USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 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= -0.285 X(o=-7.1,f=-7.5) USER MOD Set 1.2: A 69 MET CE :methyl -116:sc= -6.8 (180deg=-11.7!) USER MOD Single : A 1 GLU N :NH3+ -158:sc= -0.0158 (180deg=-0.188) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -6:sc= 1.09 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 32 TYR OH : rot 52:sc= 0.256 USER MOD Single : A 33 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-1.4) USER MOD Single : A 36 THR OG1 : rot 163:sc= 0.495 USER MOD Single : A 37 ASN : amide:sc= -0.9 X(o=-0.9,f=-1.1) USER MOD Single : A 42 MET CE :methyl 168:sc= 0 (180deg=-0.157) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc=-0.000279 X(o=-0.00028,f=0) USER MOD Single : A 48 MET CE :methyl -133:sc= -0.679 (180deg=-3.74!) USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= -0.0447 (180deg=-0.331) USER MOD Single : A 61 HIS : no HD1:sc= -0.228 K(o=-0.23,f=-2.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 40:sc= 0.115 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 6.979 26.335 16.810 1.00 0.00 N ATOM 2 CA GLU A 1 6.428 25.003 16.446 1.00 0.00 C ATOM 3 C GLU A 1 5.215 25.138 15.532 1.00 0.00 C ATOM 4 O GLU A 1 4.074 25.156 15.996 1.00 0.00 O ATOM 5 CB GLU A 1 6.042 24.269 17.731 1.00 0.00 C ATOM 6 CG GLU A 1 7.234 23.865 18.584 1.00 0.00 C ATOM 7 CD GLU A 1 7.485 22.370 18.566 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.583 21.797 17.460 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.584 21.771 19.657 1.00 0.00 O ATOM 0 H1 GLU A 1 7.973 26.232 17.099 1.00 0.00 H new ATOM 0 H2 GLU A 1 6.921 26.971 15.989 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.429 26.735 17.597 1.00 0.00 H new ATOM 0 HA GLU A 1 7.186 24.439 15.903 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.384 24.908 18.320 1.00 0.00 H new ATOM 0 HB3 GLU A 1 5.472 23.377 17.472 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.124 24.383 18.227 1.00 0.00 H new ATOM 0 HG3 GLU A 1 7.067 24.189 19.611 1.00 0.00 H new ATOM 18 N SER A 2 5.469 25.234 14.232 1.00 0.00 N ATOM 19 CA SER A 2 4.397 25.369 13.250 1.00 0.00 C ATOM 20 C SER A 2 4.137 24.042 12.546 1.00 0.00 C ATOM 21 O SER A 2 3.068 23.449 12.694 1.00 0.00 O ATOM 22 CB SER A 2 4.751 26.445 12.223 1.00 0.00 C ATOM 23 OG SER A 2 6.155 26.598 12.109 1.00 0.00 O ATOM 0 H SER A 2 6.407 25.221 13.832 1.00 0.00 H new ATOM 0 HA SER A 2 3.489 25.665 13.776 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.331 26.179 11.253 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.301 27.394 12.516 1.00 0.00 H new ATOM 0 HG SER A 2 6.356 27.290 11.445 1.00 0.00 H new ATOM 29 N LYS A 3 5.120 23.582 11.780 1.00 0.00 N ATOM 30 CA LYS A 3 4.998 22.324 11.051 1.00 0.00 C ATOM 31 C LYS A 3 5.065 21.135 12.005 1.00 0.00 C ATOM 32 O LYS A 3 5.269 21.303 13.208 1.00 0.00 O ATOM 33 CB LYS A 3 6.100 22.214 9.995 1.00 0.00 C ATOM 34 CG LYS A 3 5.600 21.735 8.642 1.00 0.00 C ATOM 35 CD LYS A 3 4.853 22.834 7.904 1.00 0.00 C ATOM 36 CE LYS A 3 3.586 22.304 7.252 1.00 0.00 C ATOM 37 NZ LYS A 3 2.842 23.375 6.531 1.00 0.00 N ATOM 0 H LYS A 3 6.011 24.061 11.647 1.00 0.00 H new ATOM 0 HA LYS A 3 4.028 22.311 10.554 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.574 23.188 9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.868 21.528 10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.444 21.399 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.943 20.876 8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.599 23.633 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.501 23.268 7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.843 21.507 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.942 21.865 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.985 22.973 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.574 24.123 7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.447 23.777 5.787 1.00 0.00 H new ATOM 51 N LYS A 4 4.894 19.935 11.459 1.00 0.00 N ATOM 52 CA LYS A 4 4.938 18.719 12.262 1.00 0.00 C ATOM 53 C LYS A 4 6.326 18.508 12.856 1.00 0.00 C ATOM 54 O LYS A 4 7.244 19.291 12.609 1.00 0.00 O ATOM 55 CB LYS A 4 4.546 17.509 11.412 1.00 0.00 C ATOM 56 CG LYS A 4 5.458 17.285 10.216 1.00 0.00 C ATOM 57 CD LYS A 4 4.789 16.424 9.158 1.00 0.00 C ATOM 58 CE LYS A 4 4.191 17.269 8.045 1.00 0.00 C ATOM 59 NZ LYS A 4 2.702 17.283 8.096 1.00 0.00 N ATOM 0 H LYS A 4 4.724 19.779 10.465 1.00 0.00 H new ATOM 0 HA LYS A 4 4.226 18.828 13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.556 16.617 12.038 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.523 17.639 11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.734 18.246 9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.381 16.807 10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.518 15.731 8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.006 15.822 9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.566 18.289 8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.517 16.882 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.334 17.870 7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.342 16.312 7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.390 17.676 9.007 1.00 0.00 H new ATOM 73 N GLU A 5 6.474 17.445 13.640 1.00 0.00 N ATOM 74 CA GLU A 5 7.752 17.130 14.269 1.00 0.00 C ATOM 75 C GLU A 5 8.681 16.424 13.286 1.00 0.00 C ATOM 76 O GLU A 5 8.226 15.709 12.392 1.00 0.00 O ATOM 77 CB GLU A 5 7.534 16.254 15.503 1.00 0.00 C ATOM 78 CG GLU A 5 6.493 16.805 16.465 1.00 0.00 C ATOM 79 CD GLU A 5 5.783 15.715 17.243 1.00 0.00 C ATOM 80 OE1 GLU A 5 6.392 15.166 18.187 1.00 0.00 O ATOM 81 OE2 GLU A 5 4.618 15.409 16.911 1.00 0.00 O ATOM 0 H GLU A 5 5.725 16.787 13.855 1.00 0.00 H new ATOM 0 HA GLU A 5 8.220 18.066 14.575 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.229 15.258 15.182 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.481 16.142 16.031 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.975 17.489 17.163 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.758 17.385 15.906 1.00 0.00 H new ATOM 88 N PRO A 6 10.003 16.615 13.438 1.00 0.00 N ATOM 89 CA PRO A 6 10.996 15.993 12.558 1.00 0.00 C ATOM 90 C PRO A 6 11.144 14.497 12.816 1.00 0.00 C ATOM 91 O PRO A 6 11.455 14.077 13.931 1.00 0.00 O ATOM 92 CB PRO A 6 12.289 16.727 12.913 1.00 0.00 C ATOM 93 CG PRO A 6 12.100 17.161 14.325 1.00 0.00 C ATOM 94 CD PRO A 6 10.632 17.452 14.478 1.00 0.00 C ATOM 0 HA PRO A 6 10.718 16.073 11.507 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.156 16.074 12.812 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.454 17.580 12.255 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.417 16.382 15.018 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.698 18.046 14.544 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.273 17.192 15.474 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.415 18.509 14.327 1.00 0.00 H new ATOM 102 N GLU A 7 10.919 13.697 11.780 1.00 0.00 N ATOM 103 CA GLU A 7 11.027 12.248 11.895 1.00 0.00 C ATOM 104 C GLU A 7 11.045 11.590 10.518 1.00 0.00 C ATOM 105 O GLU A 7 10.058 11.641 9.784 1.00 0.00 O ATOM 106 CB GLU A 7 9.867 11.693 12.725 1.00 0.00 C ATOM 107 CG GLU A 7 10.290 10.633 13.729 1.00 0.00 C ATOM 108 CD GLU A 7 9.143 9.731 14.143 1.00 0.00 C ATOM 109 OE1 GLU A 7 8.157 10.246 14.709 1.00 0.00 O ATOM 110 OE2 GLU A 7 9.232 8.509 13.900 1.00 0.00 O ATOM 0 H GLU A 7 10.660 14.028 10.850 1.00 0.00 H new ATOM 0 HA GLU A 7 11.967 12.018 12.398 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.386 12.514 13.257 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.121 11.268 12.053 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.087 10.027 13.298 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.702 11.119 14.613 1.00 0.00 H new ATOM 117 N PHE A 8 12.172 10.977 10.175 1.00 0.00 N ATOM 118 CA PHE A 8 12.319 10.309 8.886 1.00 0.00 C ATOM 119 C PHE A 8 12.655 8.831 9.074 1.00 0.00 C ATOM 120 O PHE A 8 13.822 8.465 9.217 1.00 0.00 O ATOM 121 CB PHE A 8 13.412 10.990 8.060 1.00 0.00 C ATOM 122 CG PHE A 8 14.728 11.098 8.776 1.00 0.00 C ATOM 123 CD1 PHE A 8 14.920 12.053 9.761 1.00 0.00 C ATOM 124 CD2 PHE A 8 15.773 10.243 8.462 1.00 0.00 C ATOM 125 CE1 PHE A 8 16.129 12.154 10.422 1.00 0.00 C ATOM 126 CE2 PHE A 8 16.986 10.339 9.121 1.00 0.00 C ATOM 127 CZ PHE A 8 17.164 11.295 10.101 1.00 0.00 C ATOM 0 H PHE A 8 12.998 10.928 10.771 1.00 0.00 H new ATOM 0 HA PHE A 8 11.370 10.383 8.355 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.556 10.433 7.134 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.076 11.989 7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.115 12.727 10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 8 15.639 9.494 7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.266 12.903 11.188 1.00 0.00 H new ATOM 0 HE2 PHE A 8 17.793 9.667 8.869 1.00 0.00 H new ATOM 0 HZ PHE A 8 18.110 11.372 10.616 1.00 0.00 H new ATOM 137 N PRO A 9 11.633 7.956 9.075 1.00 0.00 N ATOM 138 CA PRO A 9 11.832 6.512 9.249 1.00 0.00 C ATOM 139 C PRO A 9 12.534 5.876 8.054 1.00 0.00 C ATOM 140 O PRO A 9 13.055 6.574 7.183 1.00 0.00 O ATOM 141 CB PRO A 9 10.406 5.968 9.382 1.00 0.00 C ATOM 142 CG PRO A 9 9.550 6.970 8.688 1.00 0.00 C ATOM 143 CD PRO A 9 10.209 8.302 8.911 1.00 0.00 C ATOM 0 HA PRO A 9 12.469 6.290 10.105 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.314 4.984 8.923 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.120 5.860 10.428 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.472 6.746 7.624 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.537 6.963 9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.053 8.974 8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.813 8.803 9.794 1.00 0.00 H new ATOM 151 N VAL A 10 12.548 4.547 8.021 1.00 0.00 N ATOM 152 CA VAL A 10 13.189 3.815 6.935 1.00 0.00 C ATOM 153 C VAL A 10 12.368 3.901 5.653 1.00 0.00 C ATOM 154 O VAL A 10 11.144 3.758 5.676 1.00 0.00 O ATOM 155 CB VAL A 10 13.398 2.334 7.305 1.00 0.00 C ATOM 156 CG1 VAL A 10 12.064 1.650 7.569 1.00 0.00 C ATOM 157 CG2 VAL A 10 14.171 1.611 6.212 1.00 0.00 C ATOM 0 H VAL A 10 12.122 3.955 8.734 1.00 0.00 H new ATOM 0 HA VAL A 10 14.161 4.280 6.769 1.00 0.00 H new ATOM 0 HB VAL A 10 13.986 2.291 8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.236 0.605 7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.556 2.150 8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.444 1.704 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.308 0.567 6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.615 1.665 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.145 2.082 6.083 1.00 0.00 H new ATOM 167 N GLU A 11 13.048 4.137 4.535 1.00 0.00 N ATOM 168 CA GLU A 11 12.386 4.243 3.241 1.00 0.00 C ATOM 169 C GLU A 11 11.673 2.940 2.882 1.00 0.00 C ATOM 170 O GLU A 11 12.319 1.925 2.621 1.00 0.00 O ATOM 171 CB GLU A 11 13.405 4.594 2.155 1.00 0.00 C ATOM 172 CG GLU A 11 14.672 3.760 2.219 1.00 0.00 C ATOM 173 CD GLU A 11 15.469 3.812 0.929 1.00 0.00 C ATOM 174 OE1 GLU A 11 14.846 3.864 -0.153 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.716 3.802 1.001 1.00 0.00 O ATOM 0 H GLU A 11 14.060 4.259 4.500 1.00 0.00 H new ATOM 0 HA GLU A 11 11.641 5.036 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.942 4.462 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.669 5.648 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.294 4.113 3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.411 2.725 2.439 1.00 0.00 H new ATOM 182 N PRO A 12 10.326 2.948 2.867 1.00 0.00 N ATOM 183 CA PRO A 12 9.527 1.766 2.543 1.00 0.00 C ATOM 184 C PRO A 12 10.053 1.012 1.329 1.00 0.00 C ATOM 185 O PRO A 12 10.985 1.453 0.658 1.00 0.00 O ATOM 186 CB PRO A 12 8.150 2.347 2.234 1.00 0.00 C ATOM 187 CG PRO A 12 8.069 3.590 3.049 1.00 0.00 C ATOM 188 CD PRO A 12 9.477 4.113 3.179 1.00 0.00 C ATOM 0 HA PRO A 12 9.538 1.041 3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.042 2.563 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.357 1.648 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.425 4.327 2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.641 3.383 4.030 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.661 4.936 2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.671 4.489 4.183 1.00 0.00 H new ATOM 196 N VAL A 13 9.439 -0.128 1.058 1.00 0.00 N ATOM 197 CA VAL A 13 9.825 -0.959 -0.075 1.00 0.00 C ATOM 198 C VAL A 13 11.245 -1.492 0.095 1.00 0.00 C ATOM 199 O VAL A 13 11.968 -1.679 -0.883 1.00 0.00 O ATOM 200 CB VAL A 13 9.734 -0.182 -1.402 1.00 0.00 C ATOM 201 CG1 VAL A 13 9.895 -1.123 -2.586 1.00 0.00 C ATOM 202 CG2 VAL A 13 8.416 0.574 -1.490 1.00 0.00 C ATOM 0 H VAL A 13 8.667 -0.502 1.609 1.00 0.00 H new ATOM 0 HA VAL A 13 9.126 -1.795 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 13 10.547 0.544 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.828 -0.555 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.866 -1.614 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.106 -1.875 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.370 1.117 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.587 -0.132 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.345 1.280 -0.662 1.00 0.00 H new ATOM 212 N GLY A 14 11.637 -1.733 1.341 1.00 0.00 N ATOM 213 CA GLY A 14 12.969 -2.241 1.613 1.00 0.00 C ATOM 214 C GLY A 14 12.970 -3.330 2.667 1.00 0.00 C ATOM 215 O GLY A 14 11.928 -3.905 2.977 1.00 0.00 O ATOM 0 H GLY A 14 11.057 -1.586 2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.401 -2.631 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.607 -1.421 1.942 1.00 0.00 H new ATOM 219 N GLU A 15 14.147 -3.615 3.217 1.00 0.00 N ATOM 220 CA GLU A 15 14.282 -4.643 4.243 1.00 0.00 C ATOM 221 C GLU A 15 13.458 -4.292 5.478 1.00 0.00 C ATOM 222 O GLU A 15 12.655 -5.097 5.950 1.00 0.00 O ATOM 223 CB GLU A 15 15.752 -4.818 4.630 1.00 0.00 C ATOM 224 CG GLU A 15 16.692 -4.864 3.436 1.00 0.00 C ATOM 225 CD GLU A 15 18.053 -5.433 3.790 1.00 0.00 C ATOM 226 OE1 GLU A 15 18.135 -6.649 4.063 1.00 0.00 O ATOM 227 OE2 GLU A 15 19.036 -4.662 3.794 1.00 0.00 O ATOM 0 H GLU A 15 15.020 -3.149 2.969 1.00 0.00 H new ATOM 0 HA GLU A 15 13.907 -5.581 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.048 -3.997 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.861 -5.738 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.243 -5.468 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.815 -3.858 3.036 1.00 0.00 H new ATOM 234 N LYS A 16 13.664 -3.085 5.997 1.00 0.00 N ATOM 235 CA LYS A 16 12.942 -2.628 7.178 1.00 0.00 C ATOM 236 C LYS A 16 11.543 -2.144 6.804 1.00 0.00 C ATOM 237 O LYS A 16 11.386 -1.116 6.145 1.00 0.00 O ATOM 238 CB LYS A 16 13.718 -1.505 7.870 1.00 0.00 C ATOM 239 CG LYS A 16 13.993 -1.776 9.340 1.00 0.00 C ATOM 240 CD LYS A 16 14.966 -0.762 9.921 1.00 0.00 C ATOM 241 CE LYS A 16 15.325 -1.094 11.360 1.00 0.00 C ATOM 242 NZ LYS A 16 16.619 -0.480 11.767 1.00 0.00 N ATOM 0 H LYS A 16 14.325 -2.407 5.618 1.00 0.00 H new ATOM 0 HA LYS A 16 12.844 -3.468 7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.666 -1.356 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.156 -0.576 7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.057 -1.745 9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.400 -2.780 9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.872 -0.738 9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.525 0.234 9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.533 -0.743 12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.384 -2.176 11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.827 -0.731 12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.380 -0.834 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.556 0.554 11.678 1.00 0.00 H new ATOM 256 N SER A 17 10.529 -2.893 7.228 1.00 0.00 N ATOM 257 CA SER A 17 9.145 -2.539 6.938 1.00 0.00 C ATOM 258 C SER A 17 8.180 -3.367 7.781 1.00 0.00 C ATOM 259 O SER A 17 8.445 -4.531 8.083 1.00 0.00 O ATOM 260 CB SER A 17 8.847 -2.746 5.452 1.00 0.00 C ATOM 261 OG SER A 17 9.478 -1.754 4.661 1.00 0.00 O ATOM 0 H SER A 17 10.641 -3.748 7.773 1.00 0.00 H new ATOM 0 HA SER A 17 9.006 -1.488 7.189 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.190 -3.734 5.144 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.770 -2.716 5.287 1.00 0.00 H new ATOM 0 HG SER A 17 9.900 -1.090 5.245 1.00 0.00 H new ATOM 267 N ASN A 18 7.061 -2.757 8.158 1.00 0.00 N ATOM 268 CA ASN A 18 6.054 -3.434 8.967 1.00 0.00 C ATOM 269 C ASN A 18 4.883 -3.888 8.102 1.00 0.00 C ATOM 270 O ASN A 18 4.826 -3.584 6.911 1.00 0.00 O ATOM 271 CB ASN A 18 5.558 -2.508 10.081 1.00 0.00 C ATOM 272 CG ASN A 18 5.941 -3.005 11.461 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.313 -3.913 12.003 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.980 -2.408 12.036 1.00 0.00 N ATOM 0 H ASN A 18 6.829 -1.794 7.916 1.00 0.00 H new ATOM 0 HA ASN A 18 6.512 -4.315 9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.970 -1.510 9.930 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.474 -2.418 10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.286 -2.699 12.964 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.471 -1.659 11.549 1.00 0.00 H new ATOM 281 N TYR A 19 3.950 -4.618 8.705 1.00 0.00 N ATOM 282 CA TYR A 19 2.782 -5.109 7.981 1.00 0.00 C ATOM 283 C TYR A 19 1.513 -4.934 8.808 1.00 0.00 C ATOM 284 O TYR A 19 1.367 -5.527 9.878 1.00 0.00 O ATOM 285 CB TYR A 19 2.954 -6.585 7.595 1.00 0.00 C ATOM 286 CG TYR A 19 4.375 -7.096 7.715 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.364 -6.672 6.836 1.00 0.00 C ATOM 288 CD2 TYR A 19 4.725 -8.001 8.709 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.661 -7.136 6.943 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.020 -8.470 8.822 1.00 0.00 C ATOM 291 CZ TYR A 19 6.983 -8.035 7.938 1.00 0.00 C ATOM 292 OH TYR A 19 8.274 -8.499 8.048 1.00 0.00 O ATOM 0 H TYR A 19 3.979 -4.882 9.690 1.00 0.00 H new ATOM 0 HA TYR A 19 2.689 -4.518 7.070 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.307 -7.192 8.228 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.616 -6.722 6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.115 -5.968 6.056 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.973 -8.344 9.405 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.418 -6.797 6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.276 -9.174 9.600 1.00 0.00 H new ATOM 0 HH TYR A 19 8.334 -9.124 8.800 1.00 0.00 H new ATOM 302 N ILE A 20 0.598 -4.116 8.301 1.00 0.00 N ATOM 303 CA ILE A 20 -0.664 -3.856 8.981 1.00 0.00 C ATOM 304 C ILE A 20 -1.621 -5.035 8.826 1.00 0.00 C ATOM 305 O ILE A 20 -2.149 -5.280 7.742 1.00 0.00 O ATOM 306 CB ILE A 20 -1.335 -2.579 8.428 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.502 -1.346 8.783 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.753 -2.437 8.962 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.619 -1.075 7.804 1.00 0.00 C ATOM 0 H ILE A 20 0.708 -3.619 7.417 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.441 -3.714 10.039 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.389 -2.663 7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.156 -0.475 8.825 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.080 -1.476 9.780 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.205 -1.531 8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.344 -3.302 8.660 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.728 -2.376 10.050 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.168 -0.187 8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.295 -1.930 7.779 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.203 -0.913 6.810 1.00 0.00 H new ATOM 321 N CYS A 21 -1.846 -5.753 9.920 1.00 0.00 N ATOM 322 CA CYS A 21 -2.747 -6.899 9.909 1.00 0.00 C ATOM 323 C CYS A 21 -4.198 -6.435 10.003 1.00 0.00 C ATOM 324 O CYS A 21 -4.540 -5.610 10.849 1.00 0.00 O ATOM 325 CB CYS A 21 -2.424 -7.843 11.068 1.00 0.00 C ATOM 326 SG CYS A 21 -3.218 -9.463 10.943 1.00 0.00 S ATOM 0 H CYS A 21 -1.417 -5.562 10.826 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.609 -7.436 8.970 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.344 -7.982 11.119 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.729 -7.372 12.002 1.00 0.00 H new ATOM 0 HG CYS A 21 -2.883 -10.191 11.967 1.00 0.00 H new ATOM 332 N HIS A 22 -5.043 -6.967 9.129 1.00 0.00 N ATOM 333 CA HIS A 22 -6.454 -6.598 9.117 1.00 0.00 C ATOM 334 C HIS A 22 -7.275 -7.589 8.296 1.00 0.00 C ATOM 335 O HIS A 22 -7.149 -7.648 7.074 1.00 0.00 O ATOM 336 CB HIS A 22 -6.627 -5.187 8.554 1.00 0.00 C ATOM 337 CG HIS A 22 -7.669 -4.382 9.267 1.00 0.00 C ATOM 338 ND1 HIS A 22 -7.874 -4.452 10.629 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.567 -3.481 8.799 1.00 0.00 C ATOM 340 CE1 HIS A 22 -8.854 -3.633 10.969 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.290 -3.032 9.877 1.00 0.00 N ATOM 0 H HIS A 22 -4.778 -7.653 8.422 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.816 -6.622 10.145 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.673 -4.663 8.610 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.891 -5.255 7.499 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.691 -3.174 7.771 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.233 -3.481 11.969 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.043 -2.345 9.840 1.00 0.00 H new ATOM 350 N LYS A 23 -8.126 -8.351 8.984 1.00 0.00 N ATOM 351 CA LYS A 23 -8.999 -9.343 8.348 1.00 0.00 C ATOM 352 C LYS A 23 -8.390 -9.942 7.079 1.00 0.00 C ATOM 353 O LYS A 23 -8.737 -9.544 5.966 1.00 0.00 O ATOM 354 CB LYS A 23 -10.356 -8.719 8.021 1.00 0.00 C ATOM 355 CG LYS A 23 -10.272 -7.260 7.598 1.00 0.00 C ATOM 356 CD LYS A 23 -11.401 -6.889 6.653 1.00 0.00 C ATOM 357 CE LYS A 23 -12.763 -7.101 7.295 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.678 -5.953 7.048 1.00 0.00 N ATOM 0 H LYS A 23 -8.231 -8.299 9.997 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.123 -10.156 9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.827 -9.293 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.002 -8.798 8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.310 -6.621 8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.314 -7.075 7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.298 -5.846 6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.329 -7.489 5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.211 -8.014 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.640 -7.243 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.596 -6.137 7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.262 -5.086 7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.816 -5.833 6.024 1.00 0.00 H new ATOM 372 N GLY A 24 -7.495 -10.909 7.252 1.00 0.00 N ATOM 373 CA GLY A 24 -6.871 -11.557 6.110 1.00 0.00 C ATOM 374 C GLY A 24 -6.057 -10.615 5.244 1.00 0.00 C ATOM 375 O GLY A 24 -5.667 -10.978 4.137 1.00 0.00 O ATOM 0 H GLY A 24 -7.190 -11.256 8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.224 -12.358 6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.645 -12.021 5.499 1.00 0.00 H new ATOM 379 N HIS A 25 -5.791 -9.407 5.736 1.00 0.00 N ATOM 380 CA HIS A 25 -5.015 -8.443 4.967 1.00 0.00 C ATOM 381 C HIS A 25 -3.787 -7.961 5.732 1.00 0.00 C ATOM 382 O HIS A 25 -3.864 -7.620 6.909 1.00 0.00 O ATOM 383 CB HIS A 25 -5.887 -7.249 4.554 1.00 0.00 C ATOM 384 CG HIS A 25 -5.983 -7.103 3.071 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.906 -6.316 2.412 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.251 -7.701 2.111 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.701 -6.471 1.092 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.703 -7.306 0.870 1.00 0.00 N ATOM 0 H HIS A 25 -6.097 -9.077 6.651 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.666 -8.953 4.069 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.887 -7.371 4.970 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.474 -6.335 4.981 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.614 -5.725 2.847 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.434 -8.386 2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.274 -5.980 0.320 1.00 0.00 H new ATOM 396 N GLU A 26 -2.650 -7.933 5.039 1.00 0.00 N ATOM 397 CA GLU A 26 -1.396 -7.489 5.634 1.00 0.00 C ATOM 398 C GLU A 26 -0.805 -6.337 4.827 1.00 0.00 C ATOM 399 O GLU A 26 0.178 -6.507 4.106 1.00 0.00 O ATOM 400 CB GLU A 26 -0.400 -8.649 5.710 1.00 0.00 C ATOM 401 CG GLU A 26 -0.225 -9.209 7.112 1.00 0.00 C ATOM 402 CD GLU A 26 0.073 -10.696 7.114 1.00 0.00 C ATOM 403 OE1 GLU A 26 1.239 -11.068 6.870 1.00 0.00 O ATOM 404 OE2 GLU A 26 -0.862 -11.488 7.358 1.00 0.00 O ATOM 0 H GLU A 26 -2.574 -8.214 4.061 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.598 -7.139 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.734 -9.448 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.568 -8.311 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.586 -8.679 7.612 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.131 -9.023 7.689 1.00 0.00 H new ATOM 411 N PHE A 27 -1.417 -5.165 4.955 1.00 0.00 N ATOM 412 CA PHE A 27 -0.962 -3.980 4.237 1.00 0.00 C ATOM 413 C PHE A 27 0.445 -3.591 4.668 1.00 0.00 C ATOM 414 O PHE A 27 0.917 -3.999 5.727 1.00 0.00 O ATOM 415 CB PHE A 27 -1.920 -2.807 4.454 1.00 0.00 C ATOM 416 CG PHE A 27 -3.370 -3.205 4.484 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.054 -3.467 3.308 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.046 -3.316 5.688 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.386 -3.832 3.334 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.378 -3.680 5.719 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.050 -3.939 4.540 1.00 0.00 C ATOM 0 H PHE A 27 -2.231 -5.010 5.550 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.946 -4.223 3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.669 -2.314 5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.770 -2.076 3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.541 -3.385 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.526 -3.116 6.613 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.908 -4.034 2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.894 -3.762 6.664 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.091 -4.224 4.562 1.00 0.00 H new ATOM 431 N ILE A 28 1.116 -2.811 3.831 1.00 0.00 N ATOM 432 CA ILE A 28 2.475 -2.377 4.120 1.00 0.00 C ATOM 433 C ILE A 28 2.608 -0.865 3.982 1.00 0.00 C ATOM 434 O ILE A 28 2.186 -0.284 2.982 1.00 0.00 O ATOM 435 CB ILE A 28 3.489 -3.057 3.184 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.139 -4.542 3.006 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.904 -2.886 3.720 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.603 -5.424 4.145 1.00 0.00 C ATOM 0 H ILE A 28 0.741 -2.466 2.947 1.00 0.00 H new ATOM 0 HA ILE A 28 2.690 -2.666 5.149 1.00 0.00 H new ATOM 0 HB ILE A 28 3.440 -2.579 2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.059 -4.640 2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.583 -4.901 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.609 -3.373 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.141 -1.824 3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.976 -3.338 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.318 -6.457 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.687 -5.358 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.138 -5.093 5.074 1.00 0.00 H new ATOM 450 N PRO A 29 3.199 -0.205 4.990 1.00 0.00 N ATOM 451 CA PRO A 29 3.384 1.247 4.981 1.00 0.00 C ATOM 452 C PRO A 29 4.403 1.704 3.948 1.00 0.00 C ATOM 453 O PRO A 29 5.588 1.384 4.046 1.00 0.00 O ATOM 454 CB PRO A 29 3.884 1.554 6.391 1.00 0.00 C ATOM 455 CG PRO A 29 4.514 0.288 6.857 1.00 0.00 C ATOM 456 CD PRO A 29 3.732 -0.823 6.216 1.00 0.00 C ATOM 0 HA PRO A 29 2.463 1.766 4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.602 2.374 6.386 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.064 1.852 7.045 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.564 0.244 6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.481 0.212 7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.365 -1.681 5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.933 -1.179 6.866 1.00 0.00 H new ATOM 464 N THR A 30 3.936 2.456 2.962 1.00 0.00 N ATOM 465 CA THR A 30 4.806 2.964 1.915 1.00 0.00 C ATOM 466 C THR A 30 4.236 4.242 1.303 1.00 0.00 C ATOM 467 O THR A 30 3.073 4.580 1.523 1.00 0.00 O ATOM 468 CB THR A 30 5.006 1.905 0.830 1.00 0.00 C ATOM 469 OG1 THR A 30 5.881 2.379 -0.180 1.00 0.00 O ATOM 470 CG2 THR A 30 3.716 1.485 0.161 1.00 0.00 C ATOM 0 H THR A 30 2.957 2.727 2.866 1.00 0.00 H new ATOM 0 HA THR A 30 5.772 3.200 2.362 1.00 0.00 H new ATOM 0 HB THR A 30 5.429 1.041 1.343 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.997 1.686 -0.864 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.928 0.732 -0.598 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.039 1.068 0.906 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.250 2.352 -0.308 1.00 0.00 H new ATOM 478 N LEU A 31 5.062 4.946 0.536 1.00 0.00 N ATOM 479 CA LEU A 31 4.641 6.185 -0.106 1.00 0.00 C ATOM 480 C LEU A 31 4.550 6.010 -1.618 1.00 0.00 C ATOM 481 O LEU A 31 5.157 5.101 -2.185 1.00 0.00 O ATOM 482 CB LEU A 31 5.618 7.313 0.232 1.00 0.00 C ATOM 483 CG LEU A 31 5.695 7.677 1.715 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.630 8.858 1.927 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.309 7.989 2.260 1.00 0.00 C ATOM 0 H LEU A 31 6.028 4.679 0.344 1.00 0.00 H new ATOM 0 HA LEU A 31 3.652 6.445 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.613 7.026 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.332 8.202 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 31 6.094 6.821 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.672 9.103 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.628 8.600 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.260 9.719 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.383 8.246 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.883 8.829 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.667 7.116 2.143 1.00 0.00 H new ATOM 497 N TYR A 32 3.786 6.883 -2.267 1.00 0.00 N ATOM 498 CA TYR A 32 3.614 6.820 -3.713 1.00 0.00 C ATOM 499 C TYR A 32 3.751 8.202 -4.343 1.00 0.00 C ATOM 500 O TYR A 32 2.989 9.117 -4.030 1.00 0.00 O ATOM 501 CB TYR A 32 2.251 6.220 -4.058 1.00 0.00 C ATOM 502 CG TYR A 32 2.173 4.730 -3.814 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.886 3.839 -4.605 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.386 4.215 -2.791 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.819 2.476 -4.384 1.00 0.00 C ATOM 506 CE2 TYR A 32 1.314 2.855 -2.562 1.00 0.00 C ATOM 507 CZ TYR A 32 2.032 1.989 -3.361 1.00 0.00 C ATOM 508 OH TYR A 32 1.962 0.634 -3.138 1.00 0.00 O ATOM 0 H TYR A 32 3.277 7.642 -1.814 1.00 0.00 H new ATOM 0 HA TYR A 32 4.399 6.181 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.483 6.718 -3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.028 6.421 -5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.503 4.217 -5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.821 4.890 -2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.380 1.796 -5.009 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.699 2.471 -1.762 1.00 0.00 H new ATOM 0 HH TYR A 32 2.868 0.267 -3.065 1.00 0.00 H new ATOM 518 N HIS A 33 4.728 8.344 -5.234 1.00 0.00 N ATOM 519 CA HIS A 33 4.967 9.613 -5.912 1.00 0.00 C ATOM 520 C HIS A 33 4.134 9.721 -7.187 1.00 0.00 C ATOM 521 O HIS A 33 3.949 10.814 -7.726 1.00 0.00 O ATOM 522 CB HIS A 33 6.453 9.761 -6.249 1.00 0.00 C ATOM 523 CG HIS A 33 7.321 9.995 -5.052 1.00 0.00 C ATOM 524 ND1 HIS A 33 7.088 9.407 -3.825 1.00 0.00 N ATOM 525 CD2 HIS A 33 8.430 10.757 -4.897 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.015 9.799 -2.970 1.00 0.00 C ATOM 527 NE2 HIS A 33 8.841 10.616 -3.595 1.00 0.00 N ATOM 0 H HIS A 33 5.367 7.596 -5.503 1.00 0.00 H new ATOM 0 HA HIS A 33 4.669 10.416 -5.238 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.792 8.861 -6.762 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.578 10.590 -6.945 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.903 11.363 -5.656 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.085 9.501 -1.934 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.654 11.070 -3.178 1.00 0.00 H new ATOM 536 N PHE A 34 3.634 8.586 -7.667 1.00 0.00 N ATOM 537 CA PHE A 34 2.821 8.559 -8.880 1.00 0.00 C ATOM 538 C PHE A 34 1.360 8.273 -8.550 1.00 0.00 C ATOM 539 O PHE A 34 1.032 7.886 -7.427 1.00 0.00 O ATOM 540 CB PHE A 34 3.352 7.510 -9.861 1.00 0.00 C ATOM 541 CG PHE A 34 3.890 6.273 -9.197 1.00 0.00 C ATOM 542 CD1 PHE A 34 3.033 5.352 -8.619 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.255 6.034 -9.154 1.00 0.00 C ATOM 544 CE1 PHE A 34 3.525 4.215 -8.008 1.00 0.00 C ATOM 545 CE2 PHE A 34 5.754 4.898 -8.546 1.00 0.00 C ATOM 546 CZ PHE A 34 4.888 3.986 -7.972 1.00 0.00 C ATOM 0 H PHE A 34 3.777 7.673 -7.235 1.00 0.00 H new ATOM 0 HA PHE A 34 2.884 9.542 -9.347 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.550 7.225 -10.543 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.140 7.958 -10.466 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.967 5.525 -8.646 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.936 6.744 -9.601 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.846 3.506 -7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.819 4.723 -8.519 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.275 3.097 -7.497 1.00 0.00 H new ATOM 556 N PRO A 35 0.457 8.463 -9.527 1.00 0.00 N ATOM 557 CA PRO A 35 -0.977 8.227 -9.336 1.00 0.00 C ATOM 558 C PRO A 35 -1.286 6.784 -8.951 1.00 0.00 C ATOM 559 O PRO A 35 -1.154 5.871 -9.766 1.00 0.00 O ATOM 560 CB PRO A 35 -1.586 8.554 -10.705 1.00 0.00 C ATOM 561 CG PRO A 35 -0.570 9.404 -11.388 1.00 0.00 C ATOM 562 CD PRO A 35 0.763 8.926 -10.891 1.00 0.00 C ATOM 0 HA PRO A 35 -1.377 8.831 -8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.788 7.646 -11.274 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.534 9.081 -10.599 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.642 9.305 -12.471 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.720 10.458 -11.153 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.161 8.123 -11.511 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.504 9.725 -10.890 1.00 0.00 H new ATOM 570 N THR A 36 -1.710 6.587 -7.705 1.00 0.00 N ATOM 571 CA THR A 36 -2.051 5.261 -7.211 1.00 0.00 C ATOM 572 C THR A 36 -3.521 5.218 -6.804 1.00 0.00 C ATOM 573 O THR A 36 -3.985 6.054 -6.029 1.00 0.00 O ATOM 574 CB THR A 36 -1.144 4.882 -6.031 1.00 0.00 C ATOM 575 OG1 THR A 36 0.093 4.375 -6.499 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.741 3.839 -5.108 1.00 0.00 C ATOM 0 H THR A 36 -1.825 7.333 -7.019 1.00 0.00 H new ATOM 0 HA THR A 36 -1.893 4.533 -8.007 1.00 0.00 H new ATOM 0 HB THR A 36 -1.016 5.805 -5.466 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.750 4.394 -5.772 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.041 3.625 -4.300 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.674 4.215 -4.689 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.937 2.926 -5.670 1.00 0.00 H new ATOM 584 N ASN A 37 -4.253 4.249 -7.342 1.00 0.00 N ATOM 585 CA ASN A 37 -5.674 4.111 -7.042 1.00 0.00 C ATOM 586 C ASN A 37 -5.900 3.256 -5.799 1.00 0.00 C ATOM 587 O ASN A 37 -5.564 2.072 -5.776 1.00 0.00 O ATOM 588 CB ASN A 37 -6.407 3.497 -8.235 1.00 0.00 C ATOM 589 CG ASN A 37 -5.848 2.141 -8.621 1.00 0.00 C ATOM 590 OD1 ASN A 37 -6.281 1.109 -8.109 1.00 0.00 O ATOM 591 ND2 ASN A 37 -4.880 2.138 -9.531 1.00 0.00 N ATOM 0 H ASN A 37 -3.887 3.548 -7.987 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.072 5.107 -6.846 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.465 3.396 -7.995 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.337 4.172 -9.088 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.465 1.256 -9.831 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.552 3.018 -9.929 1.00 0.00 H new ATOM 598 N CYS A 38 -6.484 3.865 -4.771 1.00 0.00 N ATOM 599 CA CYS A 38 -6.772 3.159 -3.528 1.00 0.00 C ATOM 600 C CYS A 38 -7.879 2.129 -3.754 1.00 0.00 C ATOM 601 O CYS A 38 -8.683 2.262 -4.678 1.00 0.00 O ATOM 602 CB CYS A 38 -7.156 4.167 -2.429 1.00 0.00 C ATOM 603 SG CYS A 38 -8.763 3.859 -1.613 1.00 0.00 S ATOM 0 H CYS A 38 -6.767 4.845 -4.775 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.881 2.625 -3.199 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.375 4.166 -1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.174 5.166 -2.865 1.00 0.00 H new ATOM 608 N GLU A 39 -7.910 1.099 -2.916 1.00 0.00 N ATOM 609 CA GLU A 39 -8.913 0.045 -3.037 1.00 0.00 C ATOM 610 C GLU A 39 -10.145 0.344 -2.185 1.00 0.00 C ATOM 611 O GLU A 39 -11.256 -0.064 -2.523 1.00 0.00 O ATOM 612 CB GLU A 39 -8.313 -1.302 -2.632 1.00 0.00 C ATOM 613 CG GLU A 39 -7.822 -2.128 -3.810 1.00 0.00 C ATOM 614 CD GLU A 39 -6.770 -1.405 -4.630 1.00 0.00 C ATOM 615 OE1 GLU A 39 -5.758 -0.967 -4.043 1.00 0.00 O ATOM 616 OE2 GLU A 39 -6.959 -1.275 -5.857 1.00 0.00 O ATOM 0 H GLU A 39 -7.253 0.970 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.227 0.003 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.482 -1.129 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.062 -1.874 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.409 -3.068 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.667 -2.379 -4.450 1.00 0.00 H new ATOM 623 N ALA A 40 -9.942 1.045 -1.076 1.00 0.00 N ATOM 624 CA ALA A 40 -11.039 1.384 -0.175 1.00 0.00 C ATOM 625 C ALA A 40 -12.051 2.313 -0.845 1.00 0.00 C ATOM 626 O ALA A 40 -13.023 1.852 -1.445 1.00 0.00 O ATOM 627 CB ALA A 40 -10.494 2.005 1.106 1.00 0.00 C ATOM 0 H ALA A 40 -9.029 1.390 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.565 0.463 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.322 2.254 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.832 1.295 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.939 2.911 0.863 1.00 0.00 H new ATOM 633 N CYS A 41 -11.828 3.622 -0.738 1.00 0.00 N ATOM 634 CA CYS A 41 -12.732 4.602 -1.331 1.00 0.00 C ATOM 635 C CYS A 41 -12.480 4.750 -2.829 1.00 0.00 C ATOM 636 O CYS A 41 -11.790 3.930 -3.437 1.00 0.00 O ATOM 637 CB CYS A 41 -12.584 5.959 -0.630 1.00 0.00 C ATOM 638 SG CYS A 41 -11.057 6.865 -1.047 1.00 0.00 S ATOM 0 H CYS A 41 -11.031 4.026 -0.247 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.752 4.243 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.442 6.581 -0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.615 5.802 0.448 1.00 0.00 H new ATOM 643 N MET A 42 -13.048 5.797 -3.419 1.00 0.00 N ATOM 644 CA MET A 42 -12.891 6.054 -4.846 1.00 0.00 C ATOM 645 C MET A 42 -11.863 7.153 -5.098 1.00 0.00 C ATOM 646 O MET A 42 -11.239 7.199 -6.158 1.00 0.00 O ATOM 647 CB MET A 42 -14.234 6.445 -5.464 1.00 0.00 C ATOM 648 CG MET A 42 -14.818 7.725 -4.889 1.00 0.00 C ATOM 649 SD MET A 42 -16.489 8.054 -5.483 1.00 0.00 S ATOM 650 CE MET A 42 -17.425 6.854 -4.538 1.00 0.00 C ATOM 0 H MET A 42 -13.623 6.483 -2.929 1.00 0.00 H new ATOM 0 HA MET A 42 -12.533 5.137 -5.315 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.108 6.564 -6.540 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.944 5.632 -5.314 1.00 0.00 H new ATOM 0 HG2 MET A 42 -14.830 7.658 -3.801 1.00 0.00 H new ATOM 0 HG3 MET A 42 -14.172 8.564 -5.150 1.00 0.00 H new ATOM 0 HE1 MET A 42 -18.490 7.070 -4.629 1.00 0.00 H new ATOM 0 HE2 MET A 42 -17.224 5.853 -4.920 1.00 0.00 H new ATOM 0 HE3 MET A 42 -17.132 6.908 -3.489 1.00 0.00 H new ATOM 660 N LYS A 43 -11.692 8.041 -4.122 1.00 0.00 N ATOM 661 CA LYS A 43 -10.740 9.141 -4.247 1.00 0.00 C ATOM 662 C LYS A 43 -9.350 8.624 -4.609 1.00 0.00 C ATOM 663 O LYS A 43 -8.995 7.493 -4.278 1.00 0.00 O ATOM 664 CB LYS A 43 -10.677 9.943 -2.946 1.00 0.00 C ATOM 665 CG LYS A 43 -11.718 11.048 -2.861 1.00 0.00 C ATOM 666 CD LYS A 43 -11.119 12.345 -2.339 1.00 0.00 C ATOM 667 CE LYS A 43 -10.532 12.170 -0.946 1.00 0.00 C ATOM 668 NZ LYS A 43 -9.137 12.684 -0.863 1.00 0.00 N ATOM 0 H LYS A 43 -12.199 8.020 -3.237 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.084 9.793 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.810 9.264 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.684 10.382 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.150 11.218 -3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.531 10.733 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.342 12.688 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.887 13.118 -2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.155 12.693 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.547 11.114 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.773 12.546 0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.536 12.168 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.126 13.698 -1.096 1.00 0.00 H new ATOM 682 N PRO A 44 -8.545 9.448 -5.299 1.00 0.00 N ATOM 683 CA PRO A 44 -7.188 9.070 -5.709 1.00 0.00 C ATOM 684 C PRO A 44 -6.227 8.973 -4.529 1.00 0.00 C ATOM 685 O PRO A 44 -6.449 9.581 -3.482 1.00 0.00 O ATOM 686 CB PRO A 44 -6.769 10.205 -6.645 1.00 0.00 C ATOM 687 CG PRO A 44 -7.582 11.375 -6.211 1.00 0.00 C ATOM 688 CD PRO A 44 -8.894 10.815 -5.735 1.00 0.00 C ATOM 0 HA PRO A 44 -7.166 8.084 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.702 10.412 -6.563 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.965 9.952 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.080 11.925 -5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.732 12.073 -7.035 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.309 11.404 -4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.639 10.805 -6.531 1.00 0.00 H new ATOM 696 N LEU A 45 -5.156 8.207 -4.712 1.00 0.00 N ATOM 697 CA LEU A 45 -4.155 8.030 -3.667 1.00 0.00 C ATOM 698 C LEU A 45 -2.752 8.295 -4.212 1.00 0.00 C ATOM 699 O LEU A 45 -2.185 7.460 -4.915 1.00 0.00 O ATOM 700 CB LEU A 45 -4.232 6.614 -3.090 1.00 0.00 C ATOM 701 CG LEU A 45 -3.440 6.396 -1.799 1.00 0.00 C ATOM 702 CD1 LEU A 45 -3.858 5.100 -1.126 1.00 0.00 C ATOM 703 CD2 LEU A 45 -1.948 6.385 -2.083 1.00 0.00 C ATOM 0 H LEU A 45 -4.959 7.699 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.361 8.748 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.278 6.371 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.872 5.912 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.658 7.222 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.283 4.964 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.920 5.141 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.671 4.264 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.402 6.229 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.716 5.579 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.654 7.339 -2.521 1.00 0.00 H new ATOM 715 N TRP A 46 -2.197 9.461 -3.881 1.00 0.00 N ATOM 716 CA TRP A 46 -0.855 9.835 -4.334 1.00 0.00 C ATOM 717 C TRP A 46 -0.535 11.281 -3.969 1.00 0.00 C ATOM 718 O TRP A 46 -1.333 11.964 -3.328 1.00 0.00 O ATOM 719 CB TRP A 46 -0.718 9.647 -5.848 1.00 0.00 C ATOM 720 CG TRP A 46 -1.756 10.385 -6.636 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.993 9.927 -6.996 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.650 11.711 -7.165 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.659 10.889 -7.717 1.00 0.00 N ATOM 724 CE2 TRP A 46 -2.857 11.994 -7.833 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.651 12.689 -7.136 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.090 13.211 -8.466 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -0.884 13.897 -7.767 1.00 0.00 C ATOM 728 CH2 TRP A 46 -2.095 14.150 -8.424 1.00 0.00 C ATOM 0 H TRP A 46 -2.655 10.164 -3.301 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.146 9.180 -3.828 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.271 9.983 -6.160 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.783 8.584 -6.082 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.389 8.953 -6.750 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.598 10.796 -8.103 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.285 12.504 -6.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.023 13.408 -8.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.119 14.659 -7.753 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.246 15.104 -8.907 1.00 0.00 H new ATOM 739 N HIS A 47 0.640 11.741 -4.391 1.00 0.00 N ATOM 740 CA HIS A 47 1.076 13.107 -4.120 1.00 0.00 C ATOM 741 C HIS A 47 2.435 13.375 -4.759 1.00 0.00 C ATOM 742 O HIS A 47 3.338 12.539 -4.692 1.00 0.00 O ATOM 743 CB HIS A 47 1.146 13.356 -2.611 1.00 0.00 C ATOM 744 CG HIS A 47 0.497 14.637 -2.187 1.00 0.00 C ATOM 745 ND1 HIS A 47 -0.782 14.699 -1.674 1.00 0.00 N ATOM 746 CD2 HIS A 47 0.957 15.911 -2.200 1.00 0.00 C ATOM 747 CE1 HIS A 47 -1.079 15.956 -1.391 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.041 16.709 -1.700 1.00 0.00 N ATOM 0 H HIS A 47 1.309 11.185 -4.924 1.00 0.00 H new ATOM 0 HA HIS A 47 0.347 13.790 -4.556 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.668 12.526 -2.091 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.191 13.367 -2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.928 16.238 -2.541 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.013 16.307 -0.977 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.011 17.721 -1.586 1.00 0.00 H new ATOM 757 N MET A 48 2.574 14.540 -5.381 1.00 0.00 N ATOM 758 CA MET A 48 3.823 14.912 -6.037 1.00 0.00 C ATOM 759 C MET A 48 4.787 15.567 -5.052 1.00 0.00 C ATOM 760 O MET A 48 5.991 15.312 -5.085 1.00 0.00 O ATOM 761 CB MET A 48 3.548 15.861 -7.205 1.00 0.00 C ATOM 762 CG MET A 48 2.776 15.216 -8.344 1.00 0.00 C ATOM 763 SD MET A 48 1.815 16.410 -9.295 1.00 0.00 S ATOM 764 CE MET A 48 0.752 17.081 -8.019 1.00 0.00 C ATOM 0 H MET A 48 1.838 15.243 -5.445 1.00 0.00 H new ATOM 0 HA MET A 48 4.286 14.001 -6.417 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.988 16.721 -6.839 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.497 16.237 -7.588 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.474 14.706 -9.008 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.107 14.456 -7.940 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.276 17.109 -8.380 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.808 16.452 -7.131 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.077 18.091 -7.769 1.00 0.00 H new ATOM 774 N PHE A 49 4.251 16.414 -4.180 1.00 0.00 N ATOM 775 CA PHE A 49 5.066 17.107 -3.190 1.00 0.00 C ATOM 776 C PHE A 49 5.310 16.230 -1.966 1.00 0.00 C ATOM 777 O PHE A 49 6.395 15.673 -1.796 1.00 0.00 O ATOM 778 CB PHE A 49 4.394 18.415 -2.770 1.00 0.00 C ATOM 779 CG PHE A 49 4.358 19.448 -3.860 1.00 0.00 C ATOM 780 CD1 PHE A 49 5.505 20.139 -4.214 1.00 0.00 C ATOM 781 CD2 PHE A 49 3.178 19.727 -4.530 1.00 0.00 C ATOM 782 CE1 PHE A 49 5.476 21.090 -5.217 1.00 0.00 C ATOM 783 CE2 PHE A 49 3.142 20.678 -5.532 1.00 0.00 C ATOM 784 CZ PHE A 49 4.293 21.361 -5.877 1.00 0.00 C ATOM 0 H PHE A 49 3.256 16.637 -4.139 1.00 0.00 H new ATOM 0 HA PHE A 49 6.030 17.331 -3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.375 18.203 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.922 18.825 -1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.433 19.933 -3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.276 19.195 -4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.378 21.621 -5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.215 20.887 -6.045 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.268 22.104 -6.660 1.00 0.00 H new ATOM 794 N LYS A 50 4.297 16.113 -1.114 1.00 0.00 N ATOM 795 CA LYS A 50 4.404 15.307 0.096 1.00 0.00 C ATOM 796 C LYS A 50 3.500 14.079 0.020 1.00 0.00 C ATOM 797 O LYS A 50 2.310 14.157 0.327 1.00 0.00 O ATOM 798 CB LYS A 50 4.039 16.146 1.323 1.00 0.00 C ATOM 799 CG LYS A 50 4.885 17.400 1.475 1.00 0.00 C ATOM 800 CD LYS A 50 6.199 17.104 2.178 1.00 0.00 C ATOM 801 CE LYS A 50 6.717 18.319 2.929 1.00 0.00 C ATOM 802 NZ LYS A 50 5.859 18.659 4.098 1.00 0.00 N ATOM 0 H LYS A 50 3.392 16.567 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 50 5.436 14.968 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.989 16.432 1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.148 15.533 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.085 17.826 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.330 18.149 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.062 16.276 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.940 16.785 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.735 18.128 3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.762 19.172 2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.408 19.220 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.038 19.211 3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.531 17.784 4.554 1.00 0.00 H new ATOM 816 N PRO A 51 4.052 12.921 -0.387 1.00 0.00 N ATOM 817 CA PRO A 51 3.280 11.678 -0.494 1.00 0.00 C ATOM 818 C PRO A 51 2.803 11.177 0.866 1.00 0.00 C ATOM 819 O PRO A 51 3.608 10.947 1.768 1.00 0.00 O ATOM 820 CB PRO A 51 4.275 10.688 -1.110 1.00 0.00 C ATOM 821 CG PRO A 51 5.618 11.237 -0.777 1.00 0.00 C ATOM 822 CD PRO A 51 5.463 12.732 -0.771 1.00 0.00 C ATOM 0 HA PRO A 51 2.374 11.811 -1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.144 9.688 -0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.137 10.609 -2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.958 10.876 0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.361 10.924 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.141 13.205 -0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.676 13.163 -1.749 1.00 0.00 H new ATOM 830 N PRO A 52 1.480 11.003 1.034 1.00 0.00 N ATOM 831 CA PRO A 52 0.901 10.528 2.295 1.00 0.00 C ATOM 832 C PRO A 52 1.239 9.066 2.570 1.00 0.00 C ATOM 833 O PRO A 52 1.571 8.314 1.654 1.00 0.00 O ATOM 834 CB PRO A 52 -0.604 10.698 2.082 1.00 0.00 C ATOM 835 CG PRO A 52 -0.789 10.642 0.606 1.00 0.00 C ATOM 836 CD PRO A 52 0.448 11.253 0.011 1.00 0.00 C ATOM 0 HA PRO A 52 1.287 11.077 3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.166 9.908 2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.956 11.646 2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.918 9.614 0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.680 11.192 0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.706 10.790 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.319 12.319 -0.177 1.00 0.00 H new ATOM 844 N PRO A 53 1.160 8.643 3.844 1.00 0.00 N ATOM 845 CA PRO A 53 1.458 7.263 4.236 1.00 0.00 C ATOM 846 C PRO A 53 0.427 6.274 3.705 1.00 0.00 C ATOM 847 O PRO A 53 -0.609 6.054 4.327 1.00 0.00 O ATOM 848 CB PRO A 53 1.417 7.309 5.766 1.00 0.00 C ATOM 849 CG PRO A 53 0.540 8.468 6.088 1.00 0.00 C ATOM 850 CD PRO A 53 0.771 9.476 4.997 1.00 0.00 C ATOM 0 HA PRO A 53 2.412 6.923 3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.017 6.383 6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.415 7.440 6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.507 8.167 6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.787 8.885 7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.128 10.057 4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.554 10.185 5.264 1.00 0.00 H new ATOM 858 N ALA A 54 0.721 5.678 2.553 1.00 0.00 N ATOM 859 CA ALA A 54 -0.181 4.710 1.942 1.00 0.00 C ATOM 860 C ALA A 54 0.141 3.298 2.409 1.00 0.00 C ATOM 861 O ALA A 54 1.222 3.040 2.937 1.00 0.00 O ATOM 862 CB ALA A 54 -0.102 4.801 0.425 1.00 0.00 C ATOM 0 H ALA A 54 1.577 5.849 2.025 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.199 4.945 2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.781 4.073 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.386 5.804 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.917 4.592 0.101 1.00 0.00 H new ATOM 868 N LEU A 55 -0.806 2.386 2.221 1.00 0.00 N ATOM 869 CA LEU A 55 -0.622 1.001 2.631 1.00 0.00 C ATOM 870 C LEU A 55 -0.823 0.047 1.459 1.00 0.00 C ATOM 871 O LEU A 55 -1.921 -0.058 0.913 1.00 0.00 O ATOM 872 CB LEU A 55 -1.587 0.650 3.765 1.00 0.00 C ATOM 873 CG LEU A 55 -1.619 1.652 4.919 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.558 1.174 6.014 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.217 1.867 5.474 1.00 0.00 C ATOM 0 H LEU A 55 -1.708 2.582 1.787 1.00 0.00 H new ATOM 0 HA LEU A 55 0.402 0.890 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.592 0.562 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.318 -0.329 4.161 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.991 2.604 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.568 1.900 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.565 1.068 5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.216 0.211 6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.256 2.583 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.180 0.919 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.431 2.253 4.687 1.00 0.00 H new ATOM 887 N GLU A 56 0.246 -0.645 1.077 1.00 0.00 N ATOM 888 CA GLU A 56 0.192 -1.591 -0.032 1.00 0.00 C ATOM 889 C GLU A 56 0.124 -3.027 0.476 1.00 0.00 C ATOM 890 O GLU A 56 0.877 -3.414 1.369 1.00 0.00 O ATOM 891 CB GLU A 56 1.413 -1.421 -0.936 1.00 0.00 C ATOM 892 CG GLU A 56 1.281 -2.130 -2.275 1.00 0.00 C ATOM 893 CD GLU A 56 2.622 -2.358 -2.948 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.416 -1.397 -3.030 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.878 -3.497 -3.391 1.00 0.00 O ATOM 0 H GLU A 56 1.162 -0.568 1.520 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.711 -1.383 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.580 -0.358 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.294 -1.801 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.785 -3.089 -2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.644 -1.540 -2.933 1.00 0.00 H new ATOM 902 N CYS A 57 -0.773 -3.817 -0.103 1.00 0.00 N ATOM 903 CA CYS A 57 -0.925 -5.211 0.293 1.00 0.00 C ATOM 904 C CYS A 57 0.213 -6.054 -0.271 1.00 0.00 C ATOM 905 O CYS A 57 0.581 -5.919 -1.438 1.00 0.00 O ATOM 906 CB CYS A 57 -2.275 -5.757 -0.185 1.00 0.00 C ATOM 907 SG CYS A 57 -2.523 -7.531 0.151 1.00 0.00 S ATOM 0 H CYS A 57 -1.404 -3.517 -0.846 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.891 -5.265 1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.074 -5.192 0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.365 -5.586 -1.258 1.00 0.00 H new ATOM 912 N ARG A 58 0.767 -6.925 0.565 1.00 0.00 N ATOM 913 CA ARG A 58 1.866 -7.788 0.149 1.00 0.00 C ATOM 914 C ARG A 58 1.344 -9.152 -0.301 1.00 0.00 C ATOM 915 O ARG A 58 2.028 -10.166 -0.164 1.00 0.00 O ATOM 916 CB ARG A 58 2.868 -7.955 1.294 1.00 0.00 C ATOM 917 CG ARG A 58 2.303 -8.698 2.495 1.00 0.00 C ATOM 918 CD ARG A 58 3.367 -8.930 3.560 1.00 0.00 C ATOM 919 NE ARG A 58 3.685 -10.347 3.716 1.00 0.00 N ATOM 920 CZ ARG A 58 4.575 -10.815 4.588 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.236 -9.983 5.383 1.00 0.00 N ATOM 922 NH2 ARG A 58 4.806 -12.118 4.665 1.00 0.00 N ATOM 0 H ARG A 58 0.474 -7.052 1.534 1.00 0.00 H new ATOM 0 HA ARG A 58 2.370 -7.319 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.743 -8.490 0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.209 -6.970 1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.478 -8.128 2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.895 -9.656 2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.271 -8.383 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.020 -8.529 4.512 1.00 0.00 H new ATOM 0 HE ARG A 58 3.196 -11.017 3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.063 -8.979 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.917 -10.347 6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.302 -12.762 4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.488 -12.476 5.333 1.00 0.00 H new ATOM 936 N ARG A 59 0.129 -9.163 -0.840 1.00 0.00 N ATOM 937 CA ARG A 59 -0.492 -10.395 -1.316 1.00 0.00 C ATOM 938 C ARG A 59 -1.156 -10.181 -2.679 1.00 0.00 C ATOM 939 O ARG A 59 -0.619 -10.590 -3.708 1.00 0.00 O ATOM 940 CB ARG A 59 -1.525 -10.894 -0.302 1.00 0.00 C ATOM 941 CG ARG A 59 -0.956 -11.124 1.090 1.00 0.00 C ATOM 942 CD ARG A 59 -1.895 -10.611 2.172 1.00 0.00 C ATOM 943 NE ARG A 59 -2.314 -11.674 3.083 1.00 0.00 N ATOM 944 CZ ARG A 59 -1.496 -12.277 3.943 1.00 0.00 C ATOM 945 NH1 ARG A 59 -0.217 -11.928 4.009 1.00 0.00 N ATOM 946 NH2 ARG A 59 -1.959 -13.233 4.737 1.00 0.00 N ATOM 0 H ARG A 59 -0.447 -8.330 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 59 0.289 -11.147 -1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.337 -10.169 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.958 -11.826 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.776 -12.189 1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.008 -10.623 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.399 -9.823 2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.774 -10.165 1.707 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.289 -11.971 3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.144 -11.194 3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.405 -12.393 4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.941 -13.505 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.333 -13.696 5.396 1.00 0.00 H new ATOM 960 N CYS A 60 -2.323 -9.538 -2.680 1.00 0.00 N ATOM 961 CA CYS A 60 -3.052 -9.271 -3.918 1.00 0.00 C ATOM 962 C CYS A 60 -2.588 -7.967 -4.571 1.00 0.00 C ATOM 963 O CYS A 60 -2.999 -7.645 -5.685 1.00 0.00 O ATOM 964 CB CYS A 60 -4.560 -9.210 -3.652 1.00 0.00 C ATOM 965 SG CYS A 60 -5.098 -7.749 -2.703 1.00 0.00 S ATOM 0 H CYS A 60 -2.783 -9.193 -1.838 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.842 -10.091 -4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.086 -9.222 -4.607 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.858 -10.109 -3.112 1.00 0.00 H new ATOM 970 N HIS A 61 -1.734 -7.220 -3.870 1.00 0.00 N ATOM 971 CA HIS A 61 -1.220 -5.952 -4.383 1.00 0.00 C ATOM 972 C HIS A 61 -2.324 -4.901 -4.462 1.00 0.00 C ATOM 973 O HIS A 61 -3.007 -4.777 -5.479 1.00 0.00 O ATOM 974 CB HIS A 61 -0.578 -6.145 -5.760 1.00 0.00 C ATOM 975 CG HIS A 61 0.587 -7.084 -5.751 1.00 0.00 C ATOM 976 ND1 HIS A 61 0.481 -8.417 -5.413 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.895 -6.877 -6.042 1.00 0.00 C ATOM 978 CE1 HIS A 61 1.669 -8.989 -5.496 1.00 0.00 C ATOM 979 NE2 HIS A 61 2.543 -8.076 -5.877 1.00 0.00 N ATOM 0 H HIS A 61 -1.384 -7.472 -2.946 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.459 -5.598 -3.687 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.331 -6.520 -6.453 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.251 -5.177 -6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.343 -5.943 -6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.888 -10.026 -5.288 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.539 -8.236 -6.025 1.00 0.00 H new ATOM 988 N ILE A 62 -2.481 -4.142 -3.382 1.00 0.00 N ATOM 989 CA ILE A 62 -3.489 -3.091 -3.318 1.00 0.00 C ATOM 990 C ILE A 62 -3.039 -1.975 -2.387 1.00 0.00 C ATOM 991 O ILE A 62 -2.555 -2.233 -1.287 1.00 0.00 O ATOM 992 CB ILE A 62 -4.849 -3.627 -2.833 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.714 -4.283 -1.459 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.412 -4.613 -3.838 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.848 -3.943 -0.516 1.00 0.00 C ATOM 0 H ILE A 62 -1.920 -4.237 -2.536 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.609 -2.706 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.538 -2.787 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.668 -5.365 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.771 -3.974 -1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.373 -4.985 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.547 -4.116 -4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.721 -5.448 -3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.688 -4.442 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.882 -2.865 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.792 -4.277 -0.946 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.189 -0.735 -2.830 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.777 0.401 -2.020 1.00 0.00 C ATOM 1009 C LYS A 63 -3.967 1.054 -1.326 1.00 0.00 C ATOM 1010 O LYS A 63 -5.076 1.081 -1.859 1.00 0.00 O ATOM 1011 CB LYS A 63 -2.042 1.436 -2.870 1.00 0.00 C ATOM 1012 CG LYS A 63 -1.144 0.826 -3.935 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.873 0.675 -5.262 1.00 0.00 C ATOM 1014 CE LYS A 63 -1.533 -0.643 -5.939 1.00 0.00 C ATOM 1015 NZ LYS A 63 -2.413 -0.912 -7.108 1.00 0.00 N ATOM 0 H LYS A 63 -3.589 -0.492 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.099 0.023 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.774 2.083 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.439 2.067 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.263 1.453 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.791 -0.149 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.949 0.733 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.607 1.502 -5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.493 -0.626 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.628 -1.456 -5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.148 -1.820 -7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.404 -0.954 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.304 -0.150 -7.807 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.721 1.580 -0.130 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.760 2.238 0.652 1.00 0.00 C ATOM 1031 C CYS A 64 -4.146 3.188 1.677 1.00 0.00 C ATOM 1032 O CYS A 64 -3.324 2.777 2.496 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.619 1.196 1.368 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.863 0.407 0.325 1.00 0.00 S ATOM 0 H CYS A 64 -2.806 1.562 0.320 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.385 2.815 -0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.966 0.426 1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.119 1.673 2.211 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.358 0.170 -0.849 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.545 4.458 1.631 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.017 5.458 2.566 1.00 0.00 C ATOM 1042 C HIS A 65 -4.048 4.936 3.991 1.00 0.00 C ATOM 1043 O HIS A 65 -5.041 4.358 4.432 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.801 6.786 2.528 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.795 6.898 1.418 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -5.719 7.778 0.357 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -6.926 6.204 1.243 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -6.805 7.578 -0.413 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.569 6.625 0.093 1.00 0.00 N ATOM 0 H HIS A 65 -5.226 4.820 0.963 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.992 5.648 2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.322 6.911 3.477 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.090 7.608 2.444 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.976 8.456 0.187 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.284 5.428 1.903 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.022 8.122 -1.320 1.00 0.00 H new ATOM 1057 N LYS A 66 -2.969 5.177 4.717 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.887 4.768 6.105 1.00 0.00 C ATOM 1059 C LYS A 66 -4.118 5.273 6.851 1.00 0.00 C ATOM 1060 O LYS A 66 -4.585 4.652 7.806 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.611 5.314 6.747 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.501 5.021 8.235 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.227 4.255 8.567 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.533 2.851 9.067 1.00 0.00 C ATOM 1065 NZ LYS A 66 -0.402 2.749 10.546 1.00 0.00 N ATOM 0 H LYS A 66 -2.139 5.654 4.366 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.854 3.680 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.747 4.887 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.571 6.392 6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.518 5.958 8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.367 4.443 8.557 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.405 4.197 7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.337 4.797 9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.545 2.573 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.144 2.141 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.618 1.777 10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.570 2.990 10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.066 3.408 11.000 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.634 6.416 6.394 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.811 7.029 6.999 1.00 0.00 C ATOM 1081 C ASP A 67 -6.966 6.035 7.124 1.00 0.00 C ATOM 1082 O ASP A 67 -7.614 5.967 8.168 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.253 8.242 6.175 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.869 9.554 6.828 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -6.245 9.765 8.001 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -5.194 10.370 6.168 1.00 0.00 O ATOM 0 H ASP A 67 -4.251 6.935 5.604 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.538 7.350 8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.804 8.188 5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.334 8.210 6.037 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.231 5.269 6.064 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.332 4.296 6.106 1.00 0.00 C ATOM 1093 C HIS A 68 -8.173 3.343 7.287 1.00 0.00 C ATOM 1094 O HIS A 68 -9.144 3.030 7.979 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.428 3.487 4.805 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.041 4.247 3.673 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.063 5.162 3.819 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.701 4.273 2.363 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.298 5.710 2.616 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.495 5.205 1.701 1.00 0.00 N ATOM 0 H HIS A 68 -6.715 5.298 5.185 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.253 4.866 6.225 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.429 3.161 4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.016 2.588 4.989 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.553 5.383 4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.935 3.666 1.904 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.046 6.465 2.424 1.00 0.00 H new ATOM 1108 N MET A 69 -6.949 2.883 7.513 1.00 0.00 N ATOM 1109 CA MET A 69 -6.666 1.965 8.610 1.00 0.00 C ATOM 1110 C MET A 69 -6.860 2.651 9.959 1.00 0.00 C ATOM 1111 O MET A 69 -7.526 2.120 10.846 1.00 0.00 O ATOM 1112 CB MET A 69 -5.238 1.428 8.500 1.00 0.00 C ATOM 1113 CG MET A 69 -4.857 0.474 9.622 1.00 0.00 C ATOM 1114 SD MET A 69 -5.919 -0.981 9.686 1.00 0.00 S ATOM 1115 CE MET A 69 -5.616 -1.692 8.071 1.00 0.00 C ATOM 0 H MET A 69 -6.135 3.131 6.951 1.00 0.00 H new ATOM 0 HA MET A 69 -7.366 1.132 8.542 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.124 0.916 7.545 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.543 2.267 8.496 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.822 0.158 9.490 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.910 1.000 10.575 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.537 -1.678 7.489 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.852 -1.111 7.555 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.274 -2.721 8.185 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.271 3.832 10.106 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.373 4.591 11.347 1.00 0.00 C ATOM 1127 C ASP A 70 -7.816 5.000 11.626 1.00 0.00 C ATOM 1128 O ASP A 70 -8.208 5.177 12.781 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.482 5.833 11.280 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.655 6.021 12.536 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -5.162 6.642 13.494 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -3.500 5.545 12.564 1.00 0.00 O ATOM 0 H ASP A 70 -5.717 4.286 9.380 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.037 3.950 12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.818 5.754 10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.104 6.714 11.123 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.602 5.155 10.565 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.999 5.551 10.701 1.00 0.00 C ATOM 1139 C LYS A 71 -10.906 4.337 10.892 1.00 0.00 C ATOM 1140 O LYS A 71 -12.037 4.467 11.360 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.444 6.345 9.471 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.609 7.588 9.216 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.314 8.845 9.704 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.345 9.803 10.378 1.00 0.00 C ATOM 1145 NZ LYS A 71 -9.225 9.534 11.838 1.00 0.00 N ATOM 0 H LYS A 71 -8.295 5.013 9.603 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.083 6.180 11.587 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.396 5.699 8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.487 6.637 9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.647 7.491 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.403 7.676 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.794 9.344 8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.103 8.572 10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.364 9.716 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.682 10.828 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.555 10.208 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.156 9.642 12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.879 8.564 11.985 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.411 3.158 10.524 1.00 0.00 N ATOM 1160 CA LYS A 72 -11.190 1.931 10.657 1.00 0.00 C ATOM 1161 C LYS A 72 -12.438 1.989 9.781 1.00 0.00 C ATOM 1162 O LYS A 72 -13.552 1.744 10.246 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.580 1.706 12.123 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.675 0.724 12.848 1.00 0.00 C ATOM 1165 CD LYS A 72 -9.214 1.125 12.732 1.00 0.00 C ATOM 1166 CE LYS A 72 -8.453 0.835 14.016 1.00 0.00 C ATOM 1167 NZ LYS A 72 -7.193 1.624 14.105 1.00 0.00 N ATOM 0 H LYS A 72 -9.478 3.027 10.133 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.575 1.095 10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.559 2.662 12.647 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.606 1.341 12.166 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.958 0.675 13.900 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.814 -0.275 12.434 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.752 0.586 11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.145 2.187 12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.086 1.064 14.873 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.220 -0.229 14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.704 1.398 14.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.577 1.387 13.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.417 2.639 14.082 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.242 2.317 8.509 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.347 2.412 7.563 1.00 0.00 C ATOM 1183 C GLU A 73 -13.767 1.030 7.074 1.00 0.00 C ATOM 1184 O GLU A 73 -12.951 0.269 6.554 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.952 3.288 6.374 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.594 4.714 6.761 1.00 0.00 C ATOM 1187 CD GLU A 73 -12.986 5.722 5.699 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.140 5.667 5.225 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.138 6.566 5.341 1.00 0.00 O ATOM 0 H GLU A 73 -11.326 2.522 8.109 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.194 2.867 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.101 2.834 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.775 3.310 5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.090 4.968 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.521 4.779 6.940 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.048 0.714 7.242 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.581 -0.575 6.813 1.00 0.00 C ATOM 1198 C GLU A 74 -15.340 -0.800 5.322 1.00 0.00 C ATOM 1199 O GLU A 74 -15.326 -1.936 4.849 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.079 -0.655 7.117 1.00 0.00 C ATOM 1201 CG GLU A 74 -17.924 0.295 6.281 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.410 0.036 6.430 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.967 0.362 7.499 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.019 -0.493 5.475 1.00 0.00 O ATOM 0 H GLU A 74 -15.736 1.333 7.672 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.060 -1.357 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.421 -1.676 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.239 -0.436 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.707 1.322 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.645 0.197 5.232 1.00 0.00 H new ATOM 1211 N ILE A 75 -15.154 0.293 4.588 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.915 0.227 3.151 1.00 0.00 C ATOM 1213 C ILE A 75 -13.808 -0.771 2.811 1.00 0.00 C ATOM 1214 O ILE A 75 -13.783 -1.336 1.718 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.544 1.612 2.589 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.228 2.103 3.204 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.669 2.602 2.864 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.914 3.553 2.901 1.00 0.00 C ATOM 0 H ILE A 75 -15.164 1.240 4.968 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.843 -0.111 2.690 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.406 1.532 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.271 1.969 4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.412 1.480 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.400 3.579 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.585 2.254 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.829 2.682 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.969 3.826 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.838 3.691 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.710 4.187 3.292 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.898 -0.986 3.758 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.796 -1.920 3.559 1.00 0.00 C ATOM 1232 C ILE A 76 -12.266 -3.361 3.718 1.00 0.00 C ATOM 1233 O ILE A 76 -12.983 -3.688 4.664 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.646 -1.651 4.552 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.169 -0.201 4.433 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.493 -2.618 4.316 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.042 0.145 5.383 1.00 0.00 C ATOM 0 H ILE A 76 -12.903 -0.526 4.669 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.430 -1.770 2.543 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.019 -1.810 5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.840 -0.018 3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.010 0.466 4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.693 -2.411 5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.843 -3.641 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.117 -2.495 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.755 1.187 5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.373 -0.006 6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.185 -0.497 5.180 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.856 -4.222 2.792 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.237 -5.628 2.838 1.00 0.00 C ATOM 1251 C ALA A 77 -11.015 -6.530 2.950 1.00 0.00 C ATOM 1252 O ALA A 77 -9.888 -6.104 2.692 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.046 -6.005 1.607 1.00 0.00 C ATOM 0 H ALA A 77 -11.261 -3.971 2.002 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.852 -5.772 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.321 -7.058 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.949 -5.396 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.449 -5.831 0.712 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.228 -7.797 3.334 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.144 -8.772 3.479 1.00 0.00 C ATOM 1261 C PRO A 78 -9.458 -9.082 2.153 1.00 0.00 C ATOM 1262 O PRO A 78 -9.973 -8.753 1.085 1.00 0.00 O ATOM 1263 CB PRO A 78 -10.850 -10.021 4.014 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.283 -9.853 3.643 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.543 -8.376 3.658 1.00 0.00 C ATOM 0 HA PRO A 78 -9.354 -8.400 4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.434 -10.927 3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.731 -10.108 5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.483 -10.274 2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.932 -10.371 4.349 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.299 -8.093 2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.901 -8.041 4.631 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.294 -9.722 2.230 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.536 -10.084 1.036 1.00 0.00 C ATOM 1275 C CYS A 79 -8.258 -11.170 0.244 1.00 0.00 C ATOM 1276 O CYS A 79 -8.928 -12.028 0.817 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.133 -10.558 1.420 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.919 -10.428 0.063 1.00 0.00 S ATOM 0 H CYS A 79 -7.855 -10.001 3.108 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.450 -9.198 0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.780 -9.972 2.269 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.187 -11.596 1.750 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.124 -11.121 -1.080 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.774 -12.098 -1.948 1.00 0.00 C ATOM 1285 C LYS A 80 -7.836 -13.251 -2.302 1.00 0.00 C ATOM 1286 O LYS A 80 -8.244 -14.412 -2.299 1.00 0.00 O ATOM 1287 CB LYS A 80 -9.278 -11.422 -3.226 1.00 0.00 C ATOM 1288 CG LYS A 80 -8.173 -10.803 -4.068 1.00 0.00 C ATOM 1289 CD LYS A 80 -7.698 -11.755 -5.155 1.00 0.00 C ATOM 1290 CE LYS A 80 -8.677 -11.810 -6.317 1.00 0.00 C ATOM 1291 NZ LYS A 80 -8.072 -11.294 -7.577 1.00 0.00 N ATOM 0 H LYS A 80 -7.573 -10.418 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.621 -12.511 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.813 -12.157 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.995 -10.647 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.535 -9.881 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.334 -10.534 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.720 -11.436 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.573 -12.753 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.006 -12.838 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.563 -11.224 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.771 -11.348 -8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.781 -10.305 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.241 -11.869 -7.824 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.585 -12.928 -2.613 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.605 -13.951 -2.974 1.00 0.00 C ATOM 1307 C VAL A 81 -5.330 -14.893 -1.806 1.00 0.00 C ATOM 1308 O VAL A 81 -4.937 -16.045 -2.005 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.277 -13.325 -3.445 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.505 -12.438 -4.659 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.618 -12.542 -2.321 1.00 0.00 C ATOM 0 H VAL A 81 -6.226 -11.973 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.037 -14.520 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.603 -14.132 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.556 -12.005 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.922 -13.033 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.200 -11.639 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.683 -12.110 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.285 -11.744 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.413 -13.210 -1.484 1.00 0.00 H new ATOM 1321 N TYR A 82 -5.534 -14.401 -0.587 1.00 0.00 N ATOM 1322 CA TYR A 82 -5.304 -15.203 0.611 1.00 0.00 C ATOM 1323 C TYR A 82 -6.112 -16.496 0.568 1.00 0.00 C ATOM 1324 O TYR A 82 -5.699 -17.516 1.120 1.00 0.00 O ATOM 1325 CB TYR A 82 -5.670 -14.403 1.862 1.00 0.00 C ATOM 1326 CG TYR A 82 -5.388 -15.135 3.154 1.00 0.00 C ATOM 1327 CD1 TYR A 82 -4.104 -15.565 3.466 1.00 0.00 C ATOM 1328 CD2 TYR A 82 -6.405 -15.399 4.062 1.00 0.00 C ATOM 1329 CE1 TYR A 82 -3.842 -16.235 4.646 1.00 0.00 C ATOM 1330 CE2 TYR A 82 -6.151 -16.070 5.244 1.00 0.00 C ATOM 1331 CZ TYR A 82 -4.869 -16.486 5.531 1.00 0.00 C ATOM 1332 OH TYR A 82 -4.611 -17.153 6.705 1.00 0.00 O ATOM 0 H TYR A 82 -5.858 -13.451 -0.403 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.245 -15.460 0.646 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.116 -13.465 1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.729 -14.148 1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.297 -15.372 2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.411 -15.075 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.838 -16.560 4.874 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.954 -16.267 5.939 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.441 -17.248 7.217 1.00 0.00 H new ATOM 1342 N TYR A 83 -7.265 -16.448 -0.091 1.00 0.00 N ATOM 1343 CA TYR A 83 -8.130 -17.617 -0.207 1.00 0.00 C ATOM 1344 C TYR A 83 -7.569 -18.610 -1.221 1.00 0.00 C ATOM 1345 O TYR A 83 -7.211 -19.733 -0.870 1.00 0.00 O ATOM 1346 CB TYR A 83 -9.541 -17.194 -0.617 1.00 0.00 C ATOM 1347 CG TYR A 83 -10.462 -16.941 0.556 1.00 0.00 C ATOM 1348 CD1 TYR A 83 -10.071 -16.120 1.606 1.00 0.00 C ATOM 1349 CD2 TYR A 83 -11.723 -17.523 0.612 1.00 0.00 C ATOM 1350 CE1 TYR A 83 -10.910 -15.887 2.679 1.00 0.00 C ATOM 1351 CE2 TYR A 83 -12.568 -17.294 1.682 1.00 0.00 C ATOM 1352 CZ TYR A 83 -12.157 -16.476 2.712 1.00 0.00 C ATOM 1353 OH TYR A 83 -12.994 -16.244 3.779 1.00 0.00 O ATOM 0 H TYR A 83 -7.622 -15.612 -0.553 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.173 -18.105 0.767 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.479 -16.289 -1.221 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.975 -17.970 -1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.096 -15.656 1.583 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -12.048 -18.165 -0.194 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -10.591 -15.247 3.488 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -13.545 -17.754 1.710 1.00 0.00 H new ATOM 0 HH TYR A 83 -13.834 -16.731 3.648 1.00 0.00 H new ATOM 1363 N ASP A 84 -7.494 -18.183 -2.479 1.00 0.00 N ATOM 1364 CA ASP A 84 -6.975 -19.029 -3.550 1.00 0.00 C ATOM 1365 C ASP A 84 -7.587 -20.429 -3.492 1.00 0.00 C ATOM 1366 O ASP A 84 -8.328 -20.830 -4.389 1.00 0.00 O ATOM 1367 CB ASP A 84 -5.450 -19.109 -3.452 1.00 0.00 C ATOM 1368 CG ASP A 84 -4.851 -20.141 -4.389 1.00 0.00 C ATOM 1369 OD1 ASP A 84 -5.265 -20.186 -5.566 1.00 0.00 O ATOM 1370 OD2 ASP A 84 -3.967 -20.904 -3.945 1.00 0.00 O ATOM 0 H ASP A 84 -7.787 -17.254 -2.782 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.251 -18.584 -4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.025 -18.131 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.169 -19.350 -2.427 1.00 0.00 H new TER 1375 ASP A 84 HETATM 1376 ZN ZN A 601 -4.620 -8.203 -0.506 1.00 1.00 ZN HETATM 1377 ZN ZN A 602 -9.288 5.637 -0.261 1.00 1.00 ZN