USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 404 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 Single : A 1 VAL N :NH3+ 176:sc= -0.286 (180deg=-0.3) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc=-0.00517 X(o=-0.0052,f=0) USER MOD Single : A 6 ASN : amide:sc= 0.685 K(o=0.69,f=-0.09) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -0.013 K(o=-0.013,f=-3.7!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.035) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.01 K(o=-0.01,f=-1) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.882 K(o=0.88,f=-3.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.664 20.272 6.965 1.00 0.00 N ATOM 2 CA VAL A 1 5.231 19.337 8.028 1.00 0.00 C ATOM 3 C VAL A 1 3.922 18.690 7.730 1.00 0.00 C ATOM 4 O VAL A 1 3.087 19.237 7.010 1.00 0.00 O ATOM 5 CB VAL A 1 5.188 19.990 9.378 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.612 20.300 9.870 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.310 21.252 9.380 1.00 0.00 C ATOM 0 H1 VAL A 1 6.545 20.743 7.255 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.828 19.744 6.084 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.924 20.986 6.809 1.00 0.00 H new ATOM 0 HA VAL A 1 5.990 18.555 8.050 1.00 0.00 H new ATOM 0 HB VAL A 1 4.728 19.286 10.072 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.563 20.773 10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.182 19.374 9.942 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.102 20.973 9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.308 21.692 10.377 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.708 21.973 8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.291 20.987 9.098 1.00 0.00 H new ATOM 19 N VAL A 2 3.665 17.501 8.302 1.00 0.00 N ATOM 20 CA VAL A 2 2.445 16.776 8.119 1.00 0.00 C ATOM 21 C VAL A 2 1.469 17.187 9.168 1.00 0.00 C ATOM 22 O VAL A 2 1.841 17.503 10.297 1.00 0.00 O ATOM 23 CB VAL A 2 2.693 15.297 8.128 1.00 0.00 C ATOM 24 CG1 VAL A 2 3.160 14.774 9.497 1.00 0.00 C ATOM 25 CG2 VAL A 2 1.469 14.510 7.631 1.00 0.00 C ATOM 0 H VAL A 2 4.329 17.027 8.914 1.00 0.00 H new ATOM 0 HA VAL A 2 2.022 17.013 7.143 1.00 0.00 H new ATOM 0 HB VAL A 2 3.513 15.130 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.323 13.698 9.439 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.091 15.267 9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.398 14.986 10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.689 13.443 7.653 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.616 14.718 8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 2 1.233 14.811 6.610 1.00 0.00 H new ATOM 35 N SER A 3 0.166 17.261 8.839 1.00 0.00 N ATOM 36 CA SER A 3 -0.865 17.489 9.803 1.00 0.00 C ATOM 37 C SER A 3 -1.757 16.299 9.888 1.00 0.00 C ATOM 38 O SER A 3 -1.967 15.742 10.964 1.00 0.00 O ATOM 39 CB SER A 3 -1.669 18.773 9.539 1.00 0.00 C ATOM 40 OG SER A 3 -2.203 18.831 8.224 1.00 0.00 O ATOM 0 H SER A 3 -0.178 17.160 7.884 1.00 0.00 H new ATOM 0 HA SER A 3 -0.376 17.640 10.766 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.484 18.840 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.026 19.638 9.703 1.00 0.00 H new ATOM 0 HG SER A 3 -2.705 19.665 8.111 1.00 0.00 H new ATOM 46 N HIS A 4 -2.285 15.822 8.746 1.00 0.00 N ATOM 47 CA HIS A 4 -3.074 14.632 8.665 1.00 0.00 C ATOM 48 C HIS A 4 -2.497 13.707 7.650 1.00 0.00 C ATOM 49 O HIS A 4 -1.878 14.144 6.681 1.00 0.00 O ATOM 50 CB HIS A 4 -4.521 14.972 8.269 1.00 0.00 C ATOM 51 CG HIS A 4 -5.543 13.948 8.671 1.00 0.00 C ATOM 52 ND1 HIS A 4 -5.932 13.810 9.977 1.00 0.00 N ATOM 53 CD2 HIS A 4 -6.311 13.099 7.937 1.00 0.00 C ATOM 54 CE1 HIS A 4 -6.903 12.920 10.040 1.00 0.00 C ATOM 55 NE2 HIS A 4 -7.151 12.478 8.821 1.00 0.00 N ATOM 0 H HIS A 4 -2.157 16.283 7.845 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.072 14.153 9.644 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.790 15.928 8.718 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.565 15.103 7.188 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.267 12.945 6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.411 12.605 10.939 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.857 11.784 8.577 1.00 0.00 H new ATOM 64 N PHE A 5 -2.686 12.386 7.819 1.00 0.00 N ATOM 65 CA PHE A 5 -2.279 11.410 6.857 1.00 0.00 C ATOM 66 C PHE A 5 -3.414 11.055 5.958 1.00 0.00 C ATOM 67 O PHE A 5 -4.582 11.106 6.342 1.00 0.00 O ATOM 68 CB PHE A 5 -1.754 10.130 7.529 1.00 0.00 C ATOM 69 CG PHE A 5 -0.330 10.299 7.934 1.00 0.00 C ATOM 70 CD1 PHE A 5 0.026 11.031 9.043 1.00 0.00 C ATOM 71 CD2 PHE A 5 0.658 9.715 7.178 1.00 0.00 C ATOM 72 CE1 PHE A 5 1.348 11.178 9.392 1.00 0.00 C ATOM 73 CE2 PHE A 5 1.984 9.861 7.512 1.00 0.00 C ATOM 74 CZ PHE A 5 2.328 10.590 8.626 1.00 0.00 C ATOM 0 H PHE A 5 -3.133 11.987 8.645 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.471 11.854 6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.361 9.896 8.403 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.845 9.288 6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.741 11.495 9.646 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.389 9.133 6.309 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.616 11.754 10.265 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.751 9.406 6.903 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.367 10.701 8.900 1.00 0.00 H new ATOM 84 N ASN A 6 -3.095 10.665 4.711 1.00 0.00 N ATOM 85 CA ASN A 6 -4.058 10.338 3.707 1.00 0.00 C ATOM 86 C ASN A 6 -4.049 8.874 3.424 1.00 0.00 C ATOM 87 O ASN A 6 -3.053 8.186 3.643 1.00 0.00 O ATOM 88 CB ASN A 6 -3.766 11.064 2.383 1.00 0.00 C ATOM 89 CG ASN A 6 -3.704 12.571 2.590 1.00 0.00 C ATOM 90 OD1 ASN A 6 -4.537 13.174 3.265 1.00 0.00 O ATOM 91 ND2 ASN A 6 -2.676 13.221 1.981 1.00 0.00 N ATOM 0 H ASN A 6 -2.131 10.574 4.391 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.027 10.651 4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.821 10.711 1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -4.541 10.825 1.654 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.583 14.232 2.079 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.999 12.697 1.427 1.00 0.00 H new ATOM 98 N ASP A 7 -5.168 8.348 2.895 1.00 0.00 N ATOM 99 CA ASP A 7 -5.231 7.089 2.219 1.00 0.00 C ATOM 100 C ASP A 7 -5.179 7.327 0.749 1.00 0.00 C ATOM 101 O ASP A 7 -4.890 8.438 0.306 1.00 0.00 O ATOM 102 CB ASP A 7 -6.433 6.247 2.678 1.00 0.00 C ATOM 103 CG ASP A 7 -7.782 6.896 2.404 1.00 0.00 C ATOM 104 OD1 ASP A 7 -8.143 7.873 3.113 1.00 0.00 O ATOM 105 OD2 ASP A 7 -8.494 6.434 1.473 1.00 0.00 O ATOM 0 H ASP A 7 -6.070 8.822 2.941 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.365 6.482 2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.398 5.279 2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.343 6.056 3.747 1.00 0.00 H new ATOM 110 N CYS A 8 -5.453 6.311 -0.089 1.00 0.00 N ATOM 111 CA CYS A 8 -5.307 6.400 -1.509 1.00 0.00 C ATOM 112 C CYS A 8 -6.130 7.461 -2.155 1.00 0.00 C ATOM 113 O CYS A 8 -7.270 7.669 -1.744 1.00 0.00 O ATOM 114 CB CYS A 8 -5.630 5.065 -2.203 1.00 0.00 C ATOM 115 SG CYS A 8 -4.284 3.848 -2.124 1.00 0.00 S ATOM 0 H CYS A 8 -5.786 5.401 0.230 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.258 6.664 -1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.522 4.636 -1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.870 5.259 -3.248 1.00 0.00 H new ATOM 120 N PRO A 9 -5.653 8.183 -3.125 1.00 0.00 N ATOM 121 CA PRO A 9 -6.381 9.248 -3.750 1.00 0.00 C ATOM 122 C PRO A 9 -7.423 8.744 -4.689 1.00 0.00 C ATOM 123 O PRO A 9 -7.575 7.541 -4.890 1.00 0.00 O ATOM 124 CB PRO A 9 -5.292 10.026 -4.483 1.00 0.00 C ATOM 125 CG PRO A 9 -4.336 8.927 -4.973 1.00 0.00 C ATOM 126 CD PRO A 9 -4.382 7.944 -3.793 1.00 0.00 C ATOM 0 HA PRO A 9 -6.936 9.855 -3.034 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.700 10.603 -5.313 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.788 10.731 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.676 8.470 -5.903 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.330 9.307 -5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.311 6.913 -4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.546 8.110 -3.113 1.00 0.00 H new ATOM 134 N LEU A 10 -8.197 9.671 -5.283 1.00 0.00 N ATOM 135 CA LEU A 10 -9.288 9.416 -6.172 1.00 0.00 C ATOM 136 C LEU A 10 -8.928 8.617 -7.377 1.00 0.00 C ATOM 137 O LEU A 10 -9.697 7.768 -7.823 1.00 0.00 O ATOM 138 CB LEU A 10 -9.954 10.731 -6.615 1.00 0.00 C ATOM 139 CG LEU A 10 -10.603 11.573 -5.506 1.00 0.00 C ATOM 140 CD1 LEU A 10 -9.619 12.460 -4.725 1.00 0.00 C ATOM 141 CD2 LEU A 10 -11.691 12.474 -6.112 1.00 0.00 C ATOM 0 H LEU A 10 -8.049 10.669 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.985 8.811 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.203 11.343 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.717 10.495 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.016 10.856 -4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.160 13.020 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.864 11.834 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.134 13.156 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.150 13.070 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.244 13.136 -6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.452 11.856 -6.589 1.00 0.00 H new ATOM 153 N SER A 11 -7.732 8.840 -7.953 1.00 0.00 N ATOM 154 CA SER A 11 -7.206 8.065 -9.033 1.00 0.00 C ATOM 155 C SER A 11 -6.607 6.782 -8.569 1.00 0.00 C ATOM 156 O SER A 11 -6.000 6.696 -7.503 1.00 0.00 O ATOM 157 CB SER A 11 -6.120 8.792 -9.845 1.00 0.00 C ATOM 158 OG SER A 11 -6.576 10.069 -10.266 1.00 0.00 O ATOM 0 H SER A 11 -7.108 9.589 -7.654 1.00 0.00 H new ATOM 0 HA SER A 11 -8.075 7.885 -9.666 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.220 8.903 -9.240 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.847 8.193 -10.714 1.00 0.00 H new ATOM 0 HG SER A 11 -5.870 10.516 -10.779 1.00 0.00 H new ATOM 164 N HIS A 12 -6.750 5.710 -9.368 1.00 0.00 N ATOM 165 CA HIS A 12 -6.303 4.393 -9.033 1.00 0.00 C ATOM 166 C HIS A 12 -4.836 4.227 -9.240 1.00 0.00 C ATOM 167 O HIS A 12 -4.244 4.811 -10.148 1.00 0.00 O ATOM 168 CB HIS A 12 -7.072 3.362 -9.876 1.00 0.00 C ATOM 169 CG HIS A 12 -7.089 1.945 -9.385 1.00 0.00 C ATOM 170 ND1 HIS A 12 -6.013 1.098 -9.412 1.00 0.00 N ATOM 171 CD2 HIS A 12 -8.143 1.224 -8.914 1.00 0.00 C ATOM 172 CE1 HIS A 12 -6.387 -0.085 -8.958 1.00 0.00 C ATOM 173 NE2 HIS A 12 -7.674 -0.040 -8.669 1.00 0.00 N ATOM 0 H HIS A 12 -7.195 5.762 -10.284 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.500 4.233 -7.973 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.104 3.701 -9.963 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.649 3.365 -10.881 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -5.075 1.341 -9.731 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.152 1.579 -8.763 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.746 -0.946 -8.842 1.00 0.00 H new ATOM 182 N ASP A 13 -4.182 3.388 -8.418 1.00 0.00 N ATOM 183 CA ASP A 13 -2.802 3.029 -8.509 1.00 0.00 C ATOM 184 C ASP A 13 -2.499 2.162 -9.683 1.00 0.00 C ATOM 185 O ASP A 13 -3.376 1.503 -10.237 1.00 0.00 O ATOM 186 CB ASP A 13 -2.335 2.380 -7.195 1.00 0.00 C ATOM 187 CG ASP A 13 -3.226 1.233 -6.739 1.00 0.00 C ATOM 188 OD1 ASP A 13 -4.420 1.495 -6.434 1.00 0.00 O ATOM 189 OD2 ASP A 13 -2.748 0.070 -6.666 1.00 0.00 O ATOM 0 H ASP A 13 -4.651 2.930 -7.637 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.240 3.950 -8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.317 2.012 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.304 3.140 -6.414 1.00 0.00 H new ATOM 194 N GLY A 14 -1.227 2.167 -10.118 1.00 0.00 N ATOM 195 CA GLY A 14 -0.743 1.361 -11.196 1.00 0.00 C ATOM 196 C GLY A 14 0.631 0.842 -10.945 1.00 0.00 C ATOM 197 O GLY A 14 0.989 -0.254 -11.374 1.00 0.00 O ATOM 0 H GLY A 14 -0.506 2.756 -9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.422 0.523 -11.353 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.744 1.948 -12.114 1.00 0.00 H new ATOM 201 N TYR A 15 1.480 1.608 -10.236 1.00 0.00 N ATOM 202 CA TYR A 15 2.827 1.249 -9.921 1.00 0.00 C ATOM 203 C TYR A 15 2.923 0.231 -8.838 1.00 0.00 C ATOM 204 O TYR A 15 3.838 -0.590 -8.811 1.00 0.00 O ATOM 205 CB TYR A 15 3.586 2.530 -9.533 1.00 0.00 C ATOM 206 CG TYR A 15 5.034 2.305 -9.267 1.00 0.00 C ATOM 207 CD1 TYR A 15 5.854 1.799 -10.247 1.00 0.00 C ATOM 208 CD2 TYR A 15 5.555 2.564 -8.021 1.00 0.00 C ATOM 209 CE1 TYR A 15 7.182 1.554 -9.991 1.00 0.00 C ATOM 210 CE2 TYR A 15 6.885 2.329 -7.759 1.00 0.00 C ATOM 211 CZ TYR A 15 7.703 1.839 -8.750 1.00 0.00 C ATOM 212 OH TYR A 15 9.080 1.677 -8.492 1.00 0.00 O ATOM 0 H TYR A 15 1.214 2.520 -9.865 1.00 0.00 H new ATOM 0 HA TYR A 15 3.273 0.785 -10.801 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.481 3.262 -10.334 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.124 2.962 -8.645 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.451 1.592 -11.227 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.916 2.954 -7.243 1.00 0.00 H new ATOM 0 HE1 TYR A 15 7.815 1.139 -10.762 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.286 2.529 -6.776 1.00 0.00 H new ATOM 0 HH TYR A 15 9.270 1.926 -7.564 1.00 0.00 H new ATOM 222 N CYS A 16 1.979 0.251 -7.879 1.00 0.00 N ATOM 223 CA CYS A 16 1.953 -0.618 -6.745 1.00 0.00 C ATOM 224 C CYS A 16 1.058 -1.773 -7.036 1.00 0.00 C ATOM 225 O CYS A 16 0.016 -1.622 -7.671 1.00 0.00 O ATOM 226 CB CYS A 16 1.538 0.156 -5.482 1.00 0.00 C ATOM 227 SG CYS A 16 2.612 1.603 -5.257 1.00 0.00 S ATOM 0 H CYS A 16 1.197 0.905 -7.897 1.00 0.00 H new ATOM 0 HA CYS A 16 2.950 -1.011 -6.549 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.499 0.474 -5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.603 -0.494 -4.610 1.00 0.00 H new ATOM 232 N LEU A 17 1.456 -3.001 -6.658 1.00 0.00 N ATOM 233 CA LEU A 17 0.843 -4.191 -7.160 1.00 0.00 C ATOM 234 C LEU A 17 -0.173 -4.789 -6.248 1.00 0.00 C ATOM 235 O LEU A 17 -0.203 -4.562 -5.039 1.00 0.00 O ATOM 236 CB LEU A 17 1.887 -5.236 -7.590 1.00 0.00 C ATOM 237 CG LEU A 17 2.315 -5.097 -9.059 1.00 0.00 C ATOM 238 CD1 LEU A 17 2.946 -3.733 -9.389 1.00 0.00 C ATOM 239 CD2 LEU A 17 3.251 -6.253 -9.451 1.00 0.00 C ATOM 0 H LEU A 17 2.213 -3.170 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 17 0.292 -3.870 -8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.766 -5.145 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.479 -6.234 -7.430 1.00 0.00 H new ATOM 0 HG LEU A 17 1.406 -5.152 -9.657 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.224 -3.706 -10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.227 -2.940 -9.183 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.835 -3.585 -8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.547 -6.143 -10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.138 -6.234 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.732 -7.202 -9.319 1.00 0.00 H new ATOM 251 N HIS A 18 -1.085 -5.568 -6.856 1.00 0.00 N ATOM 252 CA HIS A 18 -2.272 -6.143 -6.304 1.00 0.00 C ATOM 253 C HIS A 18 -3.148 -5.195 -5.557 1.00 0.00 C ATOM 254 O HIS A 18 -3.648 -5.524 -4.483 1.00 0.00 O ATOM 255 CB HIS A 18 -1.967 -7.405 -5.480 1.00 0.00 C ATOM 256 CG HIS A 18 -3.096 -8.372 -5.283 1.00 0.00 C ATOM 257 ND1 HIS A 18 -2.839 -9.663 -4.906 1.00 0.00 N ATOM 258 CD2 HIS A 18 -4.447 -8.270 -5.407 1.00 0.00 C ATOM 259 CE1 HIS A 18 -3.976 -10.326 -4.810 1.00 0.00 C ATOM 260 NE2 HIS A 18 -4.963 -9.504 -5.113 1.00 0.00 N ATOM 0 H HIS A 18 -0.976 -5.820 -7.838 1.00 0.00 H new ATOM 0 HA HIS A 18 -2.862 -6.433 -7.174 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.146 -7.935 -5.962 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.612 -7.092 -4.498 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.004 -7.387 -5.684 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.081 -11.364 -4.531 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.953 -9.749 -5.126 1.00 0.00 H new ATOM 269 N ASP A 19 -3.359 -3.996 -6.127 1.00 0.00 N ATOM 270 CA ASP A 19 -4.112 -2.908 -5.585 1.00 0.00 C ATOM 271 C ASP A 19 -3.611 -2.439 -4.262 1.00 0.00 C ATOM 272 O ASP A 19 -4.127 -2.792 -3.203 1.00 0.00 O ATOM 273 CB ASP A 19 -5.627 -3.172 -5.615 1.00 0.00 C ATOM 274 CG ASP A 19 -6.053 -3.585 -7.017 1.00 0.00 C ATOM 275 OD1 ASP A 19 -5.915 -2.772 -7.970 1.00 0.00 O ATOM 276 OD2 ASP A 19 -6.558 -4.727 -7.186 1.00 0.00 O ATOM 0 H ASP A 19 -2.970 -3.770 -7.043 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.945 -2.063 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.883 -3.956 -4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.167 -2.276 -5.310 1.00 0.00 H new ATOM 281 N GLY A 20 -2.554 -1.608 -4.266 1.00 0.00 N ATOM 282 CA GLY A 20 -1.731 -1.366 -3.121 1.00 0.00 C ATOM 283 C GLY A 20 -2.263 -0.357 -2.162 1.00 0.00 C ATOM 284 O GLY A 20 -3.026 0.540 -2.515 1.00 0.00 O ATOM 0 H GLY A 20 -2.262 -1.087 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.587 -2.307 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.749 -1.038 -3.462 1.00 0.00 H new ATOM 288 N VAL A 21 -1.853 -0.454 -0.885 1.00 0.00 N ATOM 289 CA VAL A 21 -2.285 0.411 0.168 1.00 0.00 C ATOM 290 C VAL A 21 -1.429 1.629 0.182 1.00 0.00 C ATOM 291 O VAL A 21 -0.362 1.684 0.793 1.00 0.00 O ATOM 292 CB VAL A 21 -2.300 -0.275 1.502 1.00 0.00 C ATOM 293 CG1 VAL A 21 -2.883 0.649 2.585 1.00 0.00 C ATOM 294 CG2 VAL A 21 -3.150 -1.553 1.410 1.00 0.00 C ATOM 0 H VAL A 21 -1.192 -1.166 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.318 0.702 -0.025 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.275 -0.527 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.884 0.130 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.275 1.550 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.904 0.922 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.162 -2.053 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.169 -1.292 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.723 -2.221 0.662 1.00 0.00 H new ATOM 304 N CYS A 22 -1.848 2.665 -0.567 1.00 0.00 N ATOM 305 CA CYS A 22 -1.055 3.809 -0.890 1.00 0.00 C ATOM 306 C CYS A 22 -1.314 5.005 -0.040 1.00 0.00 C ATOM 307 O CYS A 22 -2.427 5.252 0.422 1.00 0.00 O ATOM 308 CB CYS A 22 -1.166 4.139 -2.388 1.00 0.00 C ATOM 309 SG CYS A 22 -2.734 4.780 -3.043 1.00 0.00 S ATOM 0 H CYS A 22 -2.786 2.706 -0.966 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.026 3.531 -0.662 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.391 4.869 -2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.926 3.231 -2.942 1.00 0.00 H new ATOM 314 N MET A 23 -0.257 5.800 0.210 1.00 0.00 N ATOM 315 CA MET A 23 -0.356 7.004 0.975 1.00 0.00 C ATOM 316 C MET A 23 0.595 8.037 0.476 1.00 0.00 C ATOM 317 O MET A 23 1.809 7.963 0.664 1.00 0.00 O ATOM 318 CB MET A 23 -0.175 6.750 2.481 1.00 0.00 C ATOM 319 CG MET A 23 1.027 5.891 2.878 1.00 0.00 C ATOM 320 SD MET A 23 1.063 5.432 4.637 1.00 0.00 S ATOM 321 CE MET A 23 1.982 6.900 5.182 1.00 0.00 C ATOM 0 H MET A 23 0.685 5.602 -0.126 1.00 0.00 H new ATOM 0 HA MET A 23 -1.367 7.389 0.841 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.089 7.713 2.984 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.079 6.272 2.860 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.025 4.982 2.276 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.942 6.431 2.636 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.136 6.853 6.260 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.948 6.932 4.678 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.414 7.797 4.935 1.00 0.00 H new ATOM 331 N TYR A 24 0.065 9.062 -0.213 1.00 0.00 N ATOM 332 CA TYR A 24 0.779 10.207 -0.684 1.00 0.00 C ATOM 333 C TYR A 24 0.570 11.346 0.254 1.00 0.00 C ATOM 334 O TYR A 24 -0.557 11.762 0.521 1.00 0.00 O ATOM 335 CB TYR A 24 0.312 10.571 -2.104 1.00 0.00 C ATOM 336 CG TYR A 24 1.317 11.351 -2.880 1.00 0.00 C ATOM 337 CD1 TYR A 24 1.590 12.661 -2.567 1.00 0.00 C ATOM 338 CD2 TYR A 24 1.953 10.763 -3.948 1.00 0.00 C ATOM 339 CE1 TYR A 24 2.534 13.364 -3.278 1.00 0.00 C ATOM 340 CE2 TYR A 24 2.907 11.459 -4.654 1.00 0.00 C ATOM 341 CZ TYR A 24 3.200 12.761 -4.320 1.00 0.00 C ATOM 342 OH TYR A 24 4.141 13.493 -5.074 1.00 0.00 O ATOM 0 H TYR A 24 -0.925 9.092 -0.456 1.00 0.00 H new ATOM 0 HA TYR A 24 1.845 9.981 -0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.077 9.655 -2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.611 11.147 -2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.060 13.141 -1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.703 9.752 -4.233 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.753 14.389 -3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.427 10.982 -5.472 1.00 0.00 H new ATOM 0 HH TYR A 24 4.520 12.918 -5.771 1.00 0.00 H new ATOM 352 N ILE A 25 1.653 11.916 0.809 1.00 0.00 N ATOM 353 CA ILE A 25 1.561 13.061 1.662 1.00 0.00 C ATOM 354 C ILE A 25 2.157 14.209 0.922 1.00 0.00 C ATOM 355 O ILE A 25 3.373 14.381 0.856 1.00 0.00 O ATOM 356 CB ILE A 25 2.282 12.807 2.952 1.00 0.00 C ATOM 357 CG1 ILE A 25 1.805 11.528 3.660 1.00 0.00 C ATOM 358 CG2 ILE A 25 2.117 14.036 3.862 1.00 0.00 C ATOM 359 CD1 ILE A 25 0.319 11.500 4.016 1.00 0.00 C ATOM 0 H ILE A 25 2.605 11.579 0.665 1.00 0.00 H new ATOM 0 HA ILE A 25 0.524 13.280 1.917 1.00 0.00 H new ATOM 0 HB ILE A 25 3.336 12.647 2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.026 10.673 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.384 11.400 4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.637 13.864 4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.539 14.912 3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.058 14.204 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.081 10.558 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.089 12.330 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.275 11.592 3.107 1.00 0.00 H new ATOM 371 N GLU A 26 1.309 15.084 0.355 1.00 0.00 N ATOM 372 CA GLU A 26 1.716 16.217 -0.418 1.00 0.00 C ATOM 373 C GLU A 26 2.419 17.280 0.354 1.00 0.00 C ATOM 374 O GLU A 26 3.191 18.058 -0.202 1.00 0.00 O ATOM 375 CB GLU A 26 0.531 16.852 -1.166 1.00 0.00 C ATOM 376 CG GLU A 26 -0.133 15.967 -2.223 1.00 0.00 C ATOM 377 CD GLU A 26 -1.184 16.768 -2.977 1.00 0.00 C ATOM 378 OE1 GLU A 26 -0.839 17.853 -3.517 1.00 0.00 O ATOM 379 OE2 GLU A 26 -2.370 16.344 -3.019 1.00 0.00 O ATOM 0 H GLU A 26 0.296 14.999 0.438 1.00 0.00 H new ATOM 0 HA GLU A 26 2.436 15.804 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.223 17.143 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.877 17.766 -1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.617 15.589 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.594 15.101 -1.748 1.00 0.00 H new ATOM 386 N ALA A 27 2.168 17.388 1.671 1.00 0.00 N ATOM 387 CA ALA A 27 2.850 18.285 2.551 1.00 0.00 C ATOM 388 C ALA A 27 4.317 18.038 2.629 1.00 0.00 C ATOM 389 O ALA A 27 5.134 18.954 2.561 1.00 0.00 O ATOM 390 CB ALA A 27 2.249 18.183 3.964 1.00 0.00 C ATOM 0 H ALA A 27 1.459 16.826 2.142 1.00 0.00 H new ATOM 0 HA ALA A 27 2.714 19.285 2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.771 18.868 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.192 18.445 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.358 17.163 4.333 1.00 0.00 H new ATOM 396 N LEU A 28 4.702 16.756 2.764 1.00 0.00 N ATOM 397 CA LEU A 28 6.061 16.332 2.903 1.00 0.00 C ATOM 398 C LEU A 28 6.691 16.065 1.579 1.00 0.00 C ATOM 399 O LEU A 28 7.914 16.102 1.454 1.00 0.00 O ATOM 400 CB LEU A 28 6.124 15.043 3.740 1.00 0.00 C ATOM 401 CG LEU A 28 5.490 15.149 5.138 1.00 0.00 C ATOM 402 CD1 LEU A 28 5.652 13.823 5.901 1.00 0.00 C ATOM 403 CD2 LEU A 28 6.081 16.303 5.966 1.00 0.00 C ATOM 0 H LEU A 28 4.038 15.982 2.777 1.00 0.00 H new ATOM 0 HA LEU A 28 6.605 17.138 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.625 14.245 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.168 14.750 3.851 1.00 0.00 H new ATOM 0 HG LEU A 28 4.431 15.361 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.199 13.913 6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.161 13.023 5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.712 13.592 6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.599 16.334 6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.152 16.147 6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.911 17.247 5.448 1.00 0.00 H new ATOM 415 N ASP A 29 5.864 15.772 0.561 1.00 0.00 N ATOM 416 CA ASP A 29 6.186 15.678 -0.829 1.00 0.00 C ATOM 417 C ASP A 29 6.799 14.373 -1.206 1.00 0.00 C ATOM 418 O ASP A 29 7.585 14.265 -2.146 1.00 0.00 O ATOM 419 CB ASP A 29 6.936 16.934 -1.304 1.00 0.00 C ATOM 420 CG ASP A 29 6.823 17.221 -2.795 1.00 0.00 C ATOM 421 OD1 ASP A 29 5.687 17.342 -3.329 1.00 0.00 O ATOM 422 OD2 ASP A 29 7.881 17.388 -3.457 1.00 0.00 O ATOM 0 H ASP A 29 4.876 15.583 0.729 1.00 0.00 H new ATOM 0 HA ASP A 29 5.255 15.669 -1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.558 17.795 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.990 16.829 -1.048 1.00 0.00 H new ATOM 427 N LYS A 30 6.430 13.283 -0.511 1.00 0.00 N ATOM 428 CA LYS A 30 6.770 11.943 -0.877 1.00 0.00 C ATOM 429 C LYS A 30 5.627 11.017 -0.634 1.00 0.00 C ATOM 430 O LYS A 30 4.579 11.415 -0.129 1.00 0.00 O ATOM 431 CB LYS A 30 8.081 11.510 -0.199 1.00 0.00 C ATOM 432 CG LYS A 30 8.011 10.856 1.182 1.00 0.00 C ATOM 433 CD LYS A 30 7.169 11.604 2.218 1.00 0.00 C ATOM 434 CE LYS A 30 7.484 11.269 3.677 1.00 0.00 C ATOM 435 NZ LYS A 30 7.248 9.844 3.997 1.00 0.00 N ATOM 0 H LYS A 30 5.872 13.337 0.341 1.00 0.00 H new ATOM 0 HA LYS A 30 6.960 11.900 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.586 10.814 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.717 12.391 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.608 9.849 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.025 10.752 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.307 12.675 2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.117 11.389 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.525 11.517 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.871 11.891 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.476 9.670 4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.249 9.610 3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.852 9.248 3.395 1.00 0.00 H new ATOM 449 N TYR A 31 5.781 9.729 -0.987 1.00 0.00 N ATOM 450 CA TYR A 31 4.765 8.743 -0.789 1.00 0.00 C ATOM 451 C TYR A 31 5.283 7.404 -0.387 1.00 0.00 C ATOM 452 O TYR A 31 6.473 7.114 -0.507 1.00 0.00 O ATOM 453 CB TYR A 31 3.783 8.665 -1.969 1.00 0.00 C ATOM 454 CG TYR A 31 4.235 7.889 -3.158 1.00 0.00 C ATOM 455 CD1 TYR A 31 5.113 8.428 -4.069 1.00 0.00 C ATOM 456 CD2 TYR A 31 3.712 6.637 -3.375 1.00 0.00 C ATOM 457 CE1 TYR A 31 5.445 7.728 -5.205 1.00 0.00 C ATOM 458 CE2 TYR A 31 4.039 5.935 -4.512 1.00 0.00 C ATOM 459 CZ TYR A 31 4.895 6.488 -5.434 1.00 0.00 C ATOM 460 OH TYR A 31 5.184 5.800 -6.632 1.00 0.00 O ATOM 0 H TYR A 31 6.630 9.365 -1.419 1.00 0.00 H new ATOM 0 HA TYR A 31 4.197 9.094 0.073 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.852 8.228 -1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.555 9.681 -2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.543 9.403 -3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.041 6.202 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.137 8.152 -5.917 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.624 4.952 -4.680 1.00 0.00 H new ATOM 0 HH TYR A 31 4.717 4.939 -6.635 1.00 0.00 H new ATOM 470 N ALA A 32 4.377 6.527 0.077 1.00 0.00 N ATOM 471 CA ALA A 32 4.658 5.143 0.304 1.00 0.00 C ATOM 472 C ALA A 32 3.536 4.297 -0.193 1.00 0.00 C ATOM 473 O ALA A 32 2.388 4.729 -0.271 1.00 0.00 O ATOM 474 CB ALA A 32 4.899 4.873 1.798 1.00 0.00 C ATOM 0 H ALA A 32 3.417 6.789 0.302 1.00 0.00 H new ATOM 0 HA ALA A 32 5.564 4.886 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.111 3.814 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.747 5.465 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.010 5.148 2.366 1.00 0.00 H new ATOM 480 N CYS A 33 3.843 3.039 -0.557 1.00 0.00 N ATOM 481 CA CYS A 33 2.886 2.019 -0.852 1.00 0.00 C ATOM 482 C CYS A 33 3.136 0.873 0.068 1.00 0.00 C ATOM 483 O CYS A 33 4.187 0.235 0.019 1.00 0.00 O ATOM 484 CB CYS A 33 2.983 1.485 -2.291 1.00 0.00 C ATOM 485 SG CYS A 33 2.055 2.464 -3.506 1.00 0.00 S ATOM 0 H CYS A 33 4.807 2.718 -0.650 1.00 0.00 H new ATOM 0 HA CYS A 33 1.897 2.461 -0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.032 1.457 -2.587 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.618 0.458 -2.312 1.00 0.00 H new ATOM 490 N ASN A 34 2.158 0.552 0.933 1.00 0.00 N ATOM 491 CA ASN A 34 2.182 -0.585 1.799 1.00 0.00 C ATOM 492 C ASN A 34 1.466 -1.709 1.132 1.00 0.00 C ATOM 493 O ASN A 34 0.872 -1.556 0.066 1.00 0.00 O ATOM 494 CB ASN A 34 1.555 -0.249 3.163 1.00 0.00 C ATOM 495 CG ASN A 34 2.395 0.795 3.883 1.00 0.00 C ATOM 496 OD1 ASN A 34 3.603 0.921 3.693 1.00 0.00 O ATOM 497 ND2 ASN A 34 1.745 1.586 4.779 1.00 0.00 N ATOM 0 H ASN A 34 1.311 1.111 1.033 1.00 0.00 H new ATOM 0 HA ASN A 34 3.214 -0.881 1.989 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.540 0.123 3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.483 -1.151 3.771 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.260 2.294 5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.742 1.471 4.927 1.00 0.00 H new ATOM 504 N CYS A 35 1.532 -2.924 1.704 1.00 0.00 N ATOM 505 CA CYS A 35 0.947 -4.077 1.095 1.00 0.00 C ATOM 506 C CYS A 35 0.399 -5.020 2.110 1.00 0.00 C ATOM 507 O CYS A 35 0.533 -4.820 3.316 1.00 0.00 O ATOM 508 CB CYS A 35 1.945 -4.778 0.157 1.00 0.00 C ATOM 509 SG CYS A 35 3.420 -5.467 0.962 1.00 0.00 S ATOM 0 H CYS A 35 1.994 -3.108 2.595 1.00 0.00 H new ATOM 0 HA CYS A 35 0.108 -3.734 0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.425 -5.584 -0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.266 -4.065 -0.602 1.00 0.00 H new ATOM 514 N VAL A 36 -0.266 -6.091 1.640 1.00 0.00 N ATOM 515 CA VAL A 36 -0.961 -7.040 2.452 1.00 0.00 C ATOM 516 C VAL A 36 -0.040 -7.943 3.199 1.00 0.00 C ATOM 517 O VAL A 36 1.088 -8.213 2.790 1.00 0.00 O ATOM 518 CB VAL A 36 -1.933 -7.846 1.642 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.023 -8.498 2.508 1.00 0.00 C ATOM 520 CG2 VAL A 36 -2.615 -6.959 0.585 1.00 0.00 C ATOM 0 H VAL A 36 -0.321 -6.305 0.644 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.515 -6.458 3.189 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.355 -8.637 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.700 -9.069 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.560 -9.164 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.584 -7.723 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.317 -7.558 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.151 -6.150 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.860 -6.540 -0.080 1.00 0.00 H new ATOM 530 N VAL A 37 -0.492 -8.452 4.358 1.00 0.00 N ATOM 531 CA VAL A 37 0.191 -9.384 5.202 1.00 0.00 C ATOM 532 C VAL A 37 0.401 -10.713 4.562 1.00 0.00 C ATOM 533 O VAL A 37 -0.512 -11.368 4.063 1.00 0.00 O ATOM 534 CB VAL A 37 -0.472 -9.494 6.542 1.00 0.00 C ATOM 535 CG1 VAL A 37 -1.948 -9.915 6.434 1.00 0.00 C ATOM 536 CG2 VAL A 37 0.299 -10.435 7.483 1.00 0.00 C ATOM 0 H VAL A 37 -1.404 -8.192 4.733 1.00 0.00 H new ATOM 0 HA VAL A 37 1.191 -8.981 5.363 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.453 -8.494 6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.382 -9.980 7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.495 -9.176 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.014 -10.887 5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.213 -10.488 8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.348 -11.431 7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.309 -10.054 7.631 1.00 0.00 H new ATOM 546 N GLY A 38 1.665 -11.170 4.509 1.00 0.00 N ATOM 547 CA GLY A 38 2.028 -12.398 3.874 1.00 0.00 C ATOM 548 C GLY A 38 2.027 -12.334 2.386 1.00 0.00 C ATOM 549 O GLY A 38 1.744 -13.318 1.704 1.00 0.00 O ATOM 0 H GLY A 38 2.455 -10.672 4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.021 -12.691 4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.338 -13.179 4.194 1.00 0.00 H new ATOM 553 N TYR A 39 2.372 -11.161 1.824 1.00 0.00 N ATOM 554 CA TYR A 39 2.631 -11.000 0.427 1.00 0.00 C ATOM 555 C TYR A 39 3.976 -10.367 0.330 1.00 0.00 C ATOM 556 O TYR A 39 4.272 -9.396 1.026 1.00 0.00 O ATOM 557 CB TYR A 39 1.551 -10.183 -0.303 1.00 0.00 C ATOM 558 CG TYR A 39 0.305 -10.989 -0.434 1.00 0.00 C ATOM 559 CD1 TYR A 39 -0.594 -11.059 0.604 1.00 0.00 C ATOM 560 CD2 TYR A 39 0.037 -11.682 -1.591 1.00 0.00 C ATOM 561 CE1 TYR A 39 -1.760 -11.777 0.483 1.00 0.00 C ATOM 562 CE2 TYR A 39 -1.124 -12.406 -1.724 1.00 0.00 C ATOM 563 CZ TYR A 39 -2.028 -12.447 -0.688 1.00 0.00 C ATOM 564 OH TYR A 39 -3.245 -13.151 -0.808 1.00 0.00 O ATOM 0 H TYR A 39 2.474 -10.298 2.359 1.00 0.00 H new ATOM 0 HA TYR A 39 2.608 -11.967 -0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.344 -9.265 0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.910 -9.890 -1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.381 -10.542 1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.747 -11.657 -2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.462 -11.815 1.303 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.326 -12.941 -2.640 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.293 -13.573 -1.691 1.00 0.00 H new ATOM 574 N ILE A 40 4.871 -10.980 -0.464 1.00 0.00 N ATOM 575 CA ILE A 40 6.288 -10.829 -0.351 1.00 0.00 C ATOM 576 C ILE A 40 6.905 -10.502 -1.668 1.00 0.00 C ATOM 577 O ILE A 40 6.266 -10.535 -2.717 1.00 0.00 O ATOM 578 CB ILE A 40 6.935 -12.032 0.267 1.00 0.00 C ATOM 579 CG1 ILE A 40 6.600 -13.329 -0.488 1.00 0.00 C ATOM 580 CG2 ILE A 40 6.516 -12.109 1.745 1.00 0.00 C ATOM 581 CD1 ILE A 40 7.342 -14.561 0.031 1.00 0.00 C ATOM 0 H ILE A 40 4.595 -11.609 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 40 6.466 -9.989 0.320 1.00 0.00 H new ATOM 0 HB ILE A 40 8.018 -11.925 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.527 -13.509 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.836 -13.194 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.979 -12.980 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.840 -11.206 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.431 -12.196 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.051 -15.434 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.417 -14.404 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.088 -14.724 1.078 1.00 0.00 H new ATOM 593 N GLY A 41 8.197 -10.130 -1.662 1.00 0.00 N ATOM 594 CA GLY A 41 8.888 -9.615 -2.803 1.00 0.00 C ATOM 595 C GLY A 41 8.884 -8.124 -2.823 1.00 0.00 C ATOM 596 O GLY A 41 8.165 -7.470 -2.070 1.00 0.00 O ATOM 0 H GLY A 41 8.784 -10.190 -0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.916 -9.976 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.421 -9.993 -3.713 1.00 0.00 H new ATOM 600 N GLU A 42 9.680 -7.525 -3.725 1.00 0.00 N ATOM 601 CA GLU A 42 9.966 -6.125 -3.807 1.00 0.00 C ATOM 602 C GLU A 42 8.786 -5.216 -3.843 1.00 0.00 C ATOM 603 O GLU A 42 8.718 -4.220 -3.125 1.00 0.00 O ATOM 604 CB GLU A 42 10.872 -5.842 -5.016 1.00 0.00 C ATOM 605 CG GLU A 42 12.364 -5.798 -4.677 1.00 0.00 C ATOM 606 CD GLU A 42 12.843 -7.041 -3.940 1.00 0.00 C ATOM 607 OE1 GLU A 42 13.167 -8.052 -4.618 1.00 0.00 O ATOM 608 OE2 GLU A 42 12.918 -7.011 -2.683 1.00 0.00 O ATOM 0 H GLU A 42 10.159 -8.058 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 42 10.468 -5.896 -2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.704 -6.610 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.582 -4.890 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.937 -5.685 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.566 -4.919 -4.065 1.00 0.00 H new ATOM 615 N ARG A 43 7.800 -5.543 -4.696 1.00 0.00 N ATOM 616 CA ARG A 43 6.560 -4.840 -4.813 1.00 0.00 C ATOM 617 C ARG A 43 5.422 -5.690 -4.361 1.00 0.00 C ATOM 618 O ARG A 43 4.295 -5.559 -4.835 1.00 0.00 O ATOM 619 CB ARG A 43 6.397 -4.305 -6.246 1.00 0.00 C ATOM 620 CG ARG A 43 6.610 -5.311 -7.379 1.00 0.00 C ATOM 621 CD ARG A 43 6.639 -4.636 -8.751 1.00 0.00 C ATOM 622 NE ARG A 43 6.793 -5.699 -9.783 1.00 0.00 N ATOM 623 CZ ARG A 43 6.697 -5.466 -11.125 1.00 0.00 C ATOM 624 NH1 ARG A 43 6.356 -4.241 -11.621 1.00 0.00 N ATOM 625 NH2 ARG A 43 6.955 -6.468 -12.014 1.00 0.00 N ATOM 0 H ARG A 43 7.870 -6.335 -5.335 1.00 0.00 H new ATOM 0 HA ARG A 43 6.563 -3.974 -4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.394 -3.889 -6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.098 -3.482 -6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.547 -5.844 -7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.813 -6.054 -7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.721 -4.073 -8.918 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.464 -3.926 -8.809 1.00 0.00 H new ATOM 0 HE ARG A 43 6.980 -6.652 -9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.165 -3.468 -10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.293 -4.099 -12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.220 -7.393 -11.677 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.883 -6.292 -13.016 1.00 0.00 H new ATOM 639 N CYS A 44 5.687 -6.579 -3.387 1.00 0.00 N ATOM 640 CA CYS A 44 4.773 -7.443 -2.706 1.00 0.00 C ATOM 641 C CYS A 44 3.895 -8.304 -3.545 1.00 0.00 C ATOM 642 O CYS A 44 2.711 -8.478 -3.258 1.00 0.00 O ATOM 643 CB CYS A 44 3.875 -6.716 -1.690 1.00 0.00 C ATOM 644 SG CYS A 44 4.738 -5.570 -0.577 1.00 0.00 S ATOM 0 H CYS A 44 6.639 -6.703 -3.043 1.00 0.00 H new ATOM 0 HA CYS A 44 5.481 -8.103 -2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.111 -6.162 -2.236 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.358 -7.462 -1.087 1.00 0.00 H new ATOM 649 N GLN A 45 4.417 -8.895 -4.634 1.00 0.00 N ATOM 650 CA GLN A 45 3.618 -9.620 -5.574 1.00 0.00 C ATOM 651 C GLN A 45 3.372 -11.045 -5.217 1.00 0.00 C ATOM 652 O GLN A 45 2.278 -11.555 -5.455 1.00 0.00 O ATOM 653 CB GLN A 45 4.148 -9.470 -7.010 1.00 0.00 C ATOM 654 CG GLN A 45 5.667 -9.536 -7.185 1.00 0.00 C ATOM 655 CD GLN A 45 6.091 -9.140 -8.592 1.00 0.00 C ATOM 656 OE1 GLN A 45 6.997 -8.333 -8.792 1.00 0.00 O ATOM 657 NE2 GLN A 45 5.414 -9.698 -9.632 1.00 0.00 N ATOM 0 H GLN A 45 5.410 -8.870 -4.867 1.00 0.00 H new ATOM 0 HA GLN A 45 2.636 -9.151 -5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.699 -10.251 -7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.800 -8.516 -7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.145 -8.876 -6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.014 -10.547 -6.972 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.664 -10.366 -9.453 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.656 -9.448 -10.591 1.00 0.00 H new ATOM 666 N TYR A 46 4.344 -11.765 -4.629 1.00 0.00 N ATOM 667 CA TYR A 46 4.237 -13.174 -4.412 1.00 0.00 C ATOM 668 C TYR A 46 3.526 -13.471 -3.137 1.00 0.00 C ATOM 669 O TYR A 46 3.420 -12.615 -2.260 1.00 0.00 O ATOM 670 CB TYR A 46 5.605 -13.875 -4.370 1.00 0.00 C ATOM 671 CG TYR A 46 6.568 -13.395 -5.401 1.00 0.00 C ATOM 672 CD1 TYR A 46 6.241 -13.305 -6.734 1.00 0.00 C ATOM 673 CD2 TYR A 46 7.839 -13.056 -5.001 1.00 0.00 C ATOM 674 CE1 TYR A 46 7.176 -12.900 -7.657 1.00 0.00 C ATOM 675 CE2 TYR A 46 8.777 -12.632 -5.912 1.00 0.00 C ATOM 676 CZ TYR A 46 8.443 -12.561 -7.244 1.00 0.00 C ATOM 677 OH TYR A 46 9.409 -12.145 -8.185 1.00 0.00 O ATOM 0 H TYR A 46 5.220 -11.361 -4.298 1.00 0.00 H new ATOM 0 HA TYR A 46 3.671 -13.558 -5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.045 -13.731 -3.383 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.456 -14.947 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.242 -13.555 -7.058 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.104 -13.124 -3.956 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.916 -12.848 -8.704 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.769 -12.357 -5.584 1.00 0.00 H new ATOM 0 HH TYR A 46 10.249 -11.943 -7.723 1.00 0.00 H new ATOM 687 N ARG A 47 3.005 -14.698 -2.954 1.00 0.00 N ATOM 688 CA ARG A 47 2.226 -15.034 -1.803 1.00 0.00 C ATOM 689 C ARG A 47 2.959 -15.908 -0.844 1.00 0.00 C ATOM 690 O ARG A 47 3.639 -16.863 -1.215 1.00 0.00 O ATOM 691 CB ARG A 47 0.884 -15.675 -2.194 1.00 0.00 C ATOM 692 CG ARG A 47 0.977 -16.920 -3.078 1.00 0.00 C ATOM 693 CD ARG A 47 -0.376 -17.593 -3.311 1.00 0.00 C ATOM 694 NE ARG A 47 -0.119 -18.782 -4.171 1.00 0.00 N ATOM 695 CZ ARG A 47 -0.403 -18.850 -5.505 1.00 0.00 C ATOM 696 NH1 ARG A 47 -1.003 -17.824 -6.174 1.00 0.00 N ATOM 697 NH2 ARG A 47 -0.066 -19.971 -6.208 1.00 0.00 N ATOM 0 H ARG A 47 3.126 -15.467 -3.613 1.00 0.00 H new ATOM 0 HA ARG A 47 2.025 -14.092 -1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.349 -15.939 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.283 -14.928 -2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.409 -16.644 -4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.657 -17.636 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.829 -17.890 -2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.071 -16.907 -3.796 1.00 0.00 H new ATOM 0 HE ARG A 47 0.298 -19.603 -3.733 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.255 -16.970 -5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.200 -17.911 -7.171 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.394 -20.750 -5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.275 -20.030 -7.205 1.00 0.00 H new ATOM 711 N ASP A 48 2.838 -15.618 0.464 1.00 0.00 N ATOM 712 CA ASP A 48 3.360 -16.409 1.536 1.00 0.00 C ATOM 713 C ASP A 48 2.222 -17.125 2.174 1.00 0.00 C ATOM 714 O ASP A 48 1.390 -16.534 2.862 1.00 0.00 O ATOM 715 CB ASP A 48 4.081 -15.462 2.510 1.00 0.00 C ATOM 716 CG ASP A 48 4.961 -16.157 3.540 1.00 0.00 C ATOM 717 OD1 ASP A 48 5.086 -17.410 3.534 1.00 0.00 O ATOM 718 OD2 ASP A 48 5.561 -15.419 4.366 1.00 0.00 O ATOM 0 H ASP A 48 2.349 -14.785 0.791 1.00 0.00 H new ATOM 0 HA ASP A 48 4.078 -17.156 1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.696 -14.770 1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.335 -14.865 3.034 1.00 0.00 H new ATOM 723 N LEU A 49 2.094 -18.444 1.941 1.00 0.00 N ATOM 724 CA LEU A 49 0.937 -19.197 2.312 1.00 0.00 C ATOM 725 C LEU A 49 1.012 -19.773 3.685 1.00 0.00 C ATOM 726 O LEU A 49 0.150 -20.528 4.131 1.00 0.00 O ATOM 727 CB LEU A 49 0.718 -20.286 1.248 1.00 0.00 C ATOM 728 CG LEU A 49 -0.698 -20.874 1.127 1.00 0.00 C ATOM 729 CD1 LEU A 49 -1.761 -19.820 0.773 1.00 0.00 C ATOM 730 CD2 LEU A 49 -0.708 -21.978 0.056 1.00 0.00 C ATOM 0 H LEU A 49 2.815 -19.001 1.482 1.00 0.00 H new ATOM 0 HA LEU A 49 0.083 -18.521 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.996 -19.872 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.407 -21.105 1.455 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.956 -21.278 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.738 -20.298 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.787 -19.055 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.512 -19.359 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.712 -22.394 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.408 -21.557 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.011 -22.767 0.340 1.00 0.00 H new ATOM 742 N LYS A 50 2.059 -19.432 4.457 1.00 0.00 N ATOM 743 CA LYS A 50 2.364 -20.049 5.711 1.00 0.00 C ATOM 744 C LYS A 50 1.498 -19.652 6.857 1.00 0.00 C ATOM 745 O LYS A 50 1.198 -20.478 7.718 1.00 0.00 O ATOM 746 CB LYS A 50 3.834 -19.809 6.090 1.00 0.00 C ATOM 747 CG LYS A 50 4.845 -20.313 5.058 1.00 0.00 C ATOM 748 CD LYS A 50 4.808 -21.822 4.803 1.00 0.00 C ATOM 749 CE LYS A 50 5.278 -22.670 5.986 1.00 0.00 C ATOM 750 NZ LYS A 50 5.314 -24.093 5.580 1.00 0.00 N ATOM 0 H LYS A 50 2.719 -18.698 4.198 1.00 0.00 H new ATOM 0 HA LYS A 50 2.163 -21.106 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.988 -18.740 6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.034 -20.296 7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.668 -19.795 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.847 -20.040 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.789 -22.111 4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.431 -22.048 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.267 -22.347 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.605 -22.538 6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.633 -24.675 6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.362 -24.395 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.972 -24.210 4.783 1.00 0.00 H new ATOM 764 N TRP A 51 1.062 -18.383 6.938 1.00 0.00 N ATOM 765 CA TRP A 51 0.371 -17.874 8.083 1.00 0.00 C ATOM 766 C TRP A 51 -1.065 -18.264 8.144 1.00 0.00 C ATOM 767 O TRP A 51 -1.650 -18.417 9.216 1.00 0.00 O ATOM 768 CB TRP A 51 0.532 -16.349 8.213 1.00 0.00 C ATOM 769 CG TRP A 51 -0.195 -15.449 7.245 1.00 0.00 C ATOM 770 CD1 TRP A 51 0.259 -14.872 6.095 1.00 0.00 C ATOM 771 CD2 TRP A 51 -1.533 -14.953 7.446 1.00 0.00 C ATOM 772 NE1 TRP A 51 -0.703 -14.054 5.562 1.00 0.00 N ATOM 773 CE2 TRP A 51 -1.813 -14.097 6.374 1.00 0.00 C ATOM 774 CE3 TRP A 51 -2.456 -15.165 8.433 1.00 0.00 C ATOM 775 CZ2 TRP A 51 -3.019 -13.460 6.284 1.00 0.00 C ATOM 776 CZ3 TRP A 51 -3.672 -14.533 8.320 1.00 0.00 C ATOM 777 CH2 TRP A 51 -3.952 -13.695 7.266 1.00 0.00 C ATOM 0 H TRP A 51 1.191 -17.697 6.195 1.00 0.00 H new ATOM 0 HA TRP A 51 0.849 -18.348 8.940 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.219 -16.070 9.219 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.596 -16.123 8.136 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.236 -15.036 5.666 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -0.611 -13.505 4.707 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -2.237 -15.807 9.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.233 -12.791 5.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.425 -14.699 9.077 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.918 -13.215 7.209 1.00 0.00 H new ATOM 788 N TRP A 52 -1.681 -18.456 6.964 1.00 0.00 N ATOM 789 CA TRP A 52 -3.022 -18.918 6.779 1.00 0.00 C ATOM 790 C TRP A 52 -3.240 -20.300 7.291 1.00 0.00 C ATOM 791 O TRP A 52 -4.227 -20.585 7.967 1.00 0.00 O ATOM 792 CB TRP A 52 -3.405 -18.906 5.289 1.00 0.00 C ATOM 793 CG TRP A 52 -3.301 -17.569 4.598 1.00 0.00 C ATOM 794 CD1 TRP A 52 -2.299 -17.104 3.795 1.00 0.00 C ATOM 795 CD2 TRP A 52 -4.318 -16.549 4.602 1.00 0.00 C ATOM 796 NE1 TRP A 52 -2.641 -15.889 3.265 1.00 0.00 N ATOM 797 CE2 TRP A 52 -3.871 -15.525 3.758 1.00 0.00 C ATOM 798 CE3 TRP A 52 -5.525 -16.458 5.240 1.00 0.00 C ATOM 799 CZ2 TRP A 52 -4.640 -14.414 3.540 1.00 0.00 C ATOM 800 CZ3 TRP A 52 -6.282 -15.330 5.026 1.00 0.00 C ATOM 801 CH2 TRP A 52 -5.849 -14.329 4.190 1.00 0.00 C ATOM 0 H TRP A 52 -1.209 -18.276 6.078 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.647 -18.231 7.350 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.768 -19.617 4.763 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.430 -19.265 5.193 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.370 -17.621 3.605 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.077 -15.344 2.613 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -5.872 -17.247 5.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -4.308 -13.628 2.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -7.235 -15.229 5.524 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.470 -13.458 4.040 1.00 0.00 H new ATOM 812 N GLU A 53 -2.297 -21.212 6.995 1.00 0.00 N ATOM 813 CA GLU A 53 -2.351 -22.595 7.357 1.00 0.00 C ATOM 814 C GLU A 53 -1.687 -22.847 8.667 1.00 0.00 C ATOM 815 O GLU A 53 -0.717 -23.593 8.794 1.00 0.00 O ATOM 816 CB GLU A 53 -1.749 -23.440 6.222 1.00 0.00 C ATOM 817 CG GLU A 53 -2.133 -24.920 6.274 1.00 0.00 C ATOM 818 CD GLU A 53 -1.758 -25.672 5.004 1.00 0.00 C ATOM 819 OE1 GLU A 53 -1.233 -25.055 4.039 1.00 0.00 O ATOM 820 OE2 GLU A 53 -2.012 -26.905 4.955 1.00 0.00 O ATOM 0 H GLU A 53 -1.452 -20.972 6.476 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.392 -22.890 7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.069 -23.026 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.663 -23.356 6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.641 -25.388 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.207 -25.006 6.438 1.00 0.00 H new ATOM 827 N LEU A 54 -2.203 -22.188 9.720 1.00 0.00 N ATOM 828 CA LEU A 54 -1.725 -22.295 11.064 1.00 0.00 C ATOM 829 C LEU A 54 -2.836 -21.820 11.990 1.00 0.00 C ATOM 830 O LEU A 54 -3.193 -20.612 11.972 1.00 0.00 O ATOM 831 CB LEU A 54 -0.443 -21.469 11.260 1.00 0.00 C ATOM 832 CG LEU A 54 0.146 -21.462 12.680 1.00 0.00 C ATOM 833 CD1 LEU A 54 0.508 -22.874 13.172 1.00 0.00 C ATOM 834 CD2 LEU A 54 1.391 -20.560 12.731 1.00 0.00 C ATOM 835 OXT LEU A 54 -3.384 -22.662 12.750 1.00 0.00 O ATOM 0 H LEU A 54 -2.993 -21.549 9.629 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.467 -23.329 11.292 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.316 -21.846 10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.651 -20.439 10.969 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.624 -21.071 13.345 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.920 -22.814 14.179 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.387 -23.496 13.182 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.248 -23.314 12.503 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.801 -20.562 13.741 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.141 -20.935 12.035 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.115 -19.543 12.453 1.00 0.00 H new