USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 469 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 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 50 THR OG1 : rot 180:sc=-0.000637 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 1 GLY N :NH3+ -152:sc=0.000495 (180deg=0) USER MOD Single : A 2 SER OG : rot 18:sc= 0.406 USER MOD Single : A 3 SER OG : rot 38:sc= 0.19 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0274 K(o=-0.027,f=-1) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.5) USER MOD Single : A 23 GLN : amide:sc= 0.168 X(o=0.17,f=0) USER MOD Single : A 25 SER OG : rot 27:sc= 0.0034 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -176:sc= -0.381 (180deg=-0.446) USER MOD Single : A 34 ASN : amide:sc= -1.96 K(o=-2,f=-3.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0968) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= -0.198 (180deg=-0.461) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -4.32! C(o=-4.3!,f=-7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.534 23.274 -8.030 1.00 0.00 N ATOM 2 CA GLY A 1 -11.008 23.189 -9.380 1.00 0.00 C ATOM 3 C GLY A 1 -9.513 22.942 -9.405 1.00 0.00 C ATOM 4 O GLY A 1 -8.999 22.127 -8.640 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.529 22.972 -8.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.981 22.655 -7.403 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.469 24.256 -7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.515 22.385 -9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.229 24.114 -9.912 1.00 0.00 H new ATOM 8 N SER A 2 -8.813 23.647 -10.288 1.00 0.00 N ATOM 9 CA SER A 2 -7.368 23.497 -10.413 1.00 0.00 C ATOM 10 C SER A 2 -6.675 24.855 -10.380 1.00 0.00 C ATOM 11 O SER A 2 -7.015 25.757 -11.146 1.00 0.00 O ATOM 12 CB SER A 2 -7.021 22.767 -11.713 1.00 0.00 C ATOM 13 OG SER A 2 -7.294 23.578 -12.842 1.00 0.00 O ATOM 0 H SER A 2 -9.223 24.328 -10.927 1.00 0.00 H new ATOM 0 HA SER A 2 -7.015 22.908 -9.567 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.967 22.489 -11.707 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.594 21.842 -11.779 1.00 0.00 H new ATOM 0 HG SER A 2 -7.371 24.514 -12.562 1.00 0.00 H new ATOM 19 N SER A 3 -5.701 24.994 -9.486 1.00 0.00 N ATOM 20 CA SER A 3 -4.962 26.243 -9.348 1.00 0.00 C ATOM 21 C SER A 3 -3.554 25.986 -8.820 1.00 0.00 C ATOM 22 O SER A 3 -3.377 25.439 -7.732 1.00 0.00 O ATOM 23 CB SER A 3 -5.704 27.199 -8.412 1.00 0.00 C ATOM 24 OG SER A 3 -6.012 26.569 -7.180 1.00 0.00 O ATOM 0 H SER A 3 -5.405 24.257 -8.846 1.00 0.00 H new ATOM 0 HA SER A 3 -4.883 26.700 -10.334 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.092 28.082 -8.229 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.623 27.541 -8.889 1.00 0.00 H new ATOM 0 HG SER A 3 -5.267 25.992 -6.912 1.00 0.00 H new ATOM 30 N GLY A 4 -2.554 26.386 -9.599 1.00 0.00 N ATOM 31 CA GLY A 4 -1.174 26.191 -9.194 1.00 0.00 C ATOM 32 C GLY A 4 -0.855 26.870 -7.877 1.00 0.00 C ATOM 33 O GLY A 4 -1.374 27.947 -7.584 1.00 0.00 O ATOM 0 H GLY A 4 -2.675 26.842 -10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.971 25.124 -9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.513 26.579 -9.969 1.00 0.00 H new ATOM 37 N SER A 5 0.002 26.239 -7.080 1.00 0.00 N ATOM 38 CA SER A 5 0.385 26.786 -5.784 1.00 0.00 C ATOM 39 C SER A 5 1.805 27.344 -5.829 1.00 0.00 C ATOM 40 O SER A 5 2.759 26.673 -5.436 1.00 0.00 O ATOM 41 CB SER A 5 0.281 25.710 -4.701 1.00 0.00 C ATOM 42 OG SER A 5 0.787 26.181 -3.464 1.00 0.00 O ATOM 0 H SER A 5 0.444 25.349 -7.309 1.00 0.00 H new ATOM 0 HA SER A 5 -0.299 27.600 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.760 25.410 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.835 24.824 -5.010 1.00 0.00 H new ATOM 0 HG SER A 5 0.708 25.476 -2.788 1.00 0.00 H new ATOM 48 N SER A 6 1.935 28.576 -6.310 1.00 0.00 N ATOM 49 CA SER A 6 3.238 29.223 -6.410 1.00 0.00 C ATOM 50 C SER A 6 3.844 29.440 -5.027 1.00 0.00 C ATOM 51 O SER A 6 3.129 29.523 -4.030 1.00 0.00 O ATOM 52 CB SER A 6 3.111 30.562 -7.140 1.00 0.00 C ATOM 53 OG SER A 6 2.596 30.383 -8.448 1.00 0.00 O ATOM 0 H SER A 6 1.155 29.146 -6.636 1.00 0.00 H new ATOM 0 HA SER A 6 3.899 28.569 -6.978 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.457 31.227 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.087 31.045 -7.193 1.00 0.00 H new ATOM 0 HG SER A 6 2.523 31.253 -8.893 1.00 0.00 H new ATOM 59 N GLY A 7 5.170 29.532 -4.977 1.00 0.00 N ATOM 60 CA GLY A 7 5.852 29.738 -3.712 1.00 0.00 C ATOM 61 C GLY A 7 6.309 28.438 -3.081 1.00 0.00 C ATOM 62 O GLY A 7 6.427 27.418 -3.761 1.00 0.00 O ATOM 0 H GLY A 7 5.784 29.468 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.715 30.385 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.185 30.258 -3.024 1.00 0.00 H new ATOM 66 N ASP A 8 6.569 28.473 -1.779 1.00 0.00 N ATOM 67 CA ASP A 8 7.017 27.289 -1.056 1.00 0.00 C ATOM 68 C ASP A 8 6.158 27.051 0.182 1.00 0.00 C ATOM 69 O ASP A 8 6.327 27.717 1.204 1.00 0.00 O ATOM 70 CB ASP A 8 8.485 27.436 -0.654 1.00 0.00 C ATOM 71 CG ASP A 8 8.806 28.822 -0.132 1.00 0.00 C ATOM 72 OD1 ASP A 8 8.510 29.096 1.050 1.00 0.00 O ATOM 73 OD2 ASP A 8 9.355 29.634 -0.906 1.00 0.00 O ATOM 0 H ASP A 8 6.477 29.309 -1.202 1.00 0.00 H new ATOM 0 HA ASP A 8 6.915 26.429 -1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.725 26.698 0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.118 27.219 -1.515 1.00 0.00 H new ATOM 78 N MET A 9 5.237 26.099 0.084 1.00 0.00 N ATOM 79 CA MET A 9 4.352 25.773 1.196 1.00 0.00 C ATOM 80 C MET A 9 4.538 24.324 1.633 1.00 0.00 C ATOM 81 O MET A 9 4.703 23.420 0.813 1.00 0.00 O ATOM 82 CB MET A 9 2.893 26.018 0.804 1.00 0.00 C ATOM 83 CG MET A 9 2.507 27.488 0.786 1.00 0.00 C ATOM 84 SD MET A 9 3.124 28.349 -0.673 1.00 0.00 S ATOM 85 CE MET A 9 3.587 29.928 0.037 1.00 0.00 C ATOM 0 H MET A 9 5.084 25.539 -0.755 1.00 0.00 H new ATOM 0 HA MET A 9 4.609 26.421 2.034 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.714 25.592 -0.183 1.00 0.00 H new ATOM 0 HB3 MET A 9 2.244 25.489 1.502 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.421 27.575 0.823 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.896 27.973 1.681 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.988 30.574 -0.744 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.710 30.398 0.482 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.345 29.773 0.805 1.00 0.00 H new ATOM 95 N PRO A 10 4.510 24.094 2.954 1.00 0.00 N ATOM 96 CA PRO A 10 4.673 22.756 3.529 1.00 0.00 C ATOM 97 C PRO A 10 3.476 21.854 3.248 1.00 0.00 C ATOM 98 O PRO A 10 2.555 22.235 2.525 1.00 0.00 O ATOM 99 CB PRO A 10 4.798 23.027 5.030 1.00 0.00 C ATOM 100 CG PRO A 10 4.092 24.322 5.241 1.00 0.00 C ATOM 101 CD PRO A 10 4.316 25.124 3.989 1.00 0.00 C ATOM 0 HA PRO A 10 5.529 22.232 3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.343 22.228 5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.842 23.091 5.335 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.028 24.162 5.417 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.485 24.843 6.114 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.463 25.764 3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.187 25.773 4.078 1.00 0.00 H new ATOM 109 N VAL A 11 3.494 20.656 3.824 1.00 0.00 N ATOM 110 CA VAL A 11 2.409 19.701 3.637 1.00 0.00 C ATOM 111 C VAL A 11 1.058 20.336 3.948 1.00 0.00 C ATOM 112 O VAL A 11 0.989 21.451 4.464 1.00 0.00 O ATOM 113 CB VAL A 11 2.597 18.457 4.526 1.00 0.00 C ATOM 114 CG1 VAL A 11 3.875 17.723 4.153 1.00 0.00 C ATOM 115 CG2 VAL A 11 2.606 18.849 5.995 1.00 0.00 C ATOM 0 H VAL A 11 4.249 20.324 4.424 1.00 0.00 H new ATOM 0 HA VAL A 11 2.431 19.397 2.590 1.00 0.00 H new ATOM 0 HB VAL A 11 1.757 17.782 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.991 16.847 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.823 17.408 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.729 18.387 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.740 17.958 6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.425 19.544 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.660 19.326 6.250 1.00 0.00 H new ATOM 125 N ASP A 12 -0.014 19.617 3.632 1.00 0.00 N ATOM 126 CA ASP A 12 -1.364 20.109 3.880 1.00 0.00 C ATOM 127 C ASP A 12 -2.384 18.981 3.760 1.00 0.00 C ATOM 128 O ASP A 12 -2.130 17.945 3.145 1.00 0.00 O ATOM 129 CB ASP A 12 -1.708 21.232 2.900 1.00 0.00 C ATOM 130 CG ASP A 12 -0.994 21.080 1.571 1.00 0.00 C ATOM 131 OD1 ASP A 12 -1.135 20.011 0.941 1.00 0.00 O ATOM 132 OD2 ASP A 12 -0.295 22.030 1.162 1.00 0.00 O ATOM 0 H ASP A 12 0.026 18.692 3.204 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.401 20.501 4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.785 21.246 2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.443 22.192 3.344 1.00 0.00 H new ATOM 137 N PRO A 13 -3.565 19.184 4.362 1.00 0.00 N ATOM 138 CA PRO A 13 -4.647 18.195 4.337 1.00 0.00 C ATOM 139 C PRO A 13 -5.267 18.050 2.951 1.00 0.00 C ATOM 140 O PRO A 13 -5.911 17.045 2.652 1.00 0.00 O ATOM 141 CB PRO A 13 -5.670 18.763 5.324 1.00 0.00 C ATOM 142 CG PRO A 13 -5.415 20.231 5.331 1.00 0.00 C ATOM 143 CD PRO A 13 -3.936 20.395 5.113 1.00 0.00 C ATOM 0 HA PRO A 13 -4.293 17.197 4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.690 18.540 5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.542 18.334 6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.983 20.730 4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.722 20.676 6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.711 21.301 4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.396 20.463 6.057 1.00 0.00 H new ATOM 151 N ASN A 14 -5.068 19.059 2.110 1.00 0.00 N ATOM 152 CA ASN A 14 -5.608 19.043 0.755 1.00 0.00 C ATOM 153 C ASN A 14 -4.939 17.959 -0.084 1.00 0.00 C ATOM 154 O ASN A 14 -5.592 17.286 -0.881 1.00 0.00 O ATOM 155 CB ASN A 14 -5.418 20.408 0.092 1.00 0.00 C ATOM 156 CG ASN A 14 -6.580 21.346 0.356 1.00 0.00 C ATOM 157 OD1 ASN A 14 -7.409 21.094 1.230 1.00 0.00 O ATOM 158 ND2 ASN A 14 -6.645 22.435 -0.402 1.00 0.00 N ATOM 0 H ASN A 14 -4.537 19.898 2.342 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.674 18.823 0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.498 20.862 0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.300 20.273 -0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.405 23.103 -0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.935 22.603 -1.115 1.00 0.00 H new ATOM 165 N GLU A 15 -3.633 17.796 0.101 1.00 0.00 N ATOM 166 CA GLU A 15 -2.875 16.794 -0.640 1.00 0.00 C ATOM 167 C GLU A 15 -3.620 15.463 -0.671 1.00 0.00 C ATOM 168 O GLU A 15 -4.140 14.990 0.340 1.00 0.00 O ATOM 169 CB GLU A 15 -1.492 16.603 -0.015 1.00 0.00 C ATOM 170 CG GLU A 15 -0.426 17.510 -0.606 1.00 0.00 C ATOM 171 CD GLU A 15 0.747 17.720 0.331 1.00 0.00 C ATOM 172 OE1 GLU A 15 0.570 18.407 1.359 1.00 0.00 O ATOM 173 OE2 GLU A 15 1.843 17.198 0.037 1.00 0.00 O ATOM 0 H GLU A 15 -3.078 18.345 0.757 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.756 17.149 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.559 16.786 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.185 15.565 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.067 17.080 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.870 18.476 -0.849 1.00 0.00 H new ATOM 180 N PRO A 16 -3.674 14.843 -1.859 1.00 0.00 N ATOM 181 CA PRO A 16 -4.352 13.558 -2.052 1.00 0.00 C ATOM 182 C PRO A 16 -3.616 12.407 -1.375 1.00 0.00 C ATOM 183 O PRO A 16 -2.420 12.207 -1.592 1.00 0.00 O ATOM 184 CB PRO A 16 -4.345 13.377 -3.572 1.00 0.00 C ATOM 185 CG PRO A 16 -3.180 14.177 -4.043 1.00 0.00 C ATOM 186 CD PRO A 16 -3.077 15.349 -3.106 1.00 0.00 C ATOM 0 HA PRO A 16 -5.350 13.554 -1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.241 12.327 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.275 13.731 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.266 13.583 -4.027 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.325 14.510 -5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.042 15.657 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.616 16.216 -3.487 1.00 0.00 H new ATOM 194 N THR A 17 -4.337 11.651 -0.553 1.00 0.00 N ATOM 195 CA THR A 17 -3.753 10.520 0.156 1.00 0.00 C ATOM 196 C THR A 17 -4.414 9.210 -0.257 1.00 0.00 C ATOM 197 O THR A 17 -5.640 9.118 -0.328 1.00 0.00 O ATOM 198 CB THR A 17 -3.880 10.687 1.682 1.00 0.00 C ATOM 199 OG1 THR A 17 -5.181 11.183 2.014 1.00 0.00 O ATOM 200 CG2 THR A 17 -2.818 11.639 2.212 1.00 0.00 C ATOM 0 H THR A 17 -5.327 11.802 -0.362 1.00 0.00 H new ATOM 0 HA THR A 17 -2.697 10.491 -0.113 1.00 0.00 H new ATOM 0 HB THR A 17 -3.735 9.711 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.254 11.285 2.986 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.927 11.741 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.828 11.244 1.983 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.937 12.615 1.741 1.00 0.00 H new ATOM 208 N TYR A 18 -3.596 8.199 -0.526 1.00 0.00 N ATOM 209 CA TYR A 18 -4.103 6.894 -0.934 1.00 0.00 C ATOM 210 C TYR A 18 -3.760 5.828 0.103 1.00 0.00 C ATOM 211 O TYR A 18 -4.637 5.326 0.807 1.00 0.00 O ATOM 212 CB TYR A 18 -3.524 6.501 -2.295 1.00 0.00 C ATOM 213 CG TYR A 18 -3.769 7.529 -3.376 1.00 0.00 C ATOM 214 CD1 TYR A 18 -2.867 8.563 -3.597 1.00 0.00 C ATOM 215 CD2 TYR A 18 -4.903 7.468 -4.176 1.00 0.00 C ATOM 216 CE1 TYR A 18 -3.086 9.505 -4.583 1.00 0.00 C ATOM 217 CE2 TYR A 18 -5.131 8.405 -5.166 1.00 0.00 C ATOM 218 CZ TYR A 18 -4.219 9.421 -5.365 1.00 0.00 C ATOM 219 OH TYR A 18 -4.443 10.357 -6.349 1.00 0.00 O ATOM 0 H TYR A 18 -2.579 8.258 -0.469 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.188 6.963 -1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.450 6.343 -2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.958 5.550 -2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.979 8.631 -2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.619 6.674 -4.022 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.375 10.302 -4.741 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.017 8.342 -5.780 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.284 10.154 -6.809 1.00 0.00 H new ATOM 229 N CYS A 19 -2.479 5.489 0.192 1.00 0.00 N ATOM 230 CA CYS A 19 -2.018 4.484 1.142 1.00 0.00 C ATOM 231 C CYS A 19 -2.727 4.638 2.484 1.00 0.00 C ATOM 232 O CYS A 19 -3.303 5.687 2.778 1.00 0.00 O ATOM 233 CB CYS A 19 -0.504 4.593 1.337 1.00 0.00 C ATOM 234 SG CYS A 19 0.140 3.604 2.725 1.00 0.00 S ATOM 0 H CYS A 19 -1.741 5.896 -0.383 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.256 3.501 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.007 4.279 0.419 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.244 5.639 1.499 1.00 0.00 H new ATOM 239 N LEU A 20 -2.681 3.587 3.295 1.00 0.00 N ATOM 240 CA LEU A 20 -3.318 3.605 4.608 1.00 0.00 C ATOM 241 C LEU A 20 -2.727 4.704 5.485 1.00 0.00 C ATOM 242 O LEU A 20 -3.456 5.446 6.144 1.00 0.00 O ATOM 243 CB LEU A 20 -3.157 2.247 5.293 1.00 0.00 C ATOM 244 CG LEU A 20 -3.890 1.075 4.640 1.00 0.00 C ATOM 245 CD1 LEU A 20 -3.010 0.413 3.591 1.00 0.00 C ATOM 246 CD2 LEU A 20 -4.321 0.063 5.692 1.00 0.00 C ATOM 0 H LEU A 20 -2.210 2.712 3.067 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.379 3.810 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.095 2.007 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.504 2.338 6.322 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.783 1.459 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.548 -0.419 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.751 1.141 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.099 0.042 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.841 -0.764 5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.442 -0.316 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.989 0.544 6.407 1.00 0.00 H new ATOM 258 N CYS A 21 -1.402 4.804 5.487 1.00 0.00 N ATOM 259 CA CYS A 21 -0.712 5.812 6.282 1.00 0.00 C ATOM 260 C CYS A 21 -1.240 7.209 5.966 1.00 0.00 C ATOM 261 O CYS A 21 -0.980 8.164 6.698 1.00 0.00 O ATOM 262 CB CYS A 21 0.795 5.754 6.022 1.00 0.00 C ATOM 263 SG CYS A 21 1.279 6.266 4.342 1.00 0.00 S ATOM 0 H CYS A 21 -0.784 4.198 4.946 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.901 5.600 7.334 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.303 6.392 6.745 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.144 4.736 6.195 1.00 0.00 H new ATOM 268 N HIS A 22 -1.984 7.320 4.870 1.00 0.00 N ATOM 269 CA HIS A 22 -2.550 8.599 4.456 1.00 0.00 C ATOM 270 C HIS A 22 -1.449 9.578 4.062 1.00 0.00 C ATOM 271 O HIS A 22 -1.371 10.686 4.593 1.00 0.00 O ATOM 272 CB HIS A 22 -3.398 9.193 5.581 1.00 0.00 C ATOM 273 CG HIS A 22 -4.504 8.293 6.037 1.00 0.00 C ATOM 274 ND1 HIS A 22 -5.574 7.951 5.237 1.00 0.00 N ATOM 275 CD2 HIS A 22 -4.702 7.660 7.217 1.00 0.00 C ATOM 276 CE1 HIS A 22 -6.383 7.150 5.907 1.00 0.00 C ATOM 277 NE2 HIS A 22 -5.876 6.957 7.111 1.00 0.00 N ATOM 0 H HIS A 22 -2.209 6.540 4.253 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.184 8.424 3.587 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.753 9.421 6.430 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.825 10.137 5.243 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.056 7.701 8.082 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.303 6.725 5.533 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.290 6.379 7.843 1.00 0.00 H new ATOM 286 N GLN A 23 -0.599 9.162 3.128 1.00 0.00 N ATOM 287 CA GLN A 23 0.498 10.002 2.664 1.00 0.00 C ATOM 288 C GLN A 23 0.319 10.370 1.195 1.00 0.00 C ATOM 289 O GLN A 23 -0.609 9.901 0.535 1.00 0.00 O ATOM 290 CB GLN A 23 1.836 9.287 2.864 1.00 0.00 C ATOM 291 CG GLN A 23 2.367 9.376 4.285 1.00 0.00 C ATOM 292 CD GLN A 23 3.235 10.598 4.508 1.00 0.00 C ATOM 293 OE1 GLN A 23 2.861 11.515 5.240 1.00 0.00 O ATOM 294 NE2 GLN A 23 4.404 10.618 3.877 1.00 0.00 N ATOM 0 H GLN A 23 -0.650 8.248 2.678 1.00 0.00 H new ATOM 0 HA GLN A 23 0.493 10.920 3.252 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.722 8.237 2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.572 9.714 2.183 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.529 9.399 4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.944 8.479 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.675 9.837 3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.031 11.415 3.990 1.00 0.00 H new ATOM 303 N VAL A 24 1.213 11.212 0.687 1.00 0.00 N ATOM 304 CA VAL A 24 1.155 11.642 -0.705 1.00 0.00 C ATOM 305 C VAL A 24 1.918 10.682 -1.610 1.00 0.00 C ATOM 306 O VAL A 24 2.696 9.853 -1.137 1.00 0.00 O ATOM 307 CB VAL A 24 1.730 13.060 -0.879 1.00 0.00 C ATOM 308 CG1 VAL A 24 1.047 14.033 0.071 1.00 0.00 C ATOM 309 CG2 VAL A 24 3.235 13.055 -0.659 1.00 0.00 C ATOM 0 H VAL A 24 1.987 11.610 1.219 1.00 0.00 H new ATOM 0 HA VAL A 24 0.103 11.647 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 24 1.536 13.389 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.466 15.030 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.022 14.057 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.207 13.710 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.625 14.065 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.454 12.706 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.706 12.391 -1.383 1.00 0.00 H new ATOM 319 N SER A 25 1.691 10.799 -2.914 1.00 0.00 N ATOM 320 CA SER A 25 2.355 9.938 -3.886 1.00 0.00 C ATOM 321 C SER A 25 3.872 10.061 -3.773 1.00 0.00 C ATOM 322 O SER A 25 4.469 11.009 -4.285 1.00 0.00 O ATOM 323 CB SER A 25 1.907 10.295 -5.305 1.00 0.00 C ATOM 324 OG SER A 25 2.184 9.239 -6.208 1.00 0.00 O ATOM 0 H SER A 25 1.052 11.482 -3.322 1.00 0.00 H new ATOM 0 HA SER A 25 2.074 8.906 -3.673 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.838 10.510 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.416 11.201 -5.633 1.00 0.00 H new ATOM 0 HG SER A 25 2.192 8.387 -5.723 1.00 0.00 H new ATOM 330 N TYR A 26 4.489 9.096 -3.100 1.00 0.00 N ATOM 331 CA TYR A 26 5.935 9.096 -2.917 1.00 0.00 C ATOM 332 C TYR A 26 6.485 7.673 -2.928 1.00 0.00 C ATOM 333 O TYR A 26 5.735 6.704 -2.820 1.00 0.00 O ATOM 334 CB TYR A 26 6.304 9.788 -1.604 1.00 0.00 C ATOM 335 CG TYR A 26 6.288 8.864 -0.407 1.00 0.00 C ATOM 336 CD1 TYR A 26 7.329 7.971 -0.181 1.00 0.00 C ATOM 337 CD2 TYR A 26 5.234 8.883 0.497 1.00 0.00 C ATOM 338 CE1 TYR A 26 7.318 7.124 0.910 1.00 0.00 C ATOM 339 CE2 TYR A 26 5.216 8.041 1.592 1.00 0.00 C ATOM 340 CZ TYR A 26 6.260 7.163 1.794 1.00 0.00 C ATOM 341 OH TYR A 26 6.245 6.322 2.883 1.00 0.00 O ATOM 0 H TYR A 26 4.010 8.304 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 26 6.381 9.645 -3.746 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.297 10.226 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.609 10.609 -1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.160 7.939 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.414 9.568 0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.134 6.435 1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.389 8.070 2.286 1.00 0.00 H new ATOM 0 HH TYR A 26 5.430 6.477 3.405 1.00 0.00 H new ATOM 351 N GLY A 27 7.804 7.557 -3.057 1.00 0.00 N ATOM 352 CA GLY A 27 8.434 6.249 -3.079 1.00 0.00 C ATOM 353 C GLY A 27 7.764 5.299 -4.050 1.00 0.00 C ATOM 354 O GLY A 27 6.836 5.681 -4.762 1.00 0.00 O ATOM 0 H GLY A 27 8.446 8.344 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.484 6.360 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.407 5.819 -2.078 1.00 0.00 H new ATOM 358 N GLU A 28 8.235 4.056 -4.081 1.00 0.00 N ATOM 359 CA GLU A 28 7.676 3.049 -4.975 1.00 0.00 C ATOM 360 C GLU A 28 6.227 2.741 -4.608 1.00 0.00 C ATOM 361 O GLU A 28 5.906 2.513 -3.443 1.00 0.00 O ATOM 362 CB GLU A 28 8.511 1.768 -4.921 1.00 0.00 C ATOM 363 CG GLU A 28 9.831 1.870 -5.667 1.00 0.00 C ATOM 364 CD GLU A 28 9.647 1.983 -7.167 1.00 0.00 C ATOM 365 OE1 GLU A 28 8.577 1.575 -7.667 1.00 0.00 O ATOM 366 OE2 GLU A 28 10.572 2.480 -7.842 1.00 0.00 O ATOM 0 H GLU A 28 9.002 3.723 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 28 7.699 3.447 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.711 1.518 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.929 0.947 -5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.382 2.739 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.438 0.993 -5.444 1.00 0.00 H new ATOM 373 N MET A 29 5.357 2.737 -5.613 1.00 0.00 N ATOM 374 CA MET A 29 3.942 2.456 -5.397 1.00 0.00 C ATOM 375 C MET A 29 3.427 1.445 -6.416 1.00 0.00 C ATOM 376 O MET A 29 4.114 1.122 -7.386 1.00 0.00 O ATOM 377 CB MET A 29 3.125 3.747 -5.484 1.00 0.00 C ATOM 378 CG MET A 29 3.404 4.720 -4.350 1.00 0.00 C ATOM 379 SD MET A 29 2.182 6.042 -4.253 1.00 0.00 S ATOM 380 CE MET A 29 0.815 5.184 -3.478 1.00 0.00 C ATOM 0 H MET A 29 5.607 2.925 -6.584 1.00 0.00 H new ATOM 0 HA MET A 29 3.830 2.030 -4.400 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.337 4.238 -6.434 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.064 3.497 -5.484 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.421 4.176 -3.406 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.394 5.155 -4.485 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.044 5.851 -3.415 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.552 4.308 -4.071 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.105 4.869 -2.475 1.00 0.00 H new ATOM 390 N ILE A 30 2.216 0.948 -6.190 1.00 0.00 N ATOM 391 CA ILE A 30 1.609 -0.026 -7.089 1.00 0.00 C ATOM 392 C ILE A 30 0.117 0.239 -7.261 1.00 0.00 C ATOM 393 O ILE A 30 -0.497 0.935 -6.454 1.00 0.00 O ATOM 394 CB ILE A 30 1.808 -1.465 -6.578 1.00 0.00 C ATOM 395 CG1 ILE A 30 0.788 -1.786 -5.484 1.00 0.00 C ATOM 396 CG2 ILE A 30 3.226 -1.651 -6.058 1.00 0.00 C ATOM 397 CD1 ILE A 30 1.016 -1.018 -4.200 1.00 0.00 C ATOM 0 H ILE A 30 1.635 1.204 -5.391 1.00 0.00 H new ATOM 0 HA ILE A 30 2.108 0.081 -8.052 1.00 0.00 H new ATOM 0 HB ILE A 30 1.653 -2.154 -7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.213 -1.567 -5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.821 -2.854 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.351 -2.673 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.937 -1.458 -6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.407 -0.955 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.256 -1.296 -3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.003 -1.256 -3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.953 0.052 -4.400 1.00 0.00 H new ATOM 409 N GLY A 31 -0.460 -0.322 -8.319 1.00 0.00 N ATOM 410 CA GLY A 31 -1.876 -0.137 -8.577 1.00 0.00 C ATOM 411 C GLY A 31 -2.666 -1.421 -8.424 1.00 0.00 C ATOM 412 O GLY A 31 -2.690 -2.256 -9.329 1.00 0.00 O ATOM 0 H GLY A 31 0.028 -0.901 -9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.272 0.613 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.010 0.250 -9.587 1.00 0.00 H new ATOM 416 N CYS A 32 -3.314 -1.582 -7.275 1.00 0.00 N ATOM 417 CA CYS A 32 -4.107 -2.775 -7.005 1.00 0.00 C ATOM 418 C CYS A 32 -4.804 -3.264 -8.271 1.00 0.00 C ATOM 419 O CYS A 32 -5.198 -2.467 -9.122 1.00 0.00 O ATOM 420 CB CYS A 32 -5.145 -2.487 -5.918 1.00 0.00 C ATOM 421 SG CYS A 32 -5.963 -3.974 -5.258 1.00 0.00 S ATOM 0 H CYS A 32 -3.305 -0.901 -6.516 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.433 -3.558 -6.657 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.659 -1.958 -5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.904 -1.818 -6.324 1.00 0.00 H new ATOM 426 N ASP A 33 -4.951 -4.579 -8.389 1.00 0.00 N ATOM 427 CA ASP A 33 -5.600 -5.175 -9.550 1.00 0.00 C ATOM 428 C ASP A 33 -7.108 -4.949 -9.505 1.00 0.00 C ATOM 429 O ASP A 33 -7.720 -4.575 -10.504 1.00 0.00 O ATOM 430 CB ASP A 33 -5.298 -6.673 -9.617 1.00 0.00 C ATOM 431 CG ASP A 33 -5.229 -7.312 -8.244 1.00 0.00 C ATOM 432 OD1 ASP A 33 -5.766 -6.718 -7.286 1.00 0.00 O ATOM 433 OD2 ASP A 33 -4.637 -8.406 -8.128 1.00 0.00 O ATOM 0 H ASP A 33 -4.629 -5.253 -7.694 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.205 -4.692 -10.444 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.068 -7.170 -10.207 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.351 -6.827 -10.134 1.00 0.00 H new ATOM 438 N ASN A 34 -7.701 -5.181 -8.338 1.00 0.00 N ATOM 439 CA ASN A 34 -9.138 -5.005 -8.163 1.00 0.00 C ATOM 440 C ASN A 34 -9.587 -3.644 -8.687 1.00 0.00 C ATOM 441 O ASN A 34 -9.099 -2.596 -8.264 1.00 0.00 O ATOM 442 CB ASN A 34 -9.514 -5.144 -6.686 1.00 0.00 C ATOM 443 CG ASN A 34 -11.008 -5.311 -6.483 1.00 0.00 C ATOM 444 OD1 ASN A 34 -11.680 -5.983 -7.265 1.00 0.00 O ATOM 445 ND2 ASN A 34 -11.533 -4.699 -5.428 1.00 0.00 N ATOM 0 H ASN A 34 -7.209 -5.491 -7.500 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.646 -5.781 -8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.994 -6.002 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.172 -4.263 -6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.532 -4.776 -5.239 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.937 -4.152 -4.807 1.00 0.00 H new ATOM 452 N PRO A 35 -10.541 -3.659 -9.630 1.00 0.00 N ATOM 453 CA PRO A 35 -11.078 -2.434 -10.231 1.00 0.00 C ATOM 454 C PRO A 35 -11.923 -1.629 -9.250 1.00 0.00 C ATOM 455 O PRO A 35 -11.998 -0.403 -9.342 1.00 0.00 O ATOM 456 CB PRO A 35 -11.944 -2.955 -11.381 1.00 0.00 C ATOM 457 CG PRO A 35 -12.331 -4.334 -10.971 1.00 0.00 C ATOM 458 CD PRO A 35 -11.169 -4.871 -10.181 1.00 0.00 C ATOM 0 HA PRO A 35 -10.287 -1.754 -10.548 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.821 -2.326 -11.532 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.392 -2.962 -12.321 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.240 -4.322 -10.369 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.533 -4.958 -11.842 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.498 -5.547 -9.392 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.478 -5.430 -10.812 1.00 0.00 H new ATOM 466 N ASP A 36 -12.556 -2.324 -8.313 1.00 0.00 N ATOM 467 CA ASP A 36 -13.395 -1.673 -7.313 1.00 0.00 C ATOM 468 C ASP A 36 -12.545 -0.890 -6.317 1.00 0.00 C ATOM 469 O ASP A 36 -12.891 0.227 -5.933 1.00 0.00 O ATOM 470 CB ASP A 36 -14.244 -2.709 -6.575 1.00 0.00 C ATOM 471 CG ASP A 36 -15.366 -2.076 -5.776 1.00 0.00 C ATOM 472 OD1 ASP A 36 -15.138 -1.000 -5.182 1.00 0.00 O ATOM 473 OD2 ASP A 36 -16.471 -2.655 -5.744 1.00 0.00 O ATOM 0 H ASP A 36 -12.505 -3.339 -8.224 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.055 -0.975 -7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.666 -3.409 -7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.606 -3.287 -5.906 1.00 0.00 H new ATOM 478 N CYS A 37 -11.432 -1.485 -5.901 1.00 0.00 N ATOM 479 CA CYS A 37 -10.532 -0.846 -4.949 1.00 0.00 C ATOM 480 C CYS A 37 -10.488 0.663 -5.171 1.00 0.00 C ATOM 481 O CYS A 37 -9.981 1.137 -6.187 1.00 0.00 O ATOM 482 CB CYS A 37 -9.124 -1.432 -5.073 1.00 0.00 C ATOM 483 SG CYS A 37 -8.068 -1.144 -3.616 1.00 0.00 S ATOM 0 H CYS A 37 -11.132 -2.410 -6.209 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.910 -1.037 -3.945 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -9.203 -2.505 -5.245 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.639 -1.003 -5.950 1.00 0.00 H new ATOM 488 N SER A 38 -11.024 1.412 -4.212 1.00 0.00 N ATOM 489 CA SER A 38 -11.049 2.868 -4.304 1.00 0.00 C ATOM 490 C SER A 38 -9.637 3.440 -4.245 1.00 0.00 C ATOM 491 O SER A 38 -9.294 4.354 -4.996 1.00 0.00 O ATOM 492 CB SER A 38 -11.898 3.456 -3.176 1.00 0.00 C ATOM 493 OG SER A 38 -12.133 4.838 -3.382 1.00 0.00 O ATOM 0 H SER A 38 -11.446 1.035 -3.363 1.00 0.00 H new ATOM 0 HA SER A 38 -11.492 3.140 -5.262 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.849 2.927 -3.119 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.393 3.308 -2.221 1.00 0.00 H new ATOM 0 HG SER A 38 -12.679 5.190 -2.648 1.00 0.00 H new ATOM 499 N ILE A 39 -8.822 2.897 -3.347 1.00 0.00 N ATOM 500 CA ILE A 39 -7.446 3.352 -3.189 1.00 0.00 C ATOM 501 C ILE A 39 -6.593 2.949 -4.387 1.00 0.00 C ATOM 502 O ILE A 39 -6.109 3.801 -5.131 1.00 0.00 O ATOM 503 CB ILE A 39 -6.809 2.787 -1.906 1.00 0.00 C ATOM 504 CG1 ILE A 39 -7.588 3.254 -0.675 1.00 0.00 C ATOM 505 CG2 ILE A 39 -5.351 3.209 -1.809 1.00 0.00 C ATOM 506 CD1 ILE A 39 -7.313 2.430 0.563 1.00 0.00 C ATOM 0 H ILE A 39 -9.091 2.141 -2.717 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.480 4.439 -3.119 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.850 1.699 -1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.339 4.295 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.655 3.219 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.914 2.802 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.805 2.831 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.288 4.297 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.899 2.818 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.589 1.392 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.252 2.485 0.809 1.00 0.00 H new ATOM 518 N GLU A 40 -6.415 1.644 -4.568 1.00 0.00 N ATOM 519 CA GLU A 40 -5.621 1.128 -5.677 1.00 0.00 C ATOM 520 C GLU A 40 -4.286 1.860 -5.776 1.00 0.00 C ATOM 521 O GLU A 40 -3.822 2.181 -6.871 1.00 0.00 O ATOM 522 CB GLU A 40 -6.391 1.268 -6.992 1.00 0.00 C ATOM 523 CG GLU A 40 -5.791 0.466 -8.136 1.00 0.00 C ATOM 524 CD GLU A 40 -6.551 0.647 -9.436 1.00 0.00 C ATOM 525 OE1 GLU A 40 -6.729 1.807 -9.861 1.00 0.00 O ATOM 526 OE2 GLU A 40 -6.967 -0.372 -10.027 1.00 0.00 O ATOM 0 H GLU A 40 -6.810 0.925 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.424 0.072 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.421 0.948 -6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.423 2.320 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.753 0.767 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.782 -0.591 -7.869 1.00 0.00 H new ATOM 533 N TRP A 41 -3.674 2.120 -4.627 1.00 0.00 N ATOM 534 CA TRP A 41 -2.392 2.815 -4.584 1.00 0.00 C ATOM 535 C TRP A 41 -1.788 2.755 -3.185 1.00 0.00 C ATOM 536 O TRP A 41 -2.378 3.244 -2.222 1.00 0.00 O ATOM 537 CB TRP A 41 -2.563 4.271 -5.017 1.00 0.00 C ATOM 538 CG TRP A 41 -2.605 4.447 -6.505 1.00 0.00 C ATOM 539 CD1 TRP A 41 -3.705 4.719 -7.267 1.00 0.00 C ATOM 540 CD2 TRP A 41 -1.499 4.360 -7.410 1.00 0.00 C ATOM 541 NE1 TRP A 41 -3.350 4.807 -8.592 1.00 0.00 N ATOM 542 CE2 TRP A 41 -2.002 4.592 -8.706 1.00 0.00 C ATOM 543 CE3 TRP A 41 -0.133 4.112 -7.253 1.00 0.00 C ATOM 544 CZ2 TRP A 41 -1.186 4.580 -9.834 1.00 0.00 C ATOM 545 CZ3 TRP A 41 0.676 4.100 -8.373 1.00 0.00 C ATOM 546 CH2 TRP A 41 0.148 4.334 -9.650 1.00 0.00 C ATOM 0 H TRP A 41 -4.044 1.860 -3.713 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.713 2.316 -5.275 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.483 4.665 -4.586 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.742 4.862 -4.611 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -4.707 4.846 -6.885 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.987 5.001 -9.365 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.283 3.933 -6.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.591 4.758 -10.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.733 3.907 -8.263 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.807 4.320 -10.506 1.00 0.00 H new ATOM 557 N PHE A 42 -0.607 2.154 -3.080 1.00 0.00 N ATOM 558 CA PHE A 42 0.077 2.031 -1.798 1.00 0.00 C ATOM 559 C PHE A 42 1.583 2.210 -1.966 1.00 0.00 C ATOM 560 O PHE A 42 2.080 2.372 -3.081 1.00 0.00 O ATOM 561 CB PHE A 42 -0.219 0.668 -1.168 1.00 0.00 C ATOM 562 CG PHE A 42 -1.686 0.374 -1.036 1.00 0.00 C ATOM 563 CD1 PHE A 42 -2.427 -0.026 -2.137 1.00 0.00 C ATOM 564 CD2 PHE A 42 -2.324 0.499 0.187 1.00 0.00 C ATOM 565 CE1 PHE A 42 -3.777 -0.298 -2.019 1.00 0.00 C ATOM 566 CE2 PHE A 42 -3.674 0.228 0.311 1.00 0.00 C ATOM 567 CZ PHE A 42 -4.401 -0.170 -0.794 1.00 0.00 C ATOM 0 H PHE A 42 -0.104 1.745 -3.867 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.293 2.817 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.247 -0.111 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.242 0.625 -0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.944 -0.126 -3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.760 0.812 1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.343 -0.610 -2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.160 0.327 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.456 -0.381 -0.700 1.00 0.00 H new ATOM 577 N HIS A 43 2.304 2.181 -0.849 1.00 0.00 N ATOM 578 CA HIS A 43 3.754 2.341 -0.871 1.00 0.00 C ATOM 579 C HIS A 43 4.450 1.017 -0.571 1.00 0.00 C ATOM 580 O HIS A 43 4.117 0.334 0.398 1.00 0.00 O ATOM 581 CB HIS A 43 4.187 3.400 0.142 1.00 0.00 C ATOM 582 CG HIS A 43 3.540 4.734 -0.071 1.00 0.00 C ATOM 583 ND1 HIS A 43 2.727 5.335 0.866 1.00 0.00 N ATOM 584 CD2 HIS A 43 3.591 5.584 -1.123 1.00 0.00 C ATOM 585 CE1 HIS A 43 2.304 6.496 0.400 1.00 0.00 C ATOM 586 NE2 HIS A 43 2.815 6.672 -0.806 1.00 0.00 N ATOM 0 H HIS A 43 1.908 2.048 0.082 1.00 0.00 H new ATOM 0 HA HIS A 43 4.044 2.666 -1.870 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.952 3.048 1.146 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.269 3.518 0.091 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.140 5.435 -2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.652 7.184 0.917 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.659 7.483 -1.404 1.00 0.00 H new ATOM 594 N PHE A 44 5.418 0.660 -1.408 1.00 0.00 N ATOM 595 CA PHE A 44 6.161 -0.583 -1.234 1.00 0.00 C ATOM 596 C PHE A 44 6.515 -0.803 0.234 1.00 0.00 C ATOM 597 O PHE A 44 6.033 -1.743 0.866 1.00 0.00 O ATOM 598 CB PHE A 44 7.436 -0.564 -2.080 1.00 0.00 C ATOM 599 CG PHE A 44 7.216 -0.986 -3.504 1.00 0.00 C ATOM 600 CD1 PHE A 44 6.225 -0.394 -4.271 1.00 0.00 C ATOM 601 CD2 PHE A 44 8.000 -1.975 -4.077 1.00 0.00 C ATOM 602 CE1 PHE A 44 6.020 -0.781 -5.582 1.00 0.00 C ATOM 603 CE2 PHE A 44 7.800 -2.366 -5.387 1.00 0.00 C ATOM 604 CZ PHE A 44 6.809 -1.768 -6.141 1.00 0.00 C ATOM 0 H PHE A 44 5.707 1.214 -2.214 1.00 0.00 H new ATOM 0 HA PHE A 44 5.527 -1.405 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.855 0.442 -2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.175 -1.223 -1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.606 0.379 -3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.777 -2.446 -3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.244 -0.312 -6.169 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.418 -3.138 -5.821 1.00 0.00 H new ATOM 0 HZ PHE A 44 6.651 -2.071 -7.165 1.00 0.00 H new ATOM 614 N ALA A 45 7.361 0.071 0.770 1.00 0.00 N ATOM 615 CA ALA A 45 7.779 -0.026 2.163 1.00 0.00 C ATOM 616 C ALA A 45 6.585 -0.272 3.079 1.00 0.00 C ATOM 617 O ALA A 45 6.672 -1.040 4.038 1.00 0.00 O ATOM 618 CB ALA A 45 8.517 1.237 2.582 1.00 0.00 C ATOM 0 H ALA A 45 7.770 0.854 0.260 1.00 0.00 H new ATOM 0 HA ALA A 45 8.455 -0.876 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.823 1.151 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.399 1.368 1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.859 2.098 2.467 1.00 0.00 H new ATOM 624 N CYS A 46 5.469 0.385 2.778 1.00 0.00 N ATOM 625 CA CYS A 46 4.257 0.239 3.574 1.00 0.00 C ATOM 626 C CYS A 46 3.665 -1.158 3.413 1.00 0.00 C ATOM 627 O CYS A 46 3.170 -1.749 4.372 1.00 0.00 O ATOM 628 CB CYS A 46 3.225 1.293 3.168 1.00 0.00 C ATOM 629 SG CYS A 46 3.449 2.906 3.983 1.00 0.00 S ATOM 0 H CYS A 46 5.380 1.024 1.988 1.00 0.00 H new ATOM 0 HA CYS A 46 4.521 0.384 4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.271 1.434 2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.228 0.917 3.398 1.00 0.00 H new ATOM 634 N VAL A 47 3.720 -1.681 2.192 1.00 0.00 N ATOM 635 CA VAL A 47 3.191 -3.008 1.904 1.00 0.00 C ATOM 636 C VAL A 47 4.303 -4.050 1.878 1.00 0.00 C ATOM 637 O VAL A 47 4.201 -5.067 1.194 1.00 0.00 O ATOM 638 CB VAL A 47 2.446 -3.035 0.555 1.00 0.00 C ATOM 639 CG1 VAL A 47 1.246 -2.102 0.589 1.00 0.00 C ATOM 640 CG2 VAL A 47 3.388 -2.665 -0.580 1.00 0.00 C ATOM 0 H VAL A 47 4.126 -1.205 1.386 1.00 0.00 H new ATOM 0 HA VAL A 47 2.490 -3.249 2.703 1.00 0.00 H new ATOM 0 HB VAL A 47 2.083 -4.048 0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.733 -2.134 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.562 -2.418 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.582 -1.084 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.846 -2.689 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.783 -1.663 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.212 -3.378 -0.616 1.00 0.00 H new ATOM 650 N GLY A 48 5.368 -3.789 2.631 1.00 0.00 N ATOM 651 CA GLY A 48 6.486 -4.713 2.681 1.00 0.00 C ATOM 652 C GLY A 48 6.776 -5.346 1.334 1.00 0.00 C ATOM 653 O GLY A 48 6.620 -6.555 1.161 1.00 0.00 O ATOM 0 H GLY A 48 5.476 -2.954 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.374 -4.186 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.274 -5.496 3.409 1.00 0.00 H new ATOM 657 N LEU A 49 7.198 -4.527 0.377 1.00 0.00 N ATOM 658 CA LEU A 49 7.510 -5.013 -0.963 1.00 0.00 C ATOM 659 C LEU A 49 8.967 -4.736 -1.317 1.00 0.00 C ATOM 660 O LEU A 49 9.320 -3.627 -1.720 1.00 0.00 O ATOM 661 CB LEU A 49 6.588 -4.356 -1.992 1.00 0.00 C ATOM 662 CG LEU A 49 5.302 -5.113 -2.321 1.00 0.00 C ATOM 663 CD1 LEU A 49 4.488 -4.357 -3.361 1.00 0.00 C ATOM 664 CD2 LEU A 49 5.620 -6.519 -2.810 1.00 0.00 C ATOM 0 H LEU A 49 7.332 -3.524 0.504 1.00 0.00 H new ATOM 0 HA LEU A 49 7.351 -6.091 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.319 -3.364 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.149 -4.215 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 49 4.708 -5.192 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.576 -4.911 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.229 -3.372 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.075 -4.246 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.692 -7.043 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.236 -6.461 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.160 -7.061 -2.034 1.00 0.00 H new ATOM 676 N THR A 50 9.811 -5.752 -1.168 1.00 0.00 N ATOM 677 CA THR A 50 11.230 -5.619 -1.473 1.00 0.00 C ATOM 678 C THR A 50 11.444 -5.221 -2.929 1.00 0.00 C ATOM 679 O THR A 50 12.308 -4.400 -3.239 1.00 0.00 O ATOM 680 CB THR A 50 11.990 -6.929 -1.193 1.00 0.00 C ATOM 681 OG1 THR A 50 11.497 -7.972 -2.041 1.00 0.00 O ATOM 682 CG2 THR A 50 11.842 -7.340 0.264 1.00 0.00 C ATOM 0 H THR A 50 9.536 -6.677 -0.838 1.00 0.00 H new ATOM 0 HA THR A 50 11.621 -4.836 -0.824 1.00 0.00 H new ATOM 0 HB THR A 50 13.047 -6.762 -1.401 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.986 -8.801 -1.858 1.00 0.00 H new ATOM 0 HG21 THR A 50 12.387 -8.268 0.438 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.245 -6.557 0.906 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.787 -7.491 0.494 1.00 0.00 H new ATOM 690 N THR A 51 10.651 -5.807 -3.821 1.00 0.00 N ATOM 691 CA THR A 51 10.754 -5.514 -5.245 1.00 0.00 C ATOM 692 C THR A 51 9.385 -5.552 -5.914 1.00 0.00 C ATOM 693 O THR A 51 8.457 -6.192 -5.419 1.00 0.00 O ATOM 694 CB THR A 51 11.689 -6.510 -5.957 1.00 0.00 C ATOM 695 OG1 THR A 51 12.878 -6.705 -5.183 1.00 0.00 O ATOM 696 CG2 THR A 51 12.057 -6.009 -7.345 1.00 0.00 C ATOM 0 H THR A 51 9.930 -6.488 -3.582 1.00 0.00 H new ATOM 0 HA THR A 51 11.170 -4.510 -5.332 1.00 0.00 H new ATOM 0 HB THR A 51 11.163 -7.459 -6.059 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.466 -7.341 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.718 -6.729 -7.828 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.152 -5.890 -7.941 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.565 -5.048 -7.262 1.00 0.00 H new ATOM 704 N LYS A 52 9.265 -4.862 -7.044 1.00 0.00 N ATOM 705 CA LYS A 52 8.010 -4.817 -7.783 1.00 0.00 C ATOM 706 C LYS A 52 7.509 -6.225 -8.090 1.00 0.00 C ATOM 707 O LYS A 52 8.189 -7.026 -8.732 1.00 0.00 O ATOM 708 CB LYS A 52 8.189 -4.033 -9.086 1.00 0.00 C ATOM 709 CG LYS A 52 6.878 -3.660 -9.756 1.00 0.00 C ATOM 710 CD LYS A 52 7.101 -3.149 -11.170 1.00 0.00 C ATOM 711 CE LYS A 52 5.786 -2.981 -11.915 1.00 0.00 C ATOM 712 NZ LYS A 52 5.180 -4.293 -12.275 1.00 0.00 N ATOM 0 H LYS A 52 10.023 -4.326 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 52 7.269 -4.314 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.753 -3.124 -8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.785 -4.627 -9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.221 -4.529 -9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.372 -2.895 -9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.625 -2.194 -11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.742 -3.844 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.088 -2.416 -11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.954 -2.398 -12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.392 -4.142 -12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.898 -4.895 -12.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.826 -4.759 -11.415 1.00 0.00 H new ATOM 726 N PRO A 53 6.290 -6.535 -7.623 1.00 0.00 N ATOM 727 CA PRO A 53 5.670 -7.846 -7.837 1.00 0.00 C ATOM 728 C PRO A 53 5.276 -8.070 -9.293 1.00 0.00 C ATOM 729 O PRO A 53 4.803 -7.154 -9.966 1.00 0.00 O ATOM 730 CB PRO A 53 4.425 -7.799 -6.948 1.00 0.00 C ATOM 731 CG PRO A 53 4.104 -6.350 -6.822 1.00 0.00 C ATOM 732 CD PRO A 53 5.423 -5.629 -6.850 1.00 0.00 C ATOM 0 HA PRO A 53 6.351 -8.663 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.598 -8.350 -7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.617 -8.248 -5.974 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.462 -6.020 -7.639 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.569 -6.148 -5.894 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.337 -4.652 -7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.811 -5.461 -5.845 1.00 0.00 H new ATOM 740 N ARG A 54 5.474 -9.293 -9.774 1.00 0.00 N ATOM 741 CA ARG A 54 5.140 -9.637 -11.150 1.00 0.00 C ATOM 742 C ARG A 54 3.798 -10.359 -11.220 1.00 0.00 C ATOM 743 O ARG A 54 3.671 -11.499 -10.778 1.00 0.00 O ATOM 744 CB ARG A 54 6.235 -10.514 -11.760 1.00 0.00 C ATOM 745 CG ARG A 54 7.331 -9.724 -12.457 1.00 0.00 C ATOM 746 CD ARG A 54 6.912 -9.309 -13.859 1.00 0.00 C ATOM 747 NE ARG A 54 7.277 -10.309 -14.858 1.00 0.00 N ATOM 748 CZ ARG A 54 6.458 -11.272 -15.267 1.00 0.00 C ATOM 749 NH1 ARG A 54 5.234 -11.363 -14.766 1.00 0.00 N ATOM 750 NH2 ARG A 54 6.863 -12.146 -16.180 1.00 0.00 N ATOM 0 H ARG A 54 5.864 -10.063 -9.230 1.00 0.00 H new ATOM 0 HA ARG A 54 5.065 -8.711 -11.721 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.682 -11.122 -10.974 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.782 -11.200 -12.476 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.571 -8.837 -11.870 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.238 -10.326 -12.510 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.834 -9.150 -13.883 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.381 -8.358 -14.111 1.00 0.00 H new ATOM 0 HE ARG A 54 8.212 -10.266 -15.264 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.919 -10.693 -14.065 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.607 -12.103 -15.082 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.804 -12.079 -16.568 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.233 -12.885 -16.493 1.00 0.00 H new ATOM 764 N GLY A 55 2.797 -9.684 -11.779 1.00 0.00 N ATOM 765 CA GLY A 55 1.477 -10.277 -11.896 1.00 0.00 C ATOM 766 C GLY A 55 0.427 -9.511 -11.116 1.00 0.00 C ATOM 767 O GLY A 55 0.668 -8.389 -10.672 1.00 0.00 O ATOM 0 H GLY A 55 2.877 -8.738 -12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.190 -10.313 -12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.511 -11.306 -11.539 1.00 0.00 H new ATOM 771 N LYS A 56 -0.743 -10.118 -10.950 1.00 0.00 N ATOM 772 CA LYS A 56 -1.835 -9.488 -10.219 1.00 0.00 C ATOM 773 C LYS A 56 -1.492 -9.351 -8.739 1.00 0.00 C ATOM 774 O LYS A 56 -1.149 -10.333 -8.079 1.00 0.00 O ATOM 775 CB LYS A 56 -3.122 -10.300 -10.382 1.00 0.00 C ATOM 776 CG LYS A 56 -3.020 -11.716 -9.843 1.00 0.00 C ATOM 777 CD LYS A 56 -4.303 -12.496 -10.076 1.00 0.00 C ATOM 778 CE LYS A 56 -4.116 -13.977 -9.785 1.00 0.00 C ATOM 779 NZ LYS A 56 -3.840 -14.228 -8.344 1.00 0.00 N ATOM 0 H LYS A 56 -0.959 -11.047 -11.312 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.987 -8.491 -10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.935 -9.783 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.385 -10.341 -11.439 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.188 -12.230 -10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.801 -11.685 -8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.093 -12.096 -9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.627 -12.365 -11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.012 -14.522 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.293 -14.364 -10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.488 -15.199 -8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.124 -13.554 -8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.716 -14.106 -7.796 1.00 0.00 H new ATOM 793 N TRP A 57 -1.588 -8.131 -8.224 1.00 0.00 N ATOM 794 CA TRP A 57 -1.289 -7.868 -6.821 1.00 0.00 C ATOM 795 C TRP A 57 -2.505 -7.290 -6.104 1.00 0.00 C ATOM 796 O TRP A 57 -2.894 -6.147 -6.345 1.00 0.00 O ATOM 797 CB TRP A 57 -0.106 -6.906 -6.702 1.00 0.00 C ATOM 798 CG TRP A 57 0.202 -6.515 -5.288 1.00 0.00 C ATOM 799 CD1 TRP A 57 0.988 -7.196 -4.402 1.00 0.00 C ATOM 800 CD2 TRP A 57 -0.271 -5.354 -4.598 1.00 0.00 C ATOM 801 NE1 TRP A 57 1.031 -6.528 -3.203 1.00 0.00 N ATOM 802 CE2 TRP A 57 0.269 -5.394 -3.297 1.00 0.00 C ATOM 803 CE3 TRP A 57 -1.095 -4.282 -4.952 1.00 0.00 C ATOM 804 CZ2 TRP A 57 0.008 -4.405 -2.352 1.00 0.00 C ATOM 805 CZ3 TRP A 57 -1.353 -3.302 -4.013 1.00 0.00 C ATOM 806 CH2 TRP A 57 -0.803 -3.368 -2.726 1.00 0.00 C ATOM 0 H TRP A 57 -1.870 -7.308 -8.757 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.028 -8.814 -6.347 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.776 -7.370 -7.143 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.318 -6.008 -7.282 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.500 -8.123 -4.613 1.00 0.00 H new ATOM 0 HE1 TRP A 57 1.547 -6.828 -2.376 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.522 -4.221 -5.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 0.431 -4.455 -1.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -1.990 -2.470 -4.276 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.023 -2.585 -2.015 1.00 0.00 H new ATOM 817 N PHE A 58 -3.100 -8.085 -5.222 1.00 0.00 N ATOM 818 CA PHE A 58 -4.273 -7.652 -4.471 1.00 0.00 C ATOM 819 C PHE A 58 -3.868 -7.075 -3.117 1.00 0.00 C ATOM 820 O PHE A 58 -3.534 -7.813 -2.190 1.00 0.00 O ATOM 821 CB PHE A 58 -5.239 -8.822 -4.272 1.00 0.00 C ATOM 822 CG PHE A 58 -5.654 -9.481 -5.556 1.00 0.00 C ATOM 823 CD1 PHE A 58 -6.631 -8.912 -6.358 1.00 0.00 C ATOM 824 CD2 PHE A 58 -5.069 -10.669 -5.962 1.00 0.00 C ATOM 825 CE1 PHE A 58 -7.016 -9.517 -7.539 1.00 0.00 C ATOM 826 CE2 PHE A 58 -5.449 -11.278 -7.143 1.00 0.00 C ATOM 827 CZ PHE A 58 -6.423 -10.701 -7.933 1.00 0.00 C ATOM 0 H PHE A 58 -2.790 -9.033 -5.009 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.773 -6.872 -5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.770 -9.565 -3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.128 -8.465 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.097 -7.985 -6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.306 -11.125 -5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.780 -9.065 -8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.984 -12.204 -7.447 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.721 -11.174 -8.857 1.00 0.00 H new ATOM 837 N CYS A 59 -3.902 -5.751 -3.011 1.00 0.00 N ATOM 838 CA CYS A 59 -3.538 -5.073 -1.773 1.00 0.00 C ATOM 839 C CYS A 59 -4.003 -5.873 -0.559 1.00 0.00 C ATOM 840 O CYS A 59 -4.962 -6.642 -0.621 1.00 0.00 O ATOM 841 CB CYS A 59 -4.147 -3.670 -1.737 1.00 0.00 C ATOM 842 SG CYS A 59 -5.922 -3.640 -1.328 1.00 0.00 S ATOM 0 H CYS A 59 -4.178 -5.126 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.452 -4.991 -1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.606 -3.070 -1.005 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.001 -3.197 -2.708 1.00 0.00 H new ATOM 847 N PRO A 60 -3.308 -5.687 0.573 1.00 0.00 N ATOM 848 CA PRO A 60 -3.631 -6.381 1.824 1.00 0.00 C ATOM 849 C PRO A 60 -4.942 -5.896 2.433 1.00 0.00 C ATOM 850 O PRO A 60 -5.239 -6.179 3.594 1.00 0.00 O ATOM 851 CB PRO A 60 -2.454 -6.031 2.738 1.00 0.00 C ATOM 852 CG PRO A 60 -1.933 -4.741 2.207 1.00 0.00 C ATOM 853 CD PRO A 60 -2.153 -4.785 0.720 1.00 0.00 C ATOM 0 HA PRO A 60 -3.767 -7.452 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.774 -5.932 3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.689 -6.807 2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.456 -3.896 2.654 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.875 -4.621 2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.362 -3.795 0.315 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.277 -5.165 0.195 1.00 0.00 H new ATOM 861 N ARG A 61 -5.722 -5.166 1.644 1.00 0.00 N ATOM 862 CA ARG A 61 -7.001 -4.641 2.107 1.00 0.00 C ATOM 863 C ARG A 61 -8.154 -5.224 1.295 1.00 0.00 C ATOM 864 O ARG A 61 -9.297 -5.253 1.752 1.00 0.00 O ATOM 865 CB ARG A 61 -7.016 -3.114 2.009 1.00 0.00 C ATOM 866 CG ARG A 61 -6.274 -2.425 3.143 1.00 0.00 C ATOM 867 CD ARG A 61 -6.571 -0.934 3.177 1.00 0.00 C ATOM 868 NE ARG A 61 -7.947 -0.658 3.583 1.00 0.00 N ATOM 869 CZ ARG A 61 -8.957 -0.544 2.729 1.00 0.00 C ATOM 870 NH1 ARG A 61 -8.747 -0.681 1.427 1.00 0.00 N ATOM 871 NH2 ARG A 61 -10.181 -0.293 3.176 1.00 0.00 N ATOM 0 H ARG A 61 -5.491 -4.924 0.680 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.129 -4.933 3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.571 -2.815 1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.050 -2.769 2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.560 -2.876 4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.202 -2.581 3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.884 -0.443 3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.392 -0.506 2.191 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.143 -0.547 4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.808 -0.874 1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.525 -0.593 0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.347 -0.187 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.956 -0.206 2.519 1.00 0.00 H new ATOM 885 N CYS A 62 -7.846 -5.688 0.089 1.00 0.00 N ATOM 886 CA CYS A 62 -8.855 -6.270 -0.788 1.00 0.00 C ATOM 887 C CYS A 62 -8.871 -7.791 -0.665 1.00 0.00 C ATOM 888 O CYS A 62 -9.924 -8.422 -0.766 1.00 0.00 O ATOM 889 CB CYS A 62 -8.592 -5.868 -2.241 1.00 0.00 C ATOM 890 SG CYS A 62 -8.980 -4.127 -2.612 1.00 0.00 S ATOM 0 H CYS A 62 -6.905 -5.672 -0.304 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.829 -5.888 -0.483 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.543 -6.053 -2.474 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -9.182 -6.508 -2.897 1.00 0.00 H new ATOM 895 N SER A 63 -7.697 -8.374 -0.445 1.00 0.00 N ATOM 896 CA SER A 63 -7.575 -9.821 -0.312 1.00 0.00 C ATOM 897 C SER A 63 -7.892 -10.264 1.114 1.00 0.00 C ATOM 898 O SER A 63 -7.314 -11.226 1.618 1.00 0.00 O ATOM 899 CB SER A 63 -6.164 -10.272 -0.696 1.00 0.00 C ATOM 900 OG SER A 63 -6.185 -11.561 -1.286 1.00 0.00 O ATOM 0 H SER A 63 -6.817 -7.867 -0.355 1.00 0.00 H new ATOM 0 HA SER A 63 -8.294 -10.285 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.727 -9.557 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.529 -10.284 0.190 1.00 0.00 H new ATOM 0 HG SER A 63 -5.272 -11.827 -1.524 1.00 0.00 H new ATOM 906 N GLN A 64 -8.814 -9.553 1.756 1.00 0.00 N ATOM 907 CA GLN A 64 -9.208 -9.872 3.123 1.00 0.00 C ATOM 908 C GLN A 64 -9.078 -11.368 3.392 1.00 0.00 C ATOM 909 O GLN A 64 -8.329 -11.786 4.274 1.00 0.00 O ATOM 910 CB GLN A 64 -10.646 -9.418 3.381 1.00 0.00 C ATOM 911 CG GLN A 64 -10.892 -7.957 3.043 1.00 0.00 C ATOM 912 CD GLN A 64 -11.373 -7.760 1.619 1.00 0.00 C ATOM 913 OE1 GLN A 64 -11.723 -8.719 0.932 1.00 0.00 O ATOM 914 NE2 GLN A 64 -11.395 -6.511 1.169 1.00 0.00 N ATOM 0 H GLN A 64 -9.301 -8.753 1.352 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.540 -9.340 3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.325 -10.037 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.888 -9.585 4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.631 -7.548 3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.971 -7.393 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.096 -5.746 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -11.711 -6.317 0.219 1.00 0.00 H new ATOM 923 N GLU A 65 -9.813 -12.168 2.626 1.00 0.00 N ATOM 924 CA GLU A 65 -9.780 -13.617 2.784 1.00 0.00 C ATOM 925 C GLU A 65 -8.343 -14.125 2.847 1.00 0.00 C ATOM 926 O GLU A 65 -7.609 -14.067 1.860 1.00 0.00 O ATOM 927 CB GLU A 65 -10.523 -14.295 1.630 1.00 0.00 C ATOM 928 CG GLU A 65 -11.162 -15.619 2.013 1.00 0.00 C ATOM 929 CD GLU A 65 -10.159 -16.613 2.566 1.00 0.00 C ATOM 930 OE1 GLU A 65 -9.101 -16.803 1.931 1.00 0.00 O ATOM 931 OE2 GLU A 65 -10.433 -17.201 3.634 1.00 0.00 O ATOM 0 H GLU A 65 -10.438 -11.838 1.891 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.276 -13.866 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.296 -13.621 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.826 -14.461 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.939 -15.441 2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.650 -16.049 1.138 1.00 0.00 H new ATOM 938 N SER A 66 -7.948 -14.623 4.014 1.00 0.00 N ATOM 939 CA SER A 66 -6.597 -15.137 4.208 1.00 0.00 C ATOM 940 C SER A 66 -6.631 -16.540 4.807 1.00 0.00 C ATOM 941 O SER A 66 -6.532 -16.712 6.021 1.00 0.00 O ATOM 942 CB SER A 66 -5.798 -14.202 5.117 1.00 0.00 C ATOM 943 OG SER A 66 -5.216 -13.144 4.375 1.00 0.00 O ATOM 0 H SER A 66 -8.544 -14.682 4.840 1.00 0.00 H new ATOM 0 HA SER A 66 -6.111 -15.188 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.451 -13.793 5.888 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.017 -14.765 5.627 1.00 0.00 H new ATOM 0 HG SER A 66 -4.712 -12.559 4.979 1.00 0.00 H new ATOM 949 N GLY A 67 -6.771 -17.542 3.944 1.00 0.00 N ATOM 950 CA GLY A 67 -6.816 -18.918 4.404 1.00 0.00 C ATOM 951 C GLY A 67 -5.572 -19.696 4.026 1.00 0.00 C ATOM 952 O GLY A 67 -4.625 -19.156 3.455 1.00 0.00 O ATOM 0 H GLY A 67 -6.854 -17.425 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.934 -18.932 5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.692 -19.411 3.981 1.00 0.00 H new ATOM 956 N PRO A 68 -5.563 -20.998 4.350 1.00 0.00 N ATOM 957 CA PRO A 68 -4.431 -21.880 4.051 1.00 0.00 C ATOM 958 C PRO A 68 -4.285 -22.150 2.558 1.00 0.00 C ATOM 959 O PRO A 68 -3.374 -22.860 2.132 1.00 0.00 O ATOM 960 CB PRO A 68 -4.780 -23.171 4.796 1.00 0.00 C ATOM 961 CG PRO A 68 -6.266 -23.155 4.904 1.00 0.00 C ATOM 962 CD PRO A 68 -6.657 -21.709 5.033 1.00 0.00 C ATOM 0 HA PRO A 68 -3.481 -21.440 4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.432 -24.049 4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.312 -23.200 5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.726 -23.607 4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.600 -23.728 5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.620 -21.510 4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.742 -21.407 6.077 1.00 0.00 H new ATOM 970 N SER A 69 -5.187 -21.579 1.767 1.00 0.00 N ATOM 971 CA SER A 69 -5.161 -21.761 0.320 1.00 0.00 C ATOM 972 C SER A 69 -3.727 -21.758 -0.201 1.00 0.00 C ATOM 973 O SER A 69 -2.941 -20.866 0.116 1.00 0.00 O ATOM 974 CB SER A 69 -5.968 -20.659 -0.369 1.00 0.00 C ATOM 975 OG SER A 69 -7.344 -20.755 -0.044 1.00 0.00 O ATOM 0 H SER A 69 -5.946 -20.986 2.104 1.00 0.00 H new ATOM 0 HA SER A 69 -5.611 -22.727 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.587 -19.683 -0.068 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.840 -20.732 -1.449 1.00 0.00 H new ATOM 0 HG SER A 69 -7.837 -20.039 -0.495 1.00 0.00 H new ATOM 981 N SER A 70 -3.394 -22.765 -1.004 1.00 0.00 N ATOM 982 CA SER A 70 -2.054 -22.882 -1.567 1.00 0.00 C ATOM 983 C SER A 70 -1.010 -23.013 -0.462 1.00 0.00 C ATOM 984 O SER A 70 0.060 -22.409 -0.529 1.00 0.00 O ATOM 985 CB SER A 70 -1.738 -21.668 -2.442 1.00 0.00 C ATOM 986 OG SER A 70 -2.485 -21.699 -3.646 1.00 0.00 O ATOM 0 H SER A 70 -4.034 -23.511 -1.279 1.00 0.00 H new ATOM 0 HA SER A 70 -2.022 -23.782 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.963 -20.753 -1.894 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.673 -21.649 -2.672 1.00 0.00 H new ATOM 0 HG SER A 70 -2.266 -20.912 -4.187 1.00 0.00 H new ATOM 992 N GLY A 71 -1.330 -23.807 0.555 1.00 0.00 N ATOM 993 CA GLY A 71 -0.410 -24.004 1.660 1.00 0.00 C ATOM 994 C GLY A 71 1.027 -24.149 1.200 1.00 0.00 C ATOM 995 O GLY A 71 1.732 -23.145 1.113 1.00 0.00 O ATOM 0 H GLY A 71 -2.210 -24.317 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.485 -23.160 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.701 -24.895 2.217 1.00 0.00 H new TER 999 GLY A 71 HETATM 1000 ZN ZN A 201 2.258 4.634 3.026 1.00 0.00 ZN HETATM 1001 ZN ZN A 401 -6.990 -3.177 -3.337 1.00 0.00 ZN