USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD Set 1.1: A 22 HIS : no HD1:sc= -2.25 K(o=-5.4,f=-11!) USER MOD Set 1.2: A 69 MET CE :methyl -104:sc= -3.12 (180deg=-1.99!) USER MOD Single : A 1 GLU N :NH3+ 147:sc= -0.218 (180deg=-1.27!) USER MOD Single : A 2 SER OG : rot 39:sc= 0.834 USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0303) USER MOD Single : A 4 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.07) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 35:sc= 0.125 USER MOD Single : A 18 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.037) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 54:sc= 0.494 USER MOD Single : A 23 LYS NZ :NH3+ -103:sc= 1.16 (180deg=-0.104) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 32 TYR OH : rot 36:sc= -1.35 USER MOD Single : A 33 HIS : no HE2:sc= -0.995 K(o=-0.99,f=-1.6) USER MOD Single : A 36 THR OG1 : rot 166:sc= 0.731 USER MOD Single : A 37 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 42 MET CE :methyl 170:sc= 0 (180deg=-0.133) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0375 X(o=-0.038,f=-0.0095) USER MOD Single : A 48 MET CE :methyl 150:sc= -2.11 (180deg=-4.12!) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0121 (180deg=-0.164) USER MOD Single : A 61 HIS : no HD1:sc= -0.336 K(o=-0.34,f=-2.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 42:sc= 0.449 USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= -0.169 (180deg=-0.179) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 14.844 -12.755 6.238 1.00 0.00 N ATOM 2 CA GLU A 1 15.223 -12.948 4.813 1.00 0.00 C ATOM 3 C GLU A 1 14.599 -11.873 3.927 1.00 0.00 C ATOM 4 O GLU A 1 13.813 -11.051 4.395 1.00 0.00 O ATOM 5 CB GLU A 1 14.758 -14.336 4.366 1.00 0.00 C ATOM 6 CG GLU A 1 13.290 -14.608 4.652 1.00 0.00 C ATOM 7 CD GLU A 1 12.954 -16.086 4.617 1.00 0.00 C ATOM 8 OE1 GLU A 1 13.012 -16.683 3.523 1.00 0.00 O ATOM 9 OE2 GLU A 1 12.633 -16.647 5.687 1.00 0.00 O ATOM 0 H1 GLU A 1 14.767 -13.681 6.705 1.00 0.00 H new ATOM 0 H2 GLU A 1 15.570 -12.185 6.716 1.00 0.00 H new ATOM 0 H3 GLU A 1 13.929 -12.264 6.290 1.00 0.00 H new ATOM 0 HA GLU A 1 16.306 -12.866 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 1 14.937 -14.443 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 1 15.363 -15.091 4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 1 13.033 -14.204 5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 1 12.677 -14.082 3.920 1.00 0.00 H new ATOM 18 N SER A 2 14.956 -11.888 2.649 1.00 0.00 N ATOM 19 CA SER A 2 14.430 -10.916 1.698 1.00 0.00 C ATOM 20 C SER A 2 13.864 -11.610 0.464 1.00 0.00 C ATOM 21 O SER A 2 14.605 -11.987 -0.444 1.00 0.00 O ATOM 22 CB SER A 2 15.528 -9.933 1.283 1.00 0.00 C ATOM 23 OG SER A 2 16.620 -10.611 0.683 1.00 0.00 O ATOM 0 H SER A 2 15.607 -12.562 2.247 1.00 0.00 H new ATOM 0 HA SER A 2 13.624 -10.369 2.186 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.121 -9.202 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.875 -9.380 2.156 1.00 0.00 H new ATOM 0 HG SER A 2 16.283 -11.337 0.117 1.00 0.00 H new ATOM 29 N LYS A 3 12.545 -11.777 0.439 1.00 0.00 N ATOM 30 CA LYS A 3 11.878 -12.427 -0.683 1.00 0.00 C ATOM 31 C LYS A 3 10.855 -11.494 -1.322 1.00 0.00 C ATOM 32 O LYS A 3 10.103 -10.812 -0.627 1.00 0.00 O ATOM 33 CB LYS A 3 11.193 -13.714 -0.221 1.00 0.00 C ATOM 34 CG LYS A 3 10.073 -13.481 0.782 1.00 0.00 C ATOM 35 CD LYS A 3 10.371 -14.139 2.120 1.00 0.00 C ATOM 36 CE LYS A 3 9.277 -13.858 3.135 1.00 0.00 C ATOM 37 NZ LYS A 3 8.004 -14.548 2.787 1.00 0.00 N ATOM 0 H LYS A 3 11.918 -11.471 1.183 1.00 0.00 H new ATOM 0 HA LYS A 3 12.634 -12.674 -1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.789 -14.233 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.938 -14.372 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.931 -12.410 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.139 -13.875 0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.473 -15.215 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.325 -13.774 2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.607 -14.181 4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.103 -12.784 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.315 -14.414 3.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.622 -14.149 1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.184 -15.564 2.657 1.00 0.00 H new ATOM 51 N LYS A 4 10.834 -11.468 -2.651 1.00 0.00 N ATOM 52 CA LYS A 4 9.903 -10.618 -3.384 1.00 0.00 C ATOM 53 C LYS A 4 9.364 -11.340 -4.616 1.00 0.00 C ATOM 54 O LYS A 4 10.021 -12.223 -5.167 1.00 0.00 O ATOM 55 CB LYS A 4 10.588 -9.313 -3.797 1.00 0.00 C ATOM 56 CG LYS A 4 9.854 -8.067 -3.333 1.00 0.00 C ATOM 57 CD LYS A 4 10.219 -7.703 -1.902 1.00 0.00 C ATOM 58 CE LYS A 4 11.700 -7.389 -1.767 1.00 0.00 C ATOM 59 NZ LYS A 4 12.397 -8.364 -0.884 1.00 0.00 N ATOM 0 H LYS A 4 11.451 -12.026 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 4 9.065 -10.385 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.600 -9.300 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.678 -9.288 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.095 -7.234 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.779 -8.229 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.633 -6.841 -1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.959 -8.528 -1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.164 -7.397 -2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.823 -6.383 -1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.370 -8.040 -0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.889 -8.438 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.420 -9.296 -1.346 1.00 0.00 H new ATOM 73 N GLU A 5 8.165 -10.959 -5.043 1.00 0.00 N ATOM 74 CA GLU A 5 7.540 -11.571 -6.209 1.00 0.00 C ATOM 75 C GLU A 5 8.265 -11.164 -7.492 1.00 0.00 C ATOM 76 O GLU A 5 8.633 -10.003 -7.663 1.00 0.00 O ATOM 77 CB GLU A 5 6.067 -11.168 -6.295 1.00 0.00 C ATOM 78 CG GLU A 5 5.835 -9.673 -6.160 1.00 0.00 C ATOM 79 CD GLU A 5 5.394 -9.275 -4.766 1.00 0.00 C ATOM 80 OE1 GLU A 5 4.181 -9.354 -4.481 1.00 0.00 O ATOM 81 OE2 GLU A 5 6.263 -8.881 -3.957 1.00 0.00 O ATOM 0 H GLU A 5 7.607 -10.230 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 5 7.608 -12.653 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.662 -11.505 -7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.512 -11.685 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.753 -9.142 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.078 -9.360 -6.880 1.00 0.00 H new ATOM 88 N PRO A 6 8.480 -12.120 -8.415 1.00 0.00 N ATOM 89 CA PRO A 6 9.163 -11.850 -9.684 1.00 0.00 C ATOM 90 C PRO A 6 8.277 -11.102 -10.672 1.00 0.00 C ATOM 91 O PRO A 6 7.162 -10.701 -10.342 1.00 0.00 O ATOM 92 CB PRO A 6 9.489 -13.247 -10.208 1.00 0.00 C ATOM 93 CG PRO A 6 8.420 -14.118 -9.642 1.00 0.00 C ATOM 94 CD PRO A 6 8.074 -13.535 -8.298 1.00 0.00 C ATOM 0 HA PRO A 6 10.037 -11.213 -9.552 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.486 -13.273 -11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.478 -13.571 -9.884 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.547 -14.138 -10.295 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.767 -15.146 -9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.010 -13.630 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.608 -14.040 -7.493 1.00 0.00 H new ATOM 102 N GLU A 7 8.781 -10.920 -11.889 1.00 0.00 N ATOM 103 CA GLU A 7 8.034 -10.220 -12.929 1.00 0.00 C ATOM 104 C GLU A 7 7.724 -8.788 -12.510 1.00 0.00 C ATOM 105 O GLU A 7 6.636 -8.501 -12.009 1.00 0.00 O ATOM 106 CB GLU A 7 6.736 -10.968 -13.242 1.00 0.00 C ATOM 107 CG GLU A 7 6.949 -12.418 -13.642 1.00 0.00 C ATOM 108 CD GLU A 7 7.157 -12.587 -15.135 1.00 0.00 C ATOM 109 OE1 GLU A 7 6.620 -11.765 -15.905 1.00 0.00 O ATOM 110 OE2 GLU A 7 7.858 -13.541 -15.532 1.00 0.00 O ATOM 0 H GLU A 7 9.703 -11.247 -12.179 1.00 0.00 H new ATOM 0 HA GLU A 7 8.652 -10.187 -13.826 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.087 -10.933 -12.367 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.214 -10.451 -14.047 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.815 -12.814 -13.111 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.087 -13.007 -13.330 1.00 0.00 H new ATOM 117 N PHE A 8 8.683 -7.894 -12.718 1.00 0.00 N ATOM 118 CA PHE A 8 8.511 -6.490 -12.364 1.00 0.00 C ATOM 119 C PHE A 8 8.233 -6.334 -10.869 1.00 0.00 C ATOM 120 O PHE A 8 7.087 -6.151 -10.459 1.00 0.00 O ATOM 121 CB PHE A 8 7.368 -5.874 -13.173 1.00 0.00 C ATOM 122 CG PHE A 8 7.520 -4.397 -13.398 1.00 0.00 C ATOM 123 CD1 PHE A 8 7.047 -3.488 -12.466 1.00 0.00 C ATOM 124 CD2 PHE A 8 8.136 -3.918 -14.544 1.00 0.00 C ATOM 125 CE1 PHE A 8 7.184 -2.129 -12.671 1.00 0.00 C ATOM 126 CE2 PHE A 8 8.278 -2.559 -14.755 1.00 0.00 C ATOM 127 CZ PHE A 8 7.801 -1.664 -13.815 1.00 0.00 C ATOM 0 H PHE A 8 9.589 -8.116 -13.131 1.00 0.00 H new ATOM 0 HA PHE A 8 9.438 -5.967 -12.600 1.00 0.00 H new ATOM 0 HB2 PHE A 8 7.306 -6.376 -14.139 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.427 -6.060 -12.656 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.565 -3.846 -11.568 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.509 -4.614 -15.280 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.809 -1.431 -11.937 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.760 -2.198 -15.651 1.00 0.00 H new ATOM 0 HZ PHE A 8 7.911 -0.602 -13.976 1.00 0.00 H new ATOM 137 N PRO A 9 9.284 -6.405 -10.034 1.00 0.00 N ATOM 138 CA PRO A 9 9.146 -6.271 -8.581 1.00 0.00 C ATOM 139 C PRO A 9 8.833 -4.838 -8.160 1.00 0.00 C ATOM 140 O PRO A 9 8.790 -3.932 -8.991 1.00 0.00 O ATOM 141 CB PRO A 9 10.520 -6.694 -8.056 1.00 0.00 C ATOM 142 CG PRO A 9 11.459 -6.390 -9.171 1.00 0.00 C ATOM 143 CD PRO A 9 10.686 -6.622 -10.441 1.00 0.00 C ATOM 0 HA PRO A 9 8.322 -6.869 -8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.786 -6.144 -7.153 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.538 -7.754 -7.801 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.813 -5.361 -9.113 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.338 -7.033 -9.127 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.988 -5.930 -11.227 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.841 -7.630 -10.827 1.00 0.00 H new ATOM 151 N VAL A 10 8.616 -4.643 -6.863 1.00 0.00 N ATOM 152 CA VAL A 10 8.307 -3.321 -6.331 1.00 0.00 C ATOM 153 C VAL A 10 8.987 -3.096 -4.985 1.00 0.00 C ATOM 154 O VAL A 10 8.603 -3.689 -3.977 1.00 0.00 O ATOM 155 CB VAL A 10 6.789 -3.121 -6.166 1.00 0.00 C ATOM 156 CG1 VAL A 10 6.476 -1.677 -5.802 1.00 0.00 C ATOM 157 CG2 VAL A 10 6.055 -3.531 -7.434 1.00 0.00 C ATOM 0 H VAL A 10 8.648 -5.383 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 10 8.685 -2.596 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 10 6.444 -3.759 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.399 -1.555 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.970 -1.423 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.835 -1.017 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.984 -3.383 -7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.403 -2.922 -8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.252 -4.582 -7.645 1.00 0.00 H new ATOM 167 N GLU A 11 10.000 -2.236 -4.977 1.00 0.00 N ATOM 168 CA GLU A 11 10.736 -1.932 -3.755 1.00 0.00 C ATOM 169 C GLU A 11 10.196 -0.662 -3.097 1.00 0.00 C ATOM 170 O GLU A 11 10.434 0.444 -3.582 1.00 0.00 O ATOM 171 CB GLU A 11 12.225 -1.767 -4.060 1.00 0.00 C ATOM 172 CG GLU A 11 12.506 -0.891 -5.271 1.00 0.00 C ATOM 173 CD GLU A 11 13.895 -0.285 -5.242 1.00 0.00 C ATOM 174 OE1 GLU A 11 14.342 0.127 -4.150 1.00 0.00 O ATOM 175 OE2 GLU A 11 14.537 -0.222 -6.310 1.00 0.00 O ATOM 0 H GLU A 11 10.330 -1.737 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 11 10.604 -2.764 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.720 -1.338 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.665 -2.751 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.391 -1.484 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.766 -0.092 -5.317 1.00 0.00 H new ATOM 182 N PRO A 12 9.461 -0.800 -1.978 1.00 0.00 N ATOM 183 CA PRO A 12 8.894 0.350 -1.264 1.00 0.00 C ATOM 184 C PRO A 12 9.969 1.217 -0.616 1.00 0.00 C ATOM 185 O PRO A 12 11.158 1.056 -0.893 1.00 0.00 O ATOM 186 CB PRO A 12 8.007 -0.292 -0.194 1.00 0.00 C ATOM 187 CG PRO A 12 8.582 -1.649 0.013 1.00 0.00 C ATOM 188 CD PRO A 12 9.123 -2.077 -1.322 1.00 0.00 C ATOM 0 HA PRO A 12 8.355 1.019 -1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.019 0.287 0.729 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.969 -0.348 -0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.371 -1.628 0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.822 -2.345 0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.998 -2.718 -1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.385 -2.639 -1.893 1.00 0.00 H new ATOM 196 N VAL A 13 9.543 2.133 0.248 1.00 0.00 N ATOM 197 CA VAL A 13 10.471 3.023 0.934 1.00 0.00 C ATOM 198 C VAL A 13 11.052 2.361 2.178 1.00 0.00 C ATOM 199 O VAL A 13 10.334 2.083 3.139 1.00 0.00 O ATOM 200 CB VAL A 13 9.787 4.342 1.341 1.00 0.00 C ATOM 201 CG1 VAL A 13 10.810 5.334 1.869 1.00 0.00 C ATOM 202 CG2 VAL A 13 9.018 4.930 0.168 1.00 0.00 C ATOM 0 H VAL A 13 8.563 2.278 0.489 1.00 0.00 H new ATOM 0 HA VAL A 13 11.276 3.240 0.232 1.00 0.00 H new ATOM 0 HB VAL A 13 9.077 4.129 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.308 6.259 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.310 4.912 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.547 5.543 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.542 5.861 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.705 5.128 -0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.255 4.223 -0.158 1.00 0.00 H new ATOM 212 N GLY A 14 12.357 2.112 2.155 1.00 0.00 N ATOM 213 CA GLY A 14 13.013 1.484 3.288 1.00 0.00 C ATOM 214 C GLY A 14 13.029 -0.027 3.187 1.00 0.00 C ATOM 215 O GLY A 14 12.001 -0.649 2.914 1.00 0.00 O ATOM 0 H GLY A 14 12.972 2.334 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.037 1.851 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.505 1.778 4.206 1.00 0.00 H new ATOM 219 N GLU A 15 14.196 -0.622 3.408 1.00 0.00 N ATOM 220 CA GLU A 15 14.342 -2.071 3.341 1.00 0.00 C ATOM 221 C GLU A 15 13.448 -2.757 4.369 1.00 0.00 C ATOM 222 O GLU A 15 12.852 -3.797 4.094 1.00 0.00 O ATOM 223 CB GLU A 15 15.801 -2.470 3.571 1.00 0.00 C ATOM 224 CG GLU A 15 16.423 -1.822 4.798 1.00 0.00 C ATOM 225 CD GLU A 15 16.684 -2.817 5.915 1.00 0.00 C ATOM 226 OE1 GLU A 15 15.943 -3.819 6.001 1.00 0.00 O ATOM 227 OE2 GLU A 15 17.628 -2.592 6.700 1.00 0.00 O ATOM 0 H GLU A 15 15.056 -0.122 3.635 1.00 0.00 H new ATOM 0 HA GLU A 15 14.036 -2.395 2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.861 -3.554 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.386 -2.200 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.361 -1.344 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.762 -1.036 5.164 1.00 0.00 H new ATOM 234 N LYS A 16 13.356 -2.162 5.554 1.00 0.00 N ATOM 235 CA LYS A 16 12.533 -2.714 6.625 1.00 0.00 C ATOM 236 C LYS A 16 11.199 -1.983 6.714 1.00 0.00 C ATOM 237 O LYS A 16 11.155 -0.752 6.746 1.00 0.00 O ATOM 238 CB LYS A 16 13.270 -2.621 7.963 1.00 0.00 C ATOM 239 CG LYS A 16 13.634 -1.199 8.358 1.00 0.00 C ATOM 240 CD LYS A 16 14.274 -1.149 9.736 1.00 0.00 C ATOM 241 CE LYS A 16 15.788 -1.042 9.646 1.00 0.00 C ATOM 242 NZ LYS A 16 16.455 -2.349 9.897 1.00 0.00 N ATOM 0 H LYS A 16 13.841 -1.298 5.797 1.00 0.00 H new ATOM 0 HA LYS A 16 12.339 -3.762 6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.647 -3.058 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.180 -3.219 7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.320 -0.780 7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.739 -0.577 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.881 -0.297 10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.005 -2.045 10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.068 -0.676 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.143 -0.309 10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.486 -2.232 9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.209 -2.687 10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.136 -3.043 9.191 1.00 0.00 H new ATOM 256 N SER A 17 10.111 -2.745 6.750 1.00 0.00 N ATOM 257 CA SER A 17 8.775 -2.166 6.833 1.00 0.00 C ATOM 258 C SER A 17 7.801 -3.129 7.504 1.00 0.00 C ATOM 259 O SER A 17 7.670 -4.283 7.094 1.00 0.00 O ATOM 260 CB SER A 17 8.269 -1.800 5.438 1.00 0.00 C ATOM 261 OG SER A 17 8.544 -0.443 5.135 1.00 0.00 O ATOM 0 H SER A 17 10.128 -3.765 6.723 1.00 0.00 H new ATOM 0 HA SER A 17 8.836 -1.262 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.741 -2.444 4.696 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.195 -1.979 5.379 1.00 0.00 H new ATOM 0 HG SER A 17 9.397 -0.184 5.541 1.00 0.00 H new ATOM 267 N ASN A 18 7.118 -2.646 8.537 1.00 0.00 N ATOM 268 CA ASN A 18 6.151 -3.460 9.265 1.00 0.00 C ATOM 269 C ASN A 18 4.977 -3.835 8.368 1.00 0.00 C ATOM 270 O ASN A 18 4.887 -3.383 7.227 1.00 0.00 O ATOM 271 CB ASN A 18 5.648 -2.711 10.502 1.00 0.00 C ATOM 272 CG ASN A 18 6.211 -3.279 11.790 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.500 -3.412 12.785 1.00 0.00 O ATOM 274 ND2 ASN A 18 7.496 -3.618 11.777 1.00 0.00 N ATOM 0 H ASN A 18 7.217 -1.694 8.889 1.00 0.00 H new ATOM 0 HA ASN A 18 6.649 -4.375 9.584 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.921 -1.659 10.422 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.559 -2.756 10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.930 -4.006 12.615 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.049 -3.490 10.929 1.00 0.00 H new ATOM 281 N TYR A 19 4.080 -4.670 8.884 1.00 0.00 N ATOM 282 CA TYR A 19 2.916 -5.100 8.117 1.00 0.00 C ATOM 283 C TYR A 19 1.631 -4.922 8.921 1.00 0.00 C ATOM 284 O TYR A 19 1.471 -5.501 9.995 1.00 0.00 O ATOM 285 CB TYR A 19 3.053 -6.567 7.684 1.00 0.00 C ATOM 286 CG TYR A 19 4.477 -7.085 7.683 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.171 -7.268 8.872 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.122 -7.395 6.493 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.469 -7.743 8.875 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.420 -7.870 6.487 1.00 0.00 C ATOM 291 CZ TYR A 19 7.089 -8.042 7.680 1.00 0.00 C ATOM 292 OH TYR A 19 8.381 -8.515 7.679 1.00 0.00 O ATOM 0 H TYR A 19 4.136 -5.060 9.825 1.00 0.00 H new ATOM 0 HA TYR A 19 2.864 -4.472 7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.453 -7.188 8.349 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.637 -6.679 6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.688 -7.035 9.810 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.601 -7.263 5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.995 -7.879 9.808 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.908 -8.105 5.552 1.00 0.00 H new ATOM 0 HH TYR A 19 8.669 -8.677 6.757 1.00 0.00 H new ATOM 302 N ILE A 20 0.716 -4.121 8.386 1.00 0.00 N ATOM 303 CA ILE A 20 -0.560 -3.866 9.038 1.00 0.00 C ATOM 304 C ILE A 20 -1.493 -5.064 8.880 1.00 0.00 C ATOM 305 O ILE A 20 -2.022 -5.313 7.795 1.00 0.00 O ATOM 306 CB ILE A 20 -1.242 -2.609 8.455 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.380 -1.371 8.717 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.637 -2.426 9.038 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.454 -0.953 7.527 1.00 0.00 C ATOM 0 H ILE A 20 0.837 -3.635 7.497 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.359 -3.700 10.096 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.344 -2.742 7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.027 -0.543 9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.280 -1.570 9.561 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.096 -1.534 8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.248 -3.297 8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.567 -2.316 10.120 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.039 -0.070 7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.126 -1.765 7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.201 -0.722 6.687 1.00 0.00 H new ATOM 321 N CYS A 21 -1.687 -5.801 9.968 1.00 0.00 N ATOM 322 CA CYS A 21 -2.552 -6.973 9.954 1.00 0.00 C ATOM 323 C CYS A 21 -4.019 -6.572 10.069 1.00 0.00 C ATOM 324 O CYS A 21 -4.387 -5.761 10.919 1.00 0.00 O ATOM 325 CB CYS A 21 -2.181 -7.921 11.097 1.00 0.00 C ATOM 326 SG CYS A 21 -2.652 -9.643 10.810 1.00 0.00 S ATOM 0 H CYS A 21 -1.256 -5.606 10.872 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.408 -7.485 9.003 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.104 -7.872 11.260 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.658 -7.573 12.013 1.00 0.00 H new ATOM 0 HG CYS A 21 -2.165 -10.042 9.673 1.00 0.00 H new ATOM 332 N HIS A 22 -4.851 -7.147 9.208 1.00 0.00 N ATOM 333 CA HIS A 22 -6.278 -6.855 9.210 1.00 0.00 C ATOM 334 C HIS A 22 -7.071 -8.059 8.708 1.00 0.00 C ATOM 335 O HIS A 22 -6.531 -9.157 8.580 1.00 0.00 O ATOM 336 CB HIS A 22 -6.570 -5.627 8.340 1.00 0.00 C ATOM 337 CG HIS A 22 -7.656 -4.752 8.885 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.196 -3.696 8.179 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.304 -4.779 10.074 1.00 0.00 C ATOM 340 CE1 HIS A 22 -9.128 -3.112 8.911 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.214 -3.750 10.065 1.00 0.00 N ATOM 0 H HIS A 22 -4.560 -7.820 8.498 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.586 -6.641 10.233 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.658 -5.039 8.238 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.849 -5.959 7.340 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.136 -5.479 10.879 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.719 -2.258 8.616 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.852 -3.516 10.825 1.00 0.00 H new ATOM 350 N LYS A 23 -8.354 -7.847 8.427 1.00 0.00 N ATOM 351 CA LYS A 23 -9.222 -8.916 7.938 1.00 0.00 C ATOM 352 C LYS A 23 -8.617 -9.599 6.716 1.00 0.00 C ATOM 353 O LYS A 23 -8.853 -9.184 5.584 1.00 0.00 O ATOM 354 CB LYS A 23 -10.596 -8.354 7.579 1.00 0.00 C ATOM 355 CG LYS A 23 -10.527 -7.053 6.798 1.00 0.00 C ATOM 356 CD LYS A 23 -11.674 -6.932 5.807 1.00 0.00 C ATOM 357 CE LYS A 23 -13.024 -6.964 6.505 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.783 -5.698 6.301 1.00 0.00 N ATOM 0 H LYS A 23 -8.817 -6.944 8.530 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.325 -9.654 8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.141 -9.093 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.165 -8.191 8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.553 -6.211 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.578 -6.998 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.575 -6.002 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.618 -7.746 5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.609 -7.803 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.878 -7.132 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.727 -5.117 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.374 -5.173 5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.778 -5.919 6.096 1.00 0.00 H new ATOM 372 N GLY A 24 -7.837 -10.648 6.952 1.00 0.00 N ATOM 373 CA GLY A 24 -7.214 -11.364 5.853 1.00 0.00 C ATOM 374 C GLY A 24 -6.315 -10.482 5.014 1.00 0.00 C ATOM 375 O GLY A 24 -5.931 -10.861 3.909 1.00 0.00 O ATOM 0 H GLY A 24 -7.625 -11.015 7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.632 -12.195 6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.990 -11.793 5.218 1.00 0.00 H new ATOM 379 N HIS A 25 -5.976 -9.301 5.529 1.00 0.00 N ATOM 380 CA HIS A 25 -5.122 -8.378 4.797 1.00 0.00 C ATOM 381 C HIS A 25 -3.898 -7.961 5.603 1.00 0.00 C ATOM 382 O HIS A 25 -3.982 -7.697 6.803 1.00 0.00 O ATOM 383 CB HIS A 25 -5.918 -7.140 4.367 1.00 0.00 C ATOM 384 CG HIS A 25 -5.978 -6.992 2.882 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.874 -6.196 2.198 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.230 -7.604 1.943 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.639 -6.358 0.885 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.648 -7.205 0.692 1.00 0.00 N ATOM 0 H HIS A 25 -6.279 -8.966 6.444 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.765 -8.904 3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.931 -7.206 4.764 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.463 -6.250 4.801 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.585 -5.594 2.613 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.427 -8.299 2.140 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.187 -5.863 0.097 1.00 0.00 H new ATOM 396 N GLU A 26 -2.758 -7.893 4.918 1.00 0.00 N ATOM 397 CA GLU A 26 -1.501 -7.494 5.538 1.00 0.00 C ATOM 398 C GLU A 26 -0.881 -6.336 4.762 1.00 0.00 C ATOM 399 O GLU A 26 0.055 -6.524 3.986 1.00 0.00 O ATOM 400 CB GLU A 26 -0.530 -8.678 5.588 1.00 0.00 C ATOM 401 CG GLU A 26 0.280 -8.746 6.873 1.00 0.00 C ATOM 402 CD GLU A 26 -0.047 -9.972 7.705 1.00 0.00 C ATOM 403 OE1 GLU A 26 -1.248 -10.260 7.893 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.898 -10.643 8.169 1.00 0.00 O ATOM 0 H GLU A 26 -2.682 -8.112 3.925 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.702 -7.168 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.093 -9.604 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.153 -8.613 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.342 -8.750 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.092 -7.850 7.464 1.00 0.00 H new ATOM 411 N PHE A 27 -1.424 -5.143 4.971 1.00 0.00 N ATOM 412 CA PHE A 27 -0.943 -3.948 4.286 1.00 0.00 C ATOM 413 C PHE A 27 0.455 -3.569 4.751 1.00 0.00 C ATOM 414 O PHE A 27 0.907 -4.001 5.808 1.00 0.00 O ATOM 415 CB PHE A 27 -1.906 -2.778 4.497 1.00 0.00 C ATOM 416 CG PHE A 27 -3.357 -3.166 4.430 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.015 -3.219 3.210 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.062 -3.475 5.580 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.349 -3.573 3.143 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.396 -3.830 5.519 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.040 -3.879 4.298 1.00 0.00 C ATOM 0 H PHE A 27 -2.200 -4.976 5.611 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.896 -4.175 3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.705 -2.325 5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.708 -2.016 3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.479 -2.981 2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.563 -3.438 6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.851 -3.610 2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.934 -4.069 6.424 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.083 -4.156 4.247 1.00 0.00 H new ATOM 431 N ILE A 28 1.140 -2.773 3.941 1.00 0.00 N ATOM 432 CA ILE A 28 2.496 -2.346 4.257 1.00 0.00 C ATOM 433 C ILE A 28 2.641 -0.835 4.114 1.00 0.00 C ATOM 434 O ILE A 28 2.201 -0.253 3.123 1.00 0.00 O ATOM 435 CB ILE A 28 3.523 -3.036 3.342 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.157 -4.514 3.147 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.926 -2.892 3.918 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.542 -5.400 4.311 1.00 0.00 C ATOM 0 H ILE A 28 0.778 -2.410 3.059 1.00 0.00 H new ATOM 0 HA ILE A 28 2.689 -2.631 5.291 1.00 0.00 H new ATOM 0 HB ILE A 28 3.506 -2.551 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.082 -4.593 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.645 -4.883 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.642 -3.385 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.178 -1.835 4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.963 -3.353 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.251 -6.428 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.620 -5.353 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.033 -5.058 5.212 1.00 0.00 H new ATOM 450 N PRO A 29 3.267 -0.178 5.103 1.00 0.00 N ATOM 451 CA PRO A 29 3.467 1.271 5.079 1.00 0.00 C ATOM 452 C PRO A 29 4.459 1.705 4.014 1.00 0.00 C ATOM 453 O PRO A 29 5.648 1.394 4.092 1.00 0.00 O ATOM 454 CB PRO A 29 4.017 1.579 6.470 1.00 0.00 C ATOM 455 CG PRO A 29 4.649 0.309 6.923 1.00 0.00 C ATOM 456 CD PRO A 29 3.830 -0.795 6.318 1.00 0.00 C ATOM 0 HA PRO A 29 2.544 1.800 4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.743 2.391 6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.223 1.889 7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.687 0.250 6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.654 0.241 8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.442 -1.665 6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.047 -1.132 6.997 1.00 0.00 H new ATOM 464 N THR A 30 3.966 2.430 3.020 1.00 0.00 N ATOM 465 CA THR A 30 4.814 2.911 1.941 1.00 0.00 C ATOM 466 C THR A 30 4.240 4.182 1.324 1.00 0.00 C ATOM 467 O THR A 30 3.085 4.533 1.563 1.00 0.00 O ATOM 468 CB THR A 30 4.970 1.833 0.868 1.00 0.00 C ATOM 469 OG1 THR A 30 5.861 2.259 -0.146 1.00 0.00 O ATOM 470 CG2 THR A 30 3.662 1.459 0.204 1.00 0.00 C ATOM 0 H THR A 30 2.985 2.697 2.939 1.00 0.00 H new ATOM 0 HA THR A 30 5.794 3.142 2.358 1.00 0.00 H new ATOM 0 HB THR A 30 5.358 0.958 1.390 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.948 1.555 -0.822 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.842 0.690 -0.547 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.969 1.079 0.954 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.232 2.339 -0.274 1.00 0.00 H new ATOM 478 N LEU A 31 5.053 4.866 0.526 1.00 0.00 N ATOM 479 CA LEU A 31 4.624 6.095 -0.130 1.00 0.00 C ATOM 480 C LEU A 31 4.502 5.893 -1.636 1.00 0.00 C ATOM 481 O LEU A 31 5.115 4.986 -2.201 1.00 0.00 O ATOM 482 CB LEU A 31 5.612 7.227 0.167 1.00 0.00 C ATOM 483 CG LEU A 31 5.752 7.594 1.645 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.667 8.798 1.811 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.387 7.872 2.256 1.00 0.00 C ATOM 0 H LEU A 31 6.013 4.590 0.318 1.00 0.00 H new ATOM 0 HA LEU A 31 3.644 6.365 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.592 6.942 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.300 8.114 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 31 6.198 6.749 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.755 9.045 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.653 8.564 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.249 9.649 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.505 8.132 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.914 8.701 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.762 6.983 2.170 1.00 0.00 H new ATOM 497 N TYR A 32 3.705 6.738 -2.280 1.00 0.00 N ATOM 498 CA TYR A 32 3.501 6.645 -3.721 1.00 0.00 C ATOM 499 C TYR A 32 3.507 8.028 -4.365 1.00 0.00 C ATOM 500 O TYR A 32 2.567 8.805 -4.200 1.00 0.00 O ATOM 501 CB TYR A 32 2.184 5.932 -4.026 1.00 0.00 C ATOM 502 CG TYR A 32 2.256 4.431 -3.856 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.705 3.617 -4.889 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.877 3.828 -2.663 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.774 2.245 -4.738 1.00 0.00 C ATOM 506 CE2 TYR A 32 1.944 2.457 -2.504 1.00 0.00 C ATOM 507 CZ TYR A 32 2.393 1.671 -3.544 1.00 0.00 C ATOM 508 OH TYR A 32 2.460 0.305 -3.389 1.00 0.00 O ATOM 0 H TYR A 32 3.190 7.494 -1.828 1.00 0.00 H new ATOM 0 HA TYR A 32 4.324 6.067 -4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.407 6.327 -3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.885 6.160 -5.049 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.005 4.064 -5.825 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.524 4.441 -1.847 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.124 1.626 -5.551 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.646 2.004 -1.570 1.00 0.00 H new ATOM 0 HH TYR A 32 3.244 -0.040 -3.865 1.00 0.00 H new ATOM 518 N HIS A 33 4.573 8.325 -5.100 1.00 0.00 N ATOM 519 CA HIS A 33 4.705 9.612 -5.773 1.00 0.00 C ATOM 520 C HIS A 33 3.897 9.639 -7.071 1.00 0.00 C ATOM 521 O HIS A 33 3.597 10.708 -7.601 1.00 0.00 O ATOM 522 CB HIS A 33 6.178 9.907 -6.069 1.00 0.00 C ATOM 523 CG HIS A 33 6.809 10.848 -5.090 1.00 0.00 C ATOM 524 ND1 HIS A 33 8.172 10.930 -4.898 1.00 0.00 N ATOM 525 CD2 HIS A 33 6.257 11.753 -4.247 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.431 11.843 -3.978 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.286 12.357 -3.568 1.00 0.00 N ATOM 0 H HIS A 33 5.359 7.691 -5.245 1.00 0.00 H new ATOM 0 HA HIS A 33 4.312 10.381 -5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.735 8.970 -6.070 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.261 10.328 -7.071 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.871 10.373 -5.389 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.204 11.961 -4.131 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.412 12.121 -3.622 1.00 0.00 H new ATOM 536 N PHE A 34 3.550 8.459 -7.577 1.00 0.00 N ATOM 537 CA PHE A 34 2.779 8.356 -8.811 1.00 0.00 C ATOM 538 C PHE A 34 1.304 8.106 -8.511 1.00 0.00 C ATOM 539 O PHE A 34 0.929 7.850 -7.368 1.00 0.00 O ATOM 540 CB PHE A 34 3.328 7.231 -9.695 1.00 0.00 C ATOM 541 CG PHE A 34 4.827 7.128 -9.682 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.613 8.206 -10.058 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.450 5.954 -9.294 1.00 0.00 C ATOM 544 CE1 PHE A 34 6.992 8.114 -10.048 1.00 0.00 C ATOM 545 CE2 PHE A 34 6.828 5.855 -9.282 1.00 0.00 C ATOM 546 CZ PHE A 34 7.601 6.936 -9.659 1.00 0.00 C ATOM 0 H PHE A 34 3.790 7.563 -7.153 1.00 0.00 H new ATOM 0 HA PHE A 34 2.870 9.302 -9.344 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.905 6.282 -9.365 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.993 7.390 -10.720 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.142 9.129 -10.362 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.852 5.105 -8.997 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.593 8.961 -10.344 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.301 4.933 -8.978 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.678 6.861 -9.650 1.00 0.00 H new ATOM 556 N PRO A 35 0.443 8.183 -9.540 1.00 0.00 N ATOM 557 CA PRO A 35 -1.000 7.969 -9.384 1.00 0.00 C ATOM 558 C PRO A 35 -1.339 6.537 -8.984 1.00 0.00 C ATOM 559 O PRO A 35 -1.216 5.611 -9.785 1.00 0.00 O ATOM 560 CB PRO A 35 -1.571 8.281 -10.776 1.00 0.00 C ATOM 561 CG PRO A 35 -0.486 9.010 -11.495 1.00 0.00 C ATOM 562 CD PRO A 35 0.802 8.489 -10.931 1.00 0.00 C ATOM 0 HA PRO A 35 -1.412 8.593 -8.591 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.845 7.367 -11.302 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.472 8.890 -10.704 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.542 8.833 -12.569 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.572 10.086 -11.344 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.149 7.604 -11.464 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.599 9.230 -10.990 1.00 0.00 H new ATOM 570 N THR A 36 -1.778 6.364 -7.741 1.00 0.00 N ATOM 571 CA THR A 36 -2.149 5.050 -7.234 1.00 0.00 C ATOM 572 C THR A 36 -3.611 5.056 -6.792 1.00 0.00 C ATOM 573 O THR A 36 -4.022 5.888 -5.986 1.00 0.00 O ATOM 574 CB THR A 36 -1.226 4.646 -6.074 1.00 0.00 C ATOM 575 OG1 THR A 36 -0.009 4.118 -6.570 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.824 3.609 -5.143 1.00 0.00 C ATOM 0 H THR A 36 -1.885 7.121 -7.066 1.00 0.00 H new ATOM 0 HA THR A 36 -2.033 4.315 -8.030 1.00 0.00 H new ATOM 0 HB THR A 36 -1.069 5.563 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.649 4.076 -5.845 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.112 3.377 -4.351 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.741 4.001 -4.703 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.050 2.703 -5.705 1.00 0.00 H new ATOM 584 N ASN A 37 -4.394 4.132 -7.338 1.00 0.00 N ATOM 585 CA ASN A 37 -5.811 4.042 -7.008 1.00 0.00 C ATOM 586 C ASN A 37 -6.045 3.158 -5.787 1.00 0.00 C ATOM 587 O ASN A 37 -5.824 1.948 -5.834 1.00 0.00 O ATOM 588 CB ASN A 37 -6.598 3.498 -8.201 1.00 0.00 C ATOM 589 CG ASN A 37 -6.052 2.174 -8.698 1.00 0.00 C ATOM 590 OD1 ASN A 37 -6.415 1.111 -8.195 1.00 0.00 O ATOM 591 ND2 ASN A 37 -5.174 2.232 -9.693 1.00 0.00 N ATOM 0 H ASN A 37 -4.072 3.436 -8.010 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.161 5.047 -6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.643 3.373 -7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.573 4.226 -9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.773 1.373 -10.070 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.901 3.135 -10.080 1.00 0.00 H new ATOM 598 N CYS A 38 -6.504 3.769 -4.700 1.00 0.00 N ATOM 599 CA CYS A 38 -6.781 3.035 -3.472 1.00 0.00 C ATOM 600 C CYS A 38 -7.905 2.026 -3.707 1.00 0.00 C ATOM 601 O CYS A 38 -8.717 2.190 -4.617 1.00 0.00 O ATOM 602 CB CYS A 38 -7.133 4.020 -2.340 1.00 0.00 C ATOM 603 SG CYS A 38 -8.739 3.723 -1.519 1.00 0.00 S ATOM 0 H CYS A 38 -6.692 4.770 -4.645 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.892 2.480 -3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.346 3.979 -1.587 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.133 5.031 -2.747 1.00 0.00 H new ATOM 608 N GLU A 39 -7.942 0.980 -2.889 1.00 0.00 N ATOM 609 CA GLU A 39 -8.961 -0.057 -3.020 1.00 0.00 C ATOM 610 C GLU A 39 -10.187 0.251 -2.163 1.00 0.00 C ATOM 611 O GLU A 39 -11.307 -0.116 -2.515 1.00 0.00 O ATOM 612 CB GLU A 39 -8.380 -1.420 -2.632 1.00 0.00 C ATOM 613 CG GLU A 39 -8.066 -2.308 -3.823 1.00 0.00 C ATOM 614 CD GLU A 39 -9.314 -2.809 -4.524 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.270 -3.201 -3.822 1.00 0.00 O ATOM 616 OE2 GLU A 39 -9.333 -2.810 -5.772 1.00 0.00 O ATOM 0 H GLU A 39 -7.279 0.827 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.278 -0.083 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.469 -1.266 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.087 -1.935 -1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.453 -1.753 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.474 -3.161 -3.490 1.00 0.00 H new ATOM 623 N ALA A 40 -9.970 0.917 -1.034 1.00 0.00 N ATOM 624 CA ALA A 40 -11.060 1.262 -0.129 1.00 0.00 C ATOM 625 C ALA A 40 -12.073 2.192 -0.799 1.00 0.00 C ATOM 626 O ALA A 40 -13.050 1.731 -1.390 1.00 0.00 O ATOM 627 CB ALA A 40 -10.510 1.885 1.146 1.00 0.00 C ATOM 0 H ALA A 40 -9.050 1.229 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.586 0.343 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.335 2.138 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.847 1.175 1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.953 2.789 0.899 1.00 0.00 H new ATOM 633 N CYS A 41 -11.841 3.500 -0.705 1.00 0.00 N ATOM 634 CA CYS A 41 -12.743 4.480 -1.302 1.00 0.00 C ATOM 635 C CYS A 41 -12.496 4.614 -2.802 1.00 0.00 C ATOM 636 O CYS A 41 -11.715 3.860 -3.383 1.00 0.00 O ATOM 637 CB CYS A 41 -12.586 5.842 -0.616 1.00 0.00 C ATOM 638 SG CYS A 41 -11.056 6.738 -1.047 1.00 0.00 S ATOM 0 H CYS A 41 -11.038 3.904 -0.222 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.764 4.127 -1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.442 6.465 -0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.614 5.696 0.464 1.00 0.00 H new ATOM 643 N MET A 42 -13.166 5.581 -3.420 1.00 0.00 N ATOM 644 CA MET A 42 -13.021 5.819 -4.851 1.00 0.00 C ATOM 645 C MET A 42 -11.970 6.893 -5.124 1.00 0.00 C ATOM 646 O MET A 42 -11.362 6.921 -6.193 1.00 0.00 O ATOM 647 CB MET A 42 -14.362 6.237 -5.457 1.00 0.00 C ATOM 648 CG MET A 42 -14.970 7.465 -4.802 1.00 0.00 C ATOM 649 SD MET A 42 -16.491 8.003 -5.609 1.00 0.00 S ATOM 650 CE MET A 42 -17.618 6.705 -5.106 1.00 0.00 C ATOM 0 H MET A 42 -13.815 6.213 -2.952 1.00 0.00 H new ATOM 0 HA MET A 42 -12.692 4.890 -5.316 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.225 6.433 -6.520 1.00 0.00 H new ATOM 0 HB3 MET A 42 -15.063 5.407 -5.374 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.177 7.248 -3.754 1.00 0.00 H new ATOM 0 HG3 MET A 42 -14.245 8.279 -4.822 1.00 0.00 H new ATOM 0 HE1 MET A 42 -18.637 6.984 -5.374 1.00 0.00 H new ATOM 0 HE2 MET A 42 -17.351 5.776 -5.610 1.00 0.00 H new ATOM 0 HE3 MET A 42 -17.553 6.564 -4.027 1.00 0.00 H new ATOM 660 N LYS A 43 -11.762 7.775 -4.149 1.00 0.00 N ATOM 661 CA LYS A 43 -10.785 8.850 -4.286 1.00 0.00 C ATOM 662 C LYS A 43 -9.403 8.290 -4.623 1.00 0.00 C ATOM 663 O LYS A 43 -9.064 7.174 -4.231 1.00 0.00 O ATOM 664 CB LYS A 43 -10.719 9.673 -2.996 1.00 0.00 C ATOM 665 CG LYS A 43 -11.338 11.055 -3.126 1.00 0.00 C ATOM 666 CD LYS A 43 -12.843 11.016 -2.911 1.00 0.00 C ATOM 667 CE LYS A 43 -13.225 11.547 -1.538 1.00 0.00 C ATOM 668 NZ LYS A 43 -13.726 12.947 -1.602 1.00 0.00 N ATOM 0 H LYS A 43 -12.257 7.766 -3.257 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.102 9.497 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.228 9.129 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.677 9.777 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.883 11.728 -2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.121 11.460 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.337 11.608 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.200 9.992 -3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.992 10.907 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.359 11.502 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.975 13.271 -0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.985 13.563 -1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.568 12.987 -2.211 1.00 0.00 H new ATOM 682 N PRO A 44 -8.587 9.063 -5.360 1.00 0.00 N ATOM 683 CA PRO A 44 -7.238 8.638 -5.751 1.00 0.00 C ATOM 684 C PRO A 44 -6.276 8.596 -4.569 1.00 0.00 C ATOM 685 O PRO A 44 -6.547 9.166 -3.513 1.00 0.00 O ATOM 686 CB PRO A 44 -6.807 9.709 -6.754 1.00 0.00 C ATOM 687 CG PRO A 44 -7.595 10.916 -6.383 1.00 0.00 C ATOM 688 CD PRO A 44 -8.914 10.407 -5.871 1.00 0.00 C ATOM 0 HA PRO A 44 -7.231 7.626 -6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.736 9.901 -6.692 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.016 9.399 -7.778 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.079 11.500 -5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.736 11.570 -7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.315 11.049 -5.086 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.663 10.365 -6.662 1.00 0.00 H new ATOM 696 N LEU A 45 -5.149 7.917 -4.758 1.00 0.00 N ATOM 697 CA LEU A 45 -4.141 7.798 -3.712 1.00 0.00 C ATOM 698 C LEU A 45 -2.748 8.098 -4.265 1.00 0.00 C ATOM 699 O LEU A 45 -2.153 7.265 -4.948 1.00 0.00 O ATOM 700 CB LEU A 45 -4.170 6.394 -3.104 1.00 0.00 C ATOM 701 CG LEU A 45 -3.420 6.245 -1.779 1.00 0.00 C ATOM 702 CD1 LEU A 45 -3.786 4.936 -1.099 1.00 0.00 C ATOM 703 CD2 LEU A 45 -1.921 6.324 -2.004 1.00 0.00 C ATOM 0 H LEU A 45 -4.911 7.440 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.370 8.527 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.209 6.103 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.746 5.694 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.716 7.066 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.242 4.850 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.858 4.916 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.521 4.102 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.404 6.216 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.612 5.525 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.670 7.288 -2.446 1.00 0.00 H new ATOM 715 N TRP A 46 -2.235 9.291 -3.967 1.00 0.00 N ATOM 716 CA TRP A 46 -0.910 9.698 -4.435 1.00 0.00 C ATOM 717 C TRP A 46 -0.607 11.142 -4.043 1.00 0.00 C ATOM 718 O TRP A 46 -1.402 11.797 -3.369 1.00 0.00 O ATOM 719 CB TRP A 46 -0.800 9.548 -5.955 1.00 0.00 C ATOM 720 CG TRP A 46 -1.806 10.365 -6.707 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.160 10.194 -6.715 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.536 11.479 -7.565 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.749 11.136 -7.525 1.00 0.00 N ATOM 724 CE2 TRP A 46 -2.773 11.935 -8.058 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.368 12.137 -7.963 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -2.875 13.019 -8.927 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -0.471 13.212 -8.827 1.00 0.00 C ATOM 728 CH2 TRP A 46 -1.716 13.644 -9.300 1.00 0.00 C ATOM 0 H TRP A 46 -2.716 9.992 -3.404 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.180 9.044 -3.957 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.202 9.839 -6.270 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.925 8.498 -6.219 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.691 9.431 -6.166 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.750 11.225 -7.700 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.597 11.812 -7.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.834 13.354 -9.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 0.424 13.727 -9.142 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.763 14.488 -9.973 1.00 0.00 H new ATOM 739 N HIS A 47 0.552 11.630 -4.478 1.00 0.00 N ATOM 740 CA HIS A 47 0.973 12.995 -4.186 1.00 0.00 C ATOM 741 C HIS A 47 2.290 13.312 -4.889 1.00 0.00 C ATOM 742 O HIS A 47 3.172 12.458 -4.988 1.00 0.00 O ATOM 743 CB HIS A 47 1.117 13.199 -2.677 1.00 0.00 C ATOM 744 CG HIS A 47 0.396 14.407 -2.164 1.00 0.00 C ATOM 745 ND1 HIS A 47 0.886 15.689 -2.290 1.00 0.00 N ATOM 746 CD2 HIS A 47 -0.792 14.523 -1.522 1.00 0.00 C ATOM 747 CE1 HIS A 47 0.035 16.541 -1.746 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.991 15.858 -1.274 1.00 0.00 N ATOM 0 H HIS A 47 1.218 11.096 -5.036 1.00 0.00 H new ATOM 0 HA HIS A 47 0.208 13.676 -4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.740 12.315 -2.162 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.175 13.285 -2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.458 13.716 -1.255 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.158 17.613 -1.696 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.801 16.258 -0.801 1.00 0.00 H new ATOM 757 N MET A 48 2.417 14.540 -5.380 1.00 0.00 N ATOM 758 CA MET A 48 3.625 14.961 -6.080 1.00 0.00 C ATOM 759 C MET A 48 4.644 15.559 -5.115 1.00 0.00 C ATOM 760 O MET A 48 5.844 15.311 -5.234 1.00 0.00 O ATOM 761 CB MET A 48 3.280 15.980 -7.167 1.00 0.00 C ATOM 762 CG MET A 48 2.196 15.507 -8.122 1.00 0.00 C ATOM 763 SD MET A 48 2.866 14.728 -9.604 1.00 0.00 S ATOM 764 CE MET A 48 3.671 13.293 -8.896 1.00 0.00 C ATOM 0 H MET A 48 1.699 15.261 -5.306 1.00 0.00 H new ATOM 0 HA MET A 48 4.068 14.078 -6.541 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.957 16.908 -6.694 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.180 16.209 -7.737 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.547 14.799 -7.606 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.576 16.356 -8.411 1.00 0.00 H new ATOM 0 HE1 MET A 48 3.661 12.477 -9.618 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.702 13.542 -8.644 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.141 12.986 -7.994 1.00 0.00 H new ATOM 774 N PHE A 49 4.162 16.352 -4.165 1.00 0.00 N ATOM 775 CA PHE A 49 5.038 16.988 -3.187 1.00 0.00 C ATOM 776 C PHE A 49 5.294 16.073 -1.994 1.00 0.00 C ATOM 777 O PHE A 49 6.353 15.453 -1.893 1.00 0.00 O ATOM 778 CB PHE A 49 4.429 18.308 -2.709 1.00 0.00 C ATOM 779 CG PHE A 49 4.466 19.395 -3.746 1.00 0.00 C ATOM 780 CD1 PHE A 49 5.675 19.854 -4.245 1.00 0.00 C ATOM 781 CD2 PHE A 49 3.292 19.957 -4.222 1.00 0.00 C ATOM 782 CE1 PHE A 49 5.712 20.853 -5.198 1.00 0.00 C ATOM 783 CE2 PHE A 49 3.323 20.957 -5.175 1.00 0.00 C ATOM 784 CZ PHE A 49 4.535 21.406 -5.664 1.00 0.00 C ATOM 0 H PHE A 49 3.172 16.570 -4.051 1.00 0.00 H new ATOM 0 HA PHE A 49 5.992 17.187 -3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.395 18.135 -2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.964 18.645 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.599 19.426 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.342 19.609 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.661 21.202 -5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.401 21.387 -5.537 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.562 22.188 -6.409 1.00 0.00 H new ATOM 794 N LYS A 50 4.323 15.996 -1.091 1.00 0.00 N ATOM 795 CA LYS A 50 4.451 15.162 0.099 1.00 0.00 C ATOM 796 C LYS A 50 3.511 13.959 0.032 1.00 0.00 C ATOM 797 O LYS A 50 2.333 14.066 0.370 1.00 0.00 O ATOM 798 CB LYS A 50 4.152 15.983 1.353 1.00 0.00 C ATOM 799 CG LYS A 50 4.937 17.283 1.430 1.00 0.00 C ATOM 800 CD LYS A 50 6.350 17.052 1.938 1.00 0.00 C ATOM 801 CE LYS A 50 6.819 18.195 2.825 1.00 0.00 C ATOM 802 NZ LYS A 50 6.107 18.210 4.132 1.00 0.00 N ATOM 0 H LYS A 50 3.439 16.500 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 50 5.476 14.795 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.086 16.209 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.375 15.381 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.975 17.745 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.422 17.982 2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.388 16.117 2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.029 16.945 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.892 18.105 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.657 19.143 2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.652 18.771 4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.165 18.633 4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.006 17.236 4.484 1.00 0.00 H new ATOM 816 N PRO A 51 4.021 12.790 -0.402 1.00 0.00 N ATOM 817 CA PRO A 51 3.214 11.570 -0.501 1.00 0.00 C ATOM 818 C PRO A 51 2.735 11.086 0.866 1.00 0.00 C ATOM 819 O PRO A 51 3.544 10.824 1.756 1.00 0.00 O ATOM 820 CB PRO A 51 4.171 10.550 -1.126 1.00 0.00 C ATOM 821 CG PRO A 51 5.534 11.068 -0.827 1.00 0.00 C ATOM 822 CD PRO A 51 5.415 12.565 -0.824 1.00 0.00 C ATOM 0 HA PRO A 51 2.307 11.729 -1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.024 9.558 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.009 10.463 -2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.888 10.703 0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.251 10.735 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.124 13.024 -0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.611 12.987 -1.810 1.00 0.00 H new ATOM 830 N PRO A 52 1.409 10.964 1.053 1.00 0.00 N ATOM 831 CA PRO A 52 0.830 10.512 2.322 1.00 0.00 C ATOM 832 C PRO A 52 1.167 9.056 2.629 1.00 0.00 C ATOM 833 O PRO A 52 1.444 8.271 1.721 1.00 0.00 O ATOM 834 CB PRO A 52 -0.678 10.680 2.111 1.00 0.00 C ATOM 835 CG PRO A 52 -0.865 10.645 0.633 1.00 0.00 C ATOM 836 CD PRO A 52 0.374 11.257 0.046 1.00 0.00 C ATOM 0 HA PRO A 52 1.219 11.078 3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.237 9.881 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.033 11.621 2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.000 9.622 0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.754 11.203 0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.619 10.819 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.257 12.329 -0.110 1.00 0.00 H new ATOM 844 N PRO A 53 1.143 8.675 3.917 1.00 0.00 N ATOM 845 CA PRO A 53 1.444 7.303 4.339 1.00 0.00 C ATOM 846 C PRO A 53 0.422 6.302 3.813 1.00 0.00 C ATOM 847 O PRO A 53 -0.612 6.074 4.437 1.00 0.00 O ATOM 848 CB PRO A 53 1.386 7.373 5.868 1.00 0.00 C ATOM 849 CG PRO A 53 0.551 8.569 6.167 1.00 0.00 C ATOM 850 CD PRO A 53 0.819 9.546 5.059 1.00 0.00 C ATOM 0 HA PRO A 53 2.405 6.962 3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.945 6.469 6.288 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.383 7.471 6.297 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.506 8.307 6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.812 8.996 7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.050 10.172 4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.644 10.215 5.302 1.00 0.00 H new ATOM 858 N ALA A 54 0.718 5.709 2.662 1.00 0.00 N ATOM 859 CA ALA A 54 -0.175 4.735 2.053 1.00 0.00 C ATOM 860 C ALA A 54 0.158 3.323 2.518 1.00 0.00 C ATOM 861 O ALA A 54 1.260 3.063 3.002 1.00 0.00 O ATOM 862 CB ALA A 54 -0.097 4.825 0.537 1.00 0.00 C ATOM 0 H ALA A 54 1.571 5.887 2.132 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.193 4.963 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.770 4.091 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.389 5.825 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.924 4.624 0.213 1.00 0.00 H new ATOM 868 N LEU A 55 -0.799 2.416 2.368 1.00 0.00 N ATOM 869 CA LEU A 55 -0.603 1.030 2.774 1.00 0.00 C ATOM 870 C LEU A 55 -0.788 0.087 1.591 1.00 0.00 C ATOM 871 O LEU A 55 -1.880 -0.018 1.032 1.00 0.00 O ATOM 872 CB LEU A 55 -1.571 0.659 3.898 1.00 0.00 C ATOM 873 CG LEU A 55 -1.612 1.641 5.071 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.607 1.171 6.120 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.226 1.805 5.681 1.00 0.00 C ATOM 0 H LEU A 55 -1.717 2.614 1.969 1.00 0.00 H new ATOM 0 HA LEU A 55 0.418 0.927 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.574 0.575 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.301 -0.326 4.278 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.937 2.612 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.625 1.880 6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.600 1.106 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.310 0.189 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.276 2.507 6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.130 0.840 6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.461 2.186 4.926 1.00 0.00 H new ATOM 887 N GLU A 56 0.288 -0.595 1.213 1.00 0.00 N ATOM 888 CA GLU A 56 0.252 -1.528 0.091 1.00 0.00 C ATOM 889 C GLU A 56 0.175 -2.971 0.577 1.00 0.00 C ATOM 890 O GLU A 56 0.901 -3.370 1.486 1.00 0.00 O ATOM 891 CB GLU A 56 1.491 -1.346 -0.786 1.00 0.00 C ATOM 892 CG GLU A 56 1.394 -2.055 -2.126 1.00 0.00 C ATOM 893 CD GLU A 56 2.723 -2.621 -2.584 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.188 -3.610 -1.978 1.00 0.00 O ATOM 895 OE2 GLU A 56 3.299 -2.076 -3.549 1.00 0.00 O ATOM 0 H GLU A 56 1.198 -0.519 1.668 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.642 -1.313 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.652 -0.282 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.364 -1.718 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.665 -2.862 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.023 -1.357 -2.876 1.00 0.00 H new ATOM 902 N CYS A 57 -0.702 -3.751 -0.043 1.00 0.00 N ATOM 903 CA CYS A 57 -0.865 -5.152 0.320 1.00 0.00 C ATOM 904 C CYS A 57 0.284 -5.986 -0.232 1.00 0.00 C ATOM 905 O CYS A 57 0.667 -5.841 -1.394 1.00 0.00 O ATOM 906 CB CYS A 57 -2.201 -5.687 -0.205 1.00 0.00 C ATOM 907 SG CYS A 57 -2.459 -7.468 0.091 1.00 0.00 S ATOM 0 H CYS A 57 -1.311 -3.437 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.858 -5.226 1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.012 -5.131 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.261 -5.495 -1.276 1.00 0.00 H new ATOM 912 N ARG A 58 0.829 -6.860 0.604 1.00 0.00 N ATOM 913 CA ARG A 58 1.933 -7.719 0.198 1.00 0.00 C ATOM 914 C ARG A 58 1.418 -9.081 -0.262 1.00 0.00 C ATOM 915 O ARG A 58 2.089 -10.100 -0.095 1.00 0.00 O ATOM 916 CB ARG A 58 2.924 -7.889 1.352 1.00 0.00 C ATOM 917 CG ARG A 58 2.343 -8.612 2.556 1.00 0.00 C ATOM 918 CD ARG A 58 3.357 -8.727 3.685 1.00 0.00 C ATOM 919 NE ARG A 58 3.694 -10.118 3.980 1.00 0.00 N ATOM 920 CZ ARG A 58 4.635 -10.810 3.338 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.338 -10.245 2.364 1.00 0.00 N ATOM 922 NH2 ARG A 58 4.874 -12.070 3.673 1.00 0.00 N ATOM 0 H ARG A 58 0.524 -6.993 1.568 1.00 0.00 H new ATOM 0 HA ARG A 58 2.446 -7.246 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.794 -8.440 0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.276 -6.906 1.665 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.462 -8.078 2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.014 -9.608 2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.263 -8.184 3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.957 -8.253 4.581 1.00 0.00 H new ATOM 0 HE ARG A 58 3.177 -10.588 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.160 -9.275 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.057 -10.781 1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.338 -12.509 4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.594 -12.600 3.182 1.00 0.00 H new ATOM 936 N ARG A 59 0.220 -9.089 -0.843 1.00 0.00 N ATOM 937 CA ARG A 59 -0.393 -10.319 -1.332 1.00 0.00 C ATOM 938 C ARG A 59 -1.022 -10.112 -2.712 1.00 0.00 C ATOM 939 O ARG A 59 -0.462 -10.529 -3.725 1.00 0.00 O ATOM 940 CB ARG A 59 -1.449 -10.818 -0.341 1.00 0.00 C ATOM 941 CG ARG A 59 -0.919 -11.015 1.073 1.00 0.00 C ATOM 942 CD ARG A 59 -1.810 -10.347 2.109 1.00 0.00 C ATOM 943 NE ARG A 59 -2.456 -11.320 2.984 1.00 0.00 N ATOM 944 CZ ARG A 59 -1.803 -12.069 3.870 1.00 0.00 C ATOM 945 NH1 ARG A 59 -0.486 -11.956 4.002 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.467 -12.933 4.626 1.00 0.00 N ATOM 0 H ARG A 59 -0.346 -8.253 -0.986 1.00 0.00 H new ATOM 0 HA ARG A 59 0.391 -11.071 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.274 -10.106 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.855 -11.763 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.847 -12.081 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.089 -10.607 1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.215 -9.659 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.571 -9.753 1.603 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.467 -11.433 2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.030 -11.293 3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.010 -12.532 4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.478 -13.024 4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.966 -13.507 5.305 1.00 0.00 H new ATOM 960 N CYS A 60 -2.188 -9.465 -2.746 1.00 0.00 N ATOM 961 CA CYS A 60 -2.886 -9.208 -4.005 1.00 0.00 C ATOM 962 C CYS A 60 -2.379 -7.926 -4.670 1.00 0.00 C ATOM 963 O CYS A 60 -2.656 -7.679 -5.844 1.00 0.00 O ATOM 964 CB CYS A 60 -4.398 -9.113 -3.775 1.00 0.00 C ATOM 965 SG CYS A 60 -4.929 -7.639 -2.845 1.00 0.00 S ATOM 0 H CYS A 60 -2.667 -9.111 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.680 -10.045 -4.672 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.901 -9.118 -4.742 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.728 -10.003 -3.240 1.00 0.00 H new ATOM 970 N HIS A 61 -1.640 -7.115 -3.914 1.00 0.00 N ATOM 971 CA HIS A 61 -1.095 -5.860 -4.430 1.00 0.00 C ATOM 972 C HIS A 61 -2.176 -4.786 -4.523 1.00 0.00 C ATOM 973 O HIS A 61 -2.842 -4.646 -5.548 1.00 0.00 O ATOM 974 CB HIS A 61 -0.449 -6.071 -5.804 1.00 0.00 C ATOM 975 CG HIS A 61 0.376 -7.317 -5.894 1.00 0.00 C ATOM 976 ND1 HIS A 61 0.451 -8.089 -7.034 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.166 -7.924 -4.978 1.00 0.00 C ATOM 978 CE1 HIS A 61 1.250 -9.119 -6.814 1.00 0.00 C ATOM 979 NE2 HIS A 61 1.698 -9.041 -5.574 1.00 0.00 N ATOM 0 H HIS A 61 -1.405 -7.305 -2.940 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.331 -5.521 -3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.231 -6.108 -6.562 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.180 -5.211 -6.036 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.345 -7.592 -3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.495 -9.893 -7.527 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.335 -9.703 -5.131 1.00 0.00 H new ATOM 988 N ILE A 62 -2.338 -4.027 -3.442 1.00 0.00 N ATOM 989 CA ILE A 62 -3.329 -2.958 -3.392 1.00 0.00 C ATOM 990 C ILE A 62 -2.915 -1.889 -2.393 1.00 0.00 C ATOM 991 O ILE A 62 -2.477 -2.201 -1.287 1.00 0.00 O ATOM 992 CB ILE A 62 -4.722 -3.489 -3.010 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.691 -4.151 -1.629 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.213 -4.467 -4.061 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.716 -3.590 -0.668 1.00 0.00 C ATOM 0 H ILE A 62 -1.793 -4.134 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.382 -2.528 -4.392 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.414 -2.648 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.860 -5.222 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.697 -4.030 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.199 -4.837 -3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.274 -3.964 -5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.518 -5.304 -4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.637 -4.105 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.534 -2.525 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.716 -3.735 -1.077 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.043 -0.629 -2.782 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.662 0.466 -1.902 1.00 0.00 C ATOM 1009 C LYS A 63 -3.876 1.093 -1.226 1.00 0.00 C ATOM 1010 O LYS A 63 -4.975 1.103 -1.779 1.00 0.00 O ATOM 1011 CB LYS A 63 -1.888 1.535 -2.674 1.00 0.00 C ATOM 1012 CG LYS A 63 -0.743 0.977 -3.505 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.248 0.294 -4.764 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.202 0.316 -5.868 1.00 0.00 C ATOM 1015 NZ LYS A 63 -0.709 -0.294 -7.128 1.00 0.00 N ATOM 0 H LYS A 63 -3.404 -0.341 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.019 0.049 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.577 2.067 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.492 2.265 -1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.062 1.784 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.172 0.266 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.517 -0.738 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.154 0.791 -5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.101 1.345 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.686 -0.222 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.034 -0.259 -7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.975 -1.284 -6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.541 0.234 -7.459 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.660 1.619 -0.025 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.723 2.259 0.740 1.00 0.00 C ATOM 1031 C CYS A 64 -4.137 3.214 1.777 1.00 0.00 C ATOM 1032 O CYS A 64 -3.345 2.808 2.627 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.584 1.206 1.438 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.796 0.403 0.366 1.00 0.00 S ATOM 0 H CYS A 64 -2.753 1.614 0.441 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.345 2.827 0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.931 0.444 1.863 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.108 1.676 2.270 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.250 0.137 -0.783 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.526 4.486 1.701 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.027 5.499 2.639 1.00 0.00 C ATOM 1042 C HIS A 65 -4.072 4.990 4.068 1.00 0.00 C ATOM 1043 O HIS A 65 -5.074 4.425 4.507 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.829 6.814 2.577 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.824 6.892 1.463 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -5.763 7.760 0.392 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -6.938 6.168 1.293 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -6.844 7.529 -0.378 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.588 6.563 0.136 1.00 0.00 N ATOM 0 H HIS A 65 -5.181 4.841 1.005 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.999 5.698 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.353 6.948 3.523 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.130 7.645 2.479 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.033 8.450 0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.279 5.390 1.960 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.072 8.060 -1.290 1.00 0.00 H new ATOM 1057 N LYS A 66 -2.998 5.230 4.803 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.936 4.835 6.197 1.00 0.00 C ATOM 1059 C LYS A 66 -4.170 5.360 6.922 1.00 0.00 C ATOM 1060 O LYS A 66 -4.654 4.755 7.877 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.662 5.377 6.850 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.586 5.119 8.347 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.270 4.457 8.737 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.484 3.035 9.228 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.745 2.206 9.077 1.00 0.00 N ATOM 0 H LYS A 66 -2.159 5.696 4.456 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.914 3.747 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.796 4.924 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.601 6.451 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.693 6.061 8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.418 4.483 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.402 4.449 7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.216 5.043 9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.783 3.054 10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.302 2.577 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.540 1.226 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.055 2.223 8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.499 2.590 9.682 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.670 6.501 6.445 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.849 7.133 7.025 1.00 0.00 C ATOM 1081 C ASP A 67 -7.005 6.147 7.171 1.00 0.00 C ATOM 1082 O ASP A 67 -7.662 6.107 8.211 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.285 8.321 6.167 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.692 9.631 6.647 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -6.203 10.184 7.645 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -4.715 10.104 6.029 1.00 0.00 O ATOM 0 H ASP A 67 -4.272 7.006 5.654 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.579 7.482 8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.986 8.148 5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.373 8.393 6.177 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.264 5.353 6.129 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.368 4.382 6.190 1.00 0.00 C ATOM 1093 C HIS A 68 -8.228 3.470 7.405 1.00 0.00 C ATOM 1094 O HIS A 68 -9.163 3.322 8.193 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.446 3.532 4.915 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.057 4.253 3.755 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.084 5.167 3.866 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.705 4.244 2.449 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.311 5.679 2.649 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.499 5.154 1.753 1.00 0.00 N ATOM 0 H HIS A 68 -6.742 5.358 5.253 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.291 4.956 6.279 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.442 3.206 4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.027 2.633 5.122 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.582 5.410 4.722 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.931 3.629 2.014 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.061 6.425 2.431 1.00 0.00 H new ATOM 1108 N MET A 69 -7.057 2.863 7.555 1.00 0.00 N ATOM 1109 CA MET A 69 -6.800 1.967 8.676 1.00 0.00 C ATOM 1110 C MET A 69 -6.829 2.725 10.000 1.00 0.00 C ATOM 1111 O MET A 69 -7.474 2.298 10.957 1.00 0.00 O ATOM 1112 CB MET A 69 -5.448 1.272 8.502 1.00 0.00 C ATOM 1113 CG MET A 69 -5.107 0.311 9.629 1.00 0.00 C ATOM 1114 SD MET A 69 -6.187 -1.132 9.661 1.00 0.00 S ATOM 1115 CE MET A 69 -6.068 -1.683 7.960 1.00 0.00 C ATOM 0 H MET A 69 -6.271 2.975 6.915 1.00 0.00 H new ATOM 0 HA MET A 69 -7.588 1.214 8.693 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.448 0.726 7.558 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.667 2.029 8.432 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.073 -0.016 9.522 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.178 0.835 10.582 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.976 -1.406 7.424 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.208 -1.212 7.484 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.948 -2.766 7.936 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.125 3.850 10.047 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.068 4.668 11.254 1.00 0.00 C ATOM 1127 C ASP A 70 -7.457 5.157 11.651 1.00 0.00 C ATOM 1128 O ASP A 70 -7.749 5.341 12.831 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.134 5.861 11.042 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.247 6.121 12.244 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.722 5.937 13.384 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -3.076 6.507 12.044 1.00 0.00 O ATOM 0 H ASP A 70 -5.585 4.217 9.263 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.679 4.049 12.063 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.511 5.680 10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.727 6.751 10.832 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.311 5.365 10.653 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.670 5.837 10.896 1.00 0.00 C ATOM 1139 C LYS A 71 -10.625 4.672 11.148 1.00 0.00 C ATOM 1140 O LYS A 71 -11.731 4.864 11.652 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.163 6.667 9.709 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.320 7.904 9.443 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.007 9.165 9.940 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.047 10.343 9.977 1.00 0.00 C ATOM 1145 NZ LYS A 71 -9.653 11.534 10.634 1.00 0.00 N ATOM 0 H LYS A 71 -8.086 5.214 9.670 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.652 6.462 11.789 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.169 6.042 8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.194 6.972 9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.352 7.798 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.127 7.991 8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.850 9.401 9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.411 8.992 10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.141 10.056 10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.750 10.601 8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.966 12.315 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.504 11.824 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.913 11.296 11.612 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.196 3.462 10.793 1.00 0.00 N ATOM 1160 CA LYS A 72 -11.021 2.275 10.983 1.00 0.00 C ATOM 1161 C LYS A 72 -12.279 2.352 10.123 1.00 0.00 C ATOM 1162 O LYS A 72 -13.399 2.331 10.635 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.394 2.115 12.460 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.505 1.136 13.208 1.00 0.00 C ATOM 1165 CD LYS A 72 -9.036 1.507 13.080 1.00 0.00 C ATOM 1166 CE LYS A 72 -8.287 1.278 14.383 1.00 0.00 C ATOM 1167 NZ LYS A 72 -6.811 1.347 14.196 1.00 0.00 N ATOM 0 H LYS A 72 -9.284 3.280 10.374 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.445 1.403 10.673 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.339 3.088 12.948 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.429 1.781 12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.787 1.119 14.261 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.662 0.130 12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.578 0.915 12.287 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.948 2.553 12.788 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.595 2.025 15.115 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.556 0.303 14.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.338 1.186 15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.513 0.618 13.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.551 2.286 13.832 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.082 2.444 8.814 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.195 2.527 7.876 1.00 0.00 C ATOM 1183 C GLU A 73 -13.729 1.141 7.537 1.00 0.00 C ATOM 1184 O GLU A 73 -12.968 0.180 7.431 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.753 3.240 6.597 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.427 4.711 6.801 1.00 0.00 C ATOM 1187 CD GLU A 73 -13.007 5.594 5.714 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.106 5.275 5.214 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.362 6.605 5.363 1.00 0.00 O ATOM 0 H GLU A 73 -11.161 2.463 8.377 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.995 3.097 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.875 2.735 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.542 3.152 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.811 5.033 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.345 4.839 6.829 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.042 1.050 7.359 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.682 -0.215 7.017 1.00 0.00 C ATOM 1198 C GLU A 74 -15.818 -0.347 5.504 1.00 0.00 C ATOM 1199 O GLU A 74 -16.808 -0.877 5.000 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.058 -0.313 7.678 1.00 0.00 C ATOM 1201 CG GLU A 74 -18.046 0.734 7.188 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.386 0.645 7.889 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.770 -0.472 8.297 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.053 1.691 8.032 1.00 0.00 O ATOM 0 H GLU A 74 -15.684 1.837 7.446 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.058 -1.029 7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.471 -1.305 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.941 -0.213 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.624 1.727 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.193 0.615 6.115 1.00 0.00 H new ATOM 1211 N ILE A 75 -14.814 0.146 4.789 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.805 0.100 3.335 1.00 0.00 C ATOM 1213 C ILE A 75 -13.752 -0.878 2.819 1.00 0.00 C ATOM 1214 O ILE A 75 -13.849 -1.375 1.697 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.538 1.499 2.744 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.167 2.016 3.195 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.641 2.460 3.163 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.936 3.483 2.897 1.00 0.00 C ATOM 0 H ILE A 75 -13.990 0.586 5.198 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.789 -0.243 3.015 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.534 1.429 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.063 1.852 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.389 1.429 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.444 3.446 2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.601 2.094 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.669 2.530 4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.945 3.773 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.006 3.651 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.690 4.081 3.408 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.750 -1.157 3.649 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.684 -2.080 3.278 1.00 0.00 C ATOM 1232 C ILE A 76 -12.158 -3.525 3.379 1.00 0.00 C ATOM 1233 O ILE A 76 -12.625 -3.963 4.431 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.445 -1.898 4.177 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.001 -0.435 4.186 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.310 -2.797 3.709 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.115 -0.081 5.361 1.00 0.00 C ATOM 0 H ILE A 76 -12.655 -0.757 4.582 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.412 -1.855 2.247 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.712 -2.183 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.467 -0.220 3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.884 0.204 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.444 -2.655 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.629 -3.838 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.043 -2.542 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.838 0.972 5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.653 -0.264 6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.215 -0.695 5.336 1.00 0.00 H new ATOM 1249 N ALA A 77 -12.029 -4.267 2.283 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.440 -5.664 2.259 1.00 0.00 C ATOM 1251 C ALA A 77 -11.247 -6.590 2.452 1.00 0.00 C ATOM 1252 O ALA A 77 -10.098 -6.178 2.302 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.150 -5.994 0.956 1.00 0.00 C ATOM 0 H ALA A 77 -11.644 -3.924 1.403 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.133 -5.819 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.448 -7.042 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.035 -5.365 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.477 -5.811 0.118 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.509 -7.861 2.786 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.455 -8.855 2.995 1.00 0.00 C ATOM 1261 C PRO A 78 -9.653 -9.120 1.727 1.00 0.00 C ATOM 1262 O PRO A 78 -10.152 -8.931 0.618 1.00 0.00 O ATOM 1263 CB PRO A 78 -11.221 -10.115 3.413 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.612 -9.909 2.923 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.854 -8.430 2.981 1.00 0.00 C ATOM 0 HA PRO A 78 -9.726 -8.522 3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.778 -11.009 2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.200 -10.247 4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.727 -10.284 1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.328 -10.447 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.546 -8.104 2.204 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.284 -8.129 3.937 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.406 -9.557 1.893 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.546 -9.844 0.748 1.00 0.00 C ATOM 1275 C CYS A 79 -8.225 -10.820 -0.212 1.00 0.00 C ATOM 1276 O CYS A 79 -8.982 -11.694 0.211 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.199 -10.408 1.208 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.902 -10.348 -0.077 1.00 0.00 S ATOM 0 H CYS A 79 -7.972 -9.719 2.802 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.369 -8.907 0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.860 -9.850 2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.337 -11.442 1.525 1.00 0.00 H new ATOM 1283 N LYS A 80 -7.960 -10.654 -1.503 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.558 -11.511 -2.525 1.00 0.00 C ATOM 1285 C LYS A 80 -7.717 -12.761 -2.772 1.00 0.00 C ATOM 1286 O LYS A 80 -8.257 -13.837 -3.036 1.00 0.00 O ATOM 1287 CB LYS A 80 -8.728 -10.735 -3.831 1.00 0.00 C ATOM 1288 CG LYS A 80 -7.457 -10.044 -4.300 1.00 0.00 C ATOM 1289 CD LYS A 80 -7.514 -9.717 -5.784 1.00 0.00 C ATOM 1290 CE LYS A 80 -6.381 -10.385 -6.547 1.00 0.00 C ATOM 1291 NZ LYS A 80 -5.852 -9.514 -7.633 1.00 0.00 N ATOM 0 H LYS A 80 -7.336 -9.935 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.535 -11.828 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.067 -11.419 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.511 -9.988 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.309 -9.127 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.598 -10.685 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.471 -10.043 -6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.460 -8.637 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.575 -10.633 -5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.735 -11.323 -6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.081 -10.006 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.614 -9.297 -8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.490 -8.629 -7.223 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.398 -12.620 -2.695 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.498 -13.746 -2.922 1.00 0.00 C ATOM 1307 C VAL A 81 -5.280 -14.566 -1.650 1.00 0.00 C ATOM 1308 O VAL A 81 -4.421 -15.447 -1.614 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.132 -13.278 -3.459 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.299 -12.548 -4.782 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.426 -12.397 -2.439 1.00 0.00 C ATOM 0 H VAL A 81 -5.929 -11.741 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.980 -14.376 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.512 -14.158 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.323 -12.225 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.755 -13.217 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.939 -11.677 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.463 -12.078 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.040 -11.521 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.268 -12.960 -1.519 1.00 0.00 H new ATOM 1321 N TYR A 82 -6.055 -14.275 -0.607 1.00 0.00 N ATOM 1322 CA TYR A 82 -5.937 -14.992 0.660 1.00 0.00 C ATOM 1323 C TYR A 82 -5.975 -16.504 0.444 1.00 0.00 C ATOM 1324 O TYR A 82 -5.369 -17.262 1.199 1.00 0.00 O ATOM 1325 CB TYR A 82 -7.056 -14.567 1.616 1.00 0.00 C ATOM 1326 CG TYR A 82 -8.423 -15.094 1.236 1.00 0.00 C ATOM 1327 CD1 TYR A 82 -9.106 -14.584 0.138 1.00 0.00 C ATOM 1328 CD2 TYR A 82 -9.029 -16.102 1.975 1.00 0.00 C ATOM 1329 CE1 TYR A 82 -10.355 -15.064 -0.211 1.00 0.00 C ATOM 1330 CE2 TYR A 82 -10.277 -16.587 1.632 1.00 0.00 C ATOM 1331 CZ TYR A 82 -10.935 -16.064 0.539 1.00 0.00 C ATOM 1332 OH TYR A 82 -12.177 -16.544 0.194 1.00 0.00 O ATOM 0 H TYR A 82 -6.771 -13.548 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.974 -14.737 1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.812 -14.911 2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.095 -13.478 1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.654 -13.800 -0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.516 -16.514 2.832 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.873 -14.657 -1.067 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.734 -17.371 2.217 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.442 -17.247 0.823 1.00 0.00 H new ATOM 1342 N TYR A 83 -6.691 -16.930 -0.591 1.00 0.00 N ATOM 1343 CA TYR A 83 -6.809 -18.349 -0.906 1.00 0.00 C ATOM 1344 C TYR A 83 -6.298 -18.636 -2.314 1.00 0.00 C ATOM 1345 O TYR A 83 -5.608 -19.630 -2.544 1.00 0.00 O ATOM 1346 CB TYR A 83 -8.265 -18.803 -0.774 1.00 0.00 C ATOM 1347 CG TYR A 83 -8.512 -19.703 0.415 1.00 0.00 C ATOM 1348 CD1 TYR A 83 -8.226 -19.276 1.707 1.00 0.00 C ATOM 1349 CD2 TYR A 83 -9.032 -20.981 0.248 1.00 0.00 C ATOM 1350 CE1 TYR A 83 -8.451 -20.096 2.796 1.00 0.00 C ATOM 1351 CE2 TYR A 83 -9.261 -21.807 1.332 1.00 0.00 C ATOM 1352 CZ TYR A 83 -8.968 -21.361 2.603 1.00 0.00 C ATOM 1353 OH TYR A 83 -9.193 -22.179 3.685 1.00 0.00 O ATOM 0 H TYR A 83 -7.198 -16.313 -1.226 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.198 -18.907 -0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -8.905 -17.924 -0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.557 -19.328 -1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.821 -18.287 1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.261 -21.335 -0.746 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.223 -19.749 3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.667 -22.797 1.184 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.560 -23.034 3.378 1.00 0.00 H new ATOM 1363 N ASP A 84 -6.643 -17.763 -3.254 1.00 0.00 N ATOM 1364 CA ASP A 84 -6.221 -17.923 -4.642 1.00 0.00 C ATOM 1365 C ASP A 84 -4.698 -17.947 -4.748 1.00 0.00 C ATOM 1366 O ASP A 84 -4.100 -18.995 -4.984 1.00 0.00 O ATOM 1367 CB ASP A 84 -6.788 -16.791 -5.502 1.00 0.00 C ATOM 1368 CG ASP A 84 -7.365 -17.294 -6.810 1.00 0.00 C ATOM 1369 OD1 ASP A 84 -8.509 -17.794 -6.802 1.00 0.00 O ATOM 1370 OD2 ASP A 84 -6.672 -17.189 -7.845 1.00 0.00 O ATOM 0 H ASP A 84 -7.214 -16.936 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.607 -18.875 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.564 -16.267 -4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.000 -16.067 -5.710 1.00 0.00 H new TER 1375 ASP A 84 HETATM 1376 ZN ZN A 601 -4.535 -8.128 -0.642 1.00 1.00 ZN HETATM 1377 ZN ZN A 602 -9.286 5.535 -0.219 1.00 1.00 ZN