USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 540 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 28 HIS HE2 : A 28 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 31 ASN : amide:sc= -0.0417 K(o=-0.042,f=-1.1!) 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=-0.00334 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 14 ASN : amide:sc= -0.341 K(o=-0.34,f=-1.5) USER MOD Single : A 19 SER OG : rot 14:sc= 1.04 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN :FLIP amide:sc= -0.705 F(o=-1.3,f=-0.7) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -149:sc= 0.162 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0823) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 20:sc= 1.06 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.282 11.114 20.660 1.00 0.00 N ATOM 2 CA GLY A 1 8.197 11.323 19.553 1.00 0.00 C ATOM 3 C GLY A 1 7.481 11.420 18.221 1.00 0.00 C ATOM 4 O GLY A 1 7.744 10.637 17.308 1.00 0.00 O ATOM 0 H1 GLY A 1 7.820 11.054 21.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.613 11.909 20.713 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.756 10.229 20.513 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.766 12.237 19.724 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.914 10.503 19.518 1.00 0.00 H new ATOM 8 N SER A 2 6.571 12.383 18.108 1.00 0.00 N ATOM 9 CA SER A 2 5.811 12.577 16.879 1.00 0.00 C ATOM 10 C SER A 2 6.224 13.870 16.183 1.00 0.00 C ATOM 11 O SER A 2 5.382 14.608 15.669 1.00 0.00 O ATOM 12 CB SER A 2 4.311 12.603 17.181 1.00 0.00 C ATOM 13 OG SER A 2 3.888 11.384 17.766 1.00 0.00 O ATOM 0 H SER A 2 6.342 13.041 18.853 1.00 0.00 H new ATOM 0 HA SER A 2 6.026 11.742 16.212 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.087 13.430 17.854 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.755 12.781 16.261 1.00 0.00 H new ATOM 0 HG SER A 2 2.927 11.426 17.951 1.00 0.00 H new ATOM 19 N SER A 3 7.525 14.139 16.171 1.00 0.00 N ATOM 20 CA SER A 3 8.051 15.345 15.542 1.00 0.00 C ATOM 21 C SER A 3 8.789 15.007 14.251 1.00 0.00 C ATOM 22 O SER A 3 9.960 14.630 14.272 1.00 0.00 O ATOM 23 CB SER A 3 8.989 16.079 16.502 1.00 0.00 C ATOM 24 OG SER A 3 9.426 17.308 15.948 1.00 0.00 O ATOM 0 H SER A 3 8.235 13.538 16.590 1.00 0.00 H new ATOM 0 HA SER A 3 7.210 15.995 15.300 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.476 16.264 17.446 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.851 15.450 16.725 1.00 0.00 H new ATOM 0 HG SER A 3 10.023 17.758 16.581 1.00 0.00 H new ATOM 30 N GLY A 4 8.095 15.144 13.125 1.00 0.00 N ATOM 31 CA GLY A 4 8.699 14.849 11.839 1.00 0.00 C ATOM 32 C GLY A 4 8.549 15.990 10.852 1.00 0.00 C ATOM 33 O GLY A 4 7.751 15.910 9.919 1.00 0.00 O ATOM 0 H GLY A 4 7.124 15.454 13.081 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.758 14.631 11.980 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.242 13.951 11.424 1.00 0.00 H new ATOM 37 N SER A 5 9.316 17.055 11.060 1.00 0.00 N ATOM 38 CA SER A 5 9.261 18.219 10.184 1.00 0.00 C ATOM 39 C SER A 5 10.175 18.035 8.976 1.00 0.00 C ATOM 40 O SER A 5 10.978 18.909 8.652 1.00 0.00 O ATOM 41 CB SER A 5 9.660 19.481 10.952 1.00 0.00 C ATOM 42 OG SER A 5 11.013 19.417 11.370 1.00 0.00 O ATOM 0 H SER A 5 9.983 17.136 11.828 1.00 0.00 H new ATOM 0 HA SER A 5 8.236 18.327 9.829 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.512 20.357 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.013 19.602 11.821 1.00 0.00 H new ATOM 0 HG SER A 5 11.244 20.236 11.857 1.00 0.00 H new ATOM 48 N SER A 6 10.045 16.889 8.314 1.00 0.00 N ATOM 49 CA SER A 6 10.861 16.587 7.144 1.00 0.00 C ATOM 50 C SER A 6 10.089 16.861 5.857 1.00 0.00 C ATOM 51 O SER A 6 10.626 17.428 4.906 1.00 0.00 O ATOM 52 CB SER A 6 11.317 15.127 7.177 1.00 0.00 C ATOM 53 OG SER A 6 12.546 14.991 7.868 1.00 0.00 O ATOM 0 H SER A 6 9.383 16.156 8.568 1.00 0.00 H new ATOM 0 HA SER A 6 11.737 17.235 7.166 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.555 14.516 7.661 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.426 14.754 6.159 1.00 0.00 H new ATOM 0 HG SER A 6 12.814 14.048 7.876 1.00 0.00 H new ATOM 59 N GLY A 7 8.823 16.455 5.835 1.00 0.00 N ATOM 60 CA GLY A 7 7.996 16.665 4.662 1.00 0.00 C ATOM 61 C GLY A 7 8.213 15.602 3.602 1.00 0.00 C ATOM 62 O GLY A 7 9.126 15.709 2.784 1.00 0.00 O ATOM 0 H GLY A 7 8.356 15.984 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.947 16.671 4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.213 17.646 4.239 1.00 0.00 H new ATOM 66 N MET A 8 7.372 14.573 3.618 1.00 0.00 N ATOM 67 CA MET A 8 7.476 13.486 2.651 1.00 0.00 C ATOM 68 C MET A 8 6.150 12.744 2.523 1.00 0.00 C ATOM 69 O MET A 8 5.437 12.552 3.508 1.00 0.00 O ATOM 70 CB MET A 8 8.582 12.513 3.064 1.00 0.00 C ATOM 71 CG MET A 8 9.156 11.718 1.903 1.00 0.00 C ATOM 72 SD MET A 8 10.314 10.444 2.438 1.00 0.00 S ATOM 73 CE MET A 8 11.867 11.139 1.877 1.00 0.00 C ATOM 0 H MET A 8 6.611 14.469 4.290 1.00 0.00 H new ATOM 0 HA MET A 8 7.725 13.917 1.681 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.386 13.072 3.544 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.187 11.821 3.808 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.341 11.253 1.348 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.661 12.398 1.217 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.682 10.464 2.136 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.836 11.273 0.796 1.00 0.00 H new ATOM 0 HE3 MET A 8 12.029 12.104 2.358 1.00 0.00 H new ATOM 83 N VAL A 9 5.826 12.327 1.303 1.00 0.00 N ATOM 84 CA VAL A 9 4.586 11.605 1.046 1.00 0.00 C ATOM 85 C VAL A 9 4.711 10.139 1.446 1.00 0.00 C ATOM 86 O VAL A 9 5.723 9.494 1.172 1.00 0.00 O ATOM 87 CB VAL A 9 4.185 11.688 -0.439 1.00 0.00 C ATOM 88 CG1 VAL A 9 3.019 10.755 -0.731 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.840 13.120 -0.818 1.00 0.00 C ATOM 0 H VAL A 9 6.405 12.477 0.477 1.00 0.00 H new ATOM 0 HA VAL A 9 3.813 12.079 1.650 1.00 0.00 H new ATOM 0 HB VAL A 9 5.034 11.370 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.750 10.828 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.307 9.729 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.164 11.039 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.559 13.160 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.007 13.468 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.706 13.760 -0.649 1.00 0.00 H new ATOM 99 N PHE A 10 3.675 9.619 2.096 1.00 0.00 N ATOM 100 CA PHE A 10 3.669 8.228 2.535 1.00 0.00 C ATOM 101 C PHE A 10 2.560 7.443 1.839 1.00 0.00 C ATOM 102 O PHE A 10 1.682 8.022 1.200 1.00 0.00 O ATOM 103 CB PHE A 10 3.489 8.151 4.052 1.00 0.00 C ATOM 104 CG PHE A 10 4.746 8.441 4.821 1.00 0.00 C ATOM 105 CD1 PHE A 10 5.086 9.742 5.154 1.00 0.00 C ATOM 106 CD2 PHE A 10 5.589 7.412 5.210 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.242 10.013 5.861 1.00 0.00 C ATOM 108 CE2 PHE A 10 6.746 7.677 5.918 1.00 0.00 C ATOM 109 CZ PHE A 10 7.073 8.978 6.243 1.00 0.00 C ATOM 0 H PHE A 10 2.829 10.139 2.330 1.00 0.00 H new ATOM 0 HA PHE A 10 4.628 7.784 2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.717 8.858 4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.132 7.156 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.439 10.555 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.339 6.392 4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.495 11.032 6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.394 6.866 6.217 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.977 9.186 6.795 1.00 0.00 H new ATOM 119 N PHE A 11 2.609 6.122 1.968 1.00 0.00 N ATOM 120 CA PHE A 11 1.611 5.256 1.351 1.00 0.00 C ATOM 121 C PHE A 11 1.337 4.034 2.223 1.00 0.00 C ATOM 122 O PHE A 11 2.197 3.597 2.989 1.00 0.00 O ATOM 123 CB PHE A 11 2.077 4.812 -0.037 1.00 0.00 C ATOM 124 CG PHE A 11 2.375 5.956 -0.963 1.00 0.00 C ATOM 125 CD1 PHE A 11 3.542 6.690 -0.828 1.00 0.00 C ATOM 126 CD2 PHE A 11 1.486 6.299 -1.970 1.00 0.00 C ATOM 127 CE1 PHE A 11 3.819 7.743 -1.679 1.00 0.00 C ATOM 128 CE2 PHE A 11 1.757 7.351 -2.824 1.00 0.00 C ATOM 129 CZ PHE A 11 2.925 8.074 -2.678 1.00 0.00 C ATOM 0 H PHE A 11 3.329 5.627 2.494 1.00 0.00 H new ATOM 0 HA PHE A 11 0.686 5.824 1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.971 4.197 0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.308 4.183 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.244 6.436 -0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.571 5.737 -2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.733 8.306 -1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.056 7.608 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.139 8.897 -3.344 1.00 0.00 H new ATOM 139 N THR A 12 0.132 3.485 2.101 1.00 0.00 N ATOM 140 CA THR A 12 -0.257 2.315 2.878 1.00 0.00 C ATOM 141 C THR A 12 -0.386 1.083 1.990 1.00 0.00 C ATOM 142 O THR A 12 -1.408 0.883 1.333 1.00 0.00 O ATOM 143 CB THR A 12 -1.592 2.547 3.612 1.00 0.00 C ATOM 144 OG1 THR A 12 -1.477 3.668 4.495 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.995 1.312 4.403 1.00 0.00 C ATOM 0 H THR A 12 -0.591 3.832 1.471 1.00 0.00 H new ATOM 0 HA THR A 12 0.530 2.148 3.614 1.00 0.00 H new ATOM 0 HB THR A 12 -2.361 2.750 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.330 3.810 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.940 1.499 4.913 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.110 0.467 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.224 1.084 5.139 1.00 0.00 H new ATOM 153 N CYS A 13 0.657 0.259 1.974 1.00 0.00 N ATOM 154 CA CYS A 13 0.661 -0.954 1.166 1.00 0.00 C ATOM 155 C CYS A 13 -0.602 -1.776 1.412 1.00 0.00 C ATOM 156 O CYS A 13 -0.789 -2.337 2.491 1.00 0.00 O ATOM 157 CB CYS A 13 1.899 -1.796 1.479 1.00 0.00 C ATOM 158 SG CYS A 13 2.018 -3.333 0.509 1.00 0.00 S ATOM 0 H CYS A 13 1.510 0.410 2.512 1.00 0.00 H new ATOM 0 HA CYS A 13 0.684 -0.661 0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.790 -1.195 1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.895 -2.048 2.540 1.00 0.00 H new ATOM 163 N ASN A 14 -1.464 -1.842 0.404 1.00 0.00 N ATOM 164 CA ASN A 14 -2.709 -2.595 0.510 1.00 0.00 C ATOM 165 C ASN A 14 -2.477 -4.073 0.215 1.00 0.00 C ATOM 166 O ASN A 14 -3.421 -4.821 -0.040 1.00 0.00 O ATOM 167 CB ASN A 14 -3.755 -2.029 -0.452 1.00 0.00 C ATOM 168 CG ASN A 14 -4.249 -0.659 -0.028 1.00 0.00 C ATOM 169 OD1 ASN A 14 -3.520 0.330 -0.112 1.00 0.00 O ATOM 170 ND2 ASN A 14 -5.494 -0.594 0.431 1.00 0.00 N ATOM 0 H ASN A 14 -1.324 -1.383 -0.496 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.076 -2.500 1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.327 -1.964 -1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.600 -2.715 -0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.881 0.301 0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.063 -1.439 0.483 1.00 0.00 H new ATOM 177 N ALA A 15 -1.215 -4.488 0.252 1.00 0.00 N ATOM 178 CA ALA A 15 -0.860 -5.877 -0.009 1.00 0.00 C ATOM 179 C ALA A 15 -0.482 -6.599 1.281 1.00 0.00 C ATOM 180 O ALA A 15 -0.788 -7.778 1.457 1.00 0.00 O ATOM 181 CB ALA A 15 0.283 -5.951 -1.011 1.00 0.00 C ATOM 0 H ALA A 15 -0.422 -3.882 0.460 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.732 -6.375 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.537 -6.995 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.022 -5.480 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.153 -5.431 -0.610 1.00 0.00 H new ATOM 187 N CYS A 16 0.186 -5.883 2.179 1.00 0.00 N ATOM 188 CA CYS A 16 0.608 -6.455 3.452 1.00 0.00 C ATOM 189 C CYS A 16 0.174 -5.569 4.617 1.00 0.00 C ATOM 190 O CYS A 16 -0.323 -6.057 5.630 1.00 0.00 O ATOM 191 CB CYS A 16 2.126 -6.639 3.475 1.00 0.00 C ATOM 192 SG CYS A 16 3.065 -5.078 3.421 1.00 0.00 S ATOM 0 H CYS A 16 0.447 -4.906 2.049 1.00 0.00 H new ATOM 0 HA CYS A 16 0.130 -7.428 3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.401 -7.185 4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.419 -7.257 2.626 1.00 0.00 H new ATOM 197 N GLY A 17 0.366 -4.262 4.463 1.00 0.00 N ATOM 198 CA GLY A 17 -0.010 -3.329 5.508 1.00 0.00 C ATOM 199 C GLY A 17 1.190 -2.777 6.252 1.00 0.00 C ATOM 200 O GLY A 17 1.375 -3.056 7.436 1.00 0.00 O ATOM 0 H GLY A 17 0.775 -3.833 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.572 -2.505 5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.674 -3.828 6.214 1.00 0.00 H new ATOM 204 N GLU A 18 2.007 -1.993 5.555 1.00 0.00 N ATOM 205 CA GLU A 18 3.197 -1.403 6.158 1.00 0.00 C ATOM 206 C GLU A 18 3.403 0.027 5.667 1.00 0.00 C ATOM 207 O GLU A 18 3.259 0.314 4.479 1.00 0.00 O ATOM 208 CB GLU A 18 4.431 -2.248 5.836 1.00 0.00 C ATOM 209 CG GLU A 18 4.540 -3.510 6.675 1.00 0.00 C ATOM 210 CD GLU A 18 5.884 -4.197 6.523 1.00 0.00 C ATOM 211 OE1 GLU A 18 6.858 -3.740 7.157 1.00 0.00 O ATOM 212 OE2 GLU A 18 5.961 -5.190 5.771 1.00 0.00 O ATOM 0 H GLU A 18 1.867 -1.752 4.574 1.00 0.00 H new ATOM 0 HA GLU A 18 3.053 -1.381 7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.407 -2.524 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.325 -1.643 5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.381 -3.260 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.748 -4.202 6.389 1.00 0.00 H new ATOM 219 N SER A 19 3.742 0.920 6.591 1.00 0.00 N ATOM 220 CA SER A 19 3.964 2.322 6.255 1.00 0.00 C ATOM 221 C SER A 19 5.314 2.508 5.568 1.00 0.00 C ATOM 222 O SER A 19 6.366 2.364 6.192 1.00 0.00 O ATOM 223 CB SER A 19 3.896 3.188 7.514 1.00 0.00 C ATOM 224 OG SER A 19 5.025 2.972 8.343 1.00 0.00 O ATOM 0 H SER A 19 3.869 0.698 7.578 1.00 0.00 H new ATOM 0 HA SER A 19 3.179 2.634 5.566 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.843 4.240 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.985 2.960 8.068 1.00 0.00 H new ATOM 0 HG SER A 19 5.714 2.492 7.838 1.00 0.00 H new ATOM 230 N VAL A 20 5.276 2.828 4.279 1.00 0.00 N ATOM 231 CA VAL A 20 6.495 3.035 3.506 1.00 0.00 C ATOM 232 C VAL A 20 6.551 4.448 2.936 1.00 0.00 C ATOM 233 O VAL A 20 5.522 5.040 2.611 1.00 0.00 O ATOM 234 CB VAL A 20 6.606 2.023 2.351 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.990 2.082 1.721 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.295 0.618 2.843 1.00 0.00 C ATOM 0 H VAL A 20 4.414 2.950 3.747 1.00 0.00 H new ATOM 0 HA VAL A 20 7.332 2.888 4.189 1.00 0.00 H new ATOM 0 HB VAL A 20 5.874 2.287 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.050 1.360 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.170 3.084 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.742 1.844 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.378 -0.085 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.002 0.342 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.282 0.589 3.243 1.00 0.00 H new ATOM 246 N LYS A 21 7.761 4.985 2.818 1.00 0.00 N ATOM 247 CA LYS A 21 7.954 6.329 2.286 1.00 0.00 C ATOM 248 C LYS A 21 7.822 6.336 0.766 1.00 0.00 C ATOM 249 O LYS A 21 7.650 5.288 0.142 1.00 0.00 O ATOM 250 CB LYS A 21 9.327 6.868 2.692 1.00 0.00 C ATOM 251 CG LYS A 21 9.573 6.839 4.190 1.00 0.00 C ATOM 252 CD LYS A 21 10.943 7.393 4.541 1.00 0.00 C ATOM 253 CE LYS A 21 11.340 7.038 5.966 1.00 0.00 C ATOM 254 NZ LYS A 21 10.780 8.001 6.954 1.00 0.00 N ATOM 0 H LYS A 21 8.623 4.509 3.084 1.00 0.00 H new ATOM 0 HA LYS A 21 7.180 6.973 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.100 6.282 2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.425 7.894 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.803 7.421 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.490 5.815 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.685 6.999 3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.940 8.477 4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.990 6.033 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.427 7.025 6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.073 7.725 7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.133 8.957 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.742 7.995 6.894 1.00 0.00 H new ATOM 268 N LYS A 22 7.905 7.523 0.175 1.00 0.00 N ATOM 269 CA LYS A 22 7.799 7.667 -1.272 1.00 0.00 C ATOM 270 C LYS A 22 8.994 7.029 -1.972 1.00 0.00 C ATOM 271 O LYS A 22 8.832 6.249 -2.911 1.00 0.00 O ATOM 272 CB LYS A 22 7.702 9.146 -1.652 1.00 0.00 C ATOM 273 CG LYS A 22 7.445 9.378 -3.131 1.00 0.00 C ATOM 274 CD LYS A 22 7.139 10.838 -3.421 1.00 0.00 C ATOM 275 CE LYS A 22 8.408 11.674 -3.473 1.00 0.00 C ATOM 276 NZ LYS A 22 8.134 13.074 -3.902 1.00 0.00 N ATOM 0 H LYS A 22 8.045 8.400 0.676 1.00 0.00 H new ATOM 0 HA LYS A 22 6.894 7.154 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.901 9.609 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.628 9.647 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.317 9.067 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.610 8.758 -3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.610 10.918 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.474 11.231 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.878 11.681 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.117 11.215 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.024 13.611 -3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.708 13.069 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.478 13.521 -3.230 1.00 0.00 H new ATOM 290 N ILE A 23 10.194 7.364 -1.509 1.00 0.00 N ATOM 291 CA ILE A 23 11.416 6.821 -2.089 1.00 0.00 C ATOM 292 C ILE A 23 11.656 5.389 -1.624 1.00 0.00 C ATOM 293 O ILE A 23 12.218 4.575 -2.356 1.00 0.00 O ATOM 294 CB ILE A 23 12.641 7.679 -1.725 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.883 7.648 -0.215 1.00 0.00 C ATOM 296 CG2 ILE A 23 12.448 9.110 -2.206 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.799 6.528 0.227 1.00 0.00 C ATOM 0 H ILE A 23 10.346 8.009 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 23 11.284 6.832 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 23 13.517 7.264 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 23 13.311 8.601 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.926 7.547 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.323 9.704 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.320 9.116 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.563 9.536 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 23 13.926 6.567 1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 23 13.363 5.569 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.770 6.640 -0.256 1.00 0.00 H new ATOM 309 N GLN A 24 11.224 5.088 -0.403 1.00 0.00 N ATOM 310 CA GLN A 24 11.392 3.753 0.159 1.00 0.00 C ATOM 311 C GLN A 24 10.649 2.715 -0.675 1.00 0.00 C ATOM 312 O GLN A 24 11.109 1.584 -0.831 1.00 0.00 O ATOM 313 CB GLN A 24 10.891 3.719 1.604 1.00 0.00 C ATOM 314 CG GLN A 24 11.918 4.201 2.615 1.00 0.00 C ATOM 315 CD GLN A 24 13.075 3.236 2.778 1.00 0.00 C ATOM 316 OE1 GLN A 24 12.916 2.025 2.621 1.00 0.00 O ATOM 317 NE2 GLN A 24 14.250 3.768 3.094 1.00 0.00 N ATOM 0 H GLN A 24 10.755 5.750 0.215 1.00 0.00 H new ATOM 0 HA GLN A 24 12.455 3.510 0.145 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.997 4.337 1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.598 2.699 1.854 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.301 5.172 2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.432 4.346 3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 24 14.337 4.777 3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.065 3.168 3.216 1.00 0.00 H new ATOM 326 N VAL A 25 9.496 3.106 -1.208 1.00 0.00 N ATOM 327 CA VAL A 25 8.689 2.209 -2.026 1.00 0.00 C ATOM 328 C VAL A 25 9.569 1.310 -2.888 1.00 0.00 C ATOM 329 O VAL A 25 9.298 0.119 -3.036 1.00 0.00 O ATOM 330 CB VAL A 25 7.727 2.994 -2.939 1.00 0.00 C ATOM 331 CG1 VAL A 25 6.987 2.049 -3.873 1.00 0.00 C ATOM 332 CG2 VAL A 25 6.749 3.809 -2.106 1.00 0.00 C ATOM 0 H VAL A 25 9.100 4.038 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 25 8.107 1.594 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 25 8.312 3.683 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.312 2.621 -4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.706 1.514 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.412 1.333 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.077 4.357 -2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.168 3.141 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.300 4.514 -1.484 1.00 0.00 H new ATOM 342 N GLU A 26 10.623 1.889 -3.453 1.00 0.00 N ATOM 343 CA GLU A 26 11.543 1.139 -4.300 1.00 0.00 C ATOM 344 C GLU A 26 12.002 -0.140 -3.606 1.00 0.00 C ATOM 345 O GLU A 26 11.771 -1.245 -4.098 1.00 0.00 O ATOM 346 CB GLU A 26 12.756 2.000 -4.661 1.00 0.00 C ATOM 347 CG GLU A 26 13.608 1.414 -5.774 1.00 0.00 C ATOM 348 CD GLU A 26 14.324 0.145 -5.355 1.00 0.00 C ATOM 349 OE1 GLU A 26 15.106 0.198 -4.383 1.00 0.00 O ATOM 350 OE2 GLU A 26 14.101 -0.902 -5.999 1.00 0.00 O ATOM 0 H GLU A 26 10.861 2.874 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 26 11.015 0.866 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.412 2.990 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.374 2.133 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.976 1.202 -6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.343 2.154 -6.091 1.00 0.00 H new ATOM 357 N LYS A 27 12.654 0.018 -2.459 1.00 0.00 N ATOM 358 CA LYS A 27 13.146 -1.123 -1.695 1.00 0.00 C ATOM 359 C LYS A 27 12.005 -2.068 -1.332 1.00 0.00 C ATOM 360 O LYS A 27 12.104 -3.280 -1.527 1.00 0.00 O ATOM 361 CB LYS A 27 13.851 -0.645 -0.423 1.00 0.00 C ATOM 362 CG LYS A 27 14.750 -1.695 0.205 1.00 0.00 C ATOM 363 CD LYS A 27 13.982 -2.583 1.169 1.00 0.00 C ATOM 364 CE LYS A 27 14.886 -3.135 2.260 1.00 0.00 C ATOM 365 NZ LYS A 27 15.822 -4.168 1.735 1.00 0.00 N ATOM 0 H LYS A 27 12.854 0.925 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 27 13.859 -1.665 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.446 0.238 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.100 -0.339 0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.197 -2.308 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.568 -1.206 0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.170 -2.014 1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.526 -3.408 0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.457 -2.320 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.276 -3.567 3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.421 -4.519 2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.278 -4.958 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.422 -3.749 0.996 1.00 0.00 H new ATOM 379 N HIS A 28 10.922 -1.505 -0.806 1.00 0.00 N ATOM 380 CA HIS A 28 9.761 -2.298 -0.418 1.00 0.00 C ATOM 381 C HIS A 28 9.335 -3.227 -1.551 1.00 0.00 C ATOM 382 O HIS A 28 9.451 -4.448 -1.443 1.00 0.00 O ATOM 383 CB HIS A 28 8.599 -1.384 -0.029 1.00 0.00 C ATOM 384 CG HIS A 28 7.460 -2.106 0.621 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.387 -2.330 1.980 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.342 -2.656 0.091 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.275 -2.987 2.257 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.623 -3.197 1.128 1.00 0.00 N ATOM 0 H HIS A 28 10.824 -0.504 -0.639 1.00 0.00 H new ATOM 0 HA HIS A 28 10.039 -2.906 0.443 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.965 -0.614 0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.234 -0.875 -0.921 1.00 0.00 H new ATOM 0 HD1 HIS A 28 8.083 -2.034 2.664 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.067 -2.667 -0.953 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.954 -3.299 3.240 1.00 0.00 H new ATOM 396 N VAL A 29 8.840 -2.641 -2.636 1.00 0.00 N ATOM 397 CA VAL A 29 8.396 -3.416 -3.789 1.00 0.00 C ATOM 398 C VAL A 29 9.295 -4.627 -4.016 1.00 0.00 C ATOM 399 O VAL A 29 8.816 -5.721 -4.313 1.00 0.00 O ATOM 400 CB VAL A 29 8.376 -2.558 -5.068 1.00 0.00 C ATOM 401 CG1 VAL A 29 7.952 -3.395 -6.265 1.00 0.00 C ATOM 402 CG2 VAL A 29 7.456 -1.360 -4.891 1.00 0.00 C ATOM 0 H VAL A 29 8.736 -1.632 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 29 7.383 -3.755 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 29 9.384 -2.188 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.944 -2.772 -7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.655 -4.217 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.953 -3.796 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.454 -0.765 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.444 -1.706 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.810 -0.749 -4.061 1.00 0.00 H new ATOM 412 N SER A 30 10.601 -4.423 -3.873 1.00 0.00 N ATOM 413 CA SER A 30 11.568 -5.497 -4.065 1.00 0.00 C ATOM 414 C SER A 30 11.242 -6.688 -3.170 1.00 0.00 C ATOM 415 O SER A 30 11.266 -7.836 -3.612 1.00 0.00 O ATOM 416 CB SER A 30 12.983 -4.996 -3.772 1.00 0.00 C ATOM 417 OG SER A 30 13.953 -5.790 -4.433 1.00 0.00 O ATOM 0 H SER A 30 11.013 -3.524 -3.625 1.00 0.00 H new ATOM 0 HA SER A 30 11.513 -5.821 -5.104 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.078 -3.959 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.164 -5.016 -2.697 1.00 0.00 H new ATOM 0 HG SER A 30 14.849 -5.448 -4.231 1.00 0.00 H new ATOM 423 N ASN A 31 10.937 -6.406 -1.907 1.00 0.00 N ATOM 424 CA ASN A 31 10.607 -7.453 -0.948 1.00 0.00 C ATOM 425 C ASN A 31 9.164 -7.915 -1.123 1.00 0.00 C ATOM 426 O ASN A 31 8.901 -9.097 -1.346 1.00 0.00 O ATOM 427 CB ASN A 31 10.824 -6.952 0.481 1.00 0.00 C ATOM 428 CG ASN A 31 12.287 -6.959 0.881 1.00 0.00 C ATOM 429 OD1 ASN A 31 13.051 -7.830 0.464 1.00 0.00 O ATOM 430 ND2 ASN A 31 12.684 -5.986 1.692 1.00 0.00 N ATOM 0 H ASN A 31 10.912 -5.461 -1.524 1.00 0.00 H new ATOM 0 HA ASN A 31 11.267 -8.301 -1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.430 -5.940 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.258 -7.577 1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.657 -5.939 1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.016 -5.285 2.013 1.00 0.00 H new ATOM 437 N CYS A 32 8.230 -6.975 -1.020 1.00 0.00 N ATOM 438 CA CYS A 32 6.813 -7.284 -1.166 1.00 0.00 C ATOM 439 C CYS A 32 6.490 -7.684 -2.603 1.00 0.00 C ATOM 440 O CYS A 32 6.921 -7.031 -3.552 1.00 0.00 O ATOM 441 CB CYS A 32 5.962 -6.080 -0.757 1.00 0.00 C ATOM 442 SG CYS A 32 4.324 -6.519 -0.091 1.00 0.00 S ATOM 0 H CYS A 32 8.430 -5.992 -0.836 1.00 0.00 H new ATOM 0 HA CYS A 32 6.580 -8.124 -0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.504 -5.503 -0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.828 -5.432 -1.623 1.00 0.00 H new ATOM 447 N ARG A 33 5.727 -8.763 -2.753 1.00 0.00 N ATOM 448 CA ARG A 33 5.346 -9.251 -4.073 1.00 0.00 C ATOM 449 C ARG A 33 3.925 -8.820 -4.422 1.00 0.00 C ATOM 450 O ARG A 33 3.654 -8.389 -5.543 1.00 0.00 O ATOM 451 CB ARG A 33 5.456 -10.776 -4.127 1.00 0.00 C ATOM 452 CG ARG A 33 6.843 -11.273 -4.500 1.00 0.00 C ATOM 453 CD ARG A 33 6.937 -12.788 -4.400 1.00 0.00 C ATOM 454 NE ARG A 33 6.187 -13.454 -5.462 1.00 0.00 N ATOM 455 CZ ARG A 33 5.778 -14.716 -5.392 1.00 0.00 C ATOM 456 NH1 ARG A 33 6.044 -15.444 -4.316 1.00 0.00 N ATOM 457 NH2 ARG A 33 5.100 -15.252 -6.399 1.00 0.00 N ATOM 0 H ARG A 33 5.361 -9.315 -1.977 1.00 0.00 H new ATOM 0 HA ARG A 33 6.028 -8.818 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.181 -11.186 -3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.735 -11.159 -4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.082 -10.959 -5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.583 -10.817 -3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.983 -13.090 -4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.558 -13.112 -3.431 1.00 0.00 H new ATOM 0 HE ARG A 33 5.965 -12.921 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.564 -15.035 -3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.729 -16.413 -4.265 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.892 -14.695 -7.228 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.786 -16.221 -6.344 1.00 0.00 H new ATOM 471 N ASN A 34 3.021 -8.941 -3.456 1.00 0.00 N ATOM 472 CA ASN A 34 1.627 -8.565 -3.662 1.00 0.00 C ATOM 473 C ASN A 34 1.486 -7.052 -3.803 1.00 0.00 C ATOM 474 O ASN A 34 0.407 -6.545 -4.110 1.00 0.00 O ATOM 475 CB ASN A 34 0.765 -9.062 -2.499 1.00 0.00 C ATOM 476 CG ASN A 34 -0.718 -8.889 -2.763 1.00 0.00 C ATOM 477 OD1 ASN A 34 -1.457 -8.480 -1.738 1.00 0.00 O flip ATOM 478 ND2 ASN A 34 -1.193 -9.120 -3.875 1.00 0.00 N flip ATOM 0 H ASN A 34 3.228 -9.296 -2.523 1.00 0.00 H new ATOM 0 HA ASN A 34 1.284 -9.032 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.978 -10.115 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.035 -8.520 -1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.587 -9.433 -4.634 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.193 -8.999 -4.038 1.00 0.00 H new ATOM 485 N CYS A 35 2.583 -6.338 -3.577 1.00 0.00 N ATOM 486 CA CYS A 35 2.583 -4.883 -3.679 1.00 0.00 C ATOM 487 C CYS A 35 2.365 -4.439 -5.122 1.00 0.00 C ATOM 488 O CYS A 35 3.267 -4.535 -5.953 1.00 0.00 O ATOM 489 CB CYS A 35 3.901 -4.314 -3.151 1.00 0.00 C ATOM 490 SG CYS A 35 3.982 -2.508 -3.162 1.00 0.00 S ATOM 0 H CYS A 35 3.484 -6.743 -3.322 1.00 0.00 H new ATOM 0 HA CYS A 35 1.762 -4.501 -3.073 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.055 -4.668 -2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.721 -4.707 -3.752 1.00 0.00 H new ATOM 0 HG CYS A 35 5.133 -2.122 -2.696 1.00 0.00 H new ATOM 496 N GLU A 36 1.161 -3.954 -5.411 1.00 0.00 N ATOM 497 CA GLU A 36 0.824 -3.498 -6.754 1.00 0.00 C ATOM 498 C GLU A 36 0.243 -2.088 -6.720 1.00 0.00 C ATOM 499 O GLU A 36 0.553 -1.256 -7.573 1.00 0.00 O ATOM 500 CB GLU A 36 -0.173 -4.457 -7.407 1.00 0.00 C ATOM 501 CG GLU A 36 0.452 -5.762 -7.871 1.00 0.00 C ATOM 502 CD GLU A 36 -0.521 -6.635 -8.638 1.00 0.00 C ATOM 503 OE1 GLU A 36 -0.777 -6.337 -9.824 1.00 0.00 O ATOM 504 OE2 GLU A 36 -1.027 -7.616 -8.054 1.00 0.00 O ATOM 0 H GLU A 36 0.404 -3.867 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 36 1.740 -3.480 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.970 -4.678 -6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.635 -3.961 -8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.313 -5.544 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.822 -6.311 -7.005 1.00 0.00 H new ATOM 511 N CYS A 37 -0.602 -1.827 -5.728 1.00 0.00 N ATOM 512 CA CYS A 37 -1.229 -0.518 -5.583 1.00 0.00 C ATOM 513 C CYS A 37 -0.798 0.150 -4.281 1.00 0.00 C ATOM 514 O CYS A 37 -0.565 -0.520 -3.274 1.00 0.00 O ATOM 515 CB CYS A 37 -2.752 -0.652 -5.620 1.00 0.00 C ATOM 516 SG CYS A 37 -3.420 -1.823 -4.415 1.00 0.00 S ATOM 0 H CYS A 37 -0.868 -2.504 -5.013 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.906 0.106 -6.416 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.196 0.327 -5.444 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.054 -0.964 -6.620 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.500 -2.367 -4.891 1.00 0.00 H new ATOM 522 N LEU A 38 -0.691 1.474 -4.309 1.00 0.00 N ATOM 523 CA LEU A 38 -0.285 2.233 -3.132 1.00 0.00 C ATOM 524 C LEU A 38 -1.264 3.369 -2.852 1.00 0.00 C ATOM 525 O LEU A 38 -1.413 4.286 -3.660 1.00 0.00 O ATOM 526 CB LEU A 38 1.125 2.796 -3.324 1.00 0.00 C ATOM 527 CG LEU A 38 2.277 1.845 -2.999 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.532 2.248 -3.757 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.541 1.820 -1.500 1.00 0.00 C ATOM 0 H LEU A 38 -0.880 2.044 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.286 1.557 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.228 3.119 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.228 3.685 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 38 1.994 0.841 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.341 1.560 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.337 2.213 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.819 3.261 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.364 1.138 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.803 2.822 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.645 1.482 -0.978 1.00 0.00 H new ATOM 541 N SER A 39 -1.928 3.302 -1.702 1.00 0.00 N ATOM 542 CA SER A 39 -2.894 4.324 -1.317 1.00 0.00 C ATOM 543 C SER A 39 -2.263 5.337 -0.367 1.00 0.00 C ATOM 544 O SER A 39 -2.060 5.055 0.815 1.00 0.00 O ATOM 545 CB SER A 39 -4.114 3.679 -0.656 1.00 0.00 C ATOM 546 OG SER A 39 -5.273 4.473 -0.840 1.00 0.00 O ATOM 0 H SER A 39 -1.815 2.551 -1.021 1.00 0.00 H new ATOM 0 HA SER A 39 -3.212 4.847 -2.219 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.278 2.687 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.926 3.545 0.409 1.00 0.00 H new ATOM 0 HG SER A 39 -6.039 4.038 -0.410 1.00 0.00 H new ATOM 552 N CYS A 40 -1.955 6.518 -0.891 1.00 0.00 N ATOM 553 CA CYS A 40 -1.346 7.575 -0.092 1.00 0.00 C ATOM 554 C CYS A 40 -2.128 7.800 1.198 1.00 0.00 C ATOM 555 O CYS A 40 -3.332 7.548 1.258 1.00 0.00 O ATOM 556 CB CYS A 40 -1.280 8.876 -0.895 1.00 0.00 C ATOM 557 SG CYS A 40 -0.627 10.295 0.042 1.00 0.00 S ATOM 0 H CYS A 40 -2.117 6.768 -1.867 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.334 7.264 0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.656 8.717 -1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.280 9.120 -1.254 1.00 0.00 H new ATOM 562 N ILE A 41 -1.436 8.276 2.228 1.00 0.00 N ATOM 563 CA ILE A 41 -2.066 8.536 3.516 1.00 0.00 C ATOM 564 C ILE A 41 -2.213 10.033 3.764 1.00 0.00 C ATOM 565 O ILE A 41 -3.096 10.467 4.504 1.00 0.00 O ATOM 566 CB ILE A 41 -1.262 7.912 4.672 1.00 0.00 C ATOM 567 CG1 ILE A 41 0.162 8.471 4.692 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.240 6.396 4.544 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.921 8.147 5.959 1.00 0.00 C ATOM 0 H ILE A 41 -0.439 8.489 2.195 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.054 8.077 3.482 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.747 8.171 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.711 8.075 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.120 9.553 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.668 5.970 5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.260 6.013 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.776 6.117 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.922 8.575 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.394 8.567 6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.994 7.065 6.073 1.00 0.00 H new ATOM 581 N ASP A 42 -1.342 10.819 3.139 1.00 0.00 N ATOM 582 CA ASP A 42 -1.376 12.269 3.289 1.00 0.00 C ATOM 583 C ASP A 42 -2.711 12.833 2.814 1.00 0.00 C ATOM 584 O ASP A 42 -3.376 13.577 3.537 1.00 0.00 O ATOM 585 CB ASP A 42 -0.230 12.911 2.507 1.00 0.00 C ATOM 586 CG ASP A 42 0.123 14.292 3.024 1.00 0.00 C ATOM 587 OD1 ASP A 42 -0.126 14.559 4.219 1.00 0.00 O ATOM 588 OD2 ASP A 42 0.648 15.104 2.235 1.00 0.00 O ATOM 0 H ASP A 42 -0.604 10.476 2.524 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.259 12.503 4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.649 12.269 2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.506 12.980 1.455 1.00 0.00 H new ATOM 593 N CYS A 43 -3.099 12.476 1.594 1.00 0.00 N ATOM 594 CA CYS A 43 -4.353 12.947 1.021 1.00 0.00 C ATOM 595 C CYS A 43 -5.382 11.821 0.964 1.00 0.00 C ATOM 596 O CYS A 43 -6.546 12.011 1.316 1.00 0.00 O ATOM 597 CB CYS A 43 -4.118 13.509 -0.382 1.00 0.00 C ATOM 598 SG CYS A 43 -3.414 12.307 -1.556 1.00 0.00 S ATOM 0 H CYS A 43 -2.562 11.861 0.983 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.741 13.739 1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.065 13.876 -0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.449 14.366 -0.311 1.00 0.00 H new ATOM 603 N GLY A 44 -4.943 10.648 0.518 1.00 0.00 N ATOM 604 CA GLY A 44 -5.838 9.509 0.423 1.00 0.00 C ATOM 605 C GLY A 44 -6.257 9.219 -1.004 1.00 0.00 C ATOM 606 O GLY A 44 -7.445 9.241 -1.327 1.00 0.00 O ATOM 0 H GLY A 44 -3.984 10.466 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.348 8.630 0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.725 9.696 1.028 1.00 0.00 H new ATOM 610 N LYS A 45 -5.280 8.947 -1.863 1.00 0.00 N ATOM 611 CA LYS A 45 -5.553 8.651 -3.264 1.00 0.00 C ATOM 612 C LYS A 45 -4.958 7.304 -3.662 1.00 0.00 C ATOM 613 O LYS A 45 -3.801 7.012 -3.357 1.00 0.00 O ATOM 614 CB LYS A 45 -4.986 9.756 -4.159 1.00 0.00 C ATOM 615 CG LYS A 45 -5.295 9.562 -5.634 1.00 0.00 C ATOM 616 CD LYS A 45 -5.316 10.887 -6.378 1.00 0.00 C ATOM 617 CE LYS A 45 -6.659 11.586 -6.233 1.00 0.00 C ATOM 618 NZ LYS A 45 -6.575 13.029 -6.589 1.00 0.00 N ATOM 0 H LYS A 45 -4.291 8.926 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.634 8.603 -3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.388 10.716 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.905 9.801 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.548 8.905 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.260 9.067 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.525 11.533 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.106 10.716 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.394 11.097 -6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.012 11.485 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.511 13.469 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.893 13.502 -5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.263 13.125 -7.576 1.00 0.00 H new ATOM 632 N ASP A 46 -5.754 6.489 -4.344 1.00 0.00 N ATOM 633 CA ASP A 46 -5.305 5.174 -4.786 1.00 0.00 C ATOM 634 C ASP A 46 -4.461 5.285 -6.052 1.00 0.00 C ATOM 635 O ASP A 46 -4.788 6.046 -6.964 1.00 0.00 O ATOM 636 CB ASP A 46 -6.505 4.259 -5.036 1.00 0.00 C ATOM 637 CG ASP A 46 -7.242 4.608 -6.314 1.00 0.00 C ATOM 638 OD1 ASP A 46 -6.709 4.318 -7.405 1.00 0.00 O ATOM 639 OD2 ASP A 46 -8.353 5.172 -6.223 1.00 0.00 O ATOM 0 H ASP A 46 -6.714 6.716 -4.603 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.688 4.744 -3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.165 3.225 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.193 4.328 -4.193 1.00 0.00 H new ATOM 644 N PHE A 47 -3.374 4.522 -6.102 1.00 0.00 N ATOM 645 CA PHE A 47 -2.482 4.536 -7.255 1.00 0.00 C ATOM 646 C PHE A 47 -2.144 3.116 -7.698 1.00 0.00 C ATOM 647 O PHE A 47 -1.177 2.520 -7.223 1.00 0.00 O ATOM 648 CB PHE A 47 -1.198 5.299 -6.924 1.00 0.00 C ATOM 649 CG PHE A 47 -1.418 6.764 -6.677 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.552 7.647 -7.736 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.490 7.258 -5.384 1.00 0.00 C ATOM 652 CE1 PHE A 47 -1.755 8.995 -7.512 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.693 8.606 -5.154 1.00 0.00 C ATOM 654 CZ PHE A 47 -1.824 9.476 -6.219 1.00 0.00 C ATOM 0 H PHE A 47 -3.090 3.886 -5.357 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.995 5.041 -8.074 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.738 4.855 -6.041 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.492 5.179 -7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.497 7.277 -8.749 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.386 6.583 -4.547 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.860 9.672 -8.347 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.749 8.979 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.980 10.530 -6.041 1.00 0.00 H new ATOM 664 N TRP A 48 -2.946 2.580 -8.611 1.00 0.00 N ATOM 665 CA TRP A 48 -2.733 1.229 -9.118 1.00 0.00 C ATOM 666 C TRP A 48 -1.629 1.211 -10.169 1.00 0.00 C ATOM 667 O TRP A 48 -1.480 2.155 -10.944 1.00 0.00 O ATOM 668 CB TRP A 48 -4.029 0.675 -9.712 1.00 0.00 C ATOM 669 CG TRP A 48 -5.085 0.403 -8.684 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.970 1.302 -8.160 1.00 0.00 C ATOM 671 CD2 TRP A 48 -5.365 -0.852 -8.053 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.783 0.682 -7.243 1.00 0.00 N ATOM 673 CE2 TRP A 48 -6.432 -0.640 -7.159 1.00 0.00 C ATOM 674 CE3 TRP A 48 -4.819 -2.134 -8.158 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -6.961 -1.662 -6.376 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -5.345 -3.147 -7.380 1.00 0.00 C ATOM 677 CH2 TRP A 48 -6.408 -2.908 -6.499 1.00 0.00 C ATOM 0 H TRP A 48 -3.750 3.060 -9.015 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.426 0.598 -8.284 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.418 1.384 -10.443 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.809 -0.248 -10.249 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.023 2.347 -8.428 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.527 1.133 -6.711 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.001 -2.329 -8.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.779 -1.478 -5.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.929 -4.141 -7.452 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.798 -3.722 -5.906 1.00 0.00 H new ATOM 688 N GLY A 49 -0.855 0.129 -10.190 1.00 0.00 N ATOM 689 CA GLY A 49 0.226 0.009 -11.151 1.00 0.00 C ATOM 690 C GLY A 49 1.360 0.976 -10.872 1.00 0.00 C ATOM 691 O GLY A 49 1.613 1.330 -9.720 1.00 0.00 O ATOM 0 H GLY A 49 -0.958 -0.666 -9.559 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.610 -1.011 -11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.162 0.188 -12.154 1.00 0.00 H new ATOM 695 N ASP A 50 2.045 1.402 -11.927 1.00 0.00 N ATOM 696 CA ASP A 50 3.158 2.333 -11.791 1.00 0.00 C ATOM 697 C ASP A 50 2.659 3.774 -11.743 1.00 0.00 C ATOM 698 O ASP A 50 3.259 4.670 -12.339 1.00 0.00 O ATOM 699 CB ASP A 50 4.141 2.159 -12.950 1.00 0.00 C ATOM 700 CG ASP A 50 4.985 0.907 -12.810 1.00 0.00 C ATOM 701 OD1 ASP A 50 5.675 0.769 -11.779 1.00 0.00 O ATOM 702 OD2 ASP A 50 4.955 0.066 -13.733 1.00 0.00 O ATOM 0 H ASP A 50 1.849 1.117 -12.887 1.00 0.00 H new ATOM 0 HA ASP A 50 3.670 2.114 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.588 2.118 -13.888 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.794 3.030 -13.003 1.00 0.00 H new ATOM 707 N ASP A 51 1.558 3.990 -11.031 1.00 0.00 N ATOM 708 CA ASP A 51 0.978 5.322 -10.906 1.00 0.00 C ATOM 709 C ASP A 51 1.502 6.027 -9.658 1.00 0.00 C ATOM 710 O ASP A 51 1.607 7.254 -9.624 1.00 0.00 O ATOM 711 CB ASP A 51 -0.548 5.234 -10.854 1.00 0.00 C ATOM 712 CG ASP A 51 -1.178 5.290 -12.232 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.481 4.967 -13.217 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.368 5.656 -12.325 1.00 0.00 O ATOM 0 H ASP A 51 1.050 3.260 -10.532 1.00 0.00 H new ATOM 0 HA ASP A 51 1.271 5.903 -11.780 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.839 4.306 -10.362 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.936 6.052 -10.247 1.00 0.00 H new ATOM 719 N TYR A 52 1.829 5.245 -8.636 1.00 0.00 N ATOM 720 CA TYR A 52 2.339 5.794 -7.385 1.00 0.00 C ATOM 721 C TYR A 52 3.555 6.680 -7.635 1.00 0.00 C ATOM 722 O TYR A 52 3.651 7.788 -7.107 1.00 0.00 O ATOM 723 CB TYR A 52 2.705 4.666 -6.420 1.00 0.00 C ATOM 724 CG TYR A 52 3.850 3.804 -6.902 1.00 0.00 C ATOM 725 CD1 TYR A 52 3.641 2.797 -7.836 1.00 0.00 C ATOM 726 CD2 TYR A 52 5.140 3.996 -6.423 1.00 0.00 C ATOM 727 CE1 TYR A 52 4.683 2.006 -8.280 1.00 0.00 C ATOM 728 CE2 TYR A 52 6.189 3.211 -6.862 1.00 0.00 C ATOM 729 CZ TYR A 52 5.955 2.218 -7.790 1.00 0.00 C ATOM 730 OH TYR A 52 6.997 1.433 -8.228 1.00 0.00 O ATOM 0 H TYR A 52 1.750 4.228 -8.649 1.00 0.00 H new ATOM 0 HA TYR A 52 1.554 6.404 -6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.967 5.097 -5.454 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.829 4.037 -6.261 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.646 2.630 -8.222 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.326 4.772 -5.695 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.503 1.227 -9.006 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.186 3.374 -6.481 1.00 0.00 H new ATOM 0 HH TYR A 52 7.826 1.713 -7.786 1.00 0.00 H new ATOM 740 N LYS A 53 4.484 6.183 -8.445 1.00 0.00 N ATOM 741 CA LYS A 53 5.695 6.928 -8.769 1.00 0.00 C ATOM 742 C LYS A 53 5.354 8.283 -9.380 1.00 0.00 C ATOM 743 O LYS A 53 6.145 9.223 -9.310 1.00 0.00 O ATOM 744 CB LYS A 53 6.569 6.126 -9.736 1.00 0.00 C ATOM 745 CG LYS A 53 5.855 5.736 -11.019 1.00 0.00 C ATOM 746 CD LYS A 53 6.836 5.271 -12.083 1.00 0.00 C ATOM 747 CE LYS A 53 7.269 3.832 -11.851 1.00 0.00 C ATOM 748 NZ LYS A 53 7.932 3.252 -13.051 1.00 0.00 N ATOM 0 H LYS A 53 4.421 5.267 -8.889 1.00 0.00 H new ATOM 0 HA LYS A 53 6.246 7.095 -7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.453 6.713 -9.986 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.917 5.223 -9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.139 4.941 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.287 6.587 -11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.376 5.359 -13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.711 5.920 -12.081 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.953 3.791 -11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.400 3.229 -11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.212 2.270 -12.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.272 3.268 -13.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.776 3.812 -13.286 1.00 0.00 H new ATOM 762 N SER A 54 4.171 8.376 -9.978 1.00 0.00 N ATOM 763 CA SER A 54 3.726 9.616 -10.604 1.00 0.00 C ATOM 764 C SER A 54 3.204 10.596 -9.557 1.00 0.00 C ATOM 765 O SER A 54 3.144 11.803 -9.795 1.00 0.00 O ATOM 766 CB SER A 54 2.635 9.328 -11.637 1.00 0.00 C ATOM 767 OG SER A 54 2.495 10.407 -12.545 1.00 0.00 O ATOM 0 H SER A 54 3.503 7.608 -10.042 1.00 0.00 H new ATOM 0 HA SER A 54 4.582 10.068 -11.106 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.879 8.417 -12.184 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.687 9.150 -11.129 1.00 0.00 H new ATOM 0 HG SER A 54 1.793 10.198 -13.196 1.00 0.00 H new ATOM 773 N HIS A 55 2.828 10.068 -8.396 1.00 0.00 N ATOM 774 CA HIS A 55 2.312 10.895 -7.312 1.00 0.00 C ATOM 775 C HIS A 55 3.450 11.593 -6.572 1.00 0.00 C ATOM 776 O HIS A 55 4.115 10.993 -5.728 1.00 0.00 O ATOM 777 CB HIS A 55 1.500 10.044 -6.335 1.00 0.00 C ATOM 778 CG HIS A 55 0.735 10.850 -5.331 1.00 0.00 C ATOM 779 ND1 HIS A 55 0.046 11.999 -5.655 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.553 10.666 -4.002 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.526 12.488 -4.570 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.235 11.697 -3.553 1.00 0.00 N ATOM 0 H HIS A 55 2.871 9.072 -8.182 1.00 0.00 H new ATOM 0 HA HIS A 55 1.663 11.656 -7.746 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.803 9.424 -6.899 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.174 9.368 -5.809 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.013 12.408 -6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.953 9.859 -3.406 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.129 13.383 -4.522 1.00 0.00 H new ATOM 790 N VAL A 56 3.668 12.864 -6.896 1.00 0.00 N ATOM 791 CA VAL A 56 4.724 13.644 -6.262 1.00 0.00 C ATOM 792 C VAL A 56 4.155 14.584 -5.206 1.00 0.00 C ATOM 793 O VAL A 56 4.671 14.670 -4.092 1.00 0.00 O ATOM 794 CB VAL A 56 5.511 14.468 -7.298 1.00 0.00 C ATOM 795 CG1 VAL A 56 6.412 15.479 -6.604 1.00 0.00 C ATOM 796 CG2 VAL A 56 6.322 13.552 -8.202 1.00 0.00 C ATOM 0 H VAL A 56 3.127 13.375 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 56 5.399 12.934 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 56 4.800 15.015 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.960 16.052 -7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.804 16.155 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.118 14.955 -5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.872 14.151 -8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.025 12.976 -7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.651 12.872 -8.727 1.00 0.00 H new ATOM 806 N LYS A 57 3.087 15.289 -5.564 1.00 0.00 N ATOM 807 CA LYS A 57 2.445 16.224 -4.648 1.00 0.00 C ATOM 808 C LYS A 57 1.023 15.776 -4.321 1.00 0.00 C ATOM 809 O LYS A 57 0.418 15.005 -5.067 1.00 0.00 O ATOM 810 CB LYS A 57 2.421 17.629 -5.253 1.00 0.00 C ATOM 811 CG LYS A 57 1.577 17.735 -6.511 1.00 0.00 C ATOM 812 CD LYS A 57 2.397 17.453 -7.759 1.00 0.00 C ATOM 813 CE LYS A 57 1.776 18.094 -8.991 1.00 0.00 C ATOM 814 NZ LYS A 57 1.982 19.569 -9.013 1.00 0.00 N ATOM 0 H LYS A 57 2.648 15.230 -6.483 1.00 0.00 H new ATOM 0 HA LYS A 57 3.023 16.243 -3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.040 18.329 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.442 17.934 -5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.747 17.031 -6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.144 18.733 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.410 17.831 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.476 16.376 -7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.211 17.653 -9.888 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.708 17.876 -9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.730 19.941 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.381 20.014 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.980 19.783 -8.813 1.00 0.00 H new ATOM 828 N CYS A 58 0.496 16.264 -3.204 1.00 0.00 N ATOM 829 CA CYS A 58 -0.854 15.915 -2.779 1.00 0.00 C ATOM 830 C CYS A 58 -1.832 17.043 -3.094 1.00 0.00 C ATOM 831 O CYS A 58 -2.541 17.529 -2.212 1.00 0.00 O ATOM 832 CB CYS A 58 -0.877 15.610 -1.280 1.00 0.00 C ATOM 833 SG CYS A 58 0.043 14.108 -0.813 1.00 0.00 S ATOM 0 H CYS A 58 0.984 16.903 -2.576 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.162 15.026 -3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.461 16.461 -0.740 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.913 15.504 -0.957 1.00 0.00 H new ATOM 838 N ILE A 59 -1.865 17.455 -4.357 1.00 0.00 N ATOM 839 CA ILE A 59 -2.757 18.524 -4.789 1.00 0.00 C ATOM 840 C ILE A 59 -4.186 18.017 -4.950 1.00 0.00 C ATOM 841 O ILE A 59 -4.412 16.921 -5.463 1.00 0.00 O ATOM 842 CB ILE A 59 -2.290 19.143 -6.119 1.00 0.00 C ATOM 843 CG1 ILE A 59 -3.263 20.236 -6.567 1.00 0.00 C ATOM 844 CG2 ILE A 59 -2.164 18.068 -7.188 1.00 0.00 C ATOM 845 CD1 ILE A 59 -2.945 21.600 -5.995 1.00 0.00 C ATOM 0 H ILE A 59 -1.284 17.065 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.732 19.289 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.310 19.595 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.253 20.296 -7.655 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.274 19.954 -6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.833 18.521 -8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.437 17.321 -6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.132 17.590 -7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.675 22.325 -6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.983 21.556 -4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.947 21.903 -6.311 1.00 0.00 H new ATOM 857 N SER A 60 -5.147 18.823 -4.510 1.00 0.00 N ATOM 858 CA SER A 60 -6.555 18.455 -4.604 1.00 0.00 C ATOM 859 C SER A 60 -7.098 18.735 -6.002 1.00 0.00 C ATOM 860 O SER A 60 -6.528 19.526 -6.753 1.00 0.00 O ATOM 861 CB SER A 60 -7.374 19.221 -3.564 1.00 0.00 C ATOM 862 OG SER A 60 -7.447 20.599 -3.887 1.00 0.00 O ATOM 0 H SER A 60 -4.977 19.735 -4.085 1.00 0.00 H new ATOM 0 HA SER A 60 -6.640 17.386 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.379 18.803 -3.509 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.923 19.098 -2.579 1.00 0.00 H new ATOM 0 HG SER A 60 -7.977 21.066 -3.208 1.00 0.00 H new ATOM 868 N GLU A 61 -8.202 18.079 -6.344 1.00 0.00 N ATOM 869 CA GLU A 61 -8.822 18.256 -7.652 1.00 0.00 C ATOM 870 C GLU A 61 -10.034 19.178 -7.560 1.00 0.00 C ATOM 871 O GLU A 61 -10.768 19.159 -6.573 1.00 0.00 O ATOM 872 CB GLU A 61 -9.240 16.903 -8.231 1.00 0.00 C ATOM 873 CG GLU A 61 -9.204 16.853 -9.749 1.00 0.00 C ATOM 874 CD GLU A 61 -9.359 15.445 -10.290 1.00 0.00 C ATOM 875 OE1 GLU A 61 -8.347 14.714 -10.339 1.00 0.00 O ATOM 876 OE2 GLU A 61 -10.490 15.074 -10.665 1.00 0.00 O ATOM 0 H GLU A 61 -8.686 17.420 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.087 18.715 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.583 16.129 -7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.249 16.668 -7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.000 17.481 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.261 17.271 -10.100 1.00 0.00 H new ATOM 883 N GLY A 62 -10.236 19.986 -8.596 1.00 0.00 N ATOM 884 CA GLY A 62 -11.359 20.905 -8.612 1.00 0.00 C ATOM 885 C GLY A 62 -11.633 21.462 -9.995 1.00 0.00 C ATOM 886 O GLY A 62 -12.787 21.607 -10.396 1.00 0.00 O ATOM 0 H GLY A 62 -9.642 20.021 -9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.249 20.392 -8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.161 21.728 -7.925 1.00 0.00 H new ATOM 890 N GLN A 63 -10.568 21.777 -10.726 1.00 0.00 N ATOM 891 CA GLN A 63 -10.700 22.324 -12.071 1.00 0.00 C ATOM 892 C GLN A 63 -10.838 21.208 -13.101 1.00 0.00 C ATOM 893 O GLN A 63 -10.117 21.177 -14.099 1.00 0.00 O ATOM 894 CB GLN A 63 -9.492 23.200 -12.409 1.00 0.00 C ATOM 895 CG GLN A 63 -8.186 22.427 -12.500 1.00 0.00 C ATOM 896 CD GLN A 63 -6.970 23.310 -12.303 1.00 0.00 C ATOM 897 OE1 GLN A 63 -6.299 23.242 -11.272 1.00 0.00 O ATOM 898 NE2 GLN A 63 -6.678 24.146 -13.293 1.00 0.00 N ATOM 0 H GLN A 63 -9.605 21.663 -10.409 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.602 22.935 -12.101 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.673 23.704 -13.359 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.393 23.976 -11.650 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.182 21.638 -11.748 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.123 21.941 -13.473 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.261 24.169 -14.130 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.871 24.765 -13.217 1.00 0.00 H new ATOM 907 N LYS A 64 -11.768 20.293 -12.853 1.00 0.00 N ATOM 908 CA LYS A 64 -12.002 19.174 -13.759 1.00 0.00 C ATOM 909 C LYS A 64 -13.495 18.899 -13.909 1.00 0.00 C ATOM 910 O LYS A 64 -14.210 18.741 -12.919 1.00 0.00 O ATOM 911 CB LYS A 64 -11.290 17.920 -13.248 1.00 0.00 C ATOM 912 CG LYS A 64 -10.967 16.916 -14.341 1.00 0.00 C ATOM 913 CD LYS A 64 -10.503 15.590 -13.762 1.00 0.00 C ATOM 914 CE LYS A 64 -11.670 14.786 -13.208 1.00 0.00 C ATOM 915 NZ LYS A 64 -12.414 14.075 -14.284 1.00 0.00 N ATOM 0 H LYS A 64 -12.373 20.304 -12.032 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.599 19.440 -14.736 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.365 18.214 -12.752 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.915 17.438 -12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.849 16.755 -14.960 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.191 17.321 -14.991 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.995 15.012 -14.534 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.776 15.772 -12.970 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.300 14.061 -12.483 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.349 15.452 -12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.201 13.539 -13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.789 14.768 -14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.772 13.421 -14.776 1.00 0.00 H new ATOM 929 N TYR A 65 -13.959 18.843 -15.153 1.00 0.00 N ATOM 930 CA TYR A 65 -15.367 18.587 -15.432 1.00 0.00 C ATOM 931 C TYR A 65 -15.797 17.235 -14.871 1.00 0.00 C ATOM 932 O TYR A 65 -15.636 16.202 -15.519 1.00 0.00 O ATOM 933 CB TYR A 65 -15.627 18.633 -16.939 1.00 0.00 C ATOM 934 CG TYR A 65 -15.846 20.030 -17.473 1.00 0.00 C ATOM 935 CD1 TYR A 65 -14.848 20.993 -17.389 1.00 0.00 C ATOM 936 CD2 TYR A 65 -17.052 20.388 -18.064 1.00 0.00 C ATOM 937 CE1 TYR A 65 -15.045 22.271 -17.875 1.00 0.00 C ATOM 938 CE2 TYR A 65 -17.257 21.663 -18.554 1.00 0.00 C ATOM 939 CZ TYR A 65 -16.251 22.601 -18.457 1.00 0.00 C ATOM 940 OH TYR A 65 -16.450 23.872 -18.944 1.00 0.00 O ATOM 0 H TYR A 65 -13.381 18.971 -15.983 1.00 0.00 H new ATOM 0 HA TYR A 65 -15.955 19.365 -14.945 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.781 18.183 -17.459 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -16.502 18.025 -17.167 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.901 20.738 -16.936 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.843 19.656 -18.141 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.259 23.008 -17.800 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.200 21.924 -19.011 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.351 23.940 -19.323 1.00 0.00 H new ATOM 950 N GLY A 66 -16.347 17.251 -13.661 1.00 0.00 N ATOM 951 CA GLY A 66 -16.793 16.022 -13.032 1.00 0.00 C ATOM 952 C GLY A 66 -17.503 16.268 -11.716 1.00 0.00 C ATOM 953 O GLY A 66 -16.873 16.609 -10.716 1.00 0.00 O ATOM 0 H GLY A 66 -16.492 18.094 -13.105 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.464 15.493 -13.710 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.934 15.372 -12.862 1.00 0.00 H new ATOM 957 N GLY A 67 -18.822 16.097 -11.715 1.00 0.00 N ATOM 958 CA GLY A 67 -19.597 16.309 -10.507 1.00 0.00 C ATOM 959 C GLY A 67 -20.013 15.008 -9.849 1.00 0.00 C ATOM 960 O GLY A 67 -21.202 14.708 -9.747 1.00 0.00 O ATOM 0 H GLY A 67 -19.367 15.815 -12.530 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.011 16.898 -9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.486 16.892 -10.747 1.00 0.00 H new ATOM 964 N LYS A 68 -19.031 14.233 -9.403 1.00 0.00 N ATOM 965 CA LYS A 68 -19.299 12.956 -8.751 1.00 0.00 C ATOM 966 C LYS A 68 -20.259 13.135 -7.579 1.00 0.00 C ATOM 967 O LYS A 68 -21.315 12.505 -7.527 1.00 0.00 O ATOM 968 CB LYS A 68 -17.994 12.324 -8.264 1.00 0.00 C ATOM 969 CG LYS A 68 -18.077 10.819 -8.082 1.00 0.00 C ATOM 970 CD LYS A 68 -16.749 10.237 -7.626 1.00 0.00 C ATOM 971 CE LYS A 68 -16.899 8.792 -7.176 1.00 0.00 C ATOM 972 NZ LYS A 68 -17.462 8.695 -5.800 1.00 0.00 N ATOM 0 H LYS A 68 -18.041 14.467 -9.481 1.00 0.00 H new ATOM 0 HA LYS A 68 -19.764 12.294 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.202 12.552 -8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.711 12.781 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.849 10.582 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.375 10.354 -9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.027 10.292 -8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.351 10.835 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.548 8.260 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.927 8.299 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.549 7.694 -5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.830 9.180 -5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.401 9.142 -5.777 1.00 0.00 H new ATOM 986 N GLY A 69 -19.885 13.999 -6.640 1.00 0.00 N ATOM 987 CA GLY A 69 -20.724 14.245 -5.482 1.00 0.00 C ATOM 988 C GLY A 69 -20.983 15.722 -5.257 1.00 0.00 C ATOM 989 O GLY A 69 -20.173 16.413 -4.639 1.00 0.00 O ATOM 0 H GLY A 69 -19.016 14.533 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -21.675 13.728 -5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -20.248 13.824 -4.596 1.00 0.00 H new ATOM 993 N TYR A 70 -22.112 16.207 -5.761 1.00 0.00 N ATOM 994 CA TYR A 70 -22.472 17.612 -5.616 1.00 0.00 C ATOM 995 C TYR A 70 -21.994 18.161 -4.275 1.00 0.00 C ATOM 996 O TYR A 70 -21.387 19.229 -4.211 1.00 0.00 O ATOM 997 CB TYR A 70 -23.987 17.787 -5.740 1.00 0.00 C ATOM 998 CG TYR A 70 -24.758 17.243 -4.560 1.00 0.00 C ATOM 999 CD1 TYR A 70 -25.015 15.883 -4.440 1.00 0.00 C ATOM 1000 CD2 TYR A 70 -25.230 18.089 -3.563 1.00 0.00 C ATOM 1001 CE1 TYR A 70 -25.721 15.382 -3.363 1.00 0.00 C ATOM 1002 CE2 TYR A 70 -25.935 17.597 -2.482 1.00 0.00 C ATOM 1003 CZ TYR A 70 -26.178 16.243 -2.387 1.00 0.00 C ATOM 1004 OH TYR A 70 -26.880 15.747 -1.312 1.00 0.00 O ATOM 0 H TYR A 70 -22.794 15.648 -6.274 1.00 0.00 H new ATOM 0 HA TYR A 70 -21.981 18.171 -6.413 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -24.214 18.847 -5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -24.329 17.289 -6.647 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -24.657 15.206 -5.201 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -25.042 19.150 -3.635 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -25.914 14.322 -3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -26.294 18.269 -1.716 1.00 0.00 H new ATOM 0 HH TYR A 70 -27.129 16.484 -0.716 1.00 0.00 H new ATOM 1014 N GLU A 71 -22.273 17.421 -3.207 1.00 0.00 N ATOM 1015 CA GLU A 71 -21.872 17.833 -1.867 1.00 0.00 C ATOM 1016 C GLU A 71 -20.793 16.907 -1.313 1.00 0.00 C ATOM 1017 O GLU A 71 -21.024 15.714 -1.120 1.00 0.00 O ATOM 1018 CB GLU A 71 -23.081 17.844 -0.929 1.00 0.00 C ATOM 1019 CG GLU A 71 -23.849 19.155 -0.942 1.00 0.00 C ATOM 1020 CD GLU A 71 -23.143 20.253 -0.170 1.00 0.00 C ATOM 1021 OE1 GLU A 71 -23.118 20.179 1.076 1.00 0.00 O ATOM 1022 OE2 GLU A 71 -22.617 21.186 -0.812 1.00 0.00 O ATOM 0 H GLU A 71 -22.775 16.534 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 71 -21.463 18.841 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -23.755 17.035 -1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -22.744 17.640 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.994 19.477 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -24.839 18.996 -0.516 1.00 0.00 H new ATOM 1029 N ALA A 72 -19.614 17.466 -1.059 1.00 0.00 N ATOM 1030 CA ALA A 72 -18.500 16.692 -0.526 1.00 0.00 C ATOM 1031 C ALA A 72 -17.661 17.528 0.434 1.00 0.00 C ATOM 1032 O ALA A 72 -17.939 18.707 0.655 1.00 0.00 O ATOM 1033 CB ALA A 72 -17.636 16.161 -1.661 1.00 0.00 C ATOM 0 H ALA A 72 -19.406 18.452 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 72 -18.908 15.848 0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.808 15.585 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -18.237 15.521 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -17.244 16.996 -2.241 1.00 0.00 H new ATOM 1039 N LYS A 73 -16.632 16.910 1.004 1.00 0.00 N ATOM 1040 CA LYS A 73 -15.750 17.596 1.941 1.00 0.00 C ATOM 1041 C LYS A 73 -14.425 17.956 1.278 1.00 0.00 C ATOM 1042 O LYS A 73 -13.597 17.085 1.011 1.00 0.00 O ATOM 1043 CB LYS A 73 -15.496 16.720 3.170 1.00 0.00 C ATOM 1044 CG LYS A 73 -14.962 15.339 2.831 1.00 0.00 C ATOM 1045 CD LYS A 73 -14.902 14.448 4.061 1.00 0.00 C ATOM 1046 CE LYS A 73 -13.630 14.687 4.861 1.00 0.00 C ATOM 1047 NZ LYS A 73 -13.266 13.505 5.690 1.00 0.00 N ATOM 0 H LYS A 73 -16.388 15.934 0.833 1.00 0.00 H new ATOM 0 HA LYS A 73 -16.241 18.517 2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.786 17.224 3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.426 16.614 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.598 14.877 2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.966 15.429 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.771 14.637 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.951 13.402 3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.811 14.919 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.764 15.555 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.394 13.708 6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.036 13.298 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.113 12.682 5.073 1.00 0.00 H new ATOM 1061 N SER A 74 -14.230 19.244 1.015 1.00 0.00 N ATOM 1062 CA SER A 74 -13.006 19.719 0.380 1.00 0.00 C ATOM 1063 C SER A 74 -12.827 21.218 0.598 1.00 0.00 C ATOM 1064 O SER A 74 -13.753 21.911 1.018 1.00 0.00 O ATOM 1065 CB SER A 74 -13.030 19.409 -1.118 1.00 0.00 C ATOM 1066 OG SER A 74 -12.724 18.047 -1.362 1.00 0.00 O ATOM 0 H SER A 74 -14.904 19.978 1.232 1.00 0.00 H new ATOM 0 HA SER A 74 -12.164 19.200 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.014 19.643 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.312 20.045 -1.636 1.00 0.00 H new ATOM 0 HG SER A 74 -12.871 17.527 -0.544 1.00 0.00 H new ATOM 1072 N GLY A 75 -11.627 21.713 0.309 1.00 0.00 N ATOM 1073 CA GLY A 75 -11.347 23.126 0.480 1.00 0.00 C ATOM 1074 C GLY A 75 -11.029 23.817 -0.832 1.00 0.00 C ATOM 1075 O GLY A 75 -9.885 23.840 -1.285 1.00 0.00 O ATOM 0 H GLY A 75 -10.844 21.160 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.207 23.610 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.507 23.247 1.164 1.00 0.00 H new ATOM 1079 N PRO A 76 -12.061 24.395 -1.465 1.00 0.00 N ATOM 1080 CA PRO A 76 -11.911 25.099 -2.742 1.00 0.00 C ATOM 1081 C PRO A 76 -11.141 26.407 -2.597 1.00 0.00 C ATOM 1082 O PRO A 76 -11.149 27.028 -1.534 1.00 0.00 O ATOM 1083 CB PRO A 76 -13.356 25.374 -3.167 1.00 0.00 C ATOM 1084 CG PRO A 76 -14.128 25.394 -1.893 1.00 0.00 C ATOM 1085 CD PRO A 76 -13.452 24.406 -0.983 1.00 0.00 C ATOM 0 HA PRO A 76 -11.343 24.514 -3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.439 26.324 -3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.724 24.601 -3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.130 26.391 -1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.169 25.119 -2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.513 24.714 0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.909 23.419 -1.051 1.00 0.00 H new ATOM 1093 N SER A 77 -10.477 26.820 -3.671 1.00 0.00 N ATOM 1094 CA SER A 77 -9.699 28.053 -3.662 1.00 0.00 C ATOM 1095 C SER A 77 -10.522 29.220 -4.199 1.00 0.00 C ATOM 1096 O SER A 77 -11.674 29.049 -4.597 1.00 0.00 O ATOM 1097 CB SER A 77 -8.427 27.885 -4.496 1.00 0.00 C ATOM 1098 OG SER A 77 -8.738 27.622 -5.853 1.00 0.00 O ATOM 0 H SER A 77 -10.462 26.319 -4.559 1.00 0.00 H new ATOM 0 HA SER A 77 -9.423 28.271 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.821 28.789 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.829 27.068 -4.092 1.00 0.00 H new ATOM 0 HG SER A 77 -7.909 27.520 -6.365 1.00 0.00 H new ATOM 1104 N SER A 78 -9.922 30.406 -4.206 1.00 0.00 N ATOM 1105 CA SER A 78 -10.600 31.602 -4.691 1.00 0.00 C ATOM 1106 C SER A 78 -10.098 31.987 -6.079 1.00 0.00 C ATOM 1107 O SER A 78 -9.061 31.505 -6.532 1.00 0.00 O ATOM 1108 CB SER A 78 -10.385 32.764 -3.719 1.00 0.00 C ATOM 1109 OG SER A 78 -11.416 33.729 -3.841 1.00 0.00 O ATOM 0 H SER A 78 -8.968 30.564 -3.881 1.00 0.00 H new ATOM 0 HA SER A 78 -11.666 31.384 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.355 32.386 -2.697 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.420 33.232 -3.914 1.00 0.00 H new ATOM 0 HG SER A 78 -11.256 34.460 -3.208 1.00 0.00 H new ATOM 1115 N GLY A 79 -10.845 32.858 -6.751 1.00 0.00 N ATOM 1116 CA GLY A 79 -10.461 33.293 -8.081 1.00 0.00 C ATOM 1117 C GLY A 79 -11.572 34.042 -8.789 1.00 0.00 C ATOM 1118 O GLY A 79 -12.739 33.834 -8.461 1.00 0.00 O ATOM 0 H GLY A 79 -11.709 33.270 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.582 33.934 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.176 32.425 -8.676 1.00 0.00 H new TER 1122 GLY A 79 HETATM 1123 ZN ZN A 201 3.805 -4.683 1.251 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -1.070 12.113 -1.390 1.00 0.00 ZN