USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 373 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 26 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= -3.83! USER MOD Single : A 5 SER OG : rot 49:sc= 0.665 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0132 (180deg=-0.246) USER MOD Single : A 17 THR OG1 : rot -50:sc= 0.824 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.94) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -50:sc= 0.0406 USER MOD Single : A 31 TYR OH : rot 126:sc= -0.702 USER MOD Single : A 33 ASN : amide:sc= -1.96! C(o=-2!,f=-9.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 44 SER OG : rot 177:sc= -0.729 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 94:sc= 1.11 USER MOD Single : A 51 SER OG : rot 106:sc= -5.72! USER MOD Single : A 52 HIS : no HE2:sc= -4.68! C(o=-4.7!,f=-5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 9.853 6.862 -9.580 1.00 0.00 N ATOM 2 CA ALA A 3 9.549 5.446 -9.227 1.00 0.00 C ATOM 3 C ALA A 3 8.250 5.389 -8.419 1.00 0.00 C ATOM 4 O ALA A 3 8.188 4.784 -7.367 1.00 0.00 O ATOM 5 CB ALA A 3 10.695 4.872 -8.392 1.00 0.00 C ATOM 0 HA ALA A 3 9.435 4.860 -10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.474 3.837 -8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.620 4.913 -8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.809 5.457 -7.480 1.00 0.00 H new ATOM 13 N VAL A 4 7.211 6.010 -8.904 1.00 0.00 N ATOM 14 CA VAL A 4 5.918 5.988 -8.164 1.00 0.00 C ATOM 15 C VAL A 4 4.794 5.587 -9.124 1.00 0.00 C ATOM 16 O VAL A 4 3.942 6.383 -9.465 1.00 0.00 O ATOM 17 CB VAL A 4 5.632 7.379 -7.598 1.00 0.00 C ATOM 18 CG1 VAL A 4 6.717 7.755 -6.586 1.00 0.00 C ATOM 19 CG2 VAL A 4 5.625 8.399 -8.739 1.00 0.00 C ATOM 0 H VAL A 4 7.201 6.532 -9.780 1.00 0.00 H new ATOM 0 HA VAL A 4 5.976 5.269 -7.347 1.00 0.00 H new ATOM 0 HB VAL A 4 4.661 7.377 -7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.511 8.747 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.724 7.028 -5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.689 7.758 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.421 9.392 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.597 8.399 -9.233 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.852 8.133 -9.460 1.00 0.00 H new ATOM 29 N SER A 5 4.788 4.358 -9.565 1.00 0.00 N ATOM 30 CA SER A 5 3.723 3.907 -10.506 1.00 0.00 C ATOM 31 C SER A 5 2.664 3.110 -9.742 1.00 0.00 C ATOM 32 O SER A 5 2.828 1.936 -9.477 1.00 0.00 O ATOM 33 CB SER A 5 4.344 3.019 -11.583 1.00 0.00 C ATOM 34 OG SER A 5 5.111 1.997 -10.961 1.00 0.00 O ATOM 0 H SER A 5 5.475 3.647 -9.314 1.00 0.00 H new ATOM 0 HA SER A 5 3.257 4.777 -10.969 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.563 2.578 -12.203 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.976 3.614 -12.242 1.00 0.00 H new ATOM 0 HG SER A 5 4.581 1.575 -10.253 1.00 0.00 H new ATOM 40 N VAL A 6 1.577 3.739 -9.392 1.00 0.00 N ATOM 41 CA VAL A 6 0.503 3.022 -8.649 1.00 0.00 C ATOM 42 C VAL A 6 -0.860 3.540 -9.108 1.00 0.00 C ATOM 43 O VAL A 6 -1.041 4.718 -9.341 1.00 0.00 O ATOM 44 CB VAL A 6 0.667 3.275 -7.150 1.00 0.00 C ATOM 45 CG1 VAL A 6 0.697 4.781 -6.889 1.00 0.00 C ATOM 46 CG2 VAL A 6 -0.510 2.653 -6.396 1.00 0.00 C ATOM 0 H VAL A 6 1.385 4.721 -9.589 1.00 0.00 H new ATOM 0 HA VAL A 6 0.572 1.952 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 6 1.599 2.826 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.814 4.963 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.534 5.227 -7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.235 5.229 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.394 2.833 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.441 3.103 -6.740 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.535 1.579 -6.582 1.00 0.00 H new ATOM 56 N ASP A 7 -1.823 2.669 -9.242 1.00 0.00 N ATOM 57 CA ASP A 7 -3.171 3.116 -9.689 1.00 0.00 C ATOM 58 C ASP A 7 -4.244 2.292 -8.977 1.00 0.00 C ATOM 59 O ASP A 7 -4.246 1.078 -9.028 1.00 0.00 O ATOM 60 CB ASP A 7 -3.295 2.916 -11.200 1.00 0.00 C ATOM 61 CG ASP A 7 -2.616 1.604 -11.598 1.00 0.00 C ATOM 62 OD1 ASP A 7 -3.082 0.564 -11.166 1.00 0.00 O ATOM 63 OD2 ASP A 7 -1.640 1.664 -12.328 1.00 0.00 O ATOM 0 H ASP A 7 -1.734 1.669 -9.061 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.304 4.171 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.346 2.897 -11.490 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.834 3.751 -11.727 1.00 0.00 H new ATOM 68 N CYS A 8 -5.161 2.943 -8.315 1.00 0.00 N ATOM 69 CA CYS A 8 -6.238 2.198 -7.605 1.00 0.00 C ATOM 70 C CYS A 8 -7.594 2.802 -7.980 1.00 0.00 C ATOM 71 O CYS A 8 -8.486 2.893 -7.163 1.00 0.00 O ATOM 72 CB CYS A 8 -6.035 2.300 -6.089 1.00 0.00 C ATOM 73 SG CYS A 8 -4.266 2.362 -5.701 1.00 0.00 S ATOM 0 H CYS A 8 -5.211 3.959 -8.235 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.205 1.148 -7.897 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.531 3.193 -5.707 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.494 1.444 -5.594 1.00 0.00 H new ATOM 78 N SER A 9 -7.747 3.216 -9.210 1.00 0.00 N ATOM 79 CA SER A 9 -9.036 3.818 -9.655 1.00 0.00 C ATOM 80 C SER A 9 -10.192 2.927 -9.211 1.00 0.00 C ATOM 81 O SER A 9 -10.613 2.032 -9.918 1.00 0.00 O ATOM 82 CB SER A 9 -9.044 3.943 -11.179 1.00 0.00 C ATOM 83 OG SER A 9 -10.094 4.818 -11.574 1.00 0.00 O ATOM 0 H SER A 9 -7.027 3.162 -9.931 1.00 0.00 H new ATOM 0 HA SER A 9 -9.147 4.807 -9.211 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.085 4.326 -11.529 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.181 2.963 -11.635 1.00 0.00 H new ATOM 0 HG SER A 9 -10.101 4.901 -12.550 1.00 0.00 H new ATOM 89 N GLU A 10 -10.702 3.163 -8.038 1.00 0.00 N ATOM 90 CA GLU A 10 -11.828 2.333 -7.530 1.00 0.00 C ATOM 91 C GLU A 10 -11.343 0.895 -7.341 1.00 0.00 C ATOM 92 O GLU A 10 -11.785 -0.014 -8.016 1.00 0.00 O ATOM 93 CB GLU A 10 -12.978 2.357 -8.543 1.00 0.00 C ATOM 94 CG GLU A 10 -14.018 3.393 -8.114 1.00 0.00 C ATOM 95 CD GLU A 10 -15.396 2.732 -8.032 1.00 0.00 C ATOM 96 OE1 GLU A 10 -15.448 1.551 -7.727 1.00 0.00 O ATOM 97 OE2 GLU A 10 -16.375 3.419 -8.274 1.00 0.00 O ATOM 0 H GLU A 10 -10.387 3.898 -7.405 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.179 2.731 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.597 2.599 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.438 1.371 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.748 3.815 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.041 4.217 -8.827 1.00 0.00 H new ATOM 104 N TYR A 11 -10.428 0.680 -6.434 1.00 0.00 N ATOM 105 CA TYR A 11 -9.911 -0.701 -6.216 1.00 0.00 C ATOM 106 C TYR A 11 -9.618 -0.924 -4.728 1.00 0.00 C ATOM 107 O TYR A 11 -8.479 -1.111 -4.346 1.00 0.00 O ATOM 108 CB TYR A 11 -8.627 -0.895 -7.021 1.00 0.00 C ATOM 109 CG TYR A 11 -8.214 -2.345 -6.968 1.00 0.00 C ATOM 110 CD1 TYR A 11 -8.871 -3.290 -7.764 1.00 0.00 C ATOM 111 CD2 TYR A 11 -7.171 -2.744 -6.124 1.00 0.00 C ATOM 112 CE1 TYR A 11 -8.487 -4.636 -7.715 1.00 0.00 C ATOM 113 CE2 TYR A 11 -6.786 -4.089 -6.075 1.00 0.00 C ATOM 114 CZ TYR A 11 -7.444 -5.035 -6.871 1.00 0.00 C ATOM 115 OH TYR A 11 -7.064 -6.361 -6.824 1.00 0.00 O ATOM 0 H TYR A 11 -10.018 1.398 -5.837 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.663 -1.419 -6.543 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.784 -0.588 -8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.834 -0.265 -6.618 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -9.674 -2.981 -8.416 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.663 -2.014 -5.511 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.995 -5.366 -8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.982 -4.397 -5.423 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.325 -6.467 -6.189 1.00 0.00 H new ATOM 125 N PRO A 12 -10.658 -0.914 -3.937 1.00 0.00 N ATOM 126 CA PRO A 12 -10.551 -1.130 -2.485 1.00 0.00 C ATOM 127 C PRO A 12 -10.332 -2.616 -2.194 1.00 0.00 C ATOM 128 O PRO A 12 -11.079 -3.464 -2.642 1.00 0.00 O ATOM 129 CB PRO A 12 -11.903 -0.653 -1.946 1.00 0.00 C ATOM 130 CG PRO A 12 -12.891 -0.717 -3.134 1.00 0.00 C ATOM 131 CD PRO A 12 -12.036 -0.685 -4.415 1.00 0.00 C ATOM 0 HA PRO A 12 -9.715 -0.602 -2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.240 -1.287 -1.126 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.830 0.362 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.491 -1.626 -3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.584 0.124 -3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.346 -1.456 -5.120 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.125 0.272 -4.929 1.00 0.00 H new ATOM 139 N LYS A 13 -9.307 -2.940 -1.456 1.00 0.00 N ATOM 140 CA LYS A 13 -9.037 -4.369 -1.147 1.00 0.00 C ATOM 141 C LYS A 13 -7.946 -4.462 -0.083 1.00 0.00 C ATOM 142 O LYS A 13 -6.770 -4.376 -0.374 1.00 0.00 O ATOM 143 CB LYS A 13 -8.576 -5.082 -2.417 1.00 0.00 C ATOM 144 CG LYS A 13 -9.625 -6.113 -2.826 1.00 0.00 C ATOM 145 CD LYS A 13 -9.645 -6.250 -4.350 1.00 0.00 C ATOM 146 CE LYS A 13 -10.608 -7.369 -4.752 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.007 -8.690 -4.410 1.00 0.00 N ATOM 0 H LYS A 13 -8.645 -2.276 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.946 -4.841 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.427 -4.360 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.617 -5.570 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.401 -7.076 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.608 -5.809 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.954 -5.309 -4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.643 -6.469 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.560 -7.246 -4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.816 -7.318 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.505 -9.442 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.002 -8.694 -4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.094 -8.857 -3.387 1.00 0.00 H new ATOM 161 N CYS A 14 -8.327 -4.635 1.151 1.00 0.00 N ATOM 162 CA CYS A 14 -7.315 -4.731 2.238 1.00 0.00 C ATOM 163 C CYS A 14 -7.281 -6.163 2.774 1.00 0.00 C ATOM 164 O CYS A 14 -7.257 -6.390 3.968 1.00 0.00 O ATOM 165 CB CYS A 14 -7.693 -3.769 3.363 1.00 0.00 C ATOM 166 SG CYS A 14 -8.268 -2.211 2.643 1.00 0.00 S ATOM 0 H CYS A 14 -9.298 -4.714 1.454 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.331 -4.468 1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.474 -4.206 3.985 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.834 -3.590 4.009 1.00 0.00 H new ATOM 171 N ALA A 15 -7.277 -7.131 1.900 1.00 0.00 N ATOM 172 CA ALA A 15 -7.244 -8.549 2.355 1.00 0.00 C ATOM 173 C ALA A 15 -6.435 -9.385 1.358 1.00 0.00 C ATOM 174 O ALA A 15 -6.913 -10.369 0.828 1.00 0.00 O ATOM 175 CB ALA A 15 -8.674 -9.089 2.435 1.00 0.00 C ATOM 0 H ALA A 15 -7.295 -7.001 0.889 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.778 -8.607 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.653 -10.127 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.249 -8.492 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.140 -9.033 1.451 1.00 0.00 H new ATOM 181 N CYS A 16 -5.214 -9.000 1.100 1.00 0.00 N ATOM 182 CA CYS A 16 -4.374 -9.770 0.138 1.00 0.00 C ATOM 183 C CYS A 16 -3.121 -10.286 0.850 1.00 0.00 C ATOM 184 O CYS A 16 -2.635 -9.683 1.788 1.00 0.00 O ATOM 185 CB CYS A 16 -3.953 -8.862 -1.020 1.00 0.00 C ATOM 186 SG CYS A 16 -5.421 -8.299 -1.912 1.00 0.00 S ATOM 0 H CYS A 16 -4.762 -8.185 1.514 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.951 -10.611 -0.247 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.395 -8.006 -0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.289 -9.401 -1.696 1.00 0.00 H new ATOM 191 N THR A 17 -2.593 -11.396 0.412 1.00 0.00 N ATOM 192 CA THR A 17 -1.371 -11.950 1.060 1.00 0.00 C ATOM 193 C THR A 17 -0.684 -12.928 0.105 1.00 0.00 C ATOM 194 O THR A 17 0.011 -13.834 0.522 1.00 0.00 O ATOM 195 CB THR A 17 -1.765 -12.684 2.344 1.00 0.00 C ATOM 196 OG1 THR A 17 -0.593 -13.113 3.022 1.00 0.00 O ATOM 197 CG2 THR A 17 -2.628 -13.896 1.994 1.00 0.00 C ATOM 0 H THR A 17 -2.956 -11.944 -0.368 1.00 0.00 H new ATOM 0 HA THR A 17 -0.686 -11.136 1.300 1.00 0.00 H new ATOM 0 HB THR A 17 -2.331 -12.012 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.008 -13.588 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.909 -14.419 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.527 -13.565 1.475 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.064 -14.570 1.349 1.00 0.00 H new ATOM 205 N MET A 18 -0.874 -12.757 -1.175 1.00 0.00 N ATOM 206 CA MET A 18 -0.234 -13.681 -2.152 1.00 0.00 C ATOM 207 C MET A 18 0.935 -12.974 -2.835 1.00 0.00 C ATOM 208 O MET A 18 2.067 -13.410 -2.766 1.00 0.00 O ATOM 209 CB MET A 18 -1.263 -14.104 -3.202 1.00 0.00 C ATOM 210 CG MET A 18 -2.626 -14.301 -2.533 1.00 0.00 C ATOM 211 SD MET A 18 -3.913 -14.404 -3.801 1.00 0.00 S ATOM 212 CE MET A 18 -5.053 -13.209 -3.062 1.00 0.00 C ATOM 0 H MET A 18 -1.444 -12.018 -1.585 1.00 0.00 H new ATOM 0 HA MET A 18 0.135 -14.564 -1.630 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.335 -13.346 -3.982 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.946 -15.028 -3.685 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.620 -15.210 -1.932 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.834 -13.472 -1.856 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.938 -13.113 -3.692 1.00 0.00 H new ATOM 0 HE2 MET A 18 -5.349 -13.553 -2.071 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.560 -12.240 -2.978 1.00 0.00 H new ATOM 222 N GLU A 19 0.667 -11.884 -3.494 1.00 0.00 N ATOM 223 CA GLU A 19 1.760 -11.143 -4.181 1.00 0.00 C ATOM 224 C GLU A 19 2.776 -10.661 -3.144 1.00 0.00 C ATOM 225 O GLU A 19 2.422 -10.292 -2.041 1.00 0.00 O ATOM 226 CB GLU A 19 1.173 -9.938 -4.920 1.00 0.00 C ATOM 227 CG GLU A 19 2.077 -9.569 -6.096 1.00 0.00 C ATOM 228 CD GLU A 19 1.524 -10.192 -7.379 1.00 0.00 C ATOM 229 OE1 GLU A 19 1.475 -11.409 -7.449 1.00 0.00 O ATOM 230 OE2 GLU A 19 1.157 -9.442 -8.268 1.00 0.00 O ATOM 0 H GLU A 19 -0.262 -11.473 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 19 2.254 -11.801 -4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.170 -10.171 -5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.080 -9.091 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.133 -8.485 -6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.091 -9.924 -5.914 1.00 0.00 H new ATOM 237 N TYR A 20 4.037 -10.661 -3.482 1.00 0.00 N ATOM 238 CA TYR A 20 5.067 -10.203 -2.507 1.00 0.00 C ATOM 239 C TYR A 20 5.616 -8.844 -2.938 1.00 0.00 C ATOM 240 O TYR A 20 6.246 -8.714 -3.968 1.00 0.00 O ATOM 241 CB TYR A 20 6.215 -11.209 -2.453 1.00 0.00 C ATOM 242 CG TYR A 20 6.863 -11.160 -1.091 1.00 0.00 C ATOM 243 CD1 TYR A 20 7.652 -10.061 -0.730 1.00 0.00 C ATOM 244 CD2 TYR A 20 6.678 -12.213 -0.187 1.00 0.00 C ATOM 245 CE1 TYR A 20 8.255 -10.015 0.533 1.00 0.00 C ATOM 246 CE2 TYR A 20 7.280 -12.167 1.075 1.00 0.00 C ATOM 247 CZ TYR A 20 8.069 -11.068 1.435 1.00 0.00 C ATOM 248 OH TYR A 20 8.663 -11.024 2.680 1.00 0.00 O ATOM 0 H TYR A 20 4.398 -10.958 -4.389 1.00 0.00 H new ATOM 0 HA TYR A 20 4.608 -10.119 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.842 -12.213 -2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.949 -10.981 -3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.796 -9.248 -1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.070 -13.062 -0.464 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.863 -9.167 0.811 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.136 -12.980 1.772 1.00 0.00 H new ATOM 0 HH TYR A 20 8.431 -11.833 3.182 1.00 0.00 H new ATOM 258 N ARG A 21 5.385 -7.835 -2.152 1.00 0.00 N ATOM 259 CA ARG A 21 5.891 -6.478 -2.503 1.00 0.00 C ATOM 260 C ARG A 21 5.823 -5.573 -1.269 1.00 0.00 C ATOM 261 O ARG A 21 4.842 -4.886 -1.060 1.00 0.00 O ATOM 262 CB ARG A 21 5.026 -5.880 -3.616 1.00 0.00 C ATOM 263 CG ARG A 21 5.867 -5.710 -4.883 1.00 0.00 C ATOM 264 CD ARG A 21 5.137 -6.342 -6.068 1.00 0.00 C ATOM 265 NE ARG A 21 5.249 -7.825 -5.983 1.00 0.00 N ATOM 266 CZ ARG A 21 6.079 -8.459 -6.765 1.00 0.00 C ATOM 267 NH1 ARG A 21 7.327 -8.086 -6.829 1.00 0.00 N ATOM 268 NH2 ARG A 21 5.661 -9.468 -7.479 1.00 0.00 N ATOM 0 H ARG A 21 4.865 -7.889 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 21 6.923 -6.555 -2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.174 -6.529 -3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.625 -4.917 -3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.046 -4.652 -5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.842 -6.179 -4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.088 -6.044 -6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.566 -5.987 -7.005 1.00 0.00 H new ATOM 0 HE ARG A 21 4.678 -8.343 -5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.654 -7.299 -6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.977 -8.581 -7.440 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.685 -9.761 -7.426 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.310 -9.964 -8.090 1.00 0.00 H new ATOM 282 N PRO A 22 6.872 -5.601 -0.488 1.00 0.00 N ATOM 283 CA PRO A 22 6.969 -4.790 0.738 1.00 0.00 C ATOM 284 C PRO A 22 7.294 -3.335 0.382 1.00 0.00 C ATOM 285 O PRO A 22 8.440 -2.969 0.214 1.00 0.00 O ATOM 286 CB PRO A 22 8.124 -5.439 1.506 1.00 0.00 C ATOM 287 CG PRO A 22 8.974 -6.196 0.458 1.00 0.00 C ATOM 288 CD PRO A 22 8.058 -6.441 -0.756 1.00 0.00 C ATOM 0 HA PRO A 22 6.045 -4.764 1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.721 -4.685 2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.749 -6.122 2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.848 -5.611 0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.340 -7.139 0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.546 -6.156 -1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.789 -7.493 -0.846 1.00 0.00 H new ATOM 296 N LEU A 23 6.295 -2.502 0.260 1.00 0.00 N ATOM 297 CA LEU A 23 6.559 -1.077 -0.093 1.00 0.00 C ATOM 298 C LEU A 23 6.567 -0.219 1.169 1.00 0.00 C ATOM 299 O LEU A 23 5.676 -0.298 1.992 1.00 0.00 O ATOM 300 CB LEU A 23 5.461 -0.556 -1.030 1.00 0.00 C ATOM 301 CG LEU A 23 5.122 -1.617 -2.081 1.00 0.00 C ATOM 302 CD1 LEU A 23 4.245 -0.992 -3.168 1.00 0.00 C ATOM 303 CD2 LEU A 23 6.407 -2.156 -2.714 1.00 0.00 C ATOM 0 H LEU A 23 5.313 -2.745 0.389 1.00 0.00 H new ATOM 0 HA LEU A 23 7.528 -1.018 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.570 -0.304 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.793 0.359 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 23 4.588 -2.437 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.002 -1.745 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.325 -0.615 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.782 -0.170 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.156 -2.910 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.948 -1.339 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.033 -2.604 -1.942 1.00 0.00 H new ATOM 315 N CYS A 24 7.552 0.623 1.317 1.00 0.00 N ATOM 316 CA CYS A 24 7.590 1.505 2.511 1.00 0.00 C ATOM 317 C CYS A 24 6.832 2.782 2.163 1.00 0.00 C ATOM 318 O CYS A 24 7.413 3.759 1.747 1.00 0.00 O ATOM 319 CB CYS A 24 9.040 1.847 2.861 1.00 0.00 C ATOM 320 SG CYS A 24 9.685 0.620 4.023 1.00 0.00 S ATOM 0 H CYS A 24 8.328 0.736 0.665 1.00 0.00 H new ATOM 0 HA CYS A 24 7.137 1.007 3.368 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.649 1.863 1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.094 2.843 3.300 1.00 0.00 H new ATOM 325 N GLY A 25 5.531 2.764 2.297 1.00 0.00 N ATOM 326 CA GLY A 25 4.716 3.963 1.946 1.00 0.00 C ATOM 327 C GLY A 25 5.328 5.225 2.554 1.00 0.00 C ATOM 328 O GLY A 25 5.986 5.182 3.575 1.00 0.00 O ATOM 0 H GLY A 25 4.996 1.965 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.658 4.066 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.696 3.835 2.309 1.00 0.00 H new ATOM 332 N SER A 26 5.099 6.351 1.925 1.00 0.00 N ATOM 333 CA SER A 26 5.644 7.644 2.440 1.00 0.00 C ATOM 334 C SER A 26 5.283 7.818 3.920 1.00 0.00 C ATOM 335 O SER A 26 5.881 8.611 4.620 1.00 0.00 O ATOM 336 CB SER A 26 5.047 8.798 1.634 1.00 0.00 C ATOM 337 OG SER A 26 5.798 9.980 1.877 1.00 0.00 O ATOM 0 H SER A 26 4.552 6.430 1.068 1.00 0.00 H new ATOM 0 HA SER A 26 6.729 7.641 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.059 8.558 0.571 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.005 8.952 1.915 1.00 0.00 H new ATOM 0 HG SER A 26 5.642 10.622 1.153 1.00 0.00 H new ATOM 343 N ASP A 27 4.315 7.088 4.405 1.00 0.00 N ATOM 344 CA ASP A 27 3.926 7.218 5.839 1.00 0.00 C ATOM 345 C ASP A 27 4.798 6.297 6.696 1.00 0.00 C ATOM 346 O ASP A 27 4.426 5.908 7.785 1.00 0.00 O ATOM 347 CB ASP A 27 2.458 6.826 6.003 1.00 0.00 C ATOM 348 CG ASP A 27 2.256 5.389 5.522 1.00 0.00 C ATOM 349 OD1 ASP A 27 3.230 4.783 5.107 1.00 0.00 O ATOM 350 OD2 ASP A 27 1.131 4.921 5.575 1.00 0.00 O ATOM 0 H ASP A 27 3.776 6.407 3.870 1.00 0.00 H new ATOM 0 HA ASP A 27 4.068 8.250 6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.161 6.916 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.824 7.504 5.432 1.00 0.00 H new ATOM 355 N ASN A 28 5.957 5.944 6.212 1.00 0.00 N ATOM 356 CA ASN A 28 6.855 5.048 6.993 1.00 0.00 C ATOM 357 C ASN A 28 6.125 3.742 7.303 1.00 0.00 C ATOM 358 O ASN A 28 6.297 3.156 8.354 1.00 0.00 O ATOM 359 CB ASN A 28 7.251 5.734 8.302 1.00 0.00 C ATOM 360 CG ASN A 28 8.357 4.928 8.989 1.00 0.00 C ATOM 361 OD1 ASN A 28 8.116 4.266 9.980 1.00 0.00 O ATOM 362 ND2 ASN A 28 9.568 4.952 8.500 1.00 0.00 N ATOM 0 H ASN A 28 6.322 6.239 5.306 1.00 0.00 H new ATOM 0 HA ASN A 28 7.751 4.835 6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.596 6.748 8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.385 5.815 8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.310 4.416 8.949 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.771 5.507 7.669 1.00 0.00 H new ATOM 369 N LYS A 29 5.310 3.278 6.395 1.00 0.00 N ATOM 370 CA LYS A 29 4.571 2.007 6.643 1.00 0.00 C ATOM 371 C LYS A 29 5.018 0.953 5.632 1.00 0.00 C ATOM 372 O LYS A 29 5.428 1.267 4.537 1.00 0.00 O ATOM 373 CB LYS A 29 3.067 2.252 6.499 1.00 0.00 C ATOM 374 CG LYS A 29 2.316 1.431 7.549 1.00 0.00 C ATOM 375 CD LYS A 29 0.927 1.070 7.021 1.00 0.00 C ATOM 376 CE LYS A 29 0.393 -0.151 7.773 1.00 0.00 C ATOM 377 NZ LYS A 29 -0.820 0.234 8.548 1.00 0.00 N ATOM 0 H LYS A 29 5.124 3.722 5.496 1.00 0.00 H new ATOM 0 HA LYS A 29 4.784 1.654 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.846 3.312 6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.736 1.973 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.874 0.524 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.228 1.999 8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.248 1.913 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.977 0.859 5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.150 -0.947 7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.158 -0.541 8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.183 -0.596 9.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.574 0.980 9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.550 0.587 7.897 1.00 0.00 H new ATOM 391 N THR A 30 4.944 -0.300 5.989 1.00 0.00 N ATOM 392 CA THR A 30 5.367 -1.367 5.039 1.00 0.00 C ATOM 393 C THR A 30 4.152 -2.214 4.656 1.00 0.00 C ATOM 394 O THR A 30 3.604 -2.932 5.466 1.00 0.00 O ATOM 395 CB THR A 30 6.420 -2.261 5.700 1.00 0.00 C ATOM 396 OG1 THR A 30 7.606 -1.510 5.921 1.00 0.00 O ATOM 397 CG2 THR A 30 6.728 -3.448 4.785 1.00 0.00 C ATOM 0 H THR A 30 4.610 -0.630 6.894 1.00 0.00 H new ATOM 0 HA THR A 30 5.792 -0.908 4.147 1.00 0.00 H new ATOM 0 HB THR A 30 6.040 -2.628 6.653 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.865 -1.056 5.092 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.478 -4.085 5.255 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.818 -4.023 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.109 -3.083 3.831 1.00 0.00 H new ATOM 405 N TYR A 31 3.727 -2.133 3.426 1.00 0.00 N ATOM 406 CA TYR A 31 2.552 -2.926 2.992 1.00 0.00 C ATOM 407 C TYR A 31 3.017 -4.294 2.492 1.00 0.00 C ATOM 408 O TYR A 31 4.039 -4.416 1.844 1.00 0.00 O ATOM 409 CB TYR A 31 1.842 -2.174 1.871 1.00 0.00 C ATOM 410 CG TYR A 31 1.313 -0.866 2.407 1.00 0.00 C ATOM 411 CD1 TYR A 31 0.166 -0.850 3.208 1.00 0.00 C ATOM 412 CD2 TYR A 31 1.973 0.331 2.107 1.00 0.00 C ATOM 413 CE1 TYR A 31 -0.323 0.363 3.708 1.00 0.00 C ATOM 414 CE2 TYR A 31 1.486 1.545 2.607 1.00 0.00 C ATOM 415 CZ TYR A 31 0.339 1.561 3.409 1.00 0.00 C ATOM 416 OH TYR A 31 -0.141 2.756 3.904 1.00 0.00 O ATOM 0 H TYR A 31 4.147 -1.549 2.703 1.00 0.00 H new ATOM 0 HA TYR A 31 1.867 -3.071 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.531 -1.991 1.047 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.024 -2.776 1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.343 -1.774 3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.859 0.318 1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.210 0.375 4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.995 2.468 2.374 1.00 0.00 H new ATOM 0 HH TYR A 31 0.574 3.222 4.385 1.00 0.00 H new ATOM 426 N GLY A 32 2.278 -5.325 2.801 1.00 0.00 N ATOM 427 CA GLY A 32 2.675 -6.694 2.363 1.00 0.00 C ATOM 428 C GLY A 32 2.712 -6.772 0.835 1.00 0.00 C ATOM 429 O GLY A 32 3.443 -7.558 0.266 1.00 0.00 O ATOM 0 H GLY A 32 1.413 -5.278 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.654 -6.944 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.970 -7.427 2.755 1.00 0.00 H new ATOM 433 N ASN A 33 1.931 -5.971 0.163 1.00 0.00 N ATOM 434 CA ASN A 33 1.932 -6.019 -1.324 1.00 0.00 C ATOM 435 C ASN A 33 1.181 -4.809 -1.880 1.00 0.00 C ATOM 436 O ASN A 33 0.569 -4.051 -1.155 1.00 0.00 O ATOM 437 CB ASN A 33 1.245 -7.303 -1.794 1.00 0.00 C ATOM 438 CG ASN A 33 -0.047 -7.510 -1.003 1.00 0.00 C ATOM 439 OD1 ASN A 33 -0.823 -6.590 -0.836 1.00 0.00 O ATOM 440 ND2 ASN A 33 -0.312 -8.687 -0.504 1.00 0.00 N ATOM 0 H ASN A 33 1.296 -5.289 0.578 1.00 0.00 H new ATOM 0 HA ASN A 33 2.961 -6.002 -1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.025 -7.241 -2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.910 -8.156 -1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.171 -8.835 0.026 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.340 -9.459 -0.644 1.00 0.00 H new ATOM 447 N LYS A 34 1.233 -4.627 -3.168 1.00 0.00 N ATOM 448 CA LYS A 34 0.538 -3.475 -3.801 1.00 0.00 C ATOM 449 C LYS A 34 -0.966 -3.566 -3.541 1.00 0.00 C ATOM 450 O LYS A 34 -1.696 -2.625 -3.771 1.00 0.00 O ATOM 451 CB LYS A 34 0.800 -3.486 -5.308 1.00 0.00 C ATOM 452 CG LYS A 34 0.697 -2.061 -5.855 1.00 0.00 C ATOM 453 CD LYS A 34 -0.464 -1.976 -6.848 1.00 0.00 C ATOM 454 CE LYS A 34 -0.349 -3.110 -7.866 1.00 0.00 C ATOM 455 NZ LYS A 34 -0.199 -2.538 -9.235 1.00 0.00 N ATOM 0 H LYS A 34 1.733 -5.235 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 34 0.918 -2.548 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.790 -3.895 -5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.079 -4.132 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.542 -1.357 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.629 -1.780 -6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.415 -2.043 -6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.450 -1.013 -7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.508 -3.741 -7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.234 -3.744 -7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.121 -3.310 -9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.030 -1.954 -9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.658 -1.950 -9.274 1.00 0.00 H new ATOM 469 N CYS A 35 -1.443 -4.678 -3.052 1.00 0.00 N ATOM 470 CA CYS A 35 -2.901 -4.780 -2.772 1.00 0.00 C ATOM 471 C CYS A 35 -3.192 -4.006 -1.489 1.00 0.00 C ATOM 472 O CYS A 35 -4.230 -3.391 -1.336 1.00 0.00 O ATOM 473 CB CYS A 35 -3.300 -6.243 -2.589 1.00 0.00 C ATOM 474 SG CYS A 35 -5.074 -6.336 -2.236 1.00 0.00 S ATOM 0 H CYS A 35 -0.893 -5.510 -2.837 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.470 -4.368 -3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.066 -6.812 -3.489 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.731 -6.688 -1.773 1.00 0.00 H new ATOM 479 N ASN A 36 -2.264 -4.019 -0.573 1.00 0.00 N ATOM 480 CA ASN A 36 -2.453 -3.278 0.697 1.00 0.00 C ATOM 481 C ASN A 36 -2.072 -1.816 0.465 1.00 0.00 C ATOM 482 O ASN A 36 -2.526 -0.924 1.153 1.00 0.00 O ATOM 483 CB ASN A 36 -1.549 -3.886 1.770 1.00 0.00 C ATOM 484 CG ASN A 36 -2.347 -4.091 3.057 1.00 0.00 C ATOM 485 OD1 ASN A 36 -2.214 -3.332 3.996 1.00 0.00 O ATOM 486 ND2 ASN A 36 -3.176 -5.095 3.141 1.00 0.00 N ATOM 0 H ASN A 36 -1.377 -4.516 -0.654 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.490 -3.341 1.026 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.147 -4.838 1.424 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.699 -3.230 1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.713 -5.243 3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.287 -5.732 2.352 1.00 0.00 H new ATOM 493 N PHE A 37 -1.243 -1.570 -0.514 1.00 0.00 N ATOM 494 CA PHE A 37 -0.829 -0.173 -0.814 1.00 0.00 C ATOM 495 C PHE A 37 -1.979 0.541 -1.526 1.00 0.00 C ATOM 496 O PHE A 37 -2.284 1.683 -1.246 1.00 0.00 O ATOM 497 CB PHE A 37 0.404 -0.188 -1.723 1.00 0.00 C ATOM 498 CG PHE A 37 0.920 1.225 -1.886 1.00 0.00 C ATOM 499 CD1 PHE A 37 1.770 1.783 -0.921 1.00 0.00 C ATOM 500 CD2 PHE A 37 0.542 1.981 -3.004 1.00 0.00 C ATOM 501 CE1 PHE A 37 2.242 3.095 -1.074 1.00 0.00 C ATOM 502 CE2 PHE A 37 1.012 3.292 -3.156 1.00 0.00 C ATOM 503 CZ PHE A 37 1.862 3.848 -2.193 1.00 0.00 C ATOM 0 H PHE A 37 -0.834 -2.281 -1.120 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.586 0.348 0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.179 -0.824 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.148 -0.609 -2.695 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.062 1.202 -0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.112 1.553 -3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.897 3.524 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.718 3.874 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.225 4.858 -2.312 1.00 0.00 H new ATOM 513 N CYS A 38 -2.626 -0.133 -2.438 1.00 0.00 N ATOM 514 CA CYS A 38 -3.764 0.495 -3.163 1.00 0.00 C ATOM 515 C CYS A 38 -4.953 0.596 -2.209 1.00 0.00 C ATOM 516 O CYS A 38 -5.833 1.415 -2.382 1.00 0.00 O ATOM 517 CB CYS A 38 -4.152 -0.366 -4.370 1.00 0.00 C ATOM 518 SG CYS A 38 -3.634 0.453 -5.903 1.00 0.00 S ATOM 0 H CYS A 38 -2.414 -1.093 -2.712 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.476 1.486 -3.513 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.682 -1.347 -4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.230 -0.529 -4.380 1.00 0.00 H new ATOM 523 N CYS A 39 -4.979 -0.226 -1.193 1.00 0.00 N ATOM 524 CA CYS A 39 -6.103 -0.169 -0.219 1.00 0.00 C ATOM 525 C CYS A 39 -5.896 1.057 0.676 1.00 0.00 C ATOM 526 O CYS A 39 -6.808 1.817 0.931 1.00 0.00 O ATOM 527 CB CYS A 39 -6.127 -1.476 0.610 1.00 0.00 C ATOM 528 SG CYS A 39 -6.572 -1.156 2.345 1.00 0.00 S ATOM 0 H CYS A 39 -4.270 -0.933 -0.998 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.062 -0.079 -0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.842 -2.173 0.172 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.148 -1.954 0.566 1.00 0.00 H new ATOM 533 N ALA A 40 -4.696 1.257 1.143 1.00 0.00 N ATOM 534 CA ALA A 40 -4.425 2.434 2.009 1.00 0.00 C ATOM 535 C ALA A 40 -4.554 3.702 1.169 1.00 0.00 C ATOM 536 O ALA A 40 -4.913 4.754 1.659 1.00 0.00 O ATOM 537 CB ALA A 40 -3.009 2.335 2.579 1.00 0.00 C ATOM 0 H ALA A 40 -3.892 0.656 0.962 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.139 2.462 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.811 3.199 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.917 1.423 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.288 2.313 1.761 1.00 0.00 H new ATOM 543 N VAL A 41 -4.270 3.607 -0.101 1.00 0.00 N ATOM 544 CA VAL A 41 -4.384 4.801 -0.983 1.00 0.00 C ATOM 545 C VAL A 41 -5.863 5.084 -1.247 1.00 0.00 C ATOM 546 O VAL A 41 -6.286 6.222 -1.304 1.00 0.00 O ATOM 547 CB VAL A 41 -3.663 4.533 -2.306 1.00 0.00 C ATOM 548 CG1 VAL A 41 -3.954 5.669 -3.289 1.00 0.00 C ATOM 549 CG2 VAL A 41 -2.155 4.453 -2.055 1.00 0.00 C ATOM 0 H VAL A 41 -3.964 2.752 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.927 5.664 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.015 3.591 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.440 5.476 -4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.028 5.729 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.602 6.612 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.639 4.262 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.806 5.396 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.945 3.644 -1.356 1.00 0.00 H new ATOM 559 N VAL A 42 -6.654 4.059 -1.391 1.00 0.00 N ATOM 560 CA VAL A 42 -8.105 4.272 -1.632 1.00 0.00 C ATOM 561 C VAL A 42 -8.698 4.966 -0.403 1.00 0.00 C ATOM 562 O VAL A 42 -9.627 5.743 -0.502 1.00 0.00 O ATOM 563 CB VAL A 42 -8.792 2.916 -1.872 1.00 0.00 C ATOM 564 CG1 VAL A 42 -10.278 3.001 -1.517 1.00 0.00 C ATOM 565 CG2 VAL A 42 -8.652 2.532 -3.346 1.00 0.00 C ATOM 0 H VAL A 42 -6.358 3.084 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.260 4.894 -2.513 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.317 2.165 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.750 2.034 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.386 3.273 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.758 3.757 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.138 1.572 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.123 3.294 -3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.596 2.456 -3.603 1.00 0.00 H new ATOM 575 N GLU A 43 -8.154 4.702 0.753 1.00 0.00 N ATOM 576 CA GLU A 43 -8.672 5.358 1.984 1.00 0.00 C ATOM 577 C GLU A 43 -8.382 6.856 1.891 1.00 0.00 C ATOM 578 O GLU A 43 -9.191 7.683 2.262 1.00 0.00 O ATOM 579 CB GLU A 43 -7.972 4.771 3.214 1.00 0.00 C ATOM 580 CG GLU A 43 -8.628 3.441 3.591 1.00 0.00 C ATOM 581 CD GLU A 43 -9.656 3.674 4.699 1.00 0.00 C ATOM 582 OE1 GLU A 43 -10.653 4.322 4.428 1.00 0.00 O ATOM 583 OE2 GLU A 43 -9.429 3.198 5.800 1.00 0.00 O ATOM 0 H GLU A 43 -7.374 4.061 0.897 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.745 5.190 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.913 4.619 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.035 5.469 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.112 3.002 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.871 2.732 3.926 1.00 0.00 H new ATOM 590 N SER A 44 -7.232 7.209 1.384 1.00 0.00 N ATOM 591 CA SER A 44 -6.887 8.650 1.248 1.00 0.00 C ATOM 592 C SER A 44 -7.310 9.142 -0.140 1.00 0.00 C ATOM 593 O SER A 44 -7.165 10.302 -0.470 1.00 0.00 O ATOM 594 CB SER A 44 -5.379 8.831 1.424 1.00 0.00 C ATOM 595 OG SER A 44 -5.134 9.645 2.564 1.00 0.00 O ATOM 0 H SER A 44 -6.516 6.559 1.058 1.00 0.00 H new ATOM 0 HA SER A 44 -7.409 9.227 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.896 7.861 1.545 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.950 9.292 0.534 1.00 0.00 H new ATOM 0 HG SER A 44 -4.168 9.722 2.709 1.00 0.00 H new ATOM 601 N ASN A 45 -7.843 8.266 -0.952 1.00 0.00 N ATOM 602 CA ASN A 45 -8.290 8.674 -2.314 1.00 0.00 C ATOM 603 C ASN A 45 -7.079 8.992 -3.195 1.00 0.00 C ATOM 604 O ASN A 45 -7.211 9.559 -4.261 1.00 0.00 O ATOM 605 CB ASN A 45 -9.181 9.910 -2.204 1.00 0.00 C ATOM 606 CG ASN A 45 -10.525 9.627 -2.877 1.00 0.00 C ATOM 607 OD1 ASN A 45 -10.838 10.201 -3.902 1.00 0.00 O ATOM 608 ND2 ASN A 45 -11.338 8.760 -2.340 1.00 0.00 N ATOM 0 H ASN A 45 -7.988 7.282 -0.728 1.00 0.00 H new ATOM 0 HA ASN A 45 -8.849 7.855 -2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.334 10.170 -1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.697 10.764 -2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -12.237 8.563 -2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.075 8.279 -1.480 1.00 0.00 H new ATOM 615 N GLY A 46 -5.902 8.631 -2.766 1.00 0.00 N ATOM 616 CA GLY A 46 -4.693 8.913 -3.591 1.00 0.00 C ATOM 617 C GLY A 46 -3.806 9.928 -2.871 1.00 0.00 C ATOM 618 O GLY A 46 -2.834 10.413 -3.415 1.00 0.00 O ATOM 0 H GLY A 46 -5.724 8.154 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.138 7.992 -3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.988 9.300 -4.566 1.00 0.00 H new ATOM 622 N THR A 47 -4.132 10.253 -1.651 1.00 0.00 N ATOM 623 CA THR A 47 -3.312 11.233 -0.897 1.00 0.00 C ATOM 624 C THR A 47 -2.064 10.536 -0.358 1.00 0.00 C ATOM 625 O THR A 47 -0.980 11.085 -0.374 1.00 0.00 O ATOM 626 CB THR A 47 -4.140 11.779 0.263 1.00 0.00 C ATOM 627 OG1 THR A 47 -5.441 12.109 -0.202 1.00 0.00 O ATOM 628 CG2 THR A 47 -3.465 13.025 0.821 1.00 0.00 C ATOM 0 H THR A 47 -4.935 9.879 -1.145 1.00 0.00 H new ATOM 0 HA THR A 47 -3.012 12.053 -1.550 1.00 0.00 H new ATOM 0 HB THR A 47 -4.216 11.026 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.043 11.349 -0.057 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.054 13.418 1.650 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.466 12.770 1.174 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.391 13.780 0.039 1.00 0.00 H new ATOM 636 N LEU A 48 -2.206 9.329 0.108 1.00 0.00 N ATOM 637 CA LEU A 48 -1.022 8.596 0.636 1.00 0.00 C ATOM 638 C LEU A 48 0.035 8.510 -0.467 1.00 0.00 C ATOM 639 O LEU A 48 -0.281 8.512 -1.641 1.00 0.00 O ATOM 640 CB LEU A 48 -1.441 7.187 1.066 1.00 0.00 C ATOM 641 CG LEU A 48 -0.481 6.668 2.141 1.00 0.00 C ATOM 642 CD1 LEU A 48 -0.396 7.676 3.287 1.00 0.00 C ATOM 643 CD2 LEU A 48 -0.997 5.333 2.679 1.00 0.00 C ATOM 0 H LEU A 48 -3.088 8.818 0.147 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.612 9.121 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.460 7.202 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.436 6.517 0.206 1.00 0.00 H new ATOM 0 HG LEU A 48 0.509 6.532 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.288 7.303 4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.030 8.630 2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.385 7.815 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.316 4.961 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.987 5.474 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.056 4.611 1.865 1.00 0.00 H new ATOM 655 N THR A 49 1.285 8.448 -0.106 1.00 0.00 N ATOM 656 CA THR A 49 2.351 8.378 -1.142 1.00 0.00 C ATOM 657 C THR A 49 3.249 7.161 -0.895 1.00 0.00 C ATOM 658 O THR A 49 2.911 6.268 -0.143 1.00 0.00 O ATOM 659 CB THR A 49 3.180 9.661 -1.089 1.00 0.00 C ATOM 660 OG1 THR A 49 3.304 10.090 0.259 1.00 0.00 O ATOM 661 CG2 THR A 49 2.491 10.752 -1.910 1.00 0.00 C ATOM 0 H THR A 49 1.614 8.443 0.859 1.00 0.00 H new ATOM 0 HA THR A 49 1.896 8.276 -2.127 1.00 0.00 H new ATOM 0 HB THR A 49 4.170 9.469 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.837 10.912 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.084 11.666 -1.871 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.398 10.424 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.500 10.945 -1.500 1.00 0.00 H new ATOM 669 N LEU A 50 4.388 7.123 -1.534 1.00 0.00 N ATOM 670 CA LEU A 50 5.329 5.978 -1.364 1.00 0.00 C ATOM 671 C LEU A 50 6.716 6.533 -1.024 1.00 0.00 C ATOM 672 O LEU A 50 7.099 7.591 -1.484 1.00 0.00 O ATOM 673 CB LEU A 50 5.399 5.191 -2.675 1.00 0.00 C ATOM 674 CG LEU A 50 6.475 4.110 -2.574 1.00 0.00 C ATOM 675 CD1 LEU A 50 5.842 2.801 -2.095 1.00 0.00 C ATOM 676 CD2 LEU A 50 7.106 3.896 -3.950 1.00 0.00 C ATOM 0 H LEU A 50 4.710 7.847 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 50 4.987 5.321 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.432 4.735 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.624 5.864 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 50 7.241 4.423 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.610 2.031 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.388 2.953 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.077 2.486 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.874 3.126 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.338 3.582 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.556 4.828 -4.293 1.00 0.00 H new ATOM 688 N SER A 51 7.471 5.834 -0.225 1.00 0.00 N ATOM 689 CA SER A 51 8.830 6.329 0.142 1.00 0.00 C ATOM 690 C SER A 51 9.884 5.547 -0.637 1.00 0.00 C ATOM 691 O SER A 51 10.826 6.109 -1.162 1.00 0.00 O ATOM 692 CB SER A 51 9.065 6.128 1.640 1.00 0.00 C ATOM 693 OG SER A 51 7.819 5.940 2.293 1.00 0.00 O ATOM 0 H SER A 51 7.208 4.941 0.191 1.00 0.00 H new ATOM 0 HA SER A 51 8.902 7.389 -0.100 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.708 5.264 1.805 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.580 6.993 2.058 1.00 0.00 H new ATOM 0 HG SER A 51 7.718 4.997 2.541 1.00 0.00 H new ATOM 699 N HIS A 52 9.739 4.254 -0.714 1.00 0.00 N ATOM 700 CA HIS A 52 10.736 3.439 -1.455 1.00 0.00 C ATOM 701 C HIS A 52 10.358 1.961 -1.362 1.00 0.00 C ATOM 702 O HIS A 52 10.524 1.329 -0.336 1.00 0.00 O ATOM 703 CB HIS A 52 12.127 3.651 -0.851 1.00 0.00 C ATOM 704 CG HIS A 52 12.106 3.287 0.609 1.00 0.00 C ATOM 705 ND1 HIS A 52 12.421 2.013 1.058 1.00 0.00 N ATOM 706 CD2 HIS A 52 11.822 4.019 1.735 1.00 0.00 C ATOM 707 CE1 HIS A 52 12.318 2.019 2.399 1.00 0.00 C ATOM 708 NE2 HIS A 52 11.955 3.217 2.864 1.00 0.00 N ATOM 0 H HIS A 52 8.972 3.728 -0.295 1.00 0.00 H new ATOM 0 HA HIS A 52 10.747 3.746 -2.501 1.00 0.00 H new ATOM 0 HB2 HIS A 52 12.860 3.040 -1.378 1.00 0.00 H new ATOM 0 HB3 HIS A 52 12.432 4.690 -0.972 1.00 0.00 H new ATOM 0 HD1 HIS A 52 12.683 1.217 0.477 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.538 5.061 1.743 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.506 1.159 3.024 1.00 0.00 H new ATOM 716 N PHE A 53 9.846 1.405 -2.425 1.00 0.00 N ATOM 717 CA PHE A 53 9.460 -0.029 -2.404 1.00 0.00 C ATOM 718 C PHE A 53 10.556 -0.837 -1.706 1.00 0.00 C ATOM 719 O PHE A 53 11.589 -1.121 -2.281 1.00 0.00 O ATOM 720 CB PHE A 53 9.303 -0.539 -3.837 1.00 0.00 C ATOM 721 CG PHE A 53 8.442 0.407 -4.643 1.00 0.00 C ATOM 722 CD1 PHE A 53 7.087 0.565 -4.330 1.00 0.00 C ATOM 723 CD2 PHE A 53 9.000 1.114 -5.714 1.00 0.00 C ATOM 724 CE1 PHE A 53 6.290 1.433 -5.088 1.00 0.00 C ATOM 725 CE2 PHE A 53 8.203 1.979 -6.473 1.00 0.00 C ATOM 726 CZ PHE A 53 6.848 2.139 -6.160 1.00 0.00 C ATOM 0 H PHE A 53 9.679 1.886 -3.309 1.00 0.00 H new ATOM 0 HA PHE A 53 8.517 -0.141 -1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.283 -0.636 -4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.854 -1.532 -3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.656 0.018 -3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 53 10.046 0.992 -5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.245 1.557 -4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.634 2.523 -7.300 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.233 2.807 -6.745 1.00 0.00 H new ATOM 736 N GLY A 54 10.346 -1.211 -0.475 1.00 0.00 N ATOM 737 CA GLY A 54 11.385 -2.000 0.245 1.00 0.00 C ATOM 738 C GLY A 54 10.999 -2.136 1.717 1.00 0.00 C ATOM 739 O GLY A 54 10.170 -1.405 2.224 1.00 0.00 O ATOM 0 H GLY A 54 9.504 -1.006 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.485 -2.987 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.354 -1.509 0.157 1.00 0.00 H new ATOM 743 N LYS A 55 11.595 -3.067 2.411 1.00 0.00 N ATOM 744 CA LYS A 55 11.264 -3.247 3.852 1.00 0.00 C ATOM 745 C LYS A 55 11.837 -2.080 4.654 1.00 0.00 C ATOM 746 O LYS A 55 13.006 -1.761 4.557 1.00 0.00 O ATOM 747 CB LYS A 55 11.864 -4.561 4.357 1.00 0.00 C ATOM 748 CG LYS A 55 13.345 -4.631 3.981 1.00 0.00 C ATOM 749 CD LYS A 55 14.058 -5.627 4.899 1.00 0.00 C ATOM 750 CE LYS A 55 15.366 -6.077 4.247 1.00 0.00 C ATOM 751 NZ LYS A 55 16.519 -5.484 4.982 1.00 0.00 N ATOM 0 H LYS A 55 12.296 -3.710 2.042 1.00 0.00 H new ATOM 0 HA LYS A 55 10.181 -3.276 3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.750 -4.632 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.329 -5.406 3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.453 -4.937 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.801 -3.645 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.261 -5.166 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.417 -6.489 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.435 -7.165 4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.389 -5.767 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.408 -5.790 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.455 -4.446 4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.499 -5.801 5.972 1.00 0.00 H new ATOM 765 N CYS A 56 11.024 -1.436 5.444 1.00 0.00 N ATOM 766 CA CYS A 56 11.518 -0.286 6.249 1.00 0.00 C ATOM 767 C CYS A 56 12.531 -0.782 7.283 1.00 0.00 C ATOM 768 O CYS A 56 13.713 -0.769 6.978 1.00 0.00 O ATOM 769 CB CYS A 56 10.339 0.372 6.965 1.00 0.00 C ATOM 770 SG CYS A 56 9.506 1.508 5.829 1.00 0.00 S ATOM 771 OXT CYS A 56 12.109 -1.164 8.362 1.00 0.00 O ATOM 0 H CYS A 56 10.036 -1.658 5.567 1.00 0.00 H new ATOM 0 HA CYS A 56 11.998 0.439 5.592 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.640 -0.389 7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 56 10.689 0.911 7.845 1.00 0.00 H new TER 776 CYS A 56