A 10 9.305 -8.367 -7.819 1.00 0.00 N ATOM 139 CA GLY A 10 8.383 -9.473 -8.054 1.00 0.00 C ATOM 140 C GLY A 10 6.955 -9.040 -7.872 1.00 0.00 C ATOM 141 O GLY A 10 6.365 -8.474 -8.782 1.00 0.00 O ATOM 0 H GLY A 10 8.955 -7.456 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.523 -9.858 -9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.608 -10.289 -7.368 1.00 0.00 H new ATOM 145 N CYS A 11 6.450 -9.143 -6.642 1.00 0.00 N ATOM 146 CA CYS A 11 5.125 -8.670 -6.328 1.00 0.00 C ATOM 147 C CYS A 11 5.025 -7.146 -6.473 1.00 0.00 C ATOM 148 O CYS A 11 3.938 -6.585 -6.443 1.00 0.00 O ATOM 149 CB CYS A 11 4.727 -9.107 -4.928 1.00 0.00 C ATOM 150 SG CYS A 11 4.843 -10.865 -4.575 1.00 0.00 S ATOM 0 H CYS A 11 6.950 -9.553 -5.853 1.00 0.00 H new ATOM 0 HA CYS A 11 4.431 -9.113 -7.042 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.353 -8.573 -4.213 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.699 -8.790 -4.751 1.00 0.00 H new ATOM 155 N TYR A 12 6.168 -6.479 -6.564 1.00 0.00 N ATOM 156 CA TYR A 12 6.273 -5.061 -6.783 1.00 0.00 C ATOM 157 C TYR A 12 6.140 -4.695 -8.256 1.00 0.00 C ATOM 158 O TYR A 12 5.477 -3.733 -8.594 1.00 0.00 O ATOM 159 CB TYR A 12 7.656 -4.656 -6.296 1.00 0.00 C ATOM 160 CG TYR A 12 7.915 -3.174 -6.371 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.093 -2.282 -5.663 1.00 0.00 C ATOM 162 CD2 TYR A 12 8.967 -2.682 -7.161 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.331 -0.898 -5.721 1.00 0.00 C ATOM 164 CE2 TYR A 12 9.207 -1.297 -7.226 1.00 0.00 C ATOM 165 CZ TYR A 12 8.381 -0.402 -6.513 1.00 0.00 C ATOM 166 OH TYR A 12 8.646 0.932 -6.529 1.00 0.00 O ATOM 0 H TYR A 12 7.076 -6.937 -6.483 1.00 0.00 H new ATOM 0 HA TYR A 12 5.471 -4.548 -6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.779 -4.986 -5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.407 -5.178 -6.889 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.274 -2.662 -5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.591 -3.366 -7.718 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.709 -0.218 -5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.024 -0.919 -7.822 1.00 0.00 H new ATOM 0 HH TYR A 12 9.403 1.108 -7.126 1.00 0.00 H new ATOM 176 N GLN A 13 6.755 -5.485 -9.129 1.00 0.00 N ATOM 177 CA GLN A 13 6.684 -5.224 -10.551 1.00 0.00 C ATOM 178 C GLN A 13 5.237 -5.318 -11.018 1.00 0.00 C ATOM 179 O GLN A 13 4.768 -4.528 -11.800 1.00 0.00 O ATOM 180 CB GLN A 13 7.549 -6.239 -11.297 1.00 0.00 C ATOM 181 CG GLN A 13 7.294 -6.152 -12.807 1.00 0.00 C ATOM 182 CD GLN A 13 8.200 -7.068 -13.605 1.00 0.00 C ATOM 183 OE1 GLN A 13 9.171 -7.628 -13.117 1.00 0.00 O ATOM 184 NE2 GLN A 13 7.878 -7.281 -14.860 1.00 0.00 N ATOM 0 H GLN A 13 7.304 -6.306 -8.873 1.00 0.00 H new ATOM 0 HA GLN A 13 7.055 -4.220 -10.759 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.602 -6.052 -11.088 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.328 -7.245 -10.942 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.254 -6.407 -13.011 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.441 -5.124 -13.138 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.067 -6.813 -15.265 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.438 -7.915 -15.430 1.00 0.00 H new ATOM 193 N GLN A 14 4.510 -6.328 -10.558 1.00 0.00 N ATOM 194 CA GLN A 14 3.109 -6.473 -10.916 1.00 0.00 C ATOM 195 C GLN A 14 2.254 -5.363 -10.315 1.00 0.00 C ATOM 196 O GLN A 14 1.235 -5.006 -10.875 1.00 0.00 O ATOM 197 CB GLN A 14 2.585 -7.842 -10.477 1.00 0.00 C ATOM 198 CG GLN A 14 3.107 -8.224 -9.097 1.00 0.00 C ATOM 199 CD GLN A 14 2.169 -9.061 -8.288 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.203 -8.912 -6.971 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 1.412 -9.818 -8.841 1.00 0.00 N flip ATOM 0 H GLN A 14 4.867 -7.055 -9.939 1.00 0.00 H new ATOM 0 HA GLN A 14 3.038 -6.395 -12.001 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.495 -7.828 -10.464 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.886 -8.598 -11.203 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.046 -8.764 -9.215 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.331 -7.313 -8.542 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.423 -9.898 -9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.760 -10.379 -8.292 1.00 0.00 H new ATOM 210 N MET A 15 2.648 -4.855 -9.153 1.00 0.00 N ATOM 211 CA MET A 15 1.970 -3.790 -8.466 1.00 0.00 C ATOM 212 C MET A 15 1.796 -2.601 -9.366 1.00 0.00 C ATOM 213 O MET A 15 0.694 -2.104 -9.418 1.00 0.00 O ATOM 214 CB MET A 15 2.766 -3.320 -7.265 1.00 0.00 C ATOM 215 CG MET A 15 1.997 -3.516 -5.991 1.00 0.00 C ATOM 216 SD MET A 15 2.817 -2.651 -4.651 1.00 0.00 S ATOM 217 CE MET A 15 3.656 -4.029 -3.918 1.00 0.00 C ATOM 0 H MET A 15 3.474 -5.191 -8.658 1.00 0.00 H new ATOM 0 HA MET A 15 1.004 -4.186 -8.153 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.707 -3.868 -7.212 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.017 -2.266 -7.382 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.979 -3.144 -6.108 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.923 -4.579 -5.759 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.563 -3.682 -3.424 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.003 -4.505 -3.186 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.918 -4.750 -4.693 1.00 0.00 H new ATOM 227 N GLU A 16 2.848 -2.127 -10.025 1.00 0.00 N ATOM 228 CA GLU A 16 2.750 -1.001 -10.950 1.00 0.00 C ATOM 229 C GLU A 16 1.634 -1.219 -11.981 1.00 0.00 C ATOM 230 O GLU A 16 0.951 -0.274 -12.366 1.00 0.00 O ATOM 231 CB GLU A 16 4.102 -0.795 -11.650 1.00 0.00 C ATOM 232 CG GLU A 16 4.213 -1.631 -12.934 1.00 0.00 C ATOM 233 CD GLU A 16 5.655 -1.754 -13.420 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.498 -2.321 -12.683 1.00 0.00 O ATOM 235 OE2 GLU A 16 5.955 -1.208 -14.502 1.00 0.00 O ATOM 0 H GLU A 16 3.789 -2.510 -9.934 1.00 0.00 H new ATOM 0 HA GLU A 16 2.497 -0.106 -10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.229 0.260 -11.891 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.909 -1.066 -10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.806 -2.626 -12.754 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.606 -1.175 -13.716 1.00 0.00 H new ATOM 242 N GLU A 17 1.420 -2.484 -12.359 1.00 0.00 N ATOM 243 CA GLU A 17 0.407 -2.843 -13.319 1.00 0.00 C ATOM 244 C GLU A 17 -0.967 -2.813 -12.658 1.00 0.00 C ATOM 245 O GLU A 17 -1.980 -2.574 -13.315 1.00 0.00 O ATOM 246 CB GLU A 17 0.684 -4.240 -13.890 1.00 0.00 C ATOM 247 CG GLU A 17 0.445 -4.231 -15.403 1.00 0.00 C ATOM 248 CD GLU A 17 1.770 -4.255 -16.169 1.00 0.00 C ATOM 249 OE1 GLU A 17 2.658 -3.451 -15.834 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.881 -5.091 -17.093 1.00 0.00 O ATOM 0 H GLU A 17 1.952 -3.277 -12.000 1.00 0.00 H new ATOM 0 HA GLU A 17 0.427 -2.122 -14.136 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.711 -4.535 -13.675 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.035 -4.975 -13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.157 -5.095 -15.685 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.123 -3.343 -15.680 1.00 0.00 H new ATOM 257 N ALA A 18 -1.027 -3.074 -11.354 1.00 0.00 N ATOM 258 CA ALA A 18 -2.239 -3.012 -10.589 1.00 0.00 C ATOM 259 C ALA A 18 -2.070 -2.001 -9.480 1.00 0.00 C ATOM 260 O ALA A 18 -1.976 -2.401 -8.333 1.00 0.00 O ATOM 261 CB ALA A 18 -2.541 -4.424 -10.102 1.00 0.00 C ATOM 0 H ALA A 18 -0.211 -3.338 -10.802 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.093 -2.674 -11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.459 -4.418 -9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.664 -5.086 -10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.717 -4.780 -9.484 1.00 0.00 H new ATOM 267 N GLU A 19 -1.951 -0.712 -9.773 1.00 0.00 N ATOM 268 CA GLU A 19 -1.780 0.333 -8.776 1.00 0.00 C ATOM 269 C GLU A 19 -3.079 0.394 -7.923 1.00 0.00 C ATOM 270 O GLU A 19 -3.921 1.285 -7.906 1.00 0.00 O ATOM 271 CB GLU A 19 -1.404 1.652 -9.457 1.00 0.00 C ATOM 272 CG GLU A 19 -1.607 2.834 -8.520 1.00 0.00 C ATOM 273 CD GLU A 19 -2.779 3.725 -9.046 1.00 0.00 C ATOM 274 OE1 GLU A 19 -3.761 3.336 -9.723 1.00 0.00 O ATOM 275 OE2 GLU A 19 -2.802 4.903 -8.672 1.00 0.00 O ATOM 0 H GLU A 19 -1.971 -0.359 -10.730 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.954 0.120 -8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.363 1.614 -9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.010 1.787 -10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.830 2.479 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.691 3.421 -8.455 1.00 0.00 H new ATOM 282 N MET A 20 -3.303 -0.562 -7.067 1.00 0.00 N ATOM 283 CA MET A 20 -4.495 -0.603 -6.257 1.00 0.00 C ATOM 284 C MET A 20 -4.148 -0.095 -4.886 1.00 0.00 C ATOM 285 O MET A 20 -5.042 0.240 -4.110 1.00 0.00 O ATOM 286 CB MET A 20 -4.996 -2.027 -6.212 1.00 0.00 C ATOM 287 CG MET A 20 -4.316 -2.872 -5.169 1.00 0.00 C ATOM 288 SD MET A 20 -4.135 -4.579 -5.581 1.00 0.00 S ATOM 289 CE MET A 20 -2.866 -4.497 -6.802 1.00 0.00 C ATOM 0 H MET A 20 -2.663 -1.340 -6.908 1.00 0.00 H new ATOM 0 HA MET A 20 -5.285 0.024 -6.671 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.069 -2.020 -6.019 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.851 -2.485 -7.190 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.328 -2.455 -4.975 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.881 -2.797 -4.240 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.788 -5.458 -7.310 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.109 -3.721 -7.528 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.915 -4.261 -6.324 1.00 0.00 H new ATOM 299 N LEU A 21 -2.848 -0.075 -4.569 1.00 0.00 N ATOM 300 CA LEU A 21 -2.376 0.366 -3.280 1.00 0.00 C ATOM 301 C LEU A 21 -2.212 1.874 -3.284 1.00 0.00 C ATOM 302 O LEU A 21 -1.640 2.442 -2.367 1.00 0.00 O ATOM 303 CB LEU A 21 -1.106 -0.386 -2.919 1.00 0.00 C ATOM 304 CG LEU A 21 -1.186 -1.925 -2.971 1.00 0.00 C ATOM 305 CD1 LEU A 21 -2.538 -2.479 -2.565 1.00 0.00 C ATOM 306 CD2 LEU A 21 -0.736 -2.414 -4.335 1.00 0.00 C ATOM 0 H LEU A 21 -2.107 -0.366 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.104 0.138 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.313 -0.062 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.809 -0.093 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.502 -2.316 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.519 -3.567 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.763 -2.177 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.306 -2.092 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.794 -3.502 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.383 -1.992 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.292 -2.099 -4.513 1.00 0.00 H new ATOM 318 N ASN A 22 -2.786 2.517 -4.299 1.00 0.00 N ATOM 319 CA ASN A 22 -2.757 3.949 -4.412 1.00 0.00 C ATOM 320 C ASN A 22 -4.102 4.511 -4.018 1.00 0.00 C ATOM 321 O ASN A 22 -4.156 5.528 -3.355 1.00 0.00 O ATOM 322 CB ASN A 22 -2.491 4.353 -5.845 1.00 0.00 C ATOM 323 CG ASN A 22 -2.764 5.836 -6.085 1.00 0.00 C ATOM 324 OD1 ASN A 22 -3.851 6.271 -6.449 1.00 0.00 O ATOM 325 ND2 ASN A 22 -1.856 6.649 -5.595 1.00 0.00 N ATOM 0 H ASN A 22 -3.280 2.048 -5.058 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.970 4.331 -3.761 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.454 4.130 -6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.116 3.758 -6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.054 7.646 -5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.953 6.283 -5.293 1.00 0.00 H new ATOM 332 N HIS A 23 -5.200 3.834 -4.366 1.00 0.00 N ATOM 333 CA HIS A 23 -6.536 4.296 -4.053 1.00 0.00 C ATOM 334 C HIS A 23 -6.778 4.153 -2.564 1.00 0.00 C ATOM 335 O HIS A 23 -7.035 5.160 -1.909 1.00 0.00 O ATOM 336 CB HIS A 23 -7.552 3.493 -4.856 1.00 0.00 C ATOM 337 CG HIS A 23 -7.515 3.774 -6.331 1.00 0.00 C ATOM 338 ND1 HIS A 23 -8.474 4.489 -7.022 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.559 3.370 -7.231 1.00 0.00 C ATOM 340 CE1 HIS A 23 -8.105 4.523 -8.323 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.941 3.844 -8.473 1.00 0.00 N ATOM 0 H HIS A 23 -5.177 2.949 -4.873 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.644 5.347 -4.321 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.372 2.430 -4.693 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.552 3.709 -4.479 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.675 2.791 -7.010 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.651 5.013 -9.116 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.436 3.707 -9.348 1.00 0.00 H new ATOM 350 N CYS A 24 -6.710 2.915 -2.050 1.00 0.00 N ATOM 351 CA CYS A 24 -6.853 2.678 -0.619 1.00 0.00 C ATOM 352 C CYS A 24 -5.844 3.521 0.149 1.00 0.00 C ATOM 353 O CYS A 24 -6.168 3.954 1.233 1.00 0.00 O ATOM 354 CB CYS A 24 -6.651 1.204 -0.278 1.00 0.00 C ATOM 355 SG CYS A 24 -8.150 0.335 0.184 1.00 0.00 S ATOM 0 H CYS A 24 -6.558 2.073 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.866 2.961 -0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.206 0.703 -1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.935 1.128 0.541 1.00 0.00 H new ATOM 360 N GLY A 25 -4.701 3.848 -0.457 1.00 0.00 N ATOM 361 CA GLY A 25 -3.702 4.700 0.130 1.00 0.00 C ATOM 362 C GLY A 25 -4.147 6.141 0.154 1.00 0.00 C ATOM 363 O GLY A 25 -4.111 6.754 1.204 1.00 0.00 O ATOM 0 H GLY A 25 -4.453 3.514 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.490 4.367 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.773 4.615 -0.434 1.00 0.00 H new ATOM 367 N MET A 26 -4.686 6.659 -0.941 1.00 0.00 N ATOM 368 CA MET A 26 -5.131 8.023 -1.076 1.00 0.00 C ATOM 369 C MET A 26 -6.177 8.328 -0.049 1.00 0.00 C ATOM 370 O MET A 26 -6.096 9.371 0.555 1.00 0.00 O ATOM 371 CB MET A 26 -5.776 8.251 -2.440 1.00 0.00 C ATOM 372 CG MET A 26 -5.077 9.373 -3.192 1.00 0.00 C ATOM 373 SD MET A 26 -4.836 8.913 -4.914 1.00 0.00 S ATOM 374 CE MET A 26 -3.500 10.048 -5.344 1.00 0.00 C ATOM 0 H MET A 26 -4.827 6.111 -1.790 1.00 0.00 H new ATOM 0 HA MET A 26 -4.256 8.662 -0.953 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.731 7.333 -3.026 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.830 8.496 -2.311 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.670 10.285 -3.132 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.115 9.587 -2.727 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.219 9.901 -6.387 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.835 11.075 -5.199 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.638 9.854 -4.706 1.00 0.00 H new ATOM 384 N TYR A 27 -7.185 7.480 0.117 1.00 0.00 N ATOM 385 CA TYR A 27 -8.210 7.644 1.136 1.00 0.00 C ATOM 386 C TYR A 27 -7.633 7.993 2.504 1.00 0.00 C ATOM 387 O TYR A 27 -8.173 8.831 3.218 1.00 0.00 O ATOM 388 CB TYR A 27 -8.940 6.309 1.235 1.00 0.00 C ATOM 389 CG TYR A 27 -10.028 6.276 2.283 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.177 7.067 2.116 1.00 0.00 C ATOM 391 CD2 TYR A 27 -9.884 5.467 3.426 1.00 0.00 C ATOM 392 CE1 TYR A 27 -12.193 7.044 3.089 1.00 0.00 C ATOM 393 CE2 TYR A 27 -10.903 5.437 4.395 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.058 6.221 4.227 1.00 0.00 C ATOM 395 OH TYR A 27 -13.022 6.207 5.186 1.00 0.00 O ATOM 0 H TYR A 27 -7.313 6.649 -0.461 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.865 8.468 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.378 6.074 0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.214 5.526 1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.280 7.692 1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.993 4.871 3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.075 7.655 2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.798 4.811 5.269 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.767 5.583 5.897 1.00 0.00 H new ATOM 405 N LEU A 28 -6.477 7.416 2.813 1.00 0.00 N ATOM 406 CA LEU A 28 -5.797 7.645 4.065 1.00 0.00 C ATOM 407 C LEU A 28 -4.820 8.798 3.907 1.00 0.00 C ATOM 408 O LEU A 28 -4.604 9.532 4.854 1.00 0.00 O ATOM 409 CB LEU A 28 -5.089 6.382 4.532 1.00 0.00 C ATOM 410 CG LEU A 28 -5.780 5.053 4.176 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.773 3.996 3.752 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.643 4.580 5.308 1.00 0.00 C ATOM 0 H LEU A 28 -5.988 6.772 2.191 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.529 7.909 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.086 6.373 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.976 6.432 5.615 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.430 5.232 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.297 3.072 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.226 4.345 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.073 3.812 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.121 3.640 5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.028 4.429 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.408 5.327 5.519 1.00 0.00 H new ATOM 424 N MET A 29 -4.330 9.056 2.698 1.00 0.00 N ATOM 425 CA MET A 29 -3.492 10.171 2.325 1.00 0.00 C ATOM 426 C MET A 29 -4.280 11.442 2.026 1.00 0.00 C ATOM 427 O MET A 29 -3.746 12.433 1.541 1.00 0.00 O ATOM 428 CB MET A 29 -2.611 9.773 1.146 1.00 0.00 C ATOM 429 CG MET A 29 -1.140 9.935 1.486 1.00 0.00 C ATOM 430 SD MET A 29 -0.640 11.659 1.453 1.00 0.00 S ATOM 431 CE MET A 29 -0.645 11.907 -0.332 1.00 0.00 C ATOM 0 H MET A 29 -4.526 8.445 1.905 1.00 0.00 H new ATOM 0 HA MET A 29 -2.865 10.412 3.183 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.812 8.738 0.870 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.857 10.387 0.280 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.946 9.518 2.474 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.537 9.367 0.777 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.888 12.946 -0.554 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.340 11.670 -0.735 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.390 11.255 -0.788 1.00 0.00 H new ATOM 441 N LYS A 30 -5.588 11.425 2.253 1.00 0.00 N ATOM 442 CA LYS A 30 -6.448 12.555 1.987 1.00 0.00 C ATOM 443 C LYS A 30 -6.349 13.522 3.144 1.00 0.00 C ATOM 444 O LYS A 30 -6.654 14.686 2.933 1.00 0.00 O ATOM 445 CB LYS A 30 -7.878 12.061 1.739 1.00 0.00 C ATOM 446 CG LYS A 30 -8.239 12.238 0.259 1.00 0.00 C ATOM 447 CD LYS A 30 -8.929 13.589 0.041 1.00 0.00 C ATOM 448 CE LYS A 30 -8.044 14.585 -0.699 1.00 0.00 C ATOM 449 NZ LYS A 30 -7.958 14.238 -2.141 1.00 0.00 N ATOM 0 H LYS A 30 -6.079 10.615 2.631 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.137 13.086 1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.964 11.012 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.578 12.617 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.338 12.178 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.896 11.430 -0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.849 13.436 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.213 14.008 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.446 15.592 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.046 14.589 -0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.351 14.928 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.553 13.286 -2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.910 14.257 -2.560 1.00 0.00 H new ATOM 463 N ASN A 31 -5.959 13.022 4.320 1.00 0.00 N ATOM 464 CA ASN A 31 -5.722 13.859 5.486 1.00 0.00 C ATOM 465 C ASN A 31 -4.231 14.012 5.775 1.00 0.00 C ATOM 466 O ASN A 31 -3.867 14.761 6.670 1.00 0.00 O ATOM 467 CB ASN A 31 -6.412 13.215 6.691 1.00 0.00 C ATOM 468 CG ASN A 31 -7.848 13.665 6.803 1.00 0.00 C ATOM 469 OD1 ASN A 31 -8.251 14.381 7.694 1.00 0.00 O ATOM 470 ND2 ASN A 31 -8.651 13.277 5.841 1.00 0.00 N ATOM 0 H ASN A 31 -5.801 12.028 4.484 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.125 14.853 5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.375 12.130 6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.875 13.475 7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.626 13.578 5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.301 12.674 5.096 1.00 0.00 H new ATOM 477 N LEU A 32 -3.406 13.259 5.046 1.00 0.00 N ATOM 478 CA LEU A 32 -1.985 13.327 5.217 1.00 0.00 C ATOM 479 C LEU A 32 -1.425 14.452 4.390 1.00 0.00 C ATOM 480 O LEU A 32 -0.364 14.882 4.794 1.00 0.00 O ATOM 481 CB LEU A 32 -1.342 11.991 4.867 1.00 0.00 C ATOM 482 CG LEU A 32 -1.748 10.869 5.813 1.00 0.00 C ATOM 483 CD1 LEU A 32 -1.437 9.517 5.196 1.00 0.00 C ATOM 484 CD2 LEU A 32 -1.043 11.029 7.147 1.00 0.00 C ATOM 0 H LEU A 32 -3.715 12.598 4.333 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.755 13.532 6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.617 11.717 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.258 12.100 4.886 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.823 10.924 5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.733 8.726 5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.987 9.409 4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.367 9.445 4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.341 10.221 7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.036 10.995 6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.317 11.986 7.591 1.00 0.00 H new ATOM 496 N GLY A 33 -2.138 14.916 3.337 1.00 0.00 N ATOM 497 CA GLY A 33 -1.730 16.003 2.459 1.00 0.00 C ATOM 498 C GLY A 33 -0.227 15.987 2.203 1.00 0.00 C ATOM 499 O GLY A 33 0.553 16.669 2.859 1.00 0.00 O ATOM 0 H GLY A 33 -3.042 14.520 3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.262 15.924 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.013 16.957 2.905 1.00 0.00 H new ATOM 503 N GLU A 34 0.179 15.242 1.183 1.00 0.00 N ATOM 504 CA GLU A 34 1.595 15.121 0.873 1.00 0.00 C ATOM 505 C GLU A 34 2.072 16.330 0.076 1.00 0.00 C ATOM 506 O GLU A 34 2.287 16.256 -1.136 1.00 0.00 O ATOM 507 CB GLU A 34 1.880 13.821 0.120 1.00 0.00 C ATOM 508 CG GLU A 34 3.369 13.694 -0.209 1.00 0.00 C ATOM 509 CD GLU A 34 4.248 13.869 1.030 1.00 0.00 C ATOM 510 OE1 GLU A 34 3.764 13.614 2.150 1.00 0.00 O ATOM 511 OE2 GLU A 34 5.406 14.297 0.865 1.00 0.00 O ATOM 0 H GLU A 34 -0.442 14.720 0.565 1.00 0.00 H new ATOM 0 HA GLU A 34 2.150 15.091 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.563 12.970 0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.297 13.794 -0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.560 12.717 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.640 14.442 -0.954 1.00 0.00 H new ATOM 518 N ARG A 35 2.081 17.501 0.709 1.00 0.00 N ATOM 519 CA ARG A 35 2.521 18.726 0.070 1.00 0.00 C ATOM 520 C ARG A 35 2.501 19.848 1.084 1.00 0.00 C ATOM 521 O ARG A 35 3.554 20.363 1.420 1.00 0.00 O ATOM 522 CB ARG A 35 1.609 19.063 -1.126 1.00 0.00 C ATOM 523 CG ARG A 35 2.341 19.959 -2.118 1.00 0.00 C ATOM 524 CD ARG A 35 2.617 19.217 -3.432 1.00 0.00 C ATOM 525 NE ARG A 35 3.916 19.610 -4.000 1.00 0.00 N ATOM 526 CZ ARG A 35 4.328 19.336 -5.221 1.00 0.00 C ATOM 527 NH1 ARG A 35 3.551 18.712 -6.071 1.00 0.00 N ATOM 528 NH2 ARG A 35 5.506 19.736 -5.622 1.00 0.00 N ATOM 0 H ARG A 35 1.783 17.621 1.677 1.00 0.00 H new ATOM 0 HA ARG A 35 3.536 18.597 -0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.293 18.144 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.706 19.562 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.745 20.849 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.282 20.297 -1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.604 18.141 -3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.824 19.432 -4.148 1.00 0.00 H new ATOM 0 HE ARG A 35 4.549 20.138 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.611 18.431 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.886 18.508 -7.013 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.109 20.262 -4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.822 19.522 -6.568 1.00 0.00 H new ATOM 542 N SER A 36 1.296 20.279 1.468 1.00 0.00 N ATOM 543 CA SER A 36 1.104 21.355 2.427 1.00 0.00 C ATOM 544 C SER A 36 -0.380 21.523 2.719 1.00 0.00 C ATOM 545 O SER A 36 -0.829 21.304 3.837 1.00 0.00 O ATOM 546 CB SER A 36 1.678 22.655 1.857 1.00 0.00 C ATOM 547 OG SER A 36 1.409 23.736 2.711 1.00 0.00 O ATOM 0 H SER A 36 0.424 19.884 1.116 1.00 0.00 H new ATOM 0 HA SER A 36 1.621 21.112 3.355 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.755 22.553 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.248 22.847 0.874 1.00 0.00 H new ATOM 0 HG SER A 36 1.786 24.556 2.329 1.00 0.00 H new ATOM 553 N GLN A 37 -1.162 21.860 1.687 1.00 0.00 N ATOM 554 CA GLN A 37 -2.598 22.058 1.836 1.00 0.00 C ATOM 555 C GLN A 37 -3.280 22.053 0.476 1.00 0.00 C ATOM 556 O GLN A 37 -3.667 23.080 -0.076 1.00 0.00 O ATOM 557 CB GLN A 37 -2.868 23.364 2.584 1.00 0.00 C ATOM 558 CG GLN A 37 -4.282 23.335 3.168 1.00 0.00 C ATOM 559 CD GLN A 37 -4.478 24.394 4.241 1.00 0.00 C ATOM 560 OE1 GLN A 37 -3.576 25.084 4.677 1.00 0.00 O ATOM 561 NE2 GLN A 37 -5.701 24.563 4.691 1.00 0.00 N ATOM 0 H GLN A 37 -0.817 22.001 0.737 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.013 21.236 2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.137 23.497 3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.760 24.212 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.007 23.490 2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.479 22.350 3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.462 23.988 4.329 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.890 25.270 5.402 1.00 0.00 H new ATOM 570 N VAL A 38 -3.299 20.882 -0.149 1.00 0.00 N ATOM 571 CA VAL A 38 -3.955 20.732 -1.440 1.00 0.00 C ATOM 572 C VAL A 38 -5.466 20.803 -1.287 1.00 0.00 C ATOM 573 O VAL A 38 -5.970 20.824 -0.163 1.00 0.00 O ATOM 574 CB VAL A 38 -3.491 19.441 -2.117 1.00 0.00 C ATOM 575 CG1 VAL A 38 -1.981 19.517 -2.380 1.00 0.00 C ATOM 576 CG2 VAL A 38 -3.818 18.204 -1.272 1.00 0.00 C ATOM 0 H VAL A 38 -2.872 20.030 0.214 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.669 21.559 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.027 19.342 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.649 18.598 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.767 20.366 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.453 19.642 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.472 17.309 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.319 18.281 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.896 18.142 -1.120 1.00 0.00 H new ATOM 586 N SER A 39 -6.177 20.811 -2.420 1.00 0.00 N ATOM 587 CA SER A 39 -7.629 20.835 -2.416 1.00 0.00 C ATOM 588 C SER A 39 -8.207 19.769 -1.472 1.00 0.00 C ATOM 589 O SER A 39 -7.572 18.760 -1.125 1.00 0.00 O ATOM 590 CB SER A 39 -8.184 20.665 -3.845 1.00 0.00 C ATOM 591 OG SER A 39 -8.626 19.340 -4.106 1.00 0.00 O ATOM 0 H SER A 39 -5.761 20.801 -3.351 1.00 0.00 H new ATOM 0 HA SER A 39 -7.943 21.810 -2.042 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.013 21.356 -3.993 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.412 20.935 -4.565 1.00 0.00 H new ATOM 0 HG SER A 39 -8.017 18.912 -4.744 1.00 0.00 H new ATOM 597 N PRO A 40 -9.496 19.909 -1.158 1.00 0.00 N ATOM 598 CA PRO A 40 -10.170 18.949 -0.302 1.00 0.00 C ATOM 599 C PRO A 40 -10.443 17.633 -1.036 1.00 0.00 C ATOM 600 O PRO A 40 -9.882 17.303 -2.088 1.00 0.00 O ATOM 601 CB PRO A 40 -11.453 19.649 0.171 1.00 0.00 C ATOM 602 CG PRO A 40 -11.689 20.787 -0.818 1.00 0.00 C ATOM 603 CD PRO A 40 -10.395 20.959 -1.608 1.00 0.00 C ATOM 0 HA PRO A 40 -9.555 18.661 0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.296 18.958 0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -11.340 20.029 1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -12.520 20.555 -1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.947 21.707 -0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.580 20.879 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.961 21.943 -1.433 1.00 0.00 H new ATOM 611 N ARG A 41 -11.300 16.801 -0.451 1.00 0.00 N ATOM 612 CA ARG A 41 -11.721 15.563 -1.051 1.00 0.00 C ATOM 613 C ARG A 41 -12.750 15.826 -2.127 1.00 0.00 C ATOM 614 O ARG A 41 -13.763 15.171 -2.119 1.00 0.00 O ATOM 615 CB ARG A 41 -12.270 14.609 0.013 1.00 0.00 C ATOM 616 CG ARG A 41 -12.272 13.163 -0.515 1.00 0.00 C ATOM 617 CD ARG A 41 -13.679 12.640 -0.791 1.00 0.00 C ATOM 618 NE ARG A 41 -13.990 11.509 0.079 1.00 0.00 N ATOM 619 CZ ARG A 41 -14.450 11.611 1.313 1.00 0.00 C ATOM 620 NH1 ARG A 41 -14.600 12.782 1.885 1.00 0.00 N ATOM 621 NH2 ARG A 41 -14.658 10.532 2.014 1.00 0.00 N ATOM 0 H ARG A 41 -11.719 16.980 0.462 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.857 15.087 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.663 14.673 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.283 14.904 0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.684 13.114 -1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.783 12.514 0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.406 13.437 -0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.761 12.336 -1.834 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.841 10.571 -0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.360 13.633 1.376 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.957 12.842 2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.466 9.616 1.609 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.013 10.604 2.967 1.00 0.00 H new ATOM 635 N MET A 42 -12.502 16.758 -3.034 1.00 0.00 N ATOM 636 CA MET A 42 -13.414 17.049 -4.128 1.00 0.00 C ATOM 637 C MET A 42 -13.902 15.776 -4.831 1.00 0.00 C ATOM 638 O MET A 42 -14.998 15.771 -5.364 1.00 0.00 O ATOM 639 CB MET A 42 -12.690 17.923 -5.153 1.00 0.00 C ATOM 640 CG MET A 42 -11.322 17.331 -5.527 1.00 0.00 C ATOM 641 SD MET A 42 -10.829 17.711 -7.217 1.00 0.00 S ATOM 642 CE MET A 42 -10.356 19.443 -6.965 1.00 0.00 C ATOM 0 H MET A 42 -11.661 17.335 -3.032 1.00 0.00 H new ATOM 0 HA MET A 42 -14.283 17.558 -3.711 1.00 0.00 H new ATOM 0 HB2 MET A 42 -13.303 18.020 -6.049 1.00 0.00 H new ATOM 0 HB3 MET A 42 -12.556 18.926 -4.748 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.567 17.713 -4.840 1.00 0.00 H new ATOM 0 HG3 MET A 42 -11.353 16.249 -5.398 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.853 20.068 -7.707 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.654 19.760 -5.965 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.276 19.544 -7.071 1.00 0.00 H new ATOM 652 N ARG A 43 -13.072 14.715 -4.813 1.00 0.00 N ATOM 653 CA ARG A 43 -13.432 13.425 -5.338 1.00 0.00 C ATOM 654 C ARG A 43 -14.773 12.980 -4.775 1.00 0.00 C ATOM 655 O ARG A 43 -15.016 13.090 -3.581 1.00 0.00 O ATOM 656 CB ARG A 43 -12.330 12.399 -5.048 1.00 0.00 C ATOM 657 CG ARG A 43 -12.089 11.552 -6.302 1.00 0.00 C ATOM 658 CD ARG A 43 -10.980 12.174 -7.163 1.00 0.00 C ATOM 659 NE ARG A 43 -9.644 11.911 -6.583 1.00 0.00 N ATOM 660 CZ ARG A 43 -8.536 12.561 -6.889 1.00 0.00 C ATOM 661 NH1 ARG A 43 -8.553 13.553 -7.738 1.00 0.00 N ATOM 662 NH2 ARG A 43 -7.411 12.267 -6.281 1.00 0.00 N ATOM 0 H ARG A 43 -12.129 14.751 -4.426 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.534 13.501 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.411 12.907 -4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.621 11.761 -4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.810 10.538 -6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.009 11.478 -6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.028 11.767 -8.173 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.139 13.249 -7.245 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.573 11.166 -5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.430 13.835 -8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.689 14.045 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.391 11.535 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.556 12.770 -6.519 1.00 0.00 H new ATOM 676 N GLU A 44 -15.564 12.356 -5.610 1.00 0.00 N ATOM 677 CA GLU A 44 -16.851 11.810 -5.194 1.00 0.00 C ATOM 678 C GLU A 44 -16.828 10.280 -5.221 1.00 0.00 C ATOM 679 O GLU A 44 -17.559 9.638 -4.476 1.00 0.00 O ATOM 680 CB GLU A 44 -17.961 12.342 -6.101 1.00 0.00 C ATOM 681 CG GLU A 44 -17.702 11.995 -7.581 1.00 0.00 C ATOM 682 CD GLU A 44 -18.861 11.194 -8.179 1.00 0.00 C ATOM 683 OE1 GLU A 44 -18.871 9.964 -7.949 1.00 0.00 O ATOM 684 OE2 GLU A 44 -19.740 11.847 -8.788 1.00 0.00 O ATOM 0 H GLU A 44 -15.345 12.207 -6.595 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.047 12.127 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -18.918 11.922 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.036 13.424 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.560 12.913 -8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.779 11.421 -7.665 1.00 0.00 H new ATOM 691 N GLU A 45 -15.876 9.707 -5.966 1.00 0.00 N ATOM 692 CA GLU A 45 -15.769 8.274 -6.112 1.00 0.00 C ATOM 693 C GLU A 45 -15.070 7.732 -4.876 1.00 0.00 C ATOM 694 O GLU A 45 -13.892 8.036 -4.615 1.00 0.00 O ATOM 695 CB GLU A 45 -15.010 7.913 -7.398 1.00 0.00 C ATOM 696 CG GLU A 45 -15.991 7.423 -8.478 1.00 0.00 C ATOM 697 CD GLU A 45 -15.565 7.875 -9.876 1.00 0.00 C ATOM 698 OE1 GLU A 45 -15.652 9.092 -10.148 1.00 0.00 O ATOM 699 OE2 GLU A 45 -14.938 7.040 -10.571 1.00 0.00 O ATOM 0 H GLU A 45 -15.167 10.232 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.758 7.824 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.463 8.783 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.273 7.138 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.050 6.335 -8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.990 7.802 -8.261 1.00 0.00 H new ATOM 706 N ASP A 46 -15.787 6.899 -4.130 1.00 0.00 N ATOM 707 CA ASP A 46 -15.264 6.296 -2.923 1.00 0.00 C ATOM 708 C ASP A 46 -14.154 5.319 -3.296 1.00 0.00 C ATOM 709 O ASP A 46 -14.219 4.578 -4.289 1.00 0.00 O ATOM 710 CB ASP A 46 -16.365 5.543 -2.170 1.00 0.00 C ATOM 711 CG ASP A 46 -16.083 5.402 -0.671 1.00 0.00 C ATOM 712 OD1 ASP A 46 -15.056 5.957 -0.202 1.00 0.00 O ATOM 713 OD2 ASP A 46 -16.829 4.652 -0.011 1.00 0.00 O ATOM 0 H ASP A 46 -16.745 6.627 -4.350 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.876 7.084 -2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -17.312 6.065 -2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.481 4.551 -2.606 1.00 0.00 H new ATOM 718 N HIS A 47 -13.076 5.300 -2.524 1.00 0.00 N ATOM 719 CA HIS A 47 -11.965 4.396 -2.774 1.00 0.00 C ATOM 720 C HIS A 47 -11.747 3.548 -1.557 1.00 0.00 C ATOM 721 O HIS A 47 -11.524 4.103 -0.491 1.00 0.00 O ATOM 722 CB HIS A 47 -10.723 5.198 -3.144 1.00 0.00 C ATOM 723 CG HIS A 47 -10.853 5.853 -4.501 1.00 0.00 C ATOM 724 ND1 HIS A 47 -11.832 5.553 -5.440 1.00 0.00 N ATOM 725 CD2 HIS A 47 -10.043 6.830 -5.027 1.00 0.00 C ATOM 726 CE1 HIS A 47 -11.647 6.357 -6.504 1.00 0.00 C ATOM 727 NE2 HIS A 47 -10.553 7.129 -6.282 1.00 0.00 N ATOM 0 H HIS A 47 -12.948 5.906 -1.714 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.187 3.737 -3.613 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.547 5.963 -2.388 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -9.853 4.541 -3.141 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -12.562 4.848 -5.341 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.180 7.277 -4.556 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.267 6.383 -7.388 1.00 0.00 H new ATOM 736 N LYS A 48 -11.731 2.227 -1.757 1.00 0.00 N ATOM 737 CA LYS A 48 -11.524 1.248 -0.698 1.00 0.00 C ATOM 738 C LYS A 48 -11.756 -0.162 -1.213 1.00 0.00 C ATOM 739 O LYS A 48 -11.047 -1.085 -0.852 1.00 0.00 O ATOM 740 CB LYS A 48 -12.449 1.549 0.484 1.00 0.00 C ATOM 741 CG LYS A 48 -11.634 1.768 1.765 1.00 0.00 C ATOM 742 CD LYS A 48 -12.550 1.935 2.984 1.00 0.00 C ATOM 743 CE LYS A 48 -13.174 0.589 3.385 1.00 0.00 C ATOM 744 NZ LYS A 48 -14.381 0.301 2.568 1.00 0.00 N ATOM 0 H LYS A 48 -11.864 1.806 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.490 1.317 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.045 2.436 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.146 0.723 0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.965 0.922 1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.008 2.653 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.980 2.340 3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.338 2.653 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.443 -0.209 3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.441 0.607 4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.174 0.056 3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.629 1.141 2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.186 -0.496 1.929 1.00 0.00 H new ATOM 758 N GLN A 49 -12.676 -0.298 -2.163 1.00 0.00 N ATOM 759 CA GLN A 49 -12.956 -1.568 -2.773 1.00 0.00 C ATOM 760 C GLN A 49 -12.093 -1.726 -3.986 1.00 0.00 C ATOM 761 O GLN A 49 -11.743 -2.838 -4.240 1.00 0.00 O ATOM 762 CB GLN A 49 -14.410 -1.667 -3.210 1.00 0.00 C ATOM 763 CG GLN A 49 -15.166 -2.598 -2.265 1.00 0.00 C ATOM 764 CD GLN A 49 -16.622 -2.763 -2.669 1.00 0.00 C ATOM 765 OE1 GLN A 49 -17.062 -2.352 -3.723 1.00 0.00 O ATOM 766 NE2 GLN A 49 -17.404 -3.361 -1.801 1.00 0.00 N ATOM 0 H GLN A 49 -13.239 0.473 -2.522 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.755 -2.347 -2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.869 -0.678 -3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.469 -2.043 -4.231 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.681 -3.574 -2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.114 -2.204 -1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.021 -3.701 -0.919 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.395 -3.485 -2.008 1.00 0.00 H new ATOM 775 N LEU A 50 -11.625 -0.676 -4.654 1.00 0.00 N ATOM 776 CA LEU A 50 -10.730 -0.771 -5.795 1.00 0.00 C ATOM 777 C LEU A 50 -9.391 -1.371 -5.363 1.00 0.00 C ATOM 778 O LEU A 50 -8.707 -1.965 -6.175 1.00 0.00 O ATOM 779 CB LEU A 50 -10.559 0.634 -6.397 1.00 0.00 C ATOM 780 CG LEU A 50 -11.602 0.961 -7.480 1.00 0.00 C ATOM 781 CD1 LEU A 50 -11.830 2.476 -7.533 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.152 0.432 -8.844 1.00 0.00 C ATOM 0 H LEU A 50 -11.865 0.285 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.147 -1.431 -6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.628 1.374 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.561 0.719 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.542 0.470 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.569 2.706 -8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.192 2.824 -6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.892 2.977 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.904 0.674 -9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.204 0.894 -9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.027 -0.650 -8.792 1.00 0.00 H new ATOM 794 N CYS A 51 -9.052 -1.268 -4.075 1.00 0.00 N ATOM 795 CA CYS A 51 -7.865 -1.878 -3.530 1.00 0.00 C ATOM 796 C CYS A 51 -8.158 -3.286 -3.092 1.00 0.00 C ATOM 797 O CYS A 51 -7.450 -4.165 -3.539 1.00 0.00 O ATOM 798 CB CYS A 51 -7.339 -1.051 -2.377 1.00 0.00 C ATOM 799 SG CYS A 51 -7.895 -1.434 -0.685 1.00 0.00 S ATOM 0 H CYS A 51 -9.604 -0.754 -3.389 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.097 -1.916 -4.303 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.252 -1.124 -2.390 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.591 -0.010 -2.578 1.00 0.00 H new ATOM 804 N CYS A 52 -9.264 -3.509 -2.370 1.00 0.00 N ATOM 805 CA CYS A 52 -9.673 -4.838 -1.946 1.00 0.00 C ATOM 806 C CYS A 52 -10.169 -5.649 -3.148 1.00 0.00 C ATOM 807 O CYS A 52 -10.503 -6.816 -3.006 1.00 0.00 O ATOM 808 CB CYS A 52 -10.724 -4.739 -0.832 1.00 0.00 C ATOM 809 SG CYS A 52 -9.976 -4.722 0.829 1.00 0.00 S ATOM 0 H CYS A 52 -9.895 -2.767 -2.067 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.815 -5.368 -1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.313 -3.833 -0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.412 -5.581 -0.909 1.00 0.00 H new ATOM 814 N MET A 53 -10.228 -5.036 -4.329 1.00 0.00 N ATOM 815 CA MET A 53 -10.729 -5.632 -5.538 1.00 0.00 C ATOM 816 C MET A 53 -9.539 -6.137 -6.317 1.00 0.00 C ATOM 817 O MET A 53 -9.527 -7.291 -6.711 1.00 0.00 O ATOM 818 CB MET A 53 -11.519 -4.616 -6.370 1.00 0.00 C ATOM 819 CG MET A 53 -11.749 -5.117 -7.785 1.00 0.00 C ATOM 820 SD MET A 53 -10.703 -4.221 -8.955 1.00 0.00 S ATOM 821 CE MET A 53 -10.379 -5.561 -10.120 1.00 0.00 C ATOM 0 H MET A 53 -9.913 -4.075 -4.461 1.00 0.00 H new ATOM 0 HA MET A 53 -11.411 -6.448 -5.298 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.479 -4.419 -5.892 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.978 -3.670 -6.401 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.532 -6.184 -7.838 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.797 -4.991 -8.055 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.741 -5.197 -10.925 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.879 -6.380 -9.603 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.321 -5.916 -10.537 1.00 0.00 H new ATOM 831 N GLN A 54 -8.576 -5.261 -6.595 1.00 0.00 N ATOM 832 CA GLN A 54 -7.417 -5.653 -7.367 1.00 0.00 C ATOM 833 C GLN A 54 -6.516 -6.535 -6.542 1.00 0.00 C ATOM 834 O GLN A 54 -5.902 -7.417 -7.111 1.00 0.00 O ATOM 835 CB GLN A 54 -6.627 -4.436 -7.791 1.00 0.00 C ATOM 836 CG GLN A 54 -7.123 -3.856 -9.101 1.00 0.00 C ATOM 837 CD GLN A 54 -7.399 -2.361 -9.045 1.00 0.00 C ATOM 838 OE1 GLN A 54 -6.707 -1.550 -8.470 1.00 0.00 O ATOM 839 NE2 GLN A 54 -8.451 -1.917 -9.674 1.00 0.00 N ATOM 0 H GLN A 54 -8.581 -4.286 -6.297 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.768 -6.192 -8.247 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.690 -3.676 -7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.575 -4.705 -7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.383 -4.051 -9.877 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.036 -4.374 -9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.060 -2.567 -10.171 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.665 -0.920 -9.669 1.00 0.00 H new ATOM 848 N LEU A 55 -6.472 -6.361 -5.219 1.00 0.00 N ATOM 849 CA LEU A 55 -5.638 -7.184 -4.359 1.00 0.00 C ATOM 850 C LEU A 55 -6.013 -8.646 -4.545 1.00 0.00 C ATOM 851 O LEU A 55 -5.164 -9.502 -4.399 1.00 0.00 O ATOM 852 CB LEU A 55 -5.855 -6.764 -2.915 1.00 0.00 C ATOM 853 CG LEU A 55 -4.809 -5.783 -2.342 1.00 0.00 C ATOM 854 CD1 LEU A 55 -5.434 -4.648 -1.513 1.00 0.00 C ATOM 855 CD2 LEU A 55 -3.751 -6.526 -1.521 1.00 0.00 C ATOM 0 H LEU A 55 -7.011 -5.651 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.587 -7.054 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.840 -6.305 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.867 -7.659 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.329 -5.316 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.646 -3.994 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.116 -4.073 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.983 -5.072 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.027 -5.812 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.232 -7.046 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.240 -7.250 -2.156 1.00 0.00 H new ATOM 867 N LYS A 56 -7.262 -8.924 -4.920 1.00 0.00 N ATOM 868 CA LYS A 56 -7.670 -10.262 -5.282 1.00 0.00 C ATOM 869 C LYS A 56 -6.992 -10.751 -6.559 1.00 0.00 C ATOM 870 O LYS A 56 -6.606 -11.906 -6.611 1.00 0.00 O ATOM 871 CB LYS A 56 -9.193 -10.299 -5.380 1.00 0.00 C ATOM 872 CG LYS A 56 -9.675 -11.689 -5.806 1.00 0.00 C ATOM 873 CD LYS A 56 -10.859 -12.138 -4.949 1.00 0.00 C ATOM 874 CE LYS A 56 -11.722 -13.144 -5.718 1.00 0.00 C ATOM 875 NZ LYS A 56 -13.129 -13.064 -5.258 1.00 0.00 N ATOM 0 H LYS A 56 -8.006 -8.228 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.347 -10.956 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.631 -10.036 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.534 -9.554 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.966 -11.672 -6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.860 -12.406 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.497 -12.590 -4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.460 -11.274 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.668 -12.939 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.339 -14.153 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.706 -13.750 -5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.175 -13.281 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.494 -12.104 -5.424 1.00 0.00 H new ATOM 889 N ASN A 57 -6.956 -9.914 -7.596 1.00 0.00 N ATOM 890 CA ASN A 57 -6.212 -10.222 -8.800 1.00 0.00 C ATOM 891 C ASN A 57 -4.749 -10.571 -8.525 1.00 0.00 C ATOM 892 O ASN A 57 -4.148 -11.265 -9.337 1.00 0.00 O ATOM 893 CB ASN A 57 -6.258 -9.034 -9.782 1.00 0.00 C ATOM 894 CG ASN A 57 -7.181 -9.275 -10.952 1.00 0.00 C ATOM 895 OD1 ASN A 57 -7.594 -10.372 -11.278 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.597 -8.204 -11.588 1.00 0.00 N ATOM 0 H ASN A 57 -7.438 -9.016 -7.618 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.692 -11.099 -9.235 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.582 -8.140 -9.248 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.252 -8.837 -10.153 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.265 -8.293 -12.354 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.252 -7.283 -11.316 1.00 0.00 H new ATOM 903 N LEU A 58 -4.172 -9.958 -7.485 1.00 0.00 N ATOM 904 CA LEU A 58 -2.822 -10.261 -7.076 1.00 0.00 C ATOM 905 C LEU A 58 -2.688 -11.715 -6.604 1.00 0.00 C ATOM 906 O LEU A 58 -3.598 -12.534 -6.700 1.00 0.00 O ATOM 907 CB LEU A 58 -2.368 -9.239 -6.020 1.00 0.00 C ATOM 908 CG LEU A 58 -1.745 -7.977 -6.589 1.00 0.00 C ATOM 909 CD1 LEU A 58 -1.214 -7.093 -5.454 1.00 0.00 C ATOM 910 CD2 LEU A 58 -0.621 -8.322 -7.521 1.00 0.00 C ATOM 0 H LEU A 58 -4.633 -9.247 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.155 -10.173 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.227 -8.961 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.647 -9.717 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.512 -7.434 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.769 -6.191 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.035 -6.819 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.460 -7.640 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.185 -7.406 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.142 -8.881 -6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.002 -8.930 -8.341 1.00 0.00 H new ATOM 922 N ASP A 59 -1.513 -12.045 -6.091 1.00 0.00 N ATOM 923 CA ASP A 59 -1.261 -13.376 -5.595 1.00 0.00 C ATOM 924 C ASP A 59 -1.475 -13.403 -4.095 1.00 0.00 C ATOM 925 O ASP A 59 -1.145 -12.439 -3.401 1.00 0.00 O ATOM 926 CB ASP A 59 0.174 -13.790 -5.905 1.00 0.00 C ATOM 927 CG ASP A 59 0.525 -13.674 -7.385 1.00 0.00 C ATOM 928 OD1 ASP A 59 -0.236 -14.222 -8.201 1.00 0.00 O ATOM 929 OD2 ASP A 59 1.648 -13.194 -7.644 1.00 0.00 O ATOM 0 H ASP A 59 -0.723 -11.405 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.946 -14.071 -6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.858 -13.169 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.327 -14.820 -5.581 1.00 0.00 H new ATOM 934 N GLU A 60 -1.717 -14.594 -3.552 1.00 0.00 N ATOM 935 CA GLU A 60 -1.915 -14.761 -2.112 1.00 0.00 C ATOM 936 C GLU A 60 -0.581 -14.642 -1.375 1.00 0.00 C ATOM 937 O GLU A 60 -0.518 -14.297 -0.200 1.00 0.00 O ATOM 938 CB GLU A 60 -2.545 -16.127 -1.811 1.00 0.00 C ATOM 939 CG GLU A 60 -3.724 -15.964 -0.843 1.00 0.00 C ATOM 940 CD GLU A 60 -4.007 -17.275 -0.101 1.00 0.00 C ATOM 941 OE1 GLU A 60 -3.394 -17.467 0.974 1.00 0.00 O ATOM 942 OE2 GLU A 60 -4.796 -18.080 -0.640 1.00 0.00 O ATOM 0 H GLU A 60 -1.781 -15.460 -4.088 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.587 -13.975 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.886 -16.590 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.798 -16.793 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.503 -15.175 -0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.612 -15.654 -1.394 1.00 0.00 H new ATOM 949 N LYS A 61 0.519 -14.887 -2.095 1.00 0.00 N ATOM 950 CA LYS A 61 1.844 -14.718 -1.557 1.00 0.00 C ATOM 951 C LYS A 61 2.331 -13.314 -1.805 1.00 0.00 C ATOM 952 O LYS A 61 3.397 -13.021 -1.319 1.00 0.00 O ATOM 953 CB LYS A 61 2.770 -15.778 -2.155 1.00 0.00 C ATOM 954 CG LYS A 61 3.142 -15.463 -3.610 1.00 0.00 C ATOM 955 CD LYS A 61 3.875 -16.645 -4.252 1.00 0.00 C ATOM 956 CE LYS A 61 3.004 -17.293 -5.336 1.00 0.00 C ATOM 957 NZ LYS A 61 2.186 -18.390 -4.762 1.00 0.00 N ATOM 0 H LYS A 61 0.500 -15.207 -3.063 1.00 0.00 H new ATOM 0 HA LYS A 61 1.834 -14.859 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.678 -15.846 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.283 -16.752 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.241 -15.235 -4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.774 -14.575 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.815 -16.305 -4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.126 -17.383 -3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.353 -16.542 -5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.637 -17.683 -6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.603 -18.817 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.812 -19.114 -4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.568 -18.009 -4.017 1.00 0.00 H new ATOM 971 N CYS A 62 1.649 -12.500 -2.604 1.00 0.00 N ATOM 972 CA CYS A 62 1.981 -11.113 -2.836 1.00 0.00 C ATOM 973 C CYS A 62 1.072 -10.219 -1.990 1.00 0.00 C ATOM 974 O CYS A 62 1.384 -9.067 -1.717 1.00 0.00 O ATOM 975 CB CYS A 62 1.835 -10.811 -4.313 1.00 0.00 C ATOM 976 SG CYS A 62 3.129 -11.559 -5.340 1.00 0.00 S ATOM 0 H CYS A 62 0.824 -12.805 -3.121 1.00 0.00 H new ATOM 0 HA CYS A 62 3.012 -10.916 -2.543 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.862 -11.166 -4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.848 -9.731 -4.457 1.00 0.00 H new ATOM 981 N MET A 63 0.018 -10.757 -1.411 1.00 0.00 N ATOM 982 CA MET A 63 -0.893 -9.999 -0.598 1.00 0.00 C ATOM 983 C MET A 63 -0.357 -9.947 0.808 1.00 0.00 C ATOM 984 O MET A 63 -0.935 -10.457 1.725 1.00 0.00 O ATOM 985 CB MET A 63 -2.251 -10.658 -0.658 1.00 0.00 C ATOM 986 CG MET A 63 -2.967 -10.406 -1.973 1.00 0.00 C ATOM 987 SD MET A 63 -3.967 -11.811 -2.503 1.00 0.00 S ATOM 988 CE MET A 63 -4.825 -12.189 -0.972 1.00 0.00 C ATOM 0 H MET A 63 -0.227 -11.743 -1.496 1.00 0.00 H new ATOM 0 HA MET A 63 -0.993 -8.976 -0.960 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.136 -11.732 -0.512 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.866 -10.289 0.163 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.606 -9.529 -1.872 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.231 -10.177 -2.744 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.306 -13.164 -1.055 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.110 -12.206 -0.149 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.581 -11.427 -0.781 1.00 0.00 H new ATOM 998 N CYS A 64 0.787 -9.360 1.051 1.00 0.00 N ATOM 999 CA CYS A 64 1.417 -9.287 2.361 1.00 0.00 C ATOM 1000 C CYS A 64 2.791 -8.692 2.178 1.00 0.00 C ATOM 1001 O CYS A 64 3.053 -7.616 2.717 1.00 0.00 O ATOM 1002 CB CYS A 64 1.493 -10.646 3.085 1.00 0.00 C ATOM 1003 SG CYS A 64 3.035 -10.960 4.037 1.00 0.00 S ATOM 0 H CYS A 64 1.332 -8.901 0.321 1.00 0.00 H new ATOM 0 HA CYS A 64 0.801 -8.660 3.005 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.646 -10.721 3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.378 -11.438 2.345 1.00 0.00 H new ATOM 1008 N PRO A 65 3.642 -9.358 1.376 1.00 0.00 N ATOM 1009 CA PRO A 65 5.002 -8.902 1.139 1.00 0.00 C ATOM 1010 C PRO A 65 5.013 -7.737 0.156 1.00 0.00 C ATOM 1011 O PRO A 65 5.818 -6.827 0.296 1.00 0.00 O ATOM 1012 CB PRO A 65 5.766 -10.111 0.580 1.00 0.00 C ATOM 1013 CG PRO A 65 4.704 -11.077 0.103 1.00 0.00 C ATOM 1014 CD PRO A 65 3.383 -10.607 0.672 1.00 0.00 C ATOM 0 HA PRO A 65 5.468 -8.538 2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.423 -9.816 -0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.395 -10.566 1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.667 -11.101 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.928 -12.090 0.437 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.652 -10.457 -0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.968 -11.353 1.350 1.00 0.00 H new ATOM 1022 N ALA A 66 4.101 -7.755 -0.816 1.00 0.00 N ATOM 1023 CA ALA A 66 3.987 -6.700 -1.773 1.00 0.00 C ATOM 1024 C ALA A 66 3.440 -5.487 -1.081 1.00 0.00 C ATOM 1025 O ALA A 66 4.045 -4.456 -1.228 1.00 0.00 O ATOM 1026 CB ALA A 66 3.076 -7.123 -2.905 1.00 0.00 C ATOM 0 H ALA A 66 3.428 -8.511 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 66 4.965 -6.469 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.995 -6.312 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.488 -8.006 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.087 -7.355 -2.509 1.00 0.00 H new ATOM 1032 N ILE A 67 2.358 -5.589 -0.314 1.00 0.00 N ATOM 1033 CA ILE A 67 1.759 -4.470 0.392 1.00 0.00 C ATOM 1034 C ILE A 67 2.846 -3.572 0.960 1.00 0.00 C ATOM 1035 O ILE A 67 2.876 -2.404 0.690 1.00 0.00 O ATOM 1036 CB ILE A 67 0.881 -4.973 1.529 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.349 -5.703 0.956 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.521 -3.816 2.481 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.641 -5.292 1.655 1.00 0.00 C ATOM 0 H ILE A 67 1.867 -6.471 -0.166 1.00 0.00 H new ATOM 0 HA ILE A 67 1.148 -3.904 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 67 1.426 -5.701 2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.431 -5.491 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.210 -6.779 1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.107 -4.192 3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.434 -3.391 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.019 -3.046 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.480 -5.833 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.572 -5.529 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.796 -4.220 1.532 1.00 0.00 H new ATOM 1051 N MET A 68 3.798 -4.075 1.713 1.00 0.00 N ATOM 1052 CA MET A 68 4.897 -3.271 2.225 1.00 0.00 C ATOM 1053 C MET A 68 5.521 -2.386 1.162 1.00 0.00 C ATOM 1054 O MET A 68 5.410 -1.168 1.308 1.00 0.00 O ATOM 1055 CB MET A 68 5.959 -4.201 2.767 1.00 0.00 C ATOM 1056 CG MET A 68 5.427 -5.033 3.927 1.00 0.00 C ATOM 1057 SD MET A 68 6.215 -6.661 3.957 1.00 0.00 S ATOM 1058 CE MET A 68 5.046 -7.524 5.025 1.00 0.00 C ATOM 0 H MET A 68 3.837 -5.056 1.991 1.00 0.00 H new ATOM 0 HA MET A 68 4.497 -2.618 3.001 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.307 -4.861 1.973 1.00 0.00 H new ATOM 0 HB3 MET A 68 6.820 -3.620 3.098 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.613 -4.516 4.868 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.347 -5.147 3.834 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.421 -7.525 6.049 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.081 -7.018 4.992 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.929 -8.551 4.681 1.00 0.00 H new ATOM 1068 N MET A 69 5.975 -3.007 0.060 1.00 0.00 N ATOM 1069 CA MET A 69 6.477 -2.300 -1.096 1.00 0.00 C ATOM 1070 C MET A 69 5.497 -1.296 -1.697 1.00 0.00 C ATOM 1071 O MET A 69 5.898 -0.268 -2.234 1.00 0.00 O ATOM 1072 CB MET A 69 6.880 -3.301 -2.167 1.00 0.00 C ATOM 1073 CG MET A 69 8.260 -3.868 -1.912 1.00 0.00 C ATOM 1074 SD MET A 69 9.512 -2.571 -2.064 1.00 0.00 S ATOM 1075 CE MET A 69 10.930 -3.458 -1.415 1.00 0.00 C ATOM 0 H MET A 69 5.998 -4.022 -0.039 1.00 0.00 H new ATOM 0 HA MET A 69 7.332 -1.722 -0.744 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.153 -4.113 -2.199 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.860 -2.817 -3.143 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.301 -4.307 -0.915 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.468 -4.668 -2.622 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.541 -2.781 -0.818 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.588 -4.284 -0.791 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.524 -3.849 -2.241 1.00 0.00 H new ATOM 1085 N MET A 70 4.206 -1.567 -1.605 1.00 0.00 N ATOM 1086 CA MET A 70 3.175 -0.670 -2.040 1.00 0.00 C ATOM 1087 C MET A 70 3.326 0.706 -1.425 1.00 0.00 C ATOM 1088 O MET A 70 2.990 1.693 -2.061 1.00 0.00 O ATOM 1089 CB MET A 70 1.826 -1.275 -1.688 1.00 0.00 C ATOM 1090 CG MET A 70 1.109 -0.616 -0.516 1.00 0.00 C ATOM 1091 SD MET A 70 -0.242 -1.555 0.199 1.00 0.00 S ATOM 1092 CE MET A 70 -1.148 -0.243 0.985 1.00 0.00 C ATOM 0 H MET A 70 3.848 -2.439 -1.215 1.00 0.00 H new ATOM 0 HA MET A 70 3.254 -0.538 -3.119 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.181 -1.222 -2.565 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.967 -2.332 -1.460 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.841 -0.414 0.266 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.722 0.348 -0.847 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.145 -0.596 1.248 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.624 0.071 1.888 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.231 0.602 0.302 1.00 0.00 H new ATOM 1102 N LEU A 71 3.752 0.756 -0.160 1.00 0.00 N ATOM 1103 CA LEU A 71 3.904 1.990 0.576 1.00 0.00 C ATOM 1104 C LEU A 71 5.380 2.316 0.637 1.00 0.00 C ATOM 1105 O LEU A 71 5.860 2.860 1.623 1.00 0.00 O ATOM 1106 CB LEU A 71 3.229 1.893 1.944 1.00 0.00 C ATOM 1107 CG LEU A 71 1.723 1.689 1.906 1.00 0.00 C ATOM 1108 CD1 LEU A 71 1.130 2.025 3.247 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.025 2.476 0.803 1.00 0.00 C ATOM 0 H LEU A 71 4.001 -0.074 0.378 1.00 0.00 H new ATOM 0 HA LEU A 71 3.399 2.816 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.678 1.067 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.443 2.804 2.503 1.00 0.00 H new ATOM 0 HG LEU A 71 1.556 0.637 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.051 1.877 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.562 1.376 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.347 3.065 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.047 2.280 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.204 3.541 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.418 2.170 -0.167 1.00 0.00 H new ATOM 1121 N ASN A 72 6.127 1.915 -0.379 1.00 0.00 N ATOM 1122 CA ASN A 72 7.537 2.205 -0.505 1.00 0.00 C ATOM 1123 C ASN A 72 7.838 2.884 -1.827 1.00 0.00 C ATOM 1124 O ASN A 72 9.002 3.125 -2.136 1.00 0.00 O ATOM 1125 CB ASN A 72 8.332 0.911 -0.388 1.00 0.00 C ATOM 1126 CG ASN A 72 8.311 0.364 1.017 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.145 -0.805 1.282 1.00 0.00 O ATOM 1128 ND2 ASN A 72 8.650 1.175 1.986 1.00 0.00 N ATOM 0 H ASN A 72 5.756 1.366 -1.155 1.00 0.00 H new ATOM 0 HA ASN A 72 7.826 2.886 0.295 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.921 0.169 -1.073 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.363 1.089 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.767 0.816 2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.797 2.166 1.794 1.00 0.00 H new ATOM 1135 N GLU A 73 6.796 3.135 -2.615 1.00 0.00 N ATOM 1136 CA GLU A 73 6.946 3.767 -3.891 1.00 0.00 C ATOM 1137 C GLU A 73 7.443 5.204 -3.735 1.00 0.00 C ATOM 1138 O GLU A 73 7.568 5.732 -2.617 1.00 0.00 O ATOM 1139 CB GLU A 73 5.617 3.694 -4.663 1.00 0.00 C ATOM 1140 CG GLU A 73 5.781 2.832 -5.931 1.00 0.00 C ATOM 1141 CD GLU A 73 4.953 3.367 -7.103 1.00 0.00 C ATOM 1142 OE1 GLU A 73 3.819 3.828 -6.837 1.00 0.00 O ATOM 1143 OE2 GLU A 73 5.520 3.437 -8.216 1.00 0.00 O ATOM 0 H GLU A 73 5.833 2.901 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 73 7.703 3.236 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.841 3.271 -4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.292 4.698 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.833 2.802 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.480 1.807 -5.713 1.00 0.00 H new ATOM 1150 N PRO A 74 7.668 5.896 -4.862 1.00 0.00 N ATOM 1151 CA PRO A 74 8.085 7.290 -4.873 1.00 0.00 C ATOM 1152 C PRO A 74 6.946 8.242 -4.491 1.00 0.00 C ATOM 1153 O PRO A 74 6.785 9.312 -5.078 1.00 0.00 O ATOM 1154 CB PRO A 74 8.635 7.548 -6.287 1.00 0.00 C ATOM 1155 CG PRO A 74 8.056 6.455 -7.172 1.00 0.00 C ATOM 1156 CD PRO A 74 7.512 5.410 -6.225 1.00 0.00 C ATOM 0 HA PRO A 74 8.849 7.483 -4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.342 8.535 -6.645 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.725 7.517 -6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.269 6.848 -7.816 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.820 6.033 -7.824 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.461 5.215 -6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.044 4.468 -6.354 1.00 0.00 H new ATOM 1164 N MET A 75 6.171 7.873 -3.479 1.00 0.00 N ATOM 1165 CA MET A 75 5.063 8.654 -3.005 1.00 0.00 C ATOM 1166 C MET A 75 4.457 8.010 -1.766 1.00 0.00 C ATOM 1167 O MET A 75 3.251 8.059 -1.570 1.00 0.00 O ATOM 1168 CB MET A 75 4.017 8.741 -4.118 1.00 0.00 C ATOM 1169 CG MET A 75 3.275 10.066 -4.032 1.00 0.00 C ATOM 1170 SD MET A 75 1.480 9.810 -4.101 1.00 0.00 S ATOM 1171 CE MET A 75 1.076 10.983 -5.404 1.00 0.00 C ATOM 0 H MET A 75 6.307 7.004 -2.963 1.00 0.00 H new ATOM 0 HA MET A 75 5.404 9.654 -2.737 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.500 8.648 -5.091 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.312 7.914 -4.032 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.538 10.575 -3.105 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.585 10.715 -4.851 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.002 10.966 -5.588 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.376 11.985 -5.097 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.605 10.709 -6.317 1.00 0.00 H new ATOM 1181 N TRP A 76 5.268 7.347 -0.951 1.00 0.00 N ATOM 1182 CA TRP A 76 4.803 6.710 0.260 1.00 0.00 C ATOM 1183 C TRP A 76 5.907 6.735 1.294 1.00 0.00 C ATOM 1184 O TRP A 76 6.678 5.787 1.426 1.00 0.00 O ATOM 1185 CB TRP A 76 4.314 5.301 -0.057 1.00 0.00 C ATOM 1186 CG TRP A 76 2.939 5.237 -0.643 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.559 4.681 -1.810 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.732 5.809 -0.079 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.203 4.850 -1.987 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.645 5.545 -0.953 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.468 6.504 1.119 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.650 5.956 -0.674 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 0.175 6.930 1.406 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -0.862 6.645 0.521 1.00 0.00 C ATOM 0 H TRP A 76 6.269 7.240 -1.118 1.00 0.00 H new ATOM 0 HA TRP A 76 3.955 7.251 0.680 1.00 0.00 H new ATOM 0 HB2 TRP A 76 5.013 4.836 -0.752 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.333 4.709 0.858 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.218 4.178 -2.502 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.681 4.500 -2.790 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.270 6.706 1.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.463 5.751 -1.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.024 7.481 2.313 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.863 6.968 0.768 1.00 0.00 H new ATOM 1205 N ILE A 77 6.030 7.854 2.011 1.00 0.00 N ATOM 1206 CA ILE A 77 7.132 8.087 2.945 1.00 0.00 C ATOM 1207 C ILE A 77 6.543 8.279 4.312 1.00 0.00 C ATOM 1208 O ILE A 77 5.604 7.607 4.676 1.00 0.00 O ATOM 1209 CB ILE A 77 8.047 9.253 2.531 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.099 9.446 1.014 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.449 9.050 3.133 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.489 8.165 0.275 1.00 0.00 C ATOM 0 H ILE A 77 5.366 8.626 1.960 1.00 0.00 H new ATOM 0 HA ILE A 77 7.791 7.219 2.941 1.00 0.00 H new ATOM 0 HB ILE A 77 7.624 10.175 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.125 9.784 0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.815 10.232 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.095 9.877 2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.377 9.016 4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.870 8.113 2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.511 8.356 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.475 7.840 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.759 7.385 0.489 1.00 0.00 H new ATOM 1224 N ARG A 78 7.040 9.191 5.117 1.00 0.00 N ATOM 1225 CA ARG A 78 6.513 9.479 6.422 1.00 0.00 C ATOM 1226 C ARG A 78 5.034 9.719 6.404 1.00 0.00 C ATOM 1227 O ARG A 78 4.431 9.300 7.364 1.00 0.00 O ATOM 1228 CB ARG A 78 7.125 10.745 6.994 1.00 0.00 C ATOM 1229 CG ARG A 78 8.381 10.411 7.796 1.00 0.00 C ATOM 1230 CD ARG A 78 9.638 10.761 6.999 1.00 0.00 C ATOM 1231 NE ARG A 78 10.839 10.204 7.637 1.00 0.00 N ATOM 1232 CZ ARG A 78 12.075 10.356 7.202 1.00 0.00 C ATOM 1233 NH1 ARG A 78 12.319 11.020 6.102 1.00 0.00 N ATOM 1234 NH2 ARG A 78 13.075 9.811 7.845 1.00 0.00 N ATOM 0 H ARG A 78 7.845 9.767 4.870 1.00 0.00 H new ATOM 0 HA ARG A 78 6.753 8.602 7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.373 11.434 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.401 11.251 7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.375 10.962 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.387 9.350 8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.549 10.374 5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.733 11.844 6.920 1.00 0.00 H new ATOM 0 HE ARG A 78 10.706 9.655 8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.549 11.427 5.571 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.279 11.131 5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.902 9.264 8.688 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.028 9.933 7.503 1.00 0.00 H new ATOM 1248 N MET A 79 4.481 10.255 5.320 1.00 0.00 N ATOM 1249 CA MET A 79 3.059 10.407 5.106 1.00 0.00 C ATOM 1250 C MET A 79 2.317 9.127 5.390 1.00 0.00 C ATOM 1251 O MET A 79 1.201 9.181 5.826 1.00 0.00 O ATOM 1252 CB MET A 79 2.758 10.778 3.658 1.00 0.00 C ATOM 1253 CG MET A 79 3.519 9.884 2.671 1.00 0.00 C ATOM 1254 SD MET A 79 4.371 10.744 1.366 1.00 0.00 S ATOM 1255 CE MET A 79 3.286 10.337 0.006 1.00 0.00 C ATOM 0 H MET A 79 5.039 10.606 4.541 1.00 0.00 H new ATOM 0 HA MET A 79 2.734 11.195 5.785 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.687 10.691 3.476 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.027 11.820 3.486 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.245 9.292 3.228 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.814 9.184 2.223 1.00 0.00 H new ATOM 0 HE1 MET A 79 3.837 10.405 -0.932 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.909 9.322 0.133 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.449 11.035 -0.014 1.00 0.00 H new ATOM 1265 N ARG A 80 2.932 7.959 5.272 1.00 0.00 N ATOM 1266 CA ARG A 80 2.383 6.712 5.674 1.00 0.00 C ATOM 1267 C ARG A 80 1.988 6.736 7.112 1.00 0.00 C ATOM 1268 O ARG A 80 1.270 5.850 7.428 1.00 0.00 O ATOM 1269 CB ARG A 80 3.305 5.551 5.410 1.00 0.00 C ATOM 1270 CG ARG A 80 3.640 5.450 3.926 1.00 0.00 C ATOM 1271 CD ARG A 80 4.899 4.610 3.741 1.00 0.00 C ATOM 1272 NE ARG A 80 6.008 4.965 4.625 1.00 0.00 N ATOM 1273 CZ ARG A 80 7.019 4.229 4.992 1.00 0.00 C ATOM 1274 NH1 ARG A 80 7.134 3.018 4.538 1.00 0.00 N ATOM 1275 NH2 ARG A 80 7.909 4.707 5.825 1.00 0.00 N ATOM 0 H ARG A 80 3.867 7.872 4.874 1.00 0.00 H new ATOM 0 HA ARG A 80 1.494 6.563 5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.222 5.671 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.837 4.626 5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.808 5.000 3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.790 6.446 3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.646 3.562 3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.232 4.703 2.707 1.00 0.00 H new ATOM 0 HE ARG A 80 5.988 5.912 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.434 2.645 3.896 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.924 2.439 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.811 5.656 6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.700 4.131 6.112 1.00 0.00 H new ATOM 1289 N ASP A 81 2.326 7.685 7.952 1.00 0.00 N ATOM 1290 CA ASP A 81 1.996 7.788 9.359 1.00 0.00 C ATOM 1291 C ASP A 81 0.601 7.230 9.640 1.00 0.00 C ATOM 1292 O ASP A 81 0.425 6.260 10.371 1.00 0.00 O ATOM 1293 CB ASP A 81 1.999 9.258 9.766 1.00 0.00 C ATOM 1294 CG ASP A 81 2.240 9.442 11.261 1.00 0.00 C ATOM 1295 OD1 ASP A 81 2.496 8.438 11.959 1.00 0.00 O ATOM 1296 OD2 ASP A 81 2.143 10.605 11.693 1.00 0.00 O ATOM 0 H ASP A 81 2.890 8.477 7.643 1.00 0.00 H new ATOM 0 HA ASP A 81 2.735 7.217 9.922 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.772 9.786 9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.045 9.710 9.495 1.00 0.00 H new ATOM 1301 N GLN A 82 -0.378 7.716 8.866 1.00 0.00 N ATOM 1302 CA GLN A 82 -1.734 7.263 8.976 1.00 0.00 C ATOM 1303 C GLN A 82 -1.940 5.979 8.274 1.00 0.00 C ATOM 1304 O GLN A 82 -2.029 5.002 8.998 1.00 0.00 O ATOM 1305 CB GLN A 82 -2.734 8.274 8.463 1.00 0.00 C ATOM 1306 CG GLN A 82 -3.375 9.029 9.614 1.00 0.00 C ATOM 1307 CD GLN A 82 -2.463 10.104 10.179 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -1.381 9.704 10.804 1.00 0.00 O flip ATOM 1309 NE2 GLN A 82 -2.704 11.287 10.042 1.00 0.00 N flip ATOM 0 H GLN A 82 -0.233 8.432 8.154 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.907 7.124 10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.237 8.976 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.504 7.768 7.880 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.304 9.486 9.273 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.638 8.326 10.405 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.549 11.582 9.554 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.061 11.985 10.415 1.00 0.00 H new ATOM 1318 N VAL A 83 -2.124 5.997 6.947 1.00 0.00 N ATOM 1319 CA VAL A 83 -2.197 4.850 6.070 1.00 0.00 C ATOM 1320 C VAL A 83 -1.476 3.660 6.659 1.00 0.00 C ATOM 1321 O VAL A 83 -2.059 2.620 6.737 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.652 5.124 4.679 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -0.814 6.362 4.614 1.00 0.00 C ATOM 1324 CG2 VAL A 83 -0.888 3.961 4.116 1.00 0.00 C ATOM 0 H VAL A 83 -2.231 6.874 6.438 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.260 4.627 5.973 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.535 5.283 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.454 6.504 3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.413 7.223 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.036 6.262 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.522 4.214 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.043 3.732 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.543 3.092 4.052 1.00 0.00 H new ATOM 1334 N MET A 84 -0.246 3.748 7.106 1.00 0.00 N ATOM 1335 CA MET A 84 0.493 2.738 7.821 1.00 0.00 C ATOM 1336 C MET A 84 -0.380 1.946 8.781 1.00 0.00 C ATOM 1337 O MET A 84 -0.572 0.747 8.582 1.00 0.00 O ATOM 1338 CB MET A 84 1.620 3.375 8.612 1.00 0.00 C ATOM 1339 CG MET A 84 2.351 2.358 9.467 1.00 0.00 C ATOM 1340 SD MET A 84 3.689 3.094 10.429 1.00 0.00 S ATOM 1341 CE MET A 84 2.791 4.525 11.111 1.00 0.00 C ATOM 0 H MET A 84 0.306 4.595 6.968 1.00 0.00 H new ATOM 0 HA MET A 84 0.886 2.053 7.070 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.324 3.847 7.927 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.218 4.163 9.248 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.642 1.881 10.143 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.757 1.575 8.827 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.335 4.921 11.969 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.705 5.298 10.348 1.00 0.00 H new ATOM 0 HE3 MET A 84 1.795 4.213 11.425 1.00 0.00 H new ATOM 1351 N SER A 85 -0.944 2.612 9.790 1.00 0.00 N ATOM 1352 CA SER A 85 -1.895 2.015 10.706 1.00 0.00 C ATOM 1353 C SER A 85 -3.315 1.965 10.126 1.00 0.00 C ATOM 1354 O SER A 85 -4.305 2.070 10.837 1.00 0.00 O ATOM 1355 CB SER A 85 -1.881 2.762 12.029 1.00 0.00 C ATOM 1356 OG SER A 85 -2.480 1.938 13.015 1.00 0.00 O ATOM 0 H SER A 85 -0.745 3.592 9.989 1.00 0.00 H new ATOM 0 HA SER A 85 -1.587 0.983 10.871 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.859 3.011 12.313 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.425 3.702 11.939 1.00 0.00 H new ATOM 0 HG SER A 85 -3.387 1.697 12.733 1.00 0.00 H new ATOM 1362 N MET A 86 -3.444 1.661 8.843 1.00 0.00 N ATOM 1363 CA MET A 86 -4.708 1.575 8.153 1.00 0.00 C ATOM 1364 C MET A 86 -4.669 0.606 6.989 1.00 0.00 C ATOM 1365 O MET A 86 -5.483 -0.294 6.921 1.00 0.00 O ATOM 1366 CB MET A 86 -5.078 2.945 7.632 1.00 0.00 C ATOM 1367 CG MET A 86 -5.807 3.784 8.661 1.00 0.00 C ATOM 1368 SD MET A 86 -7.348 2.968 9.140 1.00 0.00 S ATOM 1369 CE MET A 86 -7.786 4.006 10.545 1.00 0.00 C ATOM 0 H MET A 86 -2.644 1.463 8.242 1.00 0.00 H new ATOM 0 HA MET A 86 -5.446 1.208 8.866 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.174 3.467 7.319 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.706 2.836 6.748 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.175 3.931 9.537 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.020 4.772 8.253 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.722 3.654 10.980 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.996 3.956 11.295 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.905 5.037 10.212 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.650 0.643 6.155 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.398 -0.255 5.076 1.00 0.00 C ATOM 1381 C ALA A 87 -2.822 -1.545 5.624 1.00 0.00 C ATOM 1382 O ALA A 87 -2.423 -2.387 4.855 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.454 0.402 4.073 1.00 0.00 C ATOM 0 H ALA A 87 -2.929 1.361 6.230 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.326 -0.491 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.263 -0.286 3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.911 1.313 3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.514 0.648 4.566 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.699 -1.710 6.933 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.252 -2.934 7.537 1.00 0.00 C ATOM 1391 C HIS A 88 -3.439 -3.740 8.002 1.00 0.00 C ATOM 1392 O HIS A 88 -3.302 -4.924 8.172 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.297 -2.589 8.671 1.00 0.00 C ATOM 1394 CG HIS A 88 -1.939 -2.164 9.971 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -2.886 -1.195 10.158 1.00 0.00 N flip ATOM 1396 CD2 HIS A 88 -1.665 -2.719 11.202 1.00 0.00 C flip ATOM 1397 CE1 HIS A 88 -3.165 -1.124 11.509 1.00 0.00 C flip ATOM 1398 NE2 HIS A 88 -2.398 -2.058 12.127 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.914 -0.977 7.609 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.717 -3.553 6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.668 -3.457 8.866 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.639 -1.788 8.334 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.986 -3.536 11.394 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.863 -0.451 11.985 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.378 -2.234 13.132 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.570 -3.100 8.279 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.790 -3.765 8.671 1.00 0.00 C ATOM 1409 C ASN A 89 -6.792 -3.740 7.544 1.00 0.00 C ATOM 1410 O ASN A 89 -7.650 -4.579 7.524 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.413 -3.048 9.861 1.00 0.00 C ATOM 1412 CG ASN A 89 -5.868 -3.605 11.150 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -4.566 -3.679 11.237 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -6.547 -3.970 12.075 1.00 0.00 N flip ATOM 0 H ASN A 89 -4.658 -2.085 8.234 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.542 -4.795 8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.204 -1.980 9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.497 -3.162 9.837 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.564 -3.915 12.014 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.105 -4.334 12.919 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.688 -2.811 6.603 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.532 -2.762 5.426 1.00 0.00 C ATOM 1423 C LEU A 90 -7.404 -4.043 4.599 1.00 0.00 C ATOM 1424 O LEU A 90 -8.407 -4.661 4.265 1.00 0.00 O ATOM 1425 CB LEU A 90 -7.186 -1.518 4.597 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.949 -0.264 5.020 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.258 0.984 4.458 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.392 -0.344 4.530 1.00 0.00 C ATOM 0 H LEU A 90 -6.001 -2.058 6.641 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.574 -2.692 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.116 -1.325 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.395 -1.723 3.547 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.954 -0.197 6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.808 1.874 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.239 1.039 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.235 0.928 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.930 0.553 4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.403 -0.422 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.875 -1.221 4.962 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.170 -4.466 4.272 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.938 -5.673 3.527 1.00 0.00 C ATOM 1442 C PRO A 91 -6.125 -6.876 4.419 1.00 0.00 C ATOM 1443 O PRO A 91 -6.639 -7.874 3.973 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.509 -5.598 3.008 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.821 -4.576 3.867 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.910 -3.852 4.614 1.00 0.00 C ATOM 0 HA PRO A 91 -6.641 -5.772 2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.015 -6.567 3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.488 -5.306 1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.126 -5.053 4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.240 -3.883 3.258 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.738 -3.909 5.689 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.917 -2.795 4.348 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.749 -6.829 5.677 1.00 0.00 N ATOM 1455 CA ILE A 92 -5.956 -7.939 6.581 1.00 0.00 C ATOM 1456 C ILE A 92 -7.432 -8.218 6.782 1.00 0.00 C ATOM 1457 O ILE A 92 -7.818 -9.376 6.726 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.268 -7.620 7.902 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -3.778 -7.947 7.823 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -5.959 -8.330 9.072 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.195 -8.481 9.119 1.00 0.00 C ATOM 0 H ILE A 92 -5.292 -6.022 6.102 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.523 -8.843 6.153 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.356 -6.550 8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.619 -8.683 7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.234 -7.048 7.535 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.446 -8.083 10.001 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.997 -8.004 9.133 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.926 -9.408 8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.134 -8.689 8.982 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.320 -7.739 9.907 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.712 -9.399 9.399 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.233 -7.179 6.979 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.671 -7.319 7.157 1.00 0.00 C ATOM 1475 C GLU A 93 -10.322 -7.869 5.890 1.00 0.00 C ATOM 1476 O GLU A 93 -11.421 -8.408 5.938 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.311 -5.969 7.506 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.229 -5.692 9.015 1.00 0.00 C ATOM 1479 CD GLU A 93 -11.613 -5.370 9.581 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.232 -4.407 9.068 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.025 -6.072 10.529 1.00 0.00 O ATOM 0 H GLU A 93 -7.903 -6.215 7.020 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.835 -8.017 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.807 -5.172 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.354 -5.964 7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.814 -6.560 9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.552 -4.858 9.201 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.629 -7.748 4.754 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.068 -8.341 3.519 1.00 0.00 C ATOM 1490 C CYS A 94 -9.532 -9.748 3.354 1.00 0.00 C ATOM 1491 O CYS A 94 -9.984 -10.398 2.418 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.658 -7.448 2.352 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.920 -6.198 1.955 1.00 0.00 S ATOM 0 H CYS A 94 -8.751 -7.234 4.680 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.155 -8.421 3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.720 -6.949 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.474 -8.066 1.473 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.570 -10.173 4.188 1.00 0.00 N ATOM 1499 CA ASN A 95 -7.925 -11.475 4.169 1.00 0.00 C ATOM 1500 C ASN A 95 -6.786 -11.447 3.131 1.00 0.00 C ATOM 1501 O ASN A 95 -6.427 -12.425 2.499 1.00 0.00 O ATOM 1502 CB ASN A 95 -8.960 -12.558 3.849 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.568 -13.885 4.433 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.305 -14.481 5.191 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.381 -14.352 4.129 1.00 0.00 N ATOM 0 H ASN A 95 -8.208 -9.576 4.932 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.498 -11.707 5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.933 -12.260 4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.067 -12.652 2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.061 -15.233 4.532 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.778 -13.835 3.490 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.249 -10.293 2.814 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.226 -10.139 1.819 1.00 0.00 C ATOM 1514 C LEU A 96 -3.926 -10.538 2.470 1.00 0.00 C ATOM 1515 O LEU A 96 -3.373 -11.554 2.101 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.226 -8.738 1.239 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.610 -8.202 0.871 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.522 -6.767 0.425 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -7.311 -9.064 -0.159 1.00 0.00 C ATOM 0 H LEU A 96 -6.522 -9.415 3.255 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.400 -10.781 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.768 -8.060 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.598 -8.728 0.348 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.223 -8.243 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.517 -6.404 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.112 -6.160 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.873 -6.696 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.289 -8.639 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.713 -9.102 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.436 -10.073 0.235 1.00 0.00 H new ATOM 1531 N MET A 97 -3.544 -9.835 3.534 1.00 0.00 N ATOM 1532 CA MET A 97 -2.316 -10.087 4.251 1.00 0.00 C ATOM 1533 C MET A 97 -2.545 -10.430 5.688 1.00 0.00 C ATOM 1534 O MET A 97 -1.643 -10.161 6.472 1.00 0.00 O ATOM 1535 CB MET A 97 -1.401 -8.877 4.126 1.00 0.00 C ATOM 1536 CG MET A 97 -1.948 -7.666 4.853 1.00 0.00 C ATOM 1537 SD MET A 97 -0.845 -7.073 6.162 1.00 0.00 S ATOM 1538 CE MET A 97 0.628 -6.791 5.157 1.00 0.00 C ATOM 0 H MET A 97 -4.092 -9.066 3.920 1.00 0.00 H new ATOM 0 HA MET A 97 -1.842 -10.959 3.800 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.418 -9.125 4.526 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.265 -8.635 3.072 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.117 -6.863 4.135 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.917 -7.915 5.286 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.185 -5.944 5.557 1.00 0.00 H new ATOM 0 HE2 MET A 97 1.258 -7.681 5.176 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.332 -6.578 4.130 1.00 0.00 H new ATOM 1548 N SER A 98 -3.746 -10.936 6.009 1.00 0.00 N ATOM 1549 CA SER A 98 -4.143 -11.274 7.373 1.00 0.00 C ATOM 1550 C SER A 98 -2.981 -11.813 8.224 1.00 0.00 C ATOM 1551 O SER A 98 -2.385 -11.178 9.082 1.00 0.00 O ATOM 1552 CB SER A 98 -5.286 -12.276 7.379 1.00 0.00 C ATOM 1553 OG SER A 98 -4.912 -13.483 6.736 1.00 0.00 O ATOM 0 H SER A 98 -4.472 -11.122 5.317 1.00 0.00 H new ATOM 0 HA SER A 98 -4.474 -10.339 7.826 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.584 -12.485 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.153 -11.846 6.877 1.00 0.00 H new ATOM 0 HG SER A 98 -5.664 -14.111 6.755 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.525 -12.999 7.909 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.317 -13.561 8.467 1.00 0.00 C ATOM 1561 C GLN A 99 -0.748 -14.655 7.566 1.00 0.00 C ATOM 1562 O GLN A 99 -0.562 -15.801 7.973 1.00 0.00 O ATOM 1563 CB GLN A 99 -1.711 -14.051 9.852 1.00 0.00 C ATOM 1564 CG GLN A 99 -0.730 -13.512 10.879 1.00 0.00 C ATOM 1565 CD GLN A 99 -1.363 -13.412 12.256 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -2.443 -13.893 12.549 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -0.687 -12.737 13.158 1.00 0.00 N ATOM 0 H GLN A 99 -2.992 -13.615 7.244 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.508 -12.834 8.541 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.722 -13.722 10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.717 -15.141 9.876 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.143 -14.162 10.926 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.379 -12.529 10.567 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.218 -12.332 12.919 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.067 -12.618 14.097 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.511 -14.332 6.286 1.00 0.00 N ATOM 1577 CA PRO A 100 0.025 -15.306 5.348 1.00 0.00 C ATOM 1578 C PRO A 100 1.507 -15.557 5.629 1.00 0.00 C ATOM 1579 O PRO A 100 1.892 -16.677 5.946 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.210 -14.714 3.950 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.454 -13.236 4.171 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.660 -13.036 5.654 1.00 0.00 C ATOM 0 HA PRO A 100 -0.463 -16.277 5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.653 -14.877 3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.065 -15.184 3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.393 -12.649 3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.328 -12.902 3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.067 -12.328 6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.649 -12.622 5.853 1.00 0.00 H new ATOM 1590 N CYS A 101 2.339 -14.532 5.453 1.00 0.00 N ATOM 1591 CA CYS A 101 3.754 -14.649 5.696 1.00 0.00 C ATOM 1592 C CYS A 101 3.976 -14.727 7.199 1.00 0.00 C ATOM 1593 O CYS A 101 3.508 -13.856 7.937 1.00 0.00 O ATOM 1594 CB CYS A 101 4.492 -13.477 5.051 1.00 0.00 C ATOM 1595 SG CYS A 101 3.744 -12.840 3.501 1.00 0.00 S ATOM 0 H CYS A 101 2.042 -13.608 5.140 1.00 0.00 H new ATOM 0 HA CYS A 101 4.156 -15.556 5.244 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.545 -12.661 5.772 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.516 -13.785 4.841 1.00 0.00 H new ATOM 1600 N GLN A 102 4.696 -15.748 7.634 1.00 0.00 N ATOM 1601 CA GLN A 102 5.016 -15.939 9.039 1.00 0.00 C ATOM 1602 C GLN A 102 6.520 -16.048 9.230 1.00 0.00 C ATOM 1603 O GLN A 102 7.282 -15.903 8.269 1.00 0.00 O ATOM 1604 CB GLN A 102 4.294 -17.172 9.581 1.00 0.00 C ATOM 1605 CG GLN A 102 2.776 -17.010 9.454 1.00 0.00 C ATOM 1606 CD GLN A 102 2.043 -17.828 10.496 1.00 0.00 C ATOM 1607 OE1 GLN A 102 2.047 -17.525 11.676 1.00 0.00 O ATOM 1608 NE2 GLN A 102 1.424 -18.910 10.082 1.00 0.00 N ATOM 0 H GLN A 102 5.076 -16.469 7.021 1.00 0.00 H new ATOM 0 HA GLN A 102 4.672 -15.072 9.603 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.617 -18.058 9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.562 -17.326 10.626 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.511 -15.958 9.562 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.458 -17.318 8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.428 -19.152 9.091 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.939 -19.508 10.751 1.00 0.00 H new ATOM 1617 N MET A 103 6.934 -16.225 10.483 1.00 0.00 N ATOM 1618 CA MET A 103 8.334 -16.425 10.836 1.00 0.00 C ATOM 1619 C MET A 103 8.734 -17.911 10.954 1.00 0.00 C ATOM 1620 O MET A 103 7.852 -18.676 11.423 1.00 0.00 O ATOM 1621 CB MET A 103 8.586 -15.667 12.143 1.00 0.00 C ATOM 1622 CG MET A 103 9.841 -14.800 12.038 1.00 0.00 C ATOM 1623 SD MET A 103 11.175 -15.431 13.088 1.00 0.00 S ATOM 1624 CE MET A 103 11.492 -13.958 14.072 1.00 0.00 C ATOM 1625 OXT MET A 103 9.906 -18.186 10.598 1.00 0.00 O ATOM 0 H MET A 103 6.303 -16.233 11.284 1.00 0.00 H new ATOM 0 HA MET A 103 8.961 -16.039 10.033 1.00 0.00 H new ATOM 0 HB2 MET A 103 7.725 -15.041 12.377 1.00 0.00 H new ATOM 0 HB3 MET A 103 8.697 -16.376 12.964 1.00 0.00 H new ATOM 0 HG2 MET A 103 10.177 -14.768 11.001 1.00 0.00 H new ATOM 0 HG3 MET A 103 9.602 -13.776 12.327 1.00 0.00 H new ATOM 0 HE1 MET A 103 12.293 -14.161 14.783 1.00 0.00 H new ATOM 0 HE2 MET A 103 11.787 -13.139 13.416 1.00 0.00 H new ATOM 0 HE3 MET A 103 10.588 -13.681 14.614 1.00 0.00 H new TER 1635 MET A 103