USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 479 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 17 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 22 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 14 ASN :FLIP amide:sc= -0.124 F(o=-1.4,f=-0.12) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.028) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -176:sc= -4.87! (180deg=-5.01!) USER MOD Single : A 34 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.13) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -64:sc= 0.0611 USER MOD Single : A 50 THR OG1 : rot 107:sc= 0.00799 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.0298 (180deg=-0.361) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0699) USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00891) USER MOD Single : A 58 TYR OH : rot -71:sc= 0.574 USER MOD Single : A 61 LYS NZ :NH3+ 145:sc= -0.28 (180deg=-1.98!) 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 -8.389 32.478 19.141 1.00 0.00 N ATOM 2 CA GLY A 1 -8.180 31.077 18.825 1.00 0.00 C ATOM 3 C GLY A 1 -8.137 30.820 17.332 1.00 0.00 C ATOM 4 O GLY A 1 -9.178 30.678 16.690 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.411 32.602 20.173 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.613 33.044 18.741 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.293 32.794 18.735 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.246 30.742 19.275 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.979 30.484 19.270 1.00 0.00 H new ATOM 8 N SER A 2 -6.931 30.760 16.777 1.00 0.00 N ATOM 9 CA SER A 2 -6.757 30.523 15.349 1.00 0.00 C ATOM 10 C SER A 2 -6.407 29.063 15.079 1.00 0.00 C ATOM 11 O SER A 2 -5.858 28.376 15.940 1.00 0.00 O ATOM 12 CB SER A 2 -5.662 31.434 14.789 1.00 0.00 C ATOM 13 OG SER A 2 -4.374 30.924 15.085 1.00 0.00 O ATOM 0 H SER A 2 -6.059 30.872 17.295 1.00 0.00 H new ATOM 0 HA SER A 2 -7.699 30.751 14.851 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.780 31.528 13.710 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.766 32.434 15.210 1.00 0.00 H new ATOM 0 HG SER A 2 -3.692 31.523 14.715 1.00 0.00 H new ATOM 19 N SER A 3 -6.729 28.596 13.877 1.00 0.00 N ATOM 20 CA SER A 3 -6.453 27.217 13.493 1.00 0.00 C ATOM 21 C SER A 3 -5.187 27.132 12.647 1.00 0.00 C ATOM 22 O SER A 3 -5.138 26.406 11.654 1.00 0.00 O ATOM 23 CB SER A 3 -7.637 26.633 12.720 1.00 0.00 C ATOM 24 OG SER A 3 -7.806 27.289 11.476 1.00 0.00 O ATOM 0 H SER A 3 -7.182 29.153 13.152 1.00 0.00 H new ATOM 0 HA SER A 3 -6.301 26.636 14.403 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.477 25.568 12.554 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.546 26.731 13.313 1.00 0.00 H new ATOM 0 HG SER A 3 -8.568 26.897 11.000 1.00 0.00 H new ATOM 30 N GLY A 4 -4.163 27.879 13.047 1.00 0.00 N ATOM 31 CA GLY A 4 -2.910 27.874 12.315 1.00 0.00 C ATOM 32 C GLY A 4 -3.017 28.581 10.979 1.00 0.00 C ATOM 33 O GLY A 4 -4.093 29.038 10.595 1.00 0.00 O ATOM 0 H GLY A 4 -4.179 28.488 13.865 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.139 28.356 12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.591 26.844 12.153 1.00 0.00 H new ATOM 37 N SER A 5 -1.897 28.673 10.268 1.00 0.00 N ATOM 38 CA SER A 5 -1.868 29.335 8.969 1.00 0.00 C ATOM 39 C SER A 5 -2.541 28.472 7.905 1.00 0.00 C ATOM 40 O SER A 5 -2.863 27.309 8.146 1.00 0.00 O ATOM 41 CB SER A 5 -0.425 29.637 8.559 1.00 0.00 C ATOM 42 OG SER A 5 0.375 28.469 8.610 1.00 0.00 O ATOM 0 H SER A 5 -0.998 28.297 10.570 1.00 0.00 H new ATOM 0 HA SER A 5 -2.418 30.272 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.409 30.049 7.550 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.007 30.397 9.220 1.00 0.00 H new ATOM 0 HG SER A 5 1.292 28.688 8.342 1.00 0.00 H new ATOM 48 N SER A 6 -2.749 29.052 6.728 1.00 0.00 N ATOM 49 CA SER A 6 -3.387 28.339 5.627 1.00 0.00 C ATOM 50 C SER A 6 -2.665 27.026 5.340 1.00 0.00 C ATOM 51 O SER A 6 -3.288 25.969 5.247 1.00 0.00 O ATOM 52 CB SER A 6 -3.405 29.210 4.369 1.00 0.00 C ATOM 53 OG SER A 6 -4.312 28.699 3.408 1.00 0.00 O ATOM 0 H SER A 6 -2.485 30.013 6.512 1.00 0.00 H new ATOM 0 HA SER A 6 -4.413 28.114 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.686 30.230 4.633 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.404 29.256 3.940 1.00 0.00 H new ATOM 0 HG SER A 6 -4.306 29.274 2.614 1.00 0.00 H new ATOM 59 N GLY A 7 -1.345 27.101 5.200 1.00 0.00 N ATOM 60 CA GLY A 7 -0.559 25.913 4.925 1.00 0.00 C ATOM 61 C GLY A 7 0.932 26.186 4.948 1.00 0.00 C ATOM 62 O GLY A 7 1.362 27.329 4.795 1.00 0.00 O ATOM 0 H GLY A 7 -0.806 27.964 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.796 25.146 5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.837 25.515 3.949 1.00 0.00 H new ATOM 66 N GLU A 8 1.722 25.134 5.141 1.00 0.00 N ATOM 67 CA GLU A 8 3.173 25.268 5.186 1.00 0.00 C ATOM 68 C GLU A 8 3.851 23.918 4.966 1.00 0.00 C ATOM 69 O GLU A 8 3.290 22.870 5.286 1.00 0.00 O ATOM 70 CB GLU A 8 3.612 25.859 6.527 1.00 0.00 C ATOM 71 CG GLU A 8 5.061 26.315 6.547 1.00 0.00 C ATOM 72 CD GLU A 8 5.572 26.576 7.950 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.554 25.636 8.772 1.00 0.00 O ATOM 74 OE2 GLU A 8 5.988 27.720 8.227 1.00 0.00 O ATOM 0 H GLU A 8 1.382 24.181 5.268 1.00 0.00 H new ATOM 0 HA GLU A 8 3.475 25.942 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.970 26.706 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.464 25.114 7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.683 25.556 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.160 27.224 5.954 1.00 0.00 H new ATOM 81 N PHE A 9 5.060 23.953 4.417 1.00 0.00 N ATOM 82 CA PHE A 9 5.815 22.733 4.152 1.00 0.00 C ATOM 83 C PHE A 9 6.536 22.257 5.409 1.00 0.00 C ATOM 84 O PHE A 9 7.707 22.571 5.623 1.00 0.00 O ATOM 85 CB PHE A 9 6.826 22.968 3.028 1.00 0.00 C ATOM 86 CG PHE A 9 6.205 23.001 1.661 1.00 0.00 C ATOM 87 CD1 PHE A 9 5.908 21.825 0.991 1.00 0.00 C ATOM 88 CD2 PHE A 9 5.919 24.208 1.044 1.00 0.00 C ATOM 89 CE1 PHE A 9 5.336 21.852 -0.267 1.00 0.00 C ATOM 90 CE2 PHE A 9 5.347 24.242 -0.213 1.00 0.00 C ATOM 91 CZ PHE A 9 5.056 23.062 -0.870 1.00 0.00 C ATOM 0 H PHE A 9 5.539 24.812 4.147 1.00 0.00 H new ATOM 0 HA PHE A 9 5.112 21.960 3.843 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.343 23.911 3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.579 22.181 3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.126 20.876 1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.146 25.134 1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.108 20.928 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.128 25.190 -0.682 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.610 23.086 -1.853 1.00 0.00 H new ATOM 101 N ALA A 10 5.829 21.496 6.238 1.00 0.00 N ATOM 102 CA ALA A 10 6.401 20.975 7.473 1.00 0.00 C ATOM 103 C ALA A 10 5.518 19.884 8.070 1.00 0.00 C ATOM 104 O ALA A 10 4.420 19.624 7.578 1.00 0.00 O ATOM 105 CB ALA A 10 6.604 22.100 8.477 1.00 0.00 C ATOM 0 H ALA A 10 4.859 21.227 6.076 1.00 0.00 H new ATOM 0 HA ALA A 10 7.370 20.534 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.032 21.696 9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.281 22.844 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.644 22.567 8.699 1.00 0.00 H new ATOM 111 N ILE A 11 6.005 19.249 9.130 1.00 0.00 N ATOM 112 CA ILE A 11 5.259 18.186 9.793 1.00 0.00 C ATOM 113 C ILE A 11 4.150 18.758 10.670 1.00 0.00 C ATOM 114 O ILE A 11 4.416 19.421 11.672 1.00 0.00 O ATOM 115 CB ILE A 11 6.181 17.307 10.659 1.00 0.00 C ATOM 116 CG1 ILE A 11 7.222 16.605 9.784 1.00 0.00 C ATOM 117 CG2 ILE A 11 5.362 16.289 11.438 1.00 0.00 C ATOM 118 CD1 ILE A 11 8.547 17.332 9.722 1.00 0.00 C ATOM 0 H ILE A 11 6.913 19.452 9.549 1.00 0.00 H new ATOM 0 HA ILE A 11 4.818 17.572 9.008 1.00 0.00 H new ATOM 0 HB ILE A 11 6.704 17.945 11.371 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.387 15.598 10.167 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.826 16.501 8.774 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.027 15.675 12.045 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.656 16.809 12.085 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.815 15.653 10.742 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.236 16.778 9.085 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.395 18.330 9.311 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.965 17.412 10.725 1.00 0.00 H new ATOM 130 N ASP A 12 2.906 18.495 10.286 1.00 0.00 N ATOM 131 CA ASP A 12 1.755 18.981 11.038 1.00 0.00 C ATOM 132 C ASP A 12 0.583 18.010 10.926 1.00 0.00 C ATOM 133 O ASP A 12 0.444 17.277 9.946 1.00 0.00 O ATOM 134 CB ASP A 12 1.337 20.364 10.537 1.00 0.00 C ATOM 135 CG ASP A 12 2.511 21.315 10.417 1.00 0.00 C ATOM 136 OD1 ASP A 12 3.140 21.614 11.453 1.00 0.00 O ATOM 137 OD2 ASP A 12 2.801 21.762 9.287 1.00 0.00 O ATOM 0 H ASP A 12 2.669 17.948 9.458 1.00 0.00 H new ATOM 0 HA ASP A 12 2.043 19.056 12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.853 20.264 9.565 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.599 20.787 11.219 1.00 0.00 H new ATOM 142 N PRO A 13 -0.280 18.002 11.952 1.00 0.00 N ATOM 143 CA PRO A 13 -1.454 17.125 11.993 1.00 0.00 C ATOM 144 C PRO A 13 -2.516 17.531 10.976 1.00 0.00 C ATOM 145 O PRO A 13 -3.335 16.714 10.560 1.00 0.00 O ATOM 146 CB PRO A 13 -1.982 17.305 13.418 1.00 0.00 C ATOM 147 CG PRO A 13 -1.503 18.653 13.833 1.00 0.00 C ATOM 148 CD PRO A 13 -0.176 18.848 13.153 1.00 0.00 C ATOM 0 HA PRO A 13 -1.202 16.094 11.745 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.070 17.245 13.447 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.602 16.528 14.082 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.211 19.427 13.537 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.399 18.714 14.916 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.007 19.893 12.895 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.652 18.539 13.791 1.00 0.00 H new ATOM 156 N ASN A 14 -2.495 18.800 10.581 1.00 0.00 N ATOM 157 CA ASN A 14 -3.456 19.315 9.612 1.00 0.00 C ATOM 158 C ASN A 14 -3.487 18.443 8.360 1.00 0.00 C ATOM 159 O ASN A 14 -4.553 18.026 7.909 1.00 0.00 O ATOM 160 CB ASN A 14 -3.110 20.757 9.235 1.00 0.00 C ATOM 161 CG ASN A 14 -4.286 21.492 8.622 1.00 0.00 C ATOM 162 OD1 ASN A 14 -4.779 20.986 7.497 1.00 0.00 O flip ATOM 163 ND2 ASN A 14 -4.746 22.503 9.154 1.00 0.00 N flip ATOM 0 H ASN A 14 -1.823 19.490 10.917 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.444 19.294 10.072 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.774 21.291 10.124 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.278 20.756 8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.335 22.856 10.018 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.538 22.987 8.730 1.00 0.00 H new ATOM 170 N GLU A 15 -2.310 18.172 7.805 1.00 0.00 N ATOM 171 CA GLU A 15 -2.202 17.351 6.606 1.00 0.00 C ATOM 172 C GLU A 15 -2.859 15.990 6.818 1.00 0.00 C ATOM 173 O GLU A 15 -2.517 15.244 7.735 1.00 0.00 O ATOM 174 CB GLU A 15 -0.734 17.166 6.217 1.00 0.00 C ATOM 175 CG GLU A 15 -0.192 18.280 5.337 1.00 0.00 C ATOM 176 CD GLU A 15 0.368 19.437 6.141 1.00 0.00 C ATOM 177 OE1 GLU A 15 1.117 19.182 7.107 1.00 0.00 O ATOM 178 OE2 GLU A 15 0.057 20.599 5.803 1.00 0.00 O ATOM 0 H GLU A 15 -1.418 18.509 8.167 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.722 17.865 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.132 17.105 7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.622 16.215 5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.589 17.880 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.988 18.645 4.688 1.00 0.00 H new ATOM 185 N PRO A 16 -3.826 15.658 5.949 1.00 0.00 N ATOM 186 CA PRO A 16 -4.552 14.387 6.020 1.00 0.00 C ATOM 187 C PRO A 16 -3.674 13.197 5.648 1.00 0.00 C ATOM 188 O PRO A 16 -2.473 13.345 5.417 1.00 0.00 O ATOM 189 CB PRO A 16 -5.676 14.562 4.997 1.00 0.00 C ATOM 190 CG PRO A 16 -5.156 15.570 4.031 1.00 0.00 C ATOM 191 CD PRO A 16 -4.285 16.499 4.831 1.00 0.00 C ATOM 0 HA PRO A 16 -4.905 14.176 7.029 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.909 13.620 4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.594 14.907 5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.587 15.090 3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.973 16.113 3.556 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.449 16.874 4.241 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.841 17.368 5.184 1.00 0.00 H new ATOM 199 N THR A 17 -4.280 12.015 5.590 1.00 0.00 N ATOM 200 CA THR A 17 -3.553 10.799 5.246 1.00 0.00 C ATOM 201 C THR A 17 -4.355 9.934 4.280 1.00 0.00 C ATOM 202 O THR A 17 -5.586 9.956 4.287 1.00 0.00 O ATOM 203 CB THR A 17 -3.218 9.971 6.501 1.00 0.00 C ATOM 204 OG1 THR A 17 -4.421 9.465 7.090 1.00 0.00 O ATOM 205 CG2 THR A 17 -2.464 10.813 7.519 1.00 0.00 C ATOM 0 H THR A 17 -5.273 11.874 5.777 1.00 0.00 H new ATOM 0 HA THR A 17 -2.625 11.110 4.766 1.00 0.00 H new ATOM 0 HB THR A 17 -2.583 9.138 6.201 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.199 8.938 7.886 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.238 10.207 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.535 11.172 7.077 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.078 11.664 7.814 1.00 0.00 H new ATOM 213 N TYR A 18 -3.649 9.174 3.450 1.00 0.00 N ATOM 214 CA TYR A 18 -4.296 8.302 2.476 1.00 0.00 C ATOM 215 C TYR A 18 -3.823 6.861 2.636 1.00 0.00 C ATOM 216 O TYR A 18 -4.611 5.966 2.944 1.00 0.00 O ATOM 217 CB TYR A 18 -4.009 8.790 1.055 1.00 0.00 C ATOM 218 CG TYR A 18 -4.518 10.187 0.780 1.00 0.00 C ATOM 219 CD1 TYR A 18 -3.935 11.292 1.388 1.00 0.00 C ATOM 220 CD2 TYR A 18 -5.581 10.402 -0.089 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.397 12.570 1.140 1.00 0.00 C ATOM 222 CE2 TYR A 18 -6.049 11.676 -0.343 1.00 0.00 C ATOM 223 CZ TYR A 18 -5.454 12.757 0.274 1.00 0.00 C ATOM 224 OH TYR A 18 -5.916 14.029 0.023 1.00 0.00 O ATOM 0 H TYR A 18 -2.630 9.144 3.432 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.371 8.334 2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.933 8.764 0.881 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.464 8.100 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.107 11.149 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.049 9.558 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.933 13.418 1.622 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.876 11.825 -1.021 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.663 13.987 -0.610 1.00 0.00 H new ATOM 234 N CYS A 19 -2.528 6.643 2.427 1.00 0.00 N ATOM 235 CA CYS A 19 -1.947 5.311 2.547 1.00 0.00 C ATOM 236 C CYS A 19 -2.369 4.650 3.856 1.00 0.00 C ATOM 237 O CYS A 19 -2.845 5.317 4.776 1.00 0.00 O ATOM 238 CB CYS A 19 -0.421 5.390 2.471 1.00 0.00 C ATOM 239 SG CYS A 19 0.399 3.772 2.303 1.00 0.00 S ATOM 0 H CYS A 19 -1.861 7.372 2.174 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.315 4.704 1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.142 6.017 1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.048 5.883 3.369 1.00 0.00 H new ATOM 244 N LEU A 20 -2.191 3.336 3.933 1.00 0.00 N ATOM 245 CA LEU A 20 -2.552 2.583 5.129 1.00 0.00 C ATOM 246 C LEU A 20 -1.682 2.992 6.313 1.00 0.00 C ATOM 247 O LEU A 20 -2.151 3.053 7.450 1.00 0.00 O ATOM 248 CB LEU A 20 -2.412 1.082 4.872 1.00 0.00 C ATOM 249 CG LEU A 20 -3.068 0.555 3.595 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.373 -0.712 3.122 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.550 0.300 3.822 1.00 0.00 C ATOM 0 H LEU A 20 -1.799 2.770 3.181 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.591 2.808 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.350 0.837 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.836 0.547 5.722 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.966 1.313 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.853 -1.073 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.324 -0.497 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.443 -1.476 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.000 -0.075 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.675 -0.438 4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.039 1.230 4.112 1.00 0.00 H new ATOM 263 N CYS A 21 -0.412 3.272 6.039 1.00 0.00 N ATOM 264 CA CYS A 21 0.524 3.677 7.080 1.00 0.00 C ATOM 265 C CYS A 21 0.136 5.032 7.664 1.00 0.00 C ATOM 266 O CYS A 21 0.752 5.508 8.617 1.00 0.00 O ATOM 267 CB CYS A 21 1.947 3.739 6.520 1.00 0.00 C ATOM 268 SG CYS A 21 2.187 5.015 5.242 1.00 0.00 S ATOM 0 H CYS A 21 -0.008 3.226 5.104 1.00 0.00 H new ATOM 0 HA CYS A 21 0.486 2.934 7.876 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.641 3.926 7.340 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.204 2.766 6.100 1.00 0.00 H new ATOM 273 N ASN A 22 -0.890 5.648 7.085 1.00 0.00 N ATOM 274 CA ASN A 22 -1.360 6.948 7.547 1.00 0.00 C ATOM 275 C ASN A 22 -0.275 8.009 7.385 1.00 0.00 C ATOM 276 O ASN A 22 0.089 8.689 8.343 1.00 0.00 O ATOM 277 CB ASN A 22 -1.793 6.866 9.013 1.00 0.00 C ATOM 278 CG ASN A 22 -3.051 6.040 9.199 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.995 6.141 8.415 1.00 0.00 O ATOM 280 ND2 ASN A 22 -3.069 5.216 10.240 1.00 0.00 N ATOM 0 H ASN A 22 -1.411 5.267 6.295 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.217 7.234 6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.986 6.432 9.604 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.963 7.872 9.396 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.888 4.634 10.416 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.264 5.165 10.864 1.00 0.00 H new ATOM 287 N GLN A 23 0.235 8.143 6.165 1.00 0.00 N ATOM 288 CA GLN A 23 1.278 9.121 5.877 1.00 0.00 C ATOM 289 C GLN A 23 0.853 10.053 4.747 1.00 0.00 C ATOM 290 O GLN A 23 -0.026 9.721 3.952 1.00 0.00 O ATOM 291 CB GLN A 23 2.582 8.412 5.506 1.00 0.00 C ATOM 292 CG GLN A 23 3.358 7.898 6.708 1.00 0.00 C ATOM 293 CD GLN A 23 4.080 9.003 7.453 1.00 0.00 C ATOM 294 OE1 GLN A 23 3.950 9.137 8.670 1.00 0.00 O ATOM 295 NE2 GLN A 23 4.850 9.804 6.724 1.00 0.00 N ATOM 0 H GLN A 23 -0.057 7.587 5.361 1.00 0.00 H new ATOM 0 HA GLN A 23 1.440 9.718 6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.356 7.575 4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.213 9.100 4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.673 7.393 7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.083 7.155 6.377 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.930 9.658 5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.361 10.565 7.171 1.00 0.00 H new ATOM 304 N VAL A 24 1.483 11.222 4.682 1.00 0.00 N ATOM 305 CA VAL A 24 1.171 12.202 3.649 1.00 0.00 C ATOM 306 C VAL A 24 1.634 11.722 2.278 1.00 0.00 C ATOM 307 O VAL A 24 2.617 10.991 2.165 1.00 0.00 O ATOM 308 CB VAL A 24 1.825 13.564 3.952 1.00 0.00 C ATOM 309 CG1 VAL A 24 1.303 14.126 5.266 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.340 13.431 3.984 1.00 0.00 C ATOM 0 H VAL A 24 2.213 11.513 5.333 1.00 0.00 H new ATOM 0 HA VAL A 24 0.088 12.321 3.642 1.00 0.00 H new ATOM 0 HB VAL A 24 1.561 14.260 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.776 15.088 5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.223 14.259 5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.536 13.434 6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.786 14.402 4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.627 12.720 4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.695 13.075 3.017 1.00 0.00 H new ATOM 320 N SER A 25 0.918 12.139 1.239 1.00 0.00 N ATOM 321 CA SER A 25 1.253 11.749 -0.126 1.00 0.00 C ATOM 322 C SER A 25 2.648 12.238 -0.503 1.00 0.00 C ATOM 323 O SER A 25 3.032 13.363 -0.182 1.00 0.00 O ATOM 324 CB SER A 25 0.221 12.310 -1.106 1.00 0.00 C ATOM 325 OG SER A 25 0.484 13.670 -1.402 1.00 0.00 O ATOM 0 H SER A 25 0.102 12.747 1.316 1.00 0.00 H new ATOM 0 HA SER A 25 1.241 10.660 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.234 11.726 -2.026 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.778 12.214 -0.681 1.00 0.00 H new ATOM 0 HG SER A 25 -0.189 14.004 -2.032 1.00 0.00 H new ATOM 331 N TYR A 26 3.401 11.385 -1.187 1.00 0.00 N ATOM 332 CA TYR A 26 4.755 11.727 -1.608 1.00 0.00 C ATOM 333 C TYR A 26 5.322 10.661 -2.540 1.00 0.00 C ATOM 334 O TYR A 26 4.895 9.508 -2.516 1.00 0.00 O ATOM 335 CB TYR A 26 5.664 11.890 -0.388 1.00 0.00 C ATOM 336 CG TYR A 26 6.348 10.609 0.033 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.564 10.232 -0.524 1.00 0.00 C ATOM 338 CD2 TYR A 26 5.777 9.774 0.986 1.00 0.00 C ATOM 339 CE1 TYR A 26 8.192 9.062 -0.143 1.00 0.00 C ATOM 340 CE2 TYR A 26 6.399 8.604 1.374 1.00 0.00 C ATOM 341 CZ TYR A 26 7.606 8.251 0.807 1.00 0.00 C ATOM 342 OH TYR A 26 8.227 7.085 1.190 1.00 0.00 O ATOM 0 H TYR A 26 3.097 10.451 -1.462 1.00 0.00 H new ATOM 0 HA TYR A 26 4.712 12.671 -2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.422 12.641 -0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.074 12.268 0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.026 10.865 -1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.831 10.045 1.431 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.137 8.784 -0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.943 7.968 2.118 1.00 0.00 H new ATOM 0 HH TYR A 26 7.683 6.632 1.868 1.00 0.00 H new ATOM 352 N GLY A 27 6.290 11.057 -3.362 1.00 0.00 N ATOM 353 CA GLY A 27 6.901 10.125 -4.291 1.00 0.00 C ATOM 354 C GLY A 27 5.920 9.609 -5.325 1.00 0.00 C ATOM 355 O GLY A 27 5.105 10.368 -5.849 1.00 0.00 O ATOM 0 H GLY A 27 6.661 12.006 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.733 10.614 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.316 9.283 -3.736 1.00 0.00 H new ATOM 359 N GLU A 28 5.999 8.315 -5.620 1.00 0.00 N ATOM 360 CA GLU A 28 5.112 7.701 -6.601 1.00 0.00 C ATOM 361 C GLU A 28 3.963 6.970 -5.912 1.00 0.00 C ATOM 362 O GLU A 28 4.163 6.278 -4.915 1.00 0.00 O ATOM 363 CB GLU A 28 5.891 6.727 -7.487 1.00 0.00 C ATOM 364 CG GLU A 28 6.370 5.485 -6.753 1.00 0.00 C ATOM 365 CD GLU A 28 7.658 5.720 -5.989 1.00 0.00 C ATOM 366 OE1 GLU A 28 8.080 6.890 -5.881 1.00 0.00 O ATOM 367 OE2 GLU A 28 8.244 4.732 -5.498 1.00 0.00 O ATOM 0 H GLU A 28 6.667 7.673 -5.194 1.00 0.00 H new ATOM 0 HA GLU A 28 4.696 8.494 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.259 6.424 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.753 7.244 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.596 5.156 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.520 4.678 -7.471 1.00 0.00 H new ATOM 374 N MET A 29 2.759 7.131 -6.452 1.00 0.00 N ATOM 375 CA MET A 29 1.577 6.487 -5.891 1.00 0.00 C ATOM 376 C MET A 29 0.623 6.045 -6.995 1.00 0.00 C ATOM 377 O MET A 29 0.786 6.420 -8.156 1.00 0.00 O ATOM 378 CB MET A 29 0.860 7.437 -4.930 1.00 0.00 C ATOM 379 CG MET A 29 1.469 7.469 -3.538 1.00 0.00 C ATOM 380 SD MET A 29 0.656 8.655 -2.451 1.00 0.00 S ATOM 381 CE MET A 29 -0.511 7.593 -1.603 1.00 0.00 C ATOM 0 H MET A 29 2.576 7.702 -7.277 1.00 0.00 H new ATOM 0 HA MET A 29 1.902 5.603 -5.341 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.877 8.444 -5.348 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.186 7.141 -4.853 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.407 6.475 -3.096 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.527 7.718 -3.614 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.139 8.194 -0.946 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.136 7.082 -2.335 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.031 6.855 -1.012 1.00 0.00 H new ATOM 391 N ILE A 30 -0.373 5.246 -6.625 1.00 0.00 N ATOM 392 CA ILE A 30 -1.353 4.754 -7.585 1.00 0.00 C ATOM 393 C ILE A 30 -2.775 4.973 -7.080 1.00 0.00 C ATOM 394 O ILE A 30 -3.002 5.129 -5.881 1.00 0.00 O ATOM 395 CB ILE A 30 -1.151 3.256 -7.879 1.00 0.00 C ATOM 396 CG1 ILE A 30 -1.578 2.415 -6.675 1.00 0.00 C ATOM 397 CG2 ILE A 30 0.302 2.978 -8.238 1.00 0.00 C ATOM 398 CD1 ILE A 30 -0.754 2.675 -5.433 1.00 0.00 C ATOM 0 H ILE A 30 -0.522 4.926 -5.668 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.205 5.320 -8.505 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.774 2.981 -8.730 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.626 2.617 -6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.505 1.359 -6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.429 1.915 -8.443 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.575 3.553 -9.123 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.944 3.266 -7.406 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.113 2.044 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.292 2.446 -5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.847 3.723 -5.148 1.00 0.00 H new ATOM 410 N GLY A 31 -3.731 4.983 -8.004 1.00 0.00 N ATOM 411 CA GLY A 31 -5.120 5.182 -7.633 1.00 0.00 C ATOM 412 C GLY A 31 -5.952 3.927 -7.804 1.00 0.00 C ATOM 413 O GLY A 31 -6.255 3.522 -8.926 1.00 0.00 O ATOM 0 H GLY A 31 -3.568 4.857 -9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.172 5.510 -6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.544 5.981 -8.241 1.00 0.00 H new ATOM 417 N CYS A 32 -6.320 3.307 -6.688 1.00 0.00 N ATOM 418 CA CYS A 32 -7.120 2.088 -6.717 1.00 0.00 C ATOM 419 C CYS A 32 -8.228 2.191 -7.761 1.00 0.00 C ATOM 420 O CYS A 32 -9.118 3.035 -7.656 1.00 0.00 O ATOM 421 CB CYS A 32 -7.726 1.817 -5.339 1.00 0.00 C ATOM 422 SG CYS A 32 -8.905 0.429 -5.305 1.00 0.00 S ATOM 0 H CYS A 32 -6.077 3.629 -5.751 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.465 1.259 -6.987 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.921 1.613 -4.634 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.232 2.718 -4.993 1.00 0.00 H new ATOM 427 N ASP A 33 -8.167 1.326 -8.767 1.00 0.00 N ATOM 428 CA ASP A 33 -9.166 1.317 -9.830 1.00 0.00 C ATOM 429 C ASP A 33 -10.566 1.531 -9.262 1.00 0.00 C ATOM 430 O ASP A 33 -11.401 2.194 -9.876 1.00 0.00 O ATOM 431 CB ASP A 33 -9.112 -0.004 -10.600 1.00 0.00 C ATOM 432 CG ASP A 33 -9.557 0.148 -12.041 1.00 0.00 C ATOM 433 OD1 ASP A 33 -8.761 0.657 -12.858 1.00 0.00 O ATOM 434 OD2 ASP A 33 -10.701 -0.244 -12.352 1.00 0.00 O ATOM 0 H ASP A 33 -7.436 0.622 -8.869 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.941 2.136 -10.513 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.094 -0.394 -10.576 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.746 -0.738 -10.102 1.00 0.00 H new ATOM 439 N ASN A 34 -10.815 0.965 -8.086 1.00 0.00 N ATOM 440 CA ASN A 34 -12.114 1.092 -7.435 1.00 0.00 C ATOM 441 C ASN A 34 -12.392 2.544 -7.056 1.00 0.00 C ATOM 442 O ASN A 34 -11.673 3.132 -6.249 1.00 0.00 O ATOM 443 CB ASN A 34 -12.173 0.207 -6.189 1.00 0.00 C ATOM 444 CG ASN A 34 -13.567 0.135 -5.596 1.00 0.00 C ATOM 445 OD1 ASN A 34 -14.541 -0.126 -6.302 1.00 0.00 O ATOM 446 ND2 ASN A 34 -13.668 0.368 -4.293 1.00 0.00 N ATOM 0 H ASN A 34 -10.134 0.414 -7.564 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.879 0.766 -8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.838 -0.798 -6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.482 0.593 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.580 0.334 -3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.833 0.581 -3.747 1.00 0.00 H new ATOM 453 N GLU A 35 -13.439 3.113 -7.644 1.00 0.00 N ATOM 454 CA GLU A 35 -13.812 4.496 -7.367 1.00 0.00 C ATOM 455 C GLU A 35 -14.348 4.641 -5.945 1.00 0.00 C ATOM 456 O GLU A 35 -13.985 5.571 -5.227 1.00 0.00 O ATOM 457 CB GLU A 35 -14.861 4.976 -8.371 1.00 0.00 C ATOM 458 CG GLU A 35 -16.087 4.080 -8.445 1.00 0.00 C ATOM 459 CD GLU A 35 -17.077 4.533 -9.500 1.00 0.00 C ATOM 460 OE1 GLU A 35 -17.956 5.358 -9.173 1.00 0.00 O ATOM 461 OE2 GLU A 35 -16.974 4.063 -10.653 1.00 0.00 O ATOM 0 H GLU A 35 -14.044 2.639 -8.315 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.918 5.113 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.174 5.985 -8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.405 5.036 -9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.774 3.059 -8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -16.580 4.064 -7.473 1.00 0.00 H new ATOM 468 N GLN A 36 -15.214 3.714 -5.549 1.00 0.00 N ATOM 469 CA GLN A 36 -15.802 3.739 -4.215 1.00 0.00 C ATOM 470 C GLN A 36 -14.725 3.914 -3.149 1.00 0.00 C ATOM 471 O GLN A 36 -15.006 4.353 -2.033 1.00 0.00 O ATOM 472 CB GLN A 36 -16.587 2.452 -3.956 1.00 0.00 C ATOM 473 CG GLN A 36 -17.970 2.446 -4.589 1.00 0.00 C ATOM 474 CD GLN A 36 -18.589 1.063 -4.624 1.00 0.00 C ATOM 475 OE1 GLN A 36 -18.190 0.172 -3.874 1.00 0.00 O ATOM 476 NE2 GLN A 36 -19.571 0.876 -5.498 1.00 0.00 N ATOM 0 H GLN A 36 -15.524 2.937 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 36 -16.483 4.589 -4.162 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.017 1.605 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.688 2.308 -2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -18.623 3.118 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.902 2.836 -5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.870 1.643 -6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -20.026 -0.034 -5.567 1.00 0.00 H new ATOM 485 N CYS A 37 -13.491 3.567 -3.499 1.00 0.00 N ATOM 486 CA CYS A 37 -12.371 3.685 -2.573 1.00 0.00 C ATOM 487 C CYS A 37 -12.120 5.145 -2.205 1.00 0.00 C ATOM 488 O CYS A 37 -11.699 5.955 -3.031 1.00 0.00 O ATOM 489 CB CYS A 37 -11.108 3.078 -3.188 1.00 0.00 C ATOM 490 SG CYS A 37 -9.976 2.328 -1.973 1.00 0.00 S ATOM 0 H CYS A 37 -13.241 3.202 -4.418 1.00 0.00 H new ATOM 0 HA CYS A 37 -12.624 3.138 -1.665 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -11.399 2.319 -3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -10.574 3.855 -3.735 1.00 0.00 H new ATOM 495 N PRO A 38 -12.385 5.488 -0.936 1.00 0.00 N ATOM 496 CA PRO A 38 -12.195 6.851 -0.429 1.00 0.00 C ATOM 497 C PRO A 38 -10.722 7.232 -0.328 1.00 0.00 C ATOM 498 O PRO A 38 -10.384 8.334 0.103 1.00 0.00 O ATOM 499 CB PRO A 38 -12.831 6.803 0.962 1.00 0.00 C ATOM 500 CG PRO A 38 -12.748 5.372 1.368 1.00 0.00 C ATOM 501 CD PRO A 38 -12.889 4.574 0.102 1.00 0.00 C ATOM 0 HA PRO A 38 -12.637 7.597 -1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.298 7.445 1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.865 7.148 0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.798 5.160 1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.537 5.121 2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.309 3.652 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.926 4.291 -0.081 1.00 0.00 H new ATOM 509 N ILE A 39 -9.849 6.313 -0.729 1.00 0.00 N ATOM 510 CA ILE A 39 -8.412 6.554 -0.685 1.00 0.00 C ATOM 511 C ILE A 39 -7.848 6.768 -2.085 1.00 0.00 C ATOM 512 O ILE A 39 -7.319 7.835 -2.395 1.00 0.00 O ATOM 513 CB ILE A 39 -7.666 5.385 -0.016 1.00 0.00 C ATOM 514 CG1 ILE A 39 -8.233 5.122 1.381 1.00 0.00 C ATOM 515 CG2 ILE A 39 -6.175 5.683 0.060 1.00 0.00 C ATOM 516 CD1 ILE A 39 -7.733 3.837 2.004 1.00 0.00 C ATOM 0 H ILE A 39 -10.112 5.395 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.261 7.457 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.808 4.489 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.974 5.957 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.321 5.089 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.661 4.848 0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.781 5.827 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.014 6.588 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.176 3.716 2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.015 2.993 1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.647 3.875 2.095 1.00 0.00 H new ATOM 528 N GLU A 40 -7.965 5.747 -2.928 1.00 0.00 N ATOM 529 CA GLU A 40 -7.467 5.824 -4.296 1.00 0.00 C ATOM 530 C GLU A 40 -6.062 6.418 -4.330 1.00 0.00 C ATOM 531 O GLU A 40 -5.714 7.161 -5.248 1.00 0.00 O ATOM 532 CB GLU A 40 -8.410 6.666 -5.159 1.00 0.00 C ATOM 533 CG GLU A 40 -9.687 5.941 -5.550 1.00 0.00 C ATOM 534 CD GLU A 40 -10.676 6.844 -6.261 1.00 0.00 C ATOM 535 OE1 GLU A 40 -11.332 7.658 -5.578 1.00 0.00 O ATOM 536 OE2 GLU A 40 -10.794 6.737 -7.500 1.00 0.00 O ATOM 0 H GLU A 40 -8.400 4.857 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.425 4.812 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.670 7.576 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.885 6.973 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.439 5.099 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.155 5.529 -4.656 1.00 0.00 H new ATOM 543 N TRP A 41 -5.261 6.085 -3.325 1.00 0.00 N ATOM 544 CA TRP A 41 -3.894 6.586 -3.239 1.00 0.00 C ATOM 545 C TRP A 41 -3.075 5.767 -2.247 1.00 0.00 C ATOM 546 O TRP A 41 -3.390 5.721 -1.057 1.00 0.00 O ATOM 547 CB TRP A 41 -3.893 8.059 -2.827 1.00 0.00 C ATOM 548 CG TRP A 41 -4.459 8.969 -3.875 1.00 0.00 C ATOM 549 CD1 TRP A 41 -5.580 9.742 -3.770 1.00 0.00 C ATOM 550 CD2 TRP A 41 -3.931 9.200 -5.185 1.00 0.00 C ATOM 551 NE1 TRP A 41 -5.781 10.439 -4.938 1.00 0.00 N ATOM 552 CE2 TRP A 41 -4.782 10.125 -5.821 1.00 0.00 C ATOM 553 CE3 TRP A 41 -2.820 8.717 -5.883 1.00 0.00 C ATOM 554 CZ2 TRP A 41 -4.557 10.573 -7.120 1.00 0.00 C ATOM 555 CZ3 TRP A 41 -2.598 9.163 -7.172 1.00 0.00 C ATOM 556 CH2 TRP A 41 -3.462 10.084 -7.779 1.00 0.00 C ATOM 0 H TRP A 41 -5.534 5.470 -2.558 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.437 6.492 -4.224 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.468 8.172 -1.908 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -2.871 8.366 -2.603 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.215 9.798 -2.898 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.549 11.085 -5.118 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.147 8.008 -5.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.223 11.281 -7.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.744 8.795 -7.721 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.260 10.415 -8.787 1.00 0.00 H new ATOM 567 N PHE A 42 -2.024 5.123 -2.743 1.00 0.00 N ATOM 568 CA PHE A 42 -1.161 4.305 -1.899 1.00 0.00 C ATOM 569 C PHE A 42 0.285 4.363 -2.382 1.00 0.00 C ATOM 570 O PHE A 42 0.547 4.467 -3.581 1.00 0.00 O ATOM 571 CB PHE A 42 -1.649 2.855 -1.888 1.00 0.00 C ATOM 572 CG PHE A 42 -3.075 2.705 -1.441 1.00 0.00 C ATOM 573 CD1 PHE A 42 -4.113 2.782 -2.356 1.00 0.00 C ATOM 574 CD2 PHE A 42 -3.378 2.488 -0.107 1.00 0.00 C ATOM 575 CE1 PHE A 42 -5.427 2.645 -1.948 1.00 0.00 C ATOM 576 CE2 PHE A 42 -4.689 2.350 0.307 1.00 0.00 C ATOM 577 CZ PHE A 42 -5.715 2.429 -0.615 1.00 0.00 C ATOM 0 H PHE A 42 -1.749 5.152 -3.725 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.203 4.703 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.545 2.438 -2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.007 2.269 -1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.893 2.951 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.580 2.426 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.227 2.707 -2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.911 2.181 1.350 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.740 2.322 -0.294 1.00 0.00 H new ATOM 587 N HIS A 43 1.221 4.296 -1.440 1.00 0.00 N ATOM 588 CA HIS A 43 2.641 4.341 -1.768 1.00 0.00 C ATOM 589 C HIS A 43 3.101 3.019 -2.375 1.00 0.00 C ATOM 590 O HIS A 43 2.561 1.958 -2.059 1.00 0.00 O ATOM 591 CB HIS A 43 3.465 4.657 -0.520 1.00 0.00 C ATOM 592 CG HIS A 43 3.028 5.903 0.187 1.00 0.00 C ATOM 593 ND1 HIS A 43 2.712 5.935 1.529 1.00 0.00 N ATOM 594 CD2 HIS A 43 2.856 7.166 -0.269 1.00 0.00 C ATOM 595 CE1 HIS A 43 2.363 7.164 1.868 1.00 0.00 C ATOM 596 NE2 HIS A 43 2.442 7.930 0.795 1.00 0.00 N ATOM 0 H HIS A 43 1.021 4.210 -0.443 1.00 0.00 H new ATOM 0 HA HIS A 43 2.793 5.131 -2.504 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.401 3.816 0.170 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.513 4.758 -0.803 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.015 7.509 -1.281 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.064 7.487 2.854 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.230 8.927 0.762 1.00 0.00 H new ATOM 604 N PHE A 44 4.100 3.089 -3.247 1.00 0.00 N ATOM 605 CA PHE A 44 4.631 1.898 -3.900 1.00 0.00 C ATOM 606 C PHE A 44 5.376 1.017 -2.900 1.00 0.00 C ATOM 607 O PHE A 44 5.065 -0.164 -2.745 1.00 0.00 O ATOM 608 CB PHE A 44 5.566 2.291 -5.045 1.00 0.00 C ATOM 609 CG PHE A 44 4.847 2.592 -6.329 1.00 0.00 C ATOM 610 CD1 PHE A 44 3.903 3.604 -6.389 1.00 0.00 C ATOM 611 CD2 PHE A 44 5.116 1.863 -7.476 1.00 0.00 C ATOM 612 CE1 PHE A 44 3.239 3.882 -7.569 1.00 0.00 C ATOM 613 CE2 PHE A 44 4.455 2.137 -8.659 1.00 0.00 C ATOM 614 CZ PHE A 44 3.517 3.149 -8.706 1.00 0.00 C ATOM 0 H PHE A 44 4.559 3.958 -3.518 1.00 0.00 H new ATOM 0 HA PHE A 44 3.792 1.331 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.144 3.166 -4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.277 1.483 -5.217 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.683 4.182 -5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.850 1.072 -7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.503 4.672 -7.602 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.672 1.560 -9.546 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.002 3.367 -9.630 1.00 0.00 H new ATOM 624 N SER A 45 6.361 1.601 -2.225 1.00 0.00 N ATOM 625 CA SER A 45 7.154 0.869 -1.244 1.00 0.00 C ATOM 626 C SER A 45 6.253 0.131 -0.260 1.00 0.00 C ATOM 627 O SER A 45 6.564 -0.980 0.172 1.00 0.00 O ATOM 628 CB SER A 45 8.078 1.826 -0.488 1.00 0.00 C ATOM 629 OG SER A 45 8.789 1.148 0.533 1.00 0.00 O ATOM 0 H SER A 45 6.629 2.579 -2.339 1.00 0.00 H new ATOM 0 HA SER A 45 7.759 0.135 -1.776 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.782 2.283 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.491 2.634 -0.052 1.00 0.00 H new ATOM 0 HG SER A 45 9.373 1.781 1.000 1.00 0.00 H new ATOM 635 N CYS A 46 5.133 0.755 0.091 1.00 0.00 N ATOM 636 CA CYS A 46 4.185 0.159 1.025 1.00 0.00 C ATOM 637 C CYS A 46 3.431 -0.995 0.372 1.00 0.00 C ATOM 638 O CYS A 46 3.292 -2.070 0.956 1.00 0.00 O ATOM 639 CB CYS A 46 3.195 1.214 1.521 1.00 0.00 C ATOM 640 SG CYS A 46 3.867 2.321 2.802 1.00 0.00 S ATOM 0 H CYS A 46 4.860 1.674 -0.258 1.00 0.00 H new ATOM 0 HA CYS A 46 4.746 -0.231 1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.866 1.815 0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.313 0.711 1.917 1.00 0.00 H new ATOM 645 N VAL A 47 2.945 -0.765 -0.844 1.00 0.00 N ATOM 646 CA VAL A 47 2.206 -1.785 -1.578 1.00 0.00 C ATOM 647 C VAL A 47 3.150 -2.695 -2.355 1.00 0.00 C ATOM 648 O VAL A 47 2.749 -3.342 -3.323 1.00 0.00 O ATOM 649 CB VAL A 47 1.198 -1.153 -2.556 1.00 0.00 C ATOM 650 CG1 VAL A 47 0.077 -0.462 -1.796 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.902 -0.178 -3.489 1.00 0.00 C ATOM 0 H VAL A 47 3.050 0.119 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 47 1.663 -2.375 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 47 0.758 -1.946 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.625 -0.022 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.444 -1.190 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.495 0.322 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.175 0.260 -4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.370 0.613 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.665 -0.707 -4.060 1.00 0.00 H new ATOM 661 N SER A 48 4.407 -2.741 -1.925 1.00 0.00 N ATOM 662 CA SER A 48 5.410 -3.570 -2.582 1.00 0.00 C ATOM 663 C SER A 48 5.304 -3.451 -4.099 1.00 0.00 C ATOM 664 O SER A 48 5.197 -4.454 -4.807 1.00 0.00 O ATOM 665 CB SER A 48 5.250 -5.032 -2.161 1.00 0.00 C ATOM 666 OG SER A 48 6.380 -5.799 -2.539 1.00 0.00 O ATOM 0 H SER A 48 4.755 -2.214 -1.124 1.00 0.00 H new ATOM 0 HA SER A 48 6.395 -3.217 -2.275 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.112 -5.090 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.354 -5.450 -2.619 1.00 0.00 H new ATOM 0 HG SER A 48 6.451 -5.817 -3.516 1.00 0.00 H new ATOM 672 N LEU A 49 5.334 -2.218 -4.593 1.00 0.00 N ATOM 673 CA LEU A 49 5.240 -1.966 -6.027 1.00 0.00 C ATOM 674 C LEU A 49 6.559 -1.429 -6.572 1.00 0.00 C ATOM 675 O LEU A 49 7.057 -0.397 -6.119 1.00 0.00 O ATOM 676 CB LEU A 49 4.113 -0.974 -6.318 1.00 0.00 C ATOM 677 CG LEU A 49 2.756 -1.585 -6.669 1.00 0.00 C ATOM 678 CD1 LEU A 49 1.748 -0.494 -6.998 1.00 0.00 C ATOM 679 CD2 LEU A 49 2.892 -2.555 -7.834 1.00 0.00 C ATOM 0 H LEU A 49 5.423 -1.377 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 49 5.020 -2.911 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.986 -0.333 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.424 -0.332 -7.142 1.00 0.00 H new ATOM 0 HG LEU A 49 2.394 -2.138 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.788 -0.948 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.628 0.162 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.105 0.086 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.916 -2.980 -8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.277 -2.025 -8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.580 -3.355 -7.563 1.00 0.00 H new ATOM 691 N THR A 50 7.121 -2.133 -7.550 1.00 0.00 N ATOM 692 CA THR A 50 8.382 -1.727 -8.158 1.00 0.00 C ATOM 693 C THR A 50 8.149 -0.753 -9.308 1.00 0.00 C ATOM 694 O THR A 50 8.969 0.129 -9.562 1.00 0.00 O ATOM 695 CB THR A 50 9.171 -2.942 -8.681 1.00 0.00 C ATOM 696 OG1 THR A 50 8.436 -3.590 -9.725 1.00 0.00 O ATOM 697 CG2 THR A 50 9.447 -3.931 -7.559 1.00 0.00 C ATOM 0 H THR A 50 6.722 -2.988 -7.938 1.00 0.00 H new ATOM 0 HA THR A 50 8.964 -1.234 -7.379 1.00 0.00 H new ATOM 0 HB THR A 50 10.124 -2.588 -9.074 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.863 -3.407 -10.588 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.005 -4.781 -7.952 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.031 -3.443 -6.779 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.503 -4.279 -7.141 1.00 0.00 H new ATOM 705 N TYR A 51 7.026 -0.919 -9.999 1.00 0.00 N ATOM 706 CA TYR A 51 6.687 -0.055 -11.123 1.00 0.00 C ATOM 707 C TYR A 51 5.187 -0.086 -11.400 1.00 0.00 C ATOM 708 O TYR A 51 4.543 -1.129 -11.283 1.00 0.00 O ATOM 709 CB TYR A 51 7.457 -0.484 -12.373 1.00 0.00 C ATOM 710 CG TYR A 51 7.561 -1.983 -12.536 1.00 0.00 C ATOM 711 CD1 TYR A 51 6.494 -2.724 -13.028 1.00 0.00 C ATOM 712 CD2 TYR A 51 8.727 -2.659 -12.198 1.00 0.00 C ATOM 713 CE1 TYR A 51 6.584 -4.095 -13.178 1.00 0.00 C ATOM 714 CE2 TYR A 51 8.827 -4.029 -12.346 1.00 0.00 C ATOM 715 CZ TYR A 51 7.753 -4.742 -12.835 1.00 0.00 C ATOM 716 OH TYR A 51 7.848 -6.107 -12.984 1.00 0.00 O ATOM 0 H TYR A 51 6.336 -1.643 -9.800 1.00 0.00 H new ATOM 0 HA TYR A 51 6.969 0.965 -10.863 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.968 -0.065 -13.252 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.461 -0.061 -12.334 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.578 -2.220 -13.298 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.570 -2.104 -11.813 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.745 -4.656 -13.561 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.741 -4.539 -12.080 1.00 0.00 H new ATOM 0 HH TYR A 51 8.737 -6.406 -12.699 1.00 0.00 H new ATOM 726 N LYS A 52 4.636 1.065 -11.769 1.00 0.00 N ATOM 727 CA LYS A 52 3.212 1.173 -12.065 1.00 0.00 C ATOM 728 C LYS A 52 2.689 -0.115 -12.694 1.00 0.00 C ATOM 729 O LYS A 52 3.195 -0.588 -13.712 1.00 0.00 O ATOM 730 CB LYS A 52 2.954 2.353 -13.004 1.00 0.00 C ATOM 731 CG LYS A 52 2.703 3.664 -12.279 1.00 0.00 C ATOM 732 CD LYS A 52 1.328 3.689 -11.632 1.00 0.00 C ATOM 733 CE LYS A 52 0.225 3.816 -12.671 1.00 0.00 C ATOM 734 NZ LYS A 52 0.295 5.114 -13.398 1.00 0.00 N ATOM 0 H LYS A 52 5.154 1.938 -11.870 1.00 0.00 H new ATOM 0 HA LYS A 52 2.682 1.340 -11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.811 2.473 -13.667 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.093 2.125 -13.633 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.468 3.811 -11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.790 4.492 -12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.181 2.777 -11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.269 4.523 -10.933 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.302 2.996 -13.384 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.746 3.725 -12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.621 5.309 -13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.519 5.876 -12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.036 5.065 -14.126 1.00 0.00 H new ATOM 748 N PRO A 53 1.650 -0.696 -12.077 1.00 0.00 N ATOM 749 CA PRO A 53 1.034 -1.935 -12.560 1.00 0.00 C ATOM 750 C PRO A 53 0.271 -1.733 -13.865 1.00 0.00 C ATOM 751 O PRO A 53 -0.451 -0.749 -14.028 1.00 0.00 O ATOM 752 CB PRO A 53 0.072 -2.317 -11.432 1.00 0.00 C ATOM 753 CG PRO A 53 -0.246 -1.029 -10.754 1.00 0.00 C ATOM 754 CD PRO A 53 0.995 -0.188 -10.859 1.00 0.00 C ATOM 0 HA PRO A 53 1.778 -2.700 -12.781 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.828 -2.792 -11.823 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.532 -3.025 -10.742 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.093 -0.536 -11.231 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.519 -1.194 -9.712 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.756 0.872 -10.944 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.633 -0.302 -9.982 1.00 0.00 H new ATOM 762 N LYS A 54 0.436 -2.671 -14.792 1.00 0.00 N ATOM 763 CA LYS A 54 -0.238 -2.597 -16.083 1.00 0.00 C ATOM 764 C LYS A 54 -1.703 -3.004 -15.956 1.00 0.00 C ATOM 765 O LYS A 54 -2.042 -3.909 -15.194 1.00 0.00 O ATOM 766 CB LYS A 54 0.466 -3.497 -17.101 1.00 0.00 C ATOM 767 CG LYS A 54 1.708 -2.871 -17.709 1.00 0.00 C ATOM 768 CD LYS A 54 2.036 -3.482 -19.061 1.00 0.00 C ATOM 769 CE LYS A 54 3.281 -2.855 -19.669 1.00 0.00 C ATOM 770 NZ LYS A 54 3.053 -1.437 -20.061 1.00 0.00 N ATOM 0 H LYS A 54 1.031 -3.491 -14.673 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.195 -1.564 -16.429 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.742 -4.434 -16.616 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.234 -3.745 -17.899 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.558 -1.797 -17.821 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.553 -3.006 -17.033 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.186 -4.556 -18.949 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.192 -3.346 -19.737 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.100 -2.906 -18.952 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.586 -3.429 -20.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.869 -1.092 -20.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.194 -1.372 -20.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.937 -0.855 -19.207 1.00 0.00 H new ATOM 784 N GLY A 55 -2.567 -2.331 -16.709 1.00 0.00 N ATOM 785 CA GLY A 55 -3.985 -2.638 -16.667 1.00 0.00 C ATOM 786 C GLY A 55 -4.702 -1.913 -15.545 1.00 0.00 C ATOM 787 O GLY A 55 -5.020 -0.729 -15.664 1.00 0.00 O ATOM 0 H GLY A 55 -2.310 -1.578 -17.348 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.441 -2.368 -17.620 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.117 -3.713 -16.544 1.00 0.00 H new ATOM 791 N LYS A 56 -4.960 -2.624 -14.453 1.00 0.00 N ATOM 792 CA LYS A 56 -5.644 -2.042 -13.304 1.00 0.00 C ATOM 793 C LYS A 56 -5.038 -2.544 -11.998 1.00 0.00 C ATOM 794 O LYS A 56 -4.473 -3.636 -11.944 1.00 0.00 O ATOM 795 CB LYS A 56 -7.136 -2.381 -13.349 1.00 0.00 C ATOM 796 CG LYS A 56 -7.426 -3.868 -13.242 1.00 0.00 C ATOM 797 CD LYS A 56 -7.372 -4.545 -14.601 1.00 0.00 C ATOM 798 CE LYS A 56 -7.670 -6.033 -14.495 1.00 0.00 C ATOM 799 NZ LYS A 56 -9.113 -6.292 -14.233 1.00 0.00 N ATOM 0 H LYS A 56 -4.706 -3.605 -14.339 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.521 -0.960 -13.349 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.643 -1.861 -12.536 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.558 -2.003 -14.280 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.702 -4.334 -12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.411 -4.017 -12.799 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.092 -4.076 -15.271 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.385 -4.401 -15.041 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.374 -6.529 -15.419 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.072 -6.467 -13.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.288 -7.317 -14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.374 -5.898 -13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.687 -5.842 -14.974 1.00 0.00 H new ATOM 813 N TRP A 57 -5.159 -1.740 -10.948 1.00 0.00 N ATOM 814 CA TRP A 57 -4.623 -2.104 -9.641 1.00 0.00 C ATOM 815 C TRP A 57 -5.630 -1.802 -8.537 1.00 0.00 C ATOM 816 O TRP A 57 -6.085 -0.667 -8.391 1.00 0.00 O ATOM 817 CB TRP A 57 -3.317 -1.353 -9.375 1.00 0.00 C ATOM 818 CG TRP A 57 -2.691 -1.699 -8.058 1.00 0.00 C ATOM 819 CD1 TRP A 57 -1.818 -2.719 -7.808 1.00 0.00 C ATOM 820 CD2 TRP A 57 -2.891 -1.024 -6.811 1.00 0.00 C ATOM 821 NE1 TRP A 57 -1.464 -2.719 -6.480 1.00 0.00 N ATOM 822 CE2 TRP A 57 -2.108 -1.689 -5.848 1.00 0.00 C ATOM 823 CE3 TRP A 57 -3.654 0.078 -6.415 1.00 0.00 C ATOM 824 CZ2 TRP A 57 -2.068 -1.287 -4.515 1.00 0.00 C ATOM 825 CZ3 TRP A 57 -3.614 0.474 -5.092 1.00 0.00 C ATOM 826 CH2 TRP A 57 -2.826 -0.206 -4.155 1.00 0.00 C ATOM 0 H TRP A 57 -5.623 -0.832 -10.976 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.424 -3.176 -9.643 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.610 -1.574 -10.175 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.510 -0.281 -9.407 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.459 -3.422 -8.545 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.825 -3.379 -6.037 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.264 0.610 -7.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.460 -1.810 -3.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.201 1.323 -4.775 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.816 0.129 -3.128 1.00 0.00 H new ATOM 837 N TYR A 58 -5.975 -2.824 -7.761 1.00 0.00 N ATOM 838 CA TYR A 58 -6.931 -2.668 -6.671 1.00 0.00 C ATOM 839 C TYR A 58 -6.240 -2.801 -5.318 1.00 0.00 C ATOM 840 O TYR A 58 -5.704 -3.858 -4.981 1.00 0.00 O ATOM 841 CB TYR A 58 -8.047 -3.708 -6.791 1.00 0.00 C ATOM 842 CG TYR A 58 -9.062 -3.385 -7.864 1.00 0.00 C ATOM 843 CD1 TYR A 58 -8.818 -3.699 -9.195 1.00 0.00 C ATOM 844 CD2 TYR A 58 -10.265 -2.766 -7.547 1.00 0.00 C ATOM 845 CE1 TYR A 58 -9.742 -3.406 -10.179 1.00 0.00 C ATOM 846 CE2 TYR A 58 -11.195 -2.471 -8.524 1.00 0.00 C ATOM 847 CZ TYR A 58 -10.930 -2.793 -9.839 1.00 0.00 C ATOM 848 OH TYR A 58 -11.853 -2.499 -10.815 1.00 0.00 O ATOM 0 H TYR A 58 -5.607 -3.769 -7.867 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.364 -1.670 -6.741 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.604 -4.681 -7.003 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.558 -3.792 -5.832 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.890 -4.181 -9.465 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.476 -2.511 -6.519 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.535 -3.656 -11.209 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.125 -1.990 -8.260 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.519 -1.764 -11.371 1.00 0.00 H new ATOM 858 N CYS A 59 -6.256 -1.721 -4.544 1.00 0.00 N ATOM 859 CA CYS A 59 -5.632 -1.713 -3.227 1.00 0.00 C ATOM 860 C CYS A 59 -5.850 -3.045 -2.514 1.00 0.00 C ATOM 861 O CYS A 59 -6.796 -3.781 -2.796 1.00 0.00 O ATOM 862 CB CYS A 59 -6.195 -0.571 -2.379 1.00 0.00 C ATOM 863 SG CYS A 59 -7.892 -0.855 -1.781 1.00 0.00 S ATOM 0 H CYS A 59 -6.695 -0.839 -4.807 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.561 -1.563 -3.361 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.541 -0.413 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.177 0.347 -2.967 1.00 0.00 H new ATOM 868 N PRO A 60 -4.953 -3.364 -1.569 1.00 0.00 N ATOM 869 CA PRO A 60 -5.026 -4.607 -0.796 1.00 0.00 C ATOM 870 C PRO A 60 -6.202 -4.618 0.176 1.00 0.00 C ATOM 871 O PRO A 60 -6.392 -5.575 0.926 1.00 0.00 O ATOM 872 CB PRO A 60 -3.700 -4.628 -0.031 1.00 0.00 C ATOM 873 CG PRO A 60 -3.301 -3.197 0.074 1.00 0.00 C ATOM 874 CD PRO A 60 -3.800 -2.534 -1.180 1.00 0.00 C ATOM 0 HA PRO A 60 -5.178 -5.476 -1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.818 -5.079 0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.947 -5.211 -0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.737 -2.735 0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.219 -3.099 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.092 -1.500 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.036 -2.518 -1.957 1.00 0.00 H new ATOM 882 N LYS A 61 -6.989 -3.548 0.157 1.00 0.00 N ATOM 883 CA LYS A 61 -8.147 -3.434 1.035 1.00 0.00 C ATOM 884 C LYS A 61 -9.427 -3.815 0.298 1.00 0.00 C ATOM 885 O LYS A 61 -10.375 -4.322 0.900 1.00 0.00 O ATOM 886 CB LYS A 61 -8.264 -2.007 1.577 1.00 0.00 C ATOM 887 CG LYS A 61 -7.561 -1.803 2.908 1.00 0.00 C ATOM 888 CD LYS A 61 -8.267 -0.761 3.758 1.00 0.00 C ATOM 889 CE LYS A 61 -7.872 0.651 3.351 1.00 0.00 C ATOM 890 NZ LYS A 61 -8.100 1.629 4.450 1.00 0.00 N ATOM 0 H LYS A 61 -6.846 -2.747 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.009 -4.123 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.848 -1.314 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.319 -1.755 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.522 -2.749 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.531 -1.493 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.346 -0.881 3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.022 -0.920 4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.820 0.666 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.446 0.950 2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.358 2.357 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.030 2.078 4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.072 1.136 5.365 1.00 0.00 H new ATOM 904 N CYS A 62 -9.449 -3.569 -1.007 1.00 0.00 N ATOM 905 CA CYS A 62 -10.612 -3.888 -1.827 1.00 0.00 C ATOM 906 C CYS A 62 -10.512 -5.304 -2.387 1.00 0.00 C ATOM 907 O CYS A 62 -11.518 -6.000 -2.525 1.00 0.00 O ATOM 908 CB CYS A 62 -10.745 -2.883 -2.973 1.00 0.00 C ATOM 909 SG CYS A 62 -11.179 -1.197 -2.437 1.00 0.00 S ATOM 0 H CYS A 62 -8.674 -3.149 -1.520 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.498 -3.828 -1.195 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -9.804 -2.847 -3.522 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.506 -3.239 -3.668 1.00 0.00 H new ATOM 914 N ARG A 63 -9.292 -5.723 -2.706 1.00 0.00 N ATOM 915 CA ARG A 63 -9.060 -7.055 -3.252 1.00 0.00 C ATOM 916 C ARG A 63 -8.997 -8.095 -2.137 1.00 0.00 C ATOM 917 O ARG A 63 -8.443 -9.179 -2.316 1.00 0.00 O ATOM 918 CB ARG A 63 -7.762 -7.079 -4.061 1.00 0.00 C ATOM 919 CG ARG A 63 -6.510 -6.979 -3.206 1.00 0.00 C ATOM 920 CD ARG A 63 -5.302 -7.572 -3.915 1.00 0.00 C ATOM 921 NE ARG A 63 -4.674 -6.612 -4.820 1.00 0.00 N ATOM 922 CZ ARG A 63 -3.974 -6.964 -5.893 1.00 0.00 C ATOM 923 NH1 ARG A 63 -3.815 -8.245 -6.195 1.00 0.00 N ATOM 924 NH2 ARG A 63 -3.433 -6.032 -6.668 1.00 0.00 N ATOM 0 H ARG A 63 -8.449 -5.160 -2.596 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.894 -7.302 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.723 -8.001 -4.642 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.772 -6.254 -4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.315 -5.934 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.671 -7.499 -2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.573 -7.903 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.608 -8.454 -4.477 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.779 -5.618 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.231 -8.964 -5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.277 -8.512 -7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.555 -5.045 -6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.896 -6.303 -7.492 1.00 0.00 H new ATOM 938 N GLY A 64 -9.569 -7.757 -0.986 1.00 0.00 N ATOM 939 CA GLY A 64 -9.566 -8.672 0.141 1.00 0.00 C ATOM 940 C GLY A 64 -9.369 -7.960 1.465 1.00 0.00 C ATOM 941 O GLY A 64 -8.353 -7.299 1.677 1.00 0.00 O ATOM 0 H GLY A 64 -10.035 -6.866 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.508 -9.220 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.773 -9.407 0.006 1.00 0.00 H new ATOM 945 N ASP A 65 -10.345 -8.093 2.357 1.00 0.00 N ATOM 946 CA ASP A 65 -10.275 -7.457 3.667 1.00 0.00 C ATOM 947 C ASP A 65 -8.948 -7.768 4.352 1.00 0.00 C ATOM 948 O ASP A 65 -8.164 -6.865 4.647 1.00 0.00 O ATOM 949 CB ASP A 65 -11.437 -7.922 4.546 1.00 0.00 C ATOM 950 CG ASP A 65 -12.786 -7.511 3.988 1.00 0.00 C ATOM 951 OD1 ASP A 65 -12.859 -6.446 3.339 1.00 0.00 O ATOM 952 OD2 ASP A 65 -13.768 -8.252 4.201 1.00 0.00 O ATOM 0 H ASP A 65 -11.194 -8.636 2.196 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.346 -6.379 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.403 -9.007 4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.320 -7.508 5.547 1.00 0.00 H new ATOM 957 N SER A 66 -8.703 -9.050 4.603 1.00 0.00 N ATOM 958 CA SER A 66 -7.472 -9.479 5.257 1.00 0.00 C ATOM 959 C SER A 66 -6.672 -10.412 4.352 1.00 0.00 C ATOM 960 O SER A 66 -5.508 -10.154 4.051 1.00 0.00 O ATOM 961 CB SER A 66 -7.791 -10.182 6.578 1.00 0.00 C ATOM 962 OG SER A 66 -7.829 -9.257 7.651 1.00 0.00 O ATOM 0 H SER A 66 -9.340 -9.810 4.364 1.00 0.00 H new ATOM 0 HA SER A 66 -6.870 -8.594 5.460 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.751 -10.693 6.500 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.039 -10.946 6.778 1.00 0.00 H new ATOM 0 HG SER A 66 -8.036 -9.730 8.484 1.00 0.00 H new ATOM 968 N GLY A 67 -7.308 -11.498 3.923 1.00 0.00 N ATOM 969 CA GLY A 67 -6.641 -12.453 3.057 1.00 0.00 C ATOM 970 C GLY A 67 -7.602 -13.459 2.455 1.00 0.00 C ATOM 971 O GLY A 67 -7.792 -13.518 1.240 1.00 0.00 O ATOM 0 H GLY A 67 -8.272 -11.733 4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.131 -11.918 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.876 -12.981 3.625 1.00 0.00 H new ATOM 975 N PRO A 68 -8.227 -14.275 3.317 1.00 0.00 N ATOM 976 CA PRO A 68 -9.183 -15.299 2.886 1.00 0.00 C ATOM 977 C PRO A 68 -10.483 -14.696 2.363 1.00 0.00 C ATOM 978 O PRO A 68 -11.400 -15.418 1.973 1.00 0.00 O ATOM 979 CB PRO A 68 -9.443 -16.102 4.163 1.00 0.00 C ATOM 980 CG PRO A 68 -9.155 -15.152 5.273 1.00 0.00 C ATOM 981 CD PRO A 68 -8.049 -14.260 4.778 1.00 0.00 C ATOM 0 HA PRO A 68 -8.795 -15.897 2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.472 -16.458 4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.799 -16.980 4.216 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.041 -14.570 5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.853 -15.685 6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.134 -13.252 5.183 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.068 -14.638 5.067 1.00 0.00 H new ATOM 989 N SER A 69 -10.553 -13.368 2.356 1.00 0.00 N ATOM 990 CA SER A 69 -11.742 -12.668 1.884 1.00 0.00 C ATOM 991 C SER A 69 -11.587 -12.261 0.422 1.00 0.00 C ATOM 992 O SER A 69 -10.750 -11.423 0.085 1.00 0.00 O ATOM 993 CB SER A 69 -12.007 -11.432 2.745 1.00 0.00 C ATOM 994 OG SER A 69 -12.172 -11.785 4.107 1.00 0.00 O ATOM 0 H SER A 69 -9.801 -12.756 2.672 1.00 0.00 H new ATOM 0 HA SER A 69 -12.591 -13.347 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.178 -10.731 2.646 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.901 -10.921 2.388 1.00 0.00 H new ATOM 0 HG SER A 69 -12.338 -10.977 4.636 1.00 0.00 H new ATOM 1000 N SER A 70 -12.400 -12.859 -0.442 1.00 0.00 N ATOM 1001 CA SER A 70 -12.352 -12.562 -1.869 1.00 0.00 C ATOM 1002 C SER A 70 -10.921 -12.636 -2.391 1.00 0.00 C ATOM 1003 O SER A 70 -10.494 -11.800 -3.186 1.00 0.00 O ATOM 1004 CB SER A 70 -12.936 -11.174 -2.142 1.00 0.00 C ATOM 1005 OG SER A 70 -14.340 -11.164 -1.949 1.00 0.00 O ATOM 0 H SER A 70 -13.100 -13.552 -0.179 1.00 0.00 H new ATOM 0 HA SER A 70 -12.950 -13.309 -2.391 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.470 -10.443 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.704 -10.873 -3.164 1.00 0.00 H new ATOM 0 HG SER A 70 -14.688 -10.266 -2.128 1.00 0.00 H new ATOM 1011 N GLY A 71 -10.184 -13.646 -1.938 1.00 0.00 N ATOM 1012 CA GLY A 71 -8.808 -13.812 -2.369 1.00 0.00 C ATOM 1013 C GLY A 71 -8.659 -14.883 -3.432 1.00 0.00 C ATOM 1014 O GLY A 71 -8.993 -16.037 -3.170 1.00 0.00 O ATOM 0 H GLY A 71 -10.515 -14.352 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.435 -12.864 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.190 -14.069 -1.509 1.00 0.00 H new TER 1018 GLY A 71 HETATM 1019 ZN ZN A 201 2.546 4.215 3.090 1.00 0.00 ZN HETATM 1020 ZN ZN A 401 -9.481 0.274 -3.053 1.00 0.00 ZN