USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 Set 1.1: A 35 CYS SG : rot -97:sc= 0.241 USER MOD Set 1.2: A 71 THR OG1 : rot 132:sc= 1.37 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.013) USER MOD Single : A 11 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 13 THR OG1 : rot -160:sc= -0.0317 USER MOD Single : A 16 GLN : amide:sc=-0.00181 K(o=-0.0018,f=-1.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.235 X(o=0.24,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -130:sc= 1.09 (180deg=-0.032) USER MOD Single : A 29 GLN : amide:sc= -0.761 K(o=-0.76,f=-2.7!) USER MOD Single : A 37 SER OG : rot 150:sc=-5.89e-05 USER MOD Single : A 38 THR OG1 : rot -87:sc= 0.763 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -119:sc= -3.46 (180deg=-6.11!) USER MOD Single : A 47 MET CE :methyl -126:sc=-0.00413 (180deg=-0.0977) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.566 USER MOD Single : A 58 GLN : amide:sc= -0.595 X(o=-0.6,f=-0.11) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -81:sc= 0.637 USER MOD Single : A 80 MET CE :methyl 174:sc= -2.51 (180deg=-2.62) USER MOD Single : A 81 MET CE :methyl 158:sc= -0.194 (180deg=-0.601) USER MOD Single : A 84 CYS SG : rot 77:sc= 0.208 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.048 -2.078 -17.978 1.00 0.00 N ATOM 47 CA ILE A 4 8.279 -3.312 -17.765 1.00 0.00 C ATOM 48 C ILE A 4 6.821 -2.983 -17.430 1.00 0.00 C ATOM 49 O ILE A 4 5.921 -3.784 -17.686 1.00 0.00 O ATOM 50 CB ILE A 4 8.885 -4.184 -16.646 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.602 -3.572 -15.257 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.397 -4.336 -16.860 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.518 -2.371 -14.985 1.00 0.00 C ATOM 0 HA ILE A 4 8.321 -3.881 -18.694 1.00 0.00 H new ATOM 0 HB ILE A 4 8.418 -5.168 -16.686 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.560 -3.258 -15.200 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.750 -4.328 -14.486 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.817 -4.953 -16.066 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.582 -4.810 -17.824 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.868 -3.353 -16.843 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.296 -1.960 -14.000 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.559 -2.692 -15.018 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.350 -1.606 -15.743 1.00 0.00 H new ATOM 65 N TYR A 5 6.600 -1.788 -16.866 1.00 0.00 N ATOM 66 CA TYR A 5 5.249 -1.349 -16.510 1.00 0.00 C ATOM 67 C TYR A 5 4.451 -1.029 -17.775 1.00 0.00 C ATOM 68 O TYR A 5 3.232 -1.200 -17.815 1.00 0.00 O ATOM 69 CB TYR A 5 5.292 -0.093 -15.625 1.00 0.00 C ATOM 70 CG TYR A 5 6.322 -0.255 -14.527 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.437 -1.469 -13.839 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.163 0.813 -14.201 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.388 -1.613 -12.828 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.117 0.668 -13.189 1.00 0.00 C ATOM 75 CZ TYR A 5 8.231 -0.545 -12.502 1.00 0.00 C ATOM 76 OH TYR A 5 9.173 -0.688 -11.503 1.00 0.00 O ATOM 0 H TYR A 5 7.335 -1.114 -16.649 1.00 0.00 H new ATOM 0 HA TYR A 5 4.771 -2.159 -15.959 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.533 0.779 -16.232 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.310 0.085 -15.187 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.789 -2.295 -14.091 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.076 1.750 -14.731 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.473 -2.549 -12.297 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.766 1.493 -12.938 1.00 0.00 H new ATOM 0 HH TYR A 5 9.675 0.148 -11.405 1.00 0.00 H new ATOM 86 N LYS A 6 5.163 -0.566 -18.809 1.00 0.00 N ATOM 87 CA LYS A 6 4.527 -0.226 -20.087 1.00 0.00 C ATOM 88 C LYS A 6 4.183 -1.496 -20.855 1.00 0.00 C ATOM 89 O LYS A 6 3.134 -1.589 -21.492 1.00 0.00 O ATOM 90 CB LYS A 6 5.456 0.644 -20.951 1.00 0.00 C ATOM 91 CG LYS A 6 6.114 1.736 -20.096 1.00 0.00 C ATOM 92 CD LYS A 6 5.066 2.398 -19.195 1.00 0.00 C ATOM 93 CE LYS A 6 5.762 3.137 -18.048 1.00 0.00 C ATOM 94 NZ LYS A 6 6.517 4.308 -18.583 1.00 0.00 N ATOM 0 H LYS A 6 6.172 -0.419 -18.787 1.00 0.00 H new ATOM 0 HA LYS A 6 3.618 0.334 -19.869 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.223 0.022 -21.411 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.888 1.101 -21.761 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.908 1.304 -19.487 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.577 2.484 -20.740 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.462 3.095 -19.776 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.388 1.644 -18.796 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.024 3.471 -17.318 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.442 2.462 -17.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.931 4.844 -17.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.276 3.974 -19.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.871 4.923 -19.118 1.00 0.00 H new ATOM 108 N ALA A 7 5.081 -2.476 -20.775 1.00 0.00 N ATOM 109 CA ALA A 7 4.871 -3.757 -21.450 1.00 0.00 C ATOM 110 C ALA A 7 3.793 -4.573 -20.728 1.00 0.00 C ATOM 111 O ALA A 7 3.068 -5.352 -21.351 1.00 0.00 O ATOM 112 CB ALA A 7 6.171 -4.563 -21.483 1.00 0.00 C ATOM 0 H ALA A 7 5.955 -2.410 -20.254 1.00 0.00 H new ATOM 0 HA ALA A 7 4.546 -3.551 -22.470 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.997 -5.513 -21.988 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.934 -4.000 -22.020 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.509 -4.751 -20.464 1.00 0.00 H new ATOM 118 N ALA A 8 3.699 -4.385 -19.405 1.00 0.00 N ATOM 119 CA ALA A 8 2.714 -5.105 -18.597 1.00 0.00 C ATOM 120 C ALA A 8 1.346 -4.412 -18.618 1.00 0.00 C ATOM 121 O ALA A 8 0.322 -5.060 -18.394 1.00 0.00 O ATOM 122 CB ALA A 8 3.190 -5.215 -17.146 1.00 0.00 C ATOM 0 H ALA A 8 4.291 -3.744 -18.877 1.00 0.00 H new ATOM 0 HA ALA A 8 2.609 -6.099 -19.032 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.446 -5.753 -16.559 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.137 -5.754 -17.114 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.327 -4.216 -16.731 1.00 0.00 H new ATOM 128 N VAL A 9 1.329 -3.095 -18.884 1.00 0.00 N ATOM 129 CA VAL A 9 0.064 -2.344 -18.922 1.00 0.00 C ATOM 130 C VAL A 9 -0.905 -2.945 -19.953 1.00 0.00 C ATOM 131 O VAL A 9 -2.122 -2.920 -19.759 1.00 0.00 O ATOM 132 CB VAL A 9 0.316 -0.857 -19.240 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.430 -0.636 -20.753 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.846 -0.021 -18.695 1.00 0.00 C ATOM 0 H VAL A 9 2.162 -2.537 -19.073 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.392 -2.418 -17.935 1.00 0.00 H new ATOM 0 HB VAL A 9 1.252 -0.554 -18.771 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.608 0.420 -20.954 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.259 -1.225 -21.145 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.496 -0.947 -21.237 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.672 1.032 -18.917 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.776 -0.342 -19.163 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.917 -0.157 -17.616 1.00 0.00 H new ATOM 144 N GLU A 10 -0.349 -3.492 -21.042 1.00 0.00 N ATOM 145 CA GLU A 10 -1.169 -4.105 -22.092 1.00 0.00 C ATOM 146 C GLU A 10 -1.843 -5.386 -21.586 1.00 0.00 C ATOM 147 O GLU A 10 -2.890 -5.790 -22.098 1.00 0.00 O ATOM 148 CB GLU A 10 -0.311 -4.447 -23.313 1.00 0.00 C ATOM 149 CG GLU A 10 0.095 -3.159 -24.036 1.00 0.00 C ATOM 150 CD GLU A 10 1.478 -3.334 -24.657 1.00 0.00 C ATOM 151 OE1 GLU A 10 1.544 -3.773 -25.793 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.450 -3.027 -23.989 1.00 0.00 O ATOM 0 H GLU A 10 0.655 -3.522 -21.217 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.936 -3.383 -22.372 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.578 -4.997 -23.003 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.867 -5.096 -23.990 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.634 -2.919 -24.810 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.103 -2.324 -23.336 1.00 0.00 H new ATOM 159 N GLN A 11 -1.235 -6.020 -20.575 1.00 0.00 N ATOM 160 CA GLN A 11 -1.785 -7.253 -20.006 1.00 0.00 C ATOM 161 C GLN A 11 -2.931 -6.936 -19.045 1.00 0.00 C ATOM 162 O GLN A 11 -3.939 -7.643 -19.010 1.00 0.00 O ATOM 163 CB GLN A 11 -0.703 -8.033 -19.250 1.00 0.00 C ATOM 164 CG GLN A 11 0.478 -8.322 -20.182 1.00 0.00 C ATOM 165 CD GLN A 11 1.479 -9.231 -19.472 1.00 0.00 C ATOM 166 OE1 GLN A 11 1.661 -10.384 -19.863 1.00 0.00 O ATOM 167 NE2 GLN A 11 2.146 -8.779 -18.444 1.00 0.00 N ATOM 0 H GLN A 11 -0.370 -5.702 -20.139 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.158 -7.860 -20.831 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.365 -7.459 -18.387 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.115 -8.968 -18.870 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.125 -8.798 -21.097 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.961 -7.389 -20.474 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.996 -7.824 -18.119 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.817 -9.381 -17.966 1.00 0.00 H new ATOM 176 N LEU A 12 -2.760 -5.864 -18.263 1.00 0.00 N ATOM 177 CA LEU A 12 -3.781 -5.451 -17.299 1.00 0.00 C ATOM 178 C LEU A 12 -5.082 -5.078 -18.008 1.00 0.00 C ATOM 179 O LEU A 12 -5.072 -4.531 -19.114 1.00 0.00 O ATOM 180 CB LEU A 12 -3.297 -4.248 -16.488 1.00 0.00 C ATOM 181 CG LEU A 12 -2.138 -4.538 -15.530 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.994 -3.563 -15.804 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.615 -4.376 -14.084 1.00 0.00 C ATOM 0 H LEU A 12 -1.930 -5.272 -18.280 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.964 -6.294 -16.632 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.990 -3.463 -17.179 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.135 -3.856 -15.912 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.788 -5.559 -15.683 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.169 -3.769 -15.122 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.653 -3.682 -16.832 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.343 -2.541 -15.653 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.789 -4.583 -13.403 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.967 -3.356 -13.929 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.429 -5.074 -13.889 1.00 0.00 H new ATOM 195 N THR A 13 -6.199 -5.385 -17.351 1.00 0.00 N ATOM 196 CA THR A 13 -7.522 -5.088 -17.906 1.00 0.00 C ATOM 197 C THR A 13 -8.132 -3.866 -17.224 1.00 0.00 C ATOM 198 O THR A 13 -7.622 -3.380 -16.210 1.00 0.00 O ATOM 199 CB THR A 13 -8.470 -6.288 -17.730 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.025 -7.106 -16.653 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.498 -7.113 -19.017 1.00 0.00 C ATOM 0 H THR A 13 -6.217 -5.838 -16.437 1.00 0.00 H new ATOM 0 HA THR A 13 -7.395 -4.882 -18.969 1.00 0.00 H new ATOM 0 HB THR A 13 -9.472 -5.920 -17.510 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.416 -8.001 -16.739 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.170 -7.962 -18.890 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.850 -6.491 -19.840 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.494 -7.475 -19.239 1.00 0.00 H new ATOM 209 N ASP A 14 -9.241 -3.382 -17.789 1.00 0.00 N ATOM 210 CA ASP A 14 -9.936 -2.219 -17.231 1.00 0.00 C ATOM 211 C ASP A 14 -10.521 -2.560 -15.862 1.00 0.00 C ATOM 212 O ASP A 14 -10.613 -1.703 -14.984 1.00 0.00 O ATOM 213 CB ASP A 14 -11.073 -1.775 -18.155 1.00 0.00 C ATOM 214 CG ASP A 14 -10.499 -1.015 -19.347 1.00 0.00 C ATOM 215 OD1 ASP A 14 -10.218 0.161 -19.196 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.347 -1.622 -20.394 1.00 0.00 O ATOM 0 H ASP A 14 -9.674 -3.773 -18.625 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.212 -1.411 -17.133 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.634 -2.643 -18.501 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.772 -1.141 -17.609 1.00 0.00 H new ATOM 221 N GLU A 15 -10.910 -3.829 -15.696 1.00 0.00 N ATOM 222 CA GLU A 15 -11.482 -4.300 -14.433 1.00 0.00 C ATOM 223 C GLU A 15 -10.486 -4.129 -13.282 1.00 0.00 C ATOM 224 O GLU A 15 -10.860 -3.734 -12.177 1.00 0.00 O ATOM 225 CB GLU A 15 -11.888 -5.775 -14.556 1.00 0.00 C ATOM 226 CG GLU A 15 -10.647 -6.668 -14.665 1.00 0.00 C ATOM 227 CD GLU A 15 -11.037 -8.018 -15.259 1.00 0.00 C ATOM 228 OE1 GLU A 15 -11.461 -8.876 -14.504 1.00 0.00 O ATOM 229 OE2 GLU A 15 -10.902 -8.177 -16.460 1.00 0.00 O ATOM 0 H GLU A 15 -10.839 -4.545 -16.419 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.365 -3.700 -14.215 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.479 -6.069 -13.689 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.520 -5.912 -15.434 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.895 -6.188 -15.291 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.200 -6.808 -13.681 1.00 0.00 H new ATOM 236 N GLN A 16 -9.214 -4.427 -13.561 1.00 0.00 N ATOM 237 CA GLN A 16 -8.156 -4.301 -12.552 1.00 0.00 C ATOM 238 C GLN A 16 -7.975 -2.838 -12.152 1.00 0.00 C ATOM 239 O GLN A 16 -7.894 -2.516 -10.966 1.00 0.00 O ATOM 240 CB GLN A 16 -6.825 -4.844 -13.088 1.00 0.00 C ATOM 241 CG GLN A 16 -6.942 -6.352 -13.335 1.00 0.00 C ATOM 242 CD GLN A 16 -6.508 -7.115 -12.087 1.00 0.00 C ATOM 243 OE1 GLN A 16 -7.058 -6.912 -11.003 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.546 -7.995 -12.174 1.00 0.00 N ATOM 0 H GLN A 16 -8.892 -4.755 -14.471 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.454 -4.884 -11.680 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.560 -4.334 -14.014 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.026 -4.644 -12.374 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.970 -6.609 -13.591 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.321 -6.640 -14.183 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.089 -8.165 -13.070 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.252 -8.512 -11.346 1.00 0.00 H new ATOM 253 N LYS A 17 -7.929 -1.957 -13.157 1.00 0.00 N ATOM 254 CA LYS A 17 -7.775 -0.525 -12.897 1.00 0.00 C ATOM 255 C LYS A 17 -9.049 0.049 -12.267 1.00 0.00 C ATOM 256 O LYS A 17 -8.997 1.052 -11.558 1.00 0.00 O ATOM 257 CB LYS A 17 -7.461 0.232 -14.189 1.00 0.00 C ATOM 258 CG LYS A 17 -5.943 0.386 -14.332 1.00 0.00 C ATOM 259 CD LYS A 17 -5.390 -0.745 -15.207 1.00 0.00 C ATOM 260 CE LYS A 17 -5.489 -0.350 -16.685 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.255 0.385 -17.092 1.00 0.00 N ATOM 0 H LYS A 17 -7.995 -2.207 -14.144 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.944 -0.401 -12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.865 -0.306 -15.046 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.937 1.212 -14.174 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.706 1.352 -14.777 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.471 0.363 -13.350 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.352 -0.947 -14.943 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.949 -1.663 -15.028 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.614 -1.240 -17.302 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.367 0.276 -16.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.325 0.652 -18.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.154 1.242 -16.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.425 -0.226 -16.953 1.00 0.00 H new ATOM 275 N ASN A 18 -10.190 -0.608 -12.519 1.00 0.00 N ATOM 276 CA ASN A 18 -11.467 -0.163 -11.952 1.00 0.00 C ATOM 277 C ASN A 18 -11.451 -0.353 -10.436 1.00 0.00 C ATOM 278 O ASN A 18 -11.823 0.548 -9.683 1.00 0.00 O ATOM 279 CB ASN A 18 -12.634 -0.958 -12.549 1.00 0.00 C ATOM 280 CG ASN A 18 -13.442 -0.059 -13.482 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.532 0.392 -13.129 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.968 0.233 -14.663 1.00 0.00 N ATOM 0 H ASN A 18 -10.253 -1.440 -13.105 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.601 0.892 -12.193 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.257 -1.822 -13.096 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.272 -1.340 -11.752 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.501 0.834 -15.292 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.065 -0.140 -14.957 1.00 0.00 H new ATOM 289 N GLU A 19 -10.992 -1.533 -10.000 1.00 0.00 N ATOM 290 CA GLU A 19 -10.900 -1.834 -8.568 1.00 0.00 C ATOM 291 C GLU A 19 -9.839 -0.949 -7.926 1.00 0.00 C ATOM 292 O GLU A 19 -10.043 -0.394 -6.847 1.00 0.00 O ATOM 293 CB GLU A 19 -10.516 -3.300 -8.335 1.00 0.00 C ATOM 294 CG GLU A 19 -11.565 -4.217 -8.966 1.00 0.00 C ATOM 295 CD GLU A 19 -11.342 -5.649 -8.488 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.878 -5.996 -7.448 1.00 0.00 O ATOM 297 OE2 GLU A 19 -10.638 -6.377 -9.169 1.00 0.00 O ATOM 0 H GLU A 19 -10.682 -2.287 -10.612 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.877 -1.646 -8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.536 -3.502 -8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.440 -3.500 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.566 -3.883 -8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.498 -4.170 -10.053 1.00 0.00 H new ATOM 304 N PHE A 20 -8.700 -0.827 -8.616 1.00 0.00 N ATOM 305 CA PHE A 20 -7.589 -0.007 -8.129 1.00 0.00 C ATOM 306 C PHE A 20 -8.000 1.463 -8.013 1.00 0.00 C ATOM 307 O PHE A 20 -7.663 2.132 -7.036 1.00 0.00 O ATOM 308 CB PHE A 20 -6.393 -0.117 -9.083 1.00 0.00 C ATOM 309 CG PHE A 20 -5.539 -1.313 -8.718 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.079 -2.379 -7.981 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.202 -1.351 -9.120 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.279 -3.475 -7.649 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.401 -2.448 -8.788 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.939 -3.511 -8.052 1.00 0.00 C ATOM 0 H PHE A 20 -8.525 -1.285 -9.511 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.311 -0.376 -7.142 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.746 -0.213 -10.110 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.796 0.793 -9.035 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.113 -2.352 -7.671 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.786 -0.532 -9.688 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.694 -4.295 -7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.367 -2.475 -9.099 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.320 -4.358 -7.795 1.00 0.00 H new ATOM 324 N LYS A 21 -8.733 1.951 -9.019 1.00 0.00 N ATOM 325 CA LYS A 21 -9.190 3.344 -9.023 1.00 0.00 C ATOM 326 C LYS A 21 -10.208 3.578 -7.907 1.00 0.00 C ATOM 327 O LYS A 21 -10.147 4.586 -7.205 1.00 0.00 O ATOM 328 CB LYS A 21 -9.826 3.701 -10.374 1.00 0.00 C ATOM 329 CG LYS A 21 -10.194 5.191 -10.407 1.00 0.00 C ATOM 330 CD LYS A 21 -8.937 6.050 -10.217 1.00 0.00 C ATOM 331 CE LYS A 21 -8.082 6.006 -11.486 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.011 7.039 -11.401 1.00 0.00 N ATOM 0 H LYS A 21 -9.020 1.408 -9.833 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.322 3.982 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.132 3.472 -11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.717 3.095 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.670 5.435 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.917 5.412 -9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.219 7.079 -9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.361 5.685 -9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.639 5.017 -11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.705 6.184 -12.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.005 7.606 -12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.191 7.660 -10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.088 6.574 -11.284 1.00 0.00 H new ATOM 346 N ALA A 22 -11.139 2.632 -7.748 1.00 0.00 N ATOM 347 CA ALA A 22 -12.159 2.743 -6.703 1.00 0.00 C ATOM 348 C ALA A 22 -11.514 2.646 -5.320 1.00 0.00 C ATOM 349 O ALA A 22 -11.812 3.441 -4.430 1.00 0.00 O ATOM 350 CB ALA A 22 -13.203 1.633 -6.847 1.00 0.00 C ATOM 0 H ALA A 22 -11.207 1.791 -8.322 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.648 3.711 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.952 1.733 -6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.686 1.712 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.716 0.662 -6.762 1.00 0.00 H new ATOM 356 N ALA A 23 -10.614 1.669 -5.163 1.00 0.00 N ATOM 357 CA ALA A 23 -9.907 1.472 -3.894 1.00 0.00 C ATOM 358 C ALA A 23 -9.037 2.690 -3.557 1.00 0.00 C ATOM 359 O ALA A 23 -8.741 2.949 -2.391 1.00 0.00 O ATOM 360 CB ALA A 23 -9.013 0.230 -3.964 1.00 0.00 C ATOM 0 H ALA A 23 -10.359 1.006 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.659 1.340 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.496 0.100 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.626 -0.648 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.280 0.354 -4.761 1.00 0.00 H new ATOM 366 N PHE A 24 -8.638 3.433 -4.595 1.00 0.00 N ATOM 367 CA PHE A 24 -7.812 4.622 -4.406 1.00 0.00 C ATOM 368 C PHE A 24 -8.692 5.835 -4.088 1.00 0.00 C ATOM 369 O PHE A 24 -8.482 6.517 -3.089 1.00 0.00 O ATOM 370 CB PHE A 24 -7.004 4.907 -5.682 1.00 0.00 C ATOM 371 CG PHE A 24 -5.772 5.722 -5.356 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.572 5.079 -5.030 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.826 7.121 -5.395 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.429 5.832 -4.739 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.683 7.875 -5.102 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.486 7.231 -4.775 1.00 0.00 C ATOM 0 H PHE A 24 -8.874 3.231 -5.567 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.132 4.442 -3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.712 3.968 -6.153 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.624 5.444 -6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.528 4.000 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.750 7.619 -5.651 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.504 5.335 -4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.726 8.954 -5.129 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.604 7.813 -4.550 1.00 0.00 H new ATOM 386 N ASP A 25 -9.670 6.092 -4.965 1.00 0.00 N ATOM 387 CA ASP A 25 -10.578 7.236 -4.807 1.00 0.00 C ATOM 388 C ASP A 25 -11.304 7.240 -3.458 1.00 0.00 C ATOM 389 O ASP A 25 -11.494 8.303 -2.866 1.00 0.00 O ATOM 390 CB ASP A 25 -11.623 7.248 -5.927 1.00 0.00 C ATOM 391 CG ASP A 25 -11.101 8.066 -7.103 1.00 0.00 C ATOM 392 OD1 ASP A 25 -10.304 7.537 -7.860 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.504 9.210 -7.230 1.00 0.00 O ATOM 0 H ASP A 25 -9.853 5.523 -5.792 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.953 8.128 -4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.840 6.229 -6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.558 7.673 -5.562 1.00 0.00 H new ATOM 398 N ILE A 26 -11.715 6.060 -2.974 1.00 0.00 N ATOM 399 CA ILE A 26 -12.422 5.983 -1.686 1.00 0.00 C ATOM 400 C ILE A 26 -11.601 6.652 -0.579 1.00 0.00 C ATOM 401 O ILE A 26 -12.152 7.305 0.308 1.00 0.00 O ATOM 402 CB ILE A 26 -12.720 4.528 -1.295 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.427 3.703 -1.325 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.738 3.938 -2.276 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.723 2.257 -0.927 1.00 0.00 C ATOM 0 H ILE A 26 -11.575 5.164 -3.441 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.369 6.511 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.131 4.501 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.990 3.732 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.694 4.134 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.952 2.905 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.658 4.521 -2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.329 3.968 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.800 1.677 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.140 2.235 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.440 1.827 -1.626 1.00 0.00 H new ATOM 417 N PHE A 27 -10.275 6.495 -0.656 1.00 0.00 N ATOM 418 CA PHE A 27 -9.379 7.103 0.328 1.00 0.00 C ATOM 419 C PHE A 27 -9.049 8.547 -0.068 1.00 0.00 C ATOM 420 O PHE A 27 -8.825 9.398 0.794 1.00 0.00 O ATOM 421 CB PHE A 27 -8.077 6.300 0.441 1.00 0.00 C ATOM 422 CG PHE A 27 -8.280 5.143 1.393 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.739 3.911 0.910 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.012 5.303 2.759 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.931 2.840 1.792 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.202 4.232 3.640 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.662 3.001 3.157 1.00 0.00 C ATOM 0 H PHE A 27 -9.804 5.957 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.887 7.100 1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.779 5.930 -0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.271 6.942 0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.945 3.787 -0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.659 6.253 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.286 1.891 1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.994 4.355 4.693 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.809 2.175 3.837 1.00 0.00 H new ATOM 437 N ILE A 28 -9.030 8.814 -1.383 1.00 0.00 N ATOM 438 CA ILE A 28 -8.734 10.161 -1.888 1.00 0.00 C ATOM 439 C ILE A 28 -10.032 10.952 -2.114 1.00 0.00 C ATOM 440 O ILE A 28 -10.145 11.732 -3.064 1.00 0.00 O ATOM 441 CB ILE A 28 -7.950 10.089 -3.213 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.821 9.054 -3.122 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.337 11.452 -3.538 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.172 9.079 -1.735 1.00 0.00 C ATOM 0 H ILE A 28 -9.214 8.121 -2.109 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.126 10.669 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.648 9.796 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.216 8.059 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.070 9.261 -3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.786 11.389 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.130 12.194 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.658 11.746 -2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.374 8.337 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.757 10.069 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.922 8.848 -0.978 1.00 0.00 H new ATOM 456 N GLN A 29 -11.008 10.751 -1.224 1.00 0.00 N ATOM 457 CA GLN A 29 -12.288 11.459 -1.332 1.00 0.00 C ATOM 458 C GLN A 29 -12.100 12.953 -1.039 1.00 0.00 C ATOM 459 O GLN A 29 -12.831 13.794 -1.566 1.00 0.00 O ATOM 460 CB GLN A 29 -13.330 10.872 -0.366 1.00 0.00 C ATOM 461 CG GLN A 29 -12.782 10.853 1.067 1.00 0.00 C ATOM 462 CD GLN A 29 -13.645 11.736 1.967 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.088 12.811 1.559 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.914 11.344 3.183 1.00 0.00 N ATOM 0 H GLN A 29 -10.939 10.113 -0.431 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.651 11.334 -2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.244 11.464 -0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.592 9.860 -0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.771 9.832 1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.751 11.207 1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.549 10.455 3.525 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.489 11.927 3.791 1.00 0.00 H new ATOM 473 N ASP A 30 -11.105 13.271 -0.199 1.00 0.00 N ATOM 474 CA ASP A 30 -10.818 14.661 0.151 1.00 0.00 C ATOM 475 C ASP A 30 -9.358 14.811 0.605 1.00 0.00 C ATOM 476 O ASP A 30 -9.065 15.483 1.599 1.00 0.00 O ATOM 477 CB ASP A 30 -11.757 15.136 1.268 1.00 0.00 C ATOM 478 CG ASP A 30 -11.997 16.638 1.134 1.00 0.00 C ATOM 479 OD1 ASP A 30 -12.814 17.015 0.309 1.00 0.00 O ATOM 480 OD2 ASP A 30 -11.363 17.387 1.858 1.00 0.00 O ATOM 0 H ASP A 30 -10.492 12.587 0.245 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.979 15.275 -0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.705 14.600 1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.321 14.913 2.242 1.00 0.00 H new ATOM 485 N ALA A 31 -8.443 14.175 -0.137 1.00 0.00 N ATOM 486 CA ALA A 31 -7.019 14.240 0.190 1.00 0.00 C ATOM 487 C ALA A 31 -6.442 15.610 -0.169 1.00 0.00 C ATOM 488 O ALA A 31 -6.932 16.291 -1.073 1.00 0.00 O ATOM 489 CB ALA A 31 -6.245 13.162 -0.571 1.00 0.00 C ATOM 0 H ALA A 31 -8.664 13.615 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.918 14.075 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.187 13.225 -0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.626 12.178 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.369 13.314 -1.643 1.00 0.00 H new ATOM 495 N GLU A 32 -5.389 15.998 0.551 1.00 0.00 N ATOM 496 CA GLU A 32 -4.734 17.288 0.313 1.00 0.00 C ATOM 497 C GLU A 32 -3.926 17.249 -0.984 1.00 0.00 C ATOM 498 O GLU A 32 -4.026 18.151 -1.818 1.00 0.00 O ATOM 499 CB GLU A 32 -3.798 17.641 1.474 1.00 0.00 C ATOM 500 CG GLU A 32 -4.604 18.272 2.614 1.00 0.00 C ATOM 501 CD GLU A 32 -4.603 19.790 2.465 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.670 20.413 2.942 1.00 0.00 O ATOM 503 OE2 GLU A 32 -5.536 20.309 1.874 1.00 0.00 O ATOM 0 H GLU A 32 -4.973 15.443 1.299 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.512 18.047 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.289 16.745 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.027 18.333 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.627 17.896 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.174 17.991 3.575 1.00 0.00 H new ATOM 510 N ASP A 33 -3.127 16.192 -1.140 1.00 0.00 N ATOM 511 CA ASP A 33 -2.299 16.029 -2.337 1.00 0.00 C ATOM 512 C ASP A 33 -2.998 15.133 -3.361 1.00 0.00 C ATOM 513 O ASP A 33 -2.954 15.396 -4.565 1.00 0.00 O ATOM 514 CB ASP A 33 -0.945 15.410 -1.969 1.00 0.00 C ATOM 515 CG ASP A 33 -0.002 15.474 -3.169 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.664 16.483 -3.321 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.041 14.512 -3.918 1.00 0.00 O ATOM 0 H ASP A 33 -3.036 15.440 -0.457 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.142 17.016 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.509 15.943 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.081 14.375 -1.657 1.00 0.00 H new ATOM 522 N GLY A 34 -3.636 14.067 -2.869 1.00 0.00 N ATOM 523 CA GLY A 34 -4.338 13.125 -3.743 1.00 0.00 C ATOM 524 C GLY A 34 -3.651 11.760 -3.727 1.00 0.00 C ATOM 525 O GLY A 34 -3.378 11.176 -4.778 1.00 0.00 O ATOM 0 H GLY A 34 -3.681 13.836 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.373 13.021 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.362 13.514 -4.761 1.00 0.00 H new ATOM 529 N CYS A 35 -3.373 11.262 -2.519 1.00 0.00 N ATOM 530 CA CYS A 35 -2.712 9.964 -2.358 1.00 0.00 C ATOM 531 C CYS A 35 -3.028 9.367 -0.988 1.00 0.00 C ATOM 532 O CYS A 35 -3.598 10.033 -0.120 1.00 0.00 O ATOM 533 CB CYS A 35 -1.189 10.096 -2.502 1.00 0.00 C ATOM 534 SG CYS A 35 -0.670 11.793 -2.134 1.00 0.00 S ATOM 0 H CYS A 35 -3.594 11.735 -1.643 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.090 9.307 -3.142 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.691 9.401 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.887 9.827 -3.514 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.530 12.454 -3.244 1.00 0.00 H new ATOM 540 N ILE A 36 -2.640 8.105 -0.801 1.00 0.00 N ATOM 541 CA ILE A 36 -2.875 7.421 0.472 1.00 0.00 C ATOM 542 C ILE A 36 -1.581 7.385 1.288 1.00 0.00 C ATOM 543 O ILE A 36 -0.565 7.944 0.878 1.00 0.00 O ATOM 544 CB ILE A 36 -3.388 5.990 0.239 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.437 5.237 -0.701 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.784 6.042 -0.387 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.919 3.979 -0.004 1.00 0.00 C ATOM 0 H ILE A 36 -2.167 7.540 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.636 7.972 1.024 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.433 5.469 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.956 4.968 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.602 5.879 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.147 5.027 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.464 6.566 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.736 6.569 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.244 3.445 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.385 4.260 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.759 3.334 0.254 1.00 0.00 H new ATOM 559 N SER A 37 -1.623 6.727 2.447 1.00 0.00 N ATOM 560 CA SER A 37 -0.442 6.635 3.300 1.00 0.00 C ATOM 561 C SER A 37 0.330 5.353 3.003 1.00 0.00 C ATOM 562 O SER A 37 -0.261 4.291 2.794 1.00 0.00 O ATOM 563 CB SER A 37 -0.837 6.653 4.778 1.00 0.00 C ATOM 564 OG SER A 37 0.197 7.272 5.533 1.00 0.00 O ATOM 0 H SER A 37 -2.451 6.256 2.812 1.00 0.00 H new ATOM 0 HA SER A 37 0.190 7.497 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.773 7.195 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.004 5.636 5.134 1.00 0.00 H new ATOM 0 HG SER A 37 -0.190 7.715 6.317 1.00 0.00 H new ATOM 570 N THR A 38 1.658 5.466 2.998 1.00 0.00 N ATOM 571 CA THR A 38 2.522 4.307 2.738 1.00 0.00 C ATOM 572 C THR A 38 2.226 3.189 3.740 1.00 0.00 C ATOM 573 O THR A 38 2.135 2.018 3.370 1.00 0.00 O ATOM 574 CB THR A 38 4.003 4.695 2.838 1.00 0.00 C ATOM 575 OG1 THR A 38 4.212 5.495 3.996 1.00 0.00 O ATOM 576 CG2 THR A 38 4.407 5.482 1.591 1.00 0.00 C ATOM 0 H THR A 38 2.159 6.338 3.169 1.00 0.00 H new ATOM 0 HA THR A 38 2.315 3.956 1.727 1.00 0.00 H new ATOM 0 HB THR A 38 4.610 3.793 2.911 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.041 6.435 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.459 5.759 1.660 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.251 4.866 0.706 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.799 6.384 1.517 1.00 0.00 H new ATOM 584 N LYS A 39 2.065 3.569 5.011 1.00 0.00 N ATOM 585 CA LYS A 39 1.765 2.600 6.066 1.00 0.00 C ATOM 586 C LYS A 39 0.318 2.090 5.961 1.00 0.00 C ATOM 587 O LYS A 39 -0.014 1.033 6.502 1.00 0.00 O ATOM 588 CB LYS A 39 1.986 3.231 7.448 1.00 0.00 C ATOM 589 CG LYS A 39 0.969 4.356 7.690 1.00 0.00 C ATOM 590 CD LYS A 39 1.708 5.667 7.976 1.00 0.00 C ATOM 591 CE LYS A 39 2.233 5.660 9.415 1.00 0.00 C ATOM 592 NZ LYS A 39 2.874 6.972 9.719 1.00 0.00 N ATOM 0 H LYS A 39 2.137 4.535 5.332 1.00 0.00 H new ATOM 0 HA LYS A 39 2.440 1.754 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.888 2.470 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.999 3.627 7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.326 4.472 6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.323 4.101 8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.536 5.789 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.038 6.514 7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.415 5.474 10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.953 4.853 9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.230 6.966 10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.665 7.132 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.174 7.734 9.610 1.00 0.00 H new ATOM 606 N GLU A 40 -0.538 2.848 5.259 1.00 0.00 N ATOM 607 CA GLU A 40 -1.942 2.457 5.093 1.00 0.00 C ATOM 608 C GLU A 40 -2.161 1.665 3.797 1.00 0.00 C ATOM 609 O GLU A 40 -3.304 1.409 3.411 1.00 0.00 O ATOM 610 CB GLU A 40 -2.844 3.697 5.075 1.00 0.00 C ATOM 611 CG GLU A 40 -3.252 4.060 6.505 1.00 0.00 C ATOM 612 CD GLU A 40 -4.382 3.138 6.965 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.523 3.421 6.639 1.00 0.00 O ATOM 614 OE2 GLU A 40 -4.087 2.162 7.636 1.00 0.00 O ATOM 0 H GLU A 40 -0.285 3.725 4.803 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.200 1.820 5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.319 4.533 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.731 3.504 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.396 3.965 7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.577 5.100 6.549 1.00 0.00 H new ATOM 621 N LEU A 41 -1.067 1.265 3.131 1.00 0.00 N ATOM 622 CA LEU A 41 -1.184 0.492 1.891 1.00 0.00 C ATOM 623 C LEU A 41 -1.810 -0.871 2.177 1.00 0.00 C ATOM 624 O LEU A 41 -2.632 -1.364 1.405 1.00 0.00 O ATOM 625 CB LEU A 41 0.183 0.286 1.237 1.00 0.00 C ATOM 626 CG LEU A 41 0.263 0.729 -0.223 1.00 0.00 C ATOM 627 CD1 LEU A 41 1.656 0.432 -0.781 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.790 -0.024 -1.043 1.00 0.00 C ATOM 0 H LEU A 41 -0.110 1.460 3.425 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.820 1.056 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.932 0.833 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.444 -0.770 1.297 1.00 0.00 H new ATOM 0 HG LEU A 41 0.075 1.801 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.706 0.750 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.403 0.972 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.852 -0.638 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.734 0.291 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.604 -1.096 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.783 0.196 -0.650 1.00 0.00 H new ATOM 640 N GLY A 42 -1.424 -1.462 3.308 1.00 0.00 N ATOM 641 CA GLY A 42 -1.964 -2.761 3.712 1.00 0.00 C ATOM 642 C GLY A 42 -3.481 -2.694 3.932 1.00 0.00 C ATOM 643 O GLY A 42 -4.154 -3.725 3.962 1.00 0.00 O ATOM 0 H GLY A 42 -0.744 -1.066 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.738 -3.504 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.476 -3.090 4.630 1.00 0.00 H new ATOM 647 N LYS A 43 -4.011 -1.470 4.087 1.00 0.00 N ATOM 648 CA LYS A 43 -5.443 -1.276 4.303 1.00 0.00 C ATOM 649 C LYS A 43 -6.201 -1.287 2.973 1.00 0.00 C ATOM 650 O LYS A 43 -7.273 -1.887 2.866 1.00 0.00 O ATOM 651 CB LYS A 43 -5.688 0.064 5.007 1.00 0.00 C ATOM 652 CG LYS A 43 -7.063 0.059 5.675 1.00 0.00 C ATOM 653 CD LYS A 43 -6.956 -0.561 7.072 1.00 0.00 C ATOM 654 CE LYS A 43 -7.981 0.091 8.004 1.00 0.00 C ATOM 655 NZ LYS A 43 -7.346 1.228 8.731 1.00 0.00 N ATOM 0 H LYS A 43 -3.467 -0.607 4.066 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.806 -2.095 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.913 0.240 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.628 0.879 4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.447 1.077 5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.771 -0.507 5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.130 -1.636 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.950 -0.421 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.836 0.446 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.359 -0.643 8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.044 1.669 9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.544 0.877 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.006 1.932 8.045 1.00 0.00 H new ATOM 669 N VAL A 44 -5.633 -0.615 1.962 1.00 0.00 N ATOM 670 CA VAL A 44 -6.269 -0.550 0.642 1.00 0.00 C ATOM 671 C VAL A 44 -6.168 -1.896 -0.085 1.00 0.00 C ATOM 672 O VAL A 44 -7.099 -2.300 -0.784 1.00 0.00 O ATOM 673 CB VAL A 44 -5.639 0.555 -0.223 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.933 1.922 0.399 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.123 0.363 -0.316 1.00 0.00 C ATOM 0 H VAL A 44 -4.746 -0.116 2.032 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.321 -0.314 0.800 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.067 0.500 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.486 2.704 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.011 2.073 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.511 1.963 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.693 1.153 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.689 0.405 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.906 -0.606 -0.766 1.00 0.00 H new ATOM 685 N MET A 45 -5.035 -2.590 0.091 1.00 0.00 N ATOM 686 CA MET A 45 -4.836 -3.893 -0.553 1.00 0.00 C ATOM 687 C MET A 45 -5.705 -4.963 0.109 1.00 0.00 C ATOM 688 O MET A 45 -6.151 -5.908 -0.546 1.00 0.00 O ATOM 689 CB MET A 45 -3.370 -4.323 -0.470 1.00 0.00 C ATOM 690 CG MET A 45 -2.494 -3.287 -1.174 1.00 0.00 C ATOM 691 SD MET A 45 -0.777 -3.858 -1.188 1.00 0.00 S ATOM 692 CE MET A 45 -0.430 -3.564 0.564 1.00 0.00 C ATOM 0 H MET A 45 -4.253 -2.276 0.666 1.00 0.00 H new ATOM 0 HA MET A 45 -5.123 -3.788 -1.599 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.068 -4.422 0.572 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.240 -5.301 -0.934 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.845 -3.131 -2.194 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.565 -2.327 -0.662 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.380 -2.840 0.658 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.324 -3.174 1.052 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.137 -4.500 1.039 1.00 0.00 H new ATOM 702 N ARG A 46 -5.953 -4.795 1.412 1.00 0.00 N ATOM 703 CA ARG A 46 -6.783 -5.736 2.156 1.00 0.00 C ATOM 704 C ARG A 46 -8.213 -5.697 1.611 1.00 0.00 C ATOM 705 O ARG A 46 -8.857 -6.733 1.436 1.00 0.00 O ATOM 706 CB ARG A 46 -6.759 -5.377 3.656 1.00 0.00 C ATOM 707 CG ARG A 46 -8.175 -5.193 4.204 1.00 0.00 C ATOM 708 CD ARG A 46 -8.119 -4.987 5.719 1.00 0.00 C ATOM 709 NE ARG A 46 -9.443 -4.642 6.244 1.00 0.00 N ATOM 710 CZ ARG A 46 -9.953 -3.406 6.129 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.274 -2.451 5.536 1.00 0.00 N ATOM 712 NH2 ARG A 46 -11.141 -3.150 6.613 1.00 0.00 N ATOM 0 H ARG A 46 -5.591 -4.019 1.967 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.392 -6.746 2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.250 -6.164 4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.187 -4.461 3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.651 -4.336 3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.783 -6.067 3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.756 -5.895 6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.410 -4.194 5.957 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.993 -5.363 6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.347 -2.644 5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.673 -1.516 5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.674 -3.888 7.074 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.535 -2.213 6.529 1.00 0.00 H new ATOM 726 N MET A 47 -8.688 -4.478 1.340 1.00 0.00 N ATOM 727 CA MET A 47 -10.038 -4.278 0.805 1.00 0.00 C ATOM 728 C MET A 47 -10.122 -4.731 -0.656 1.00 0.00 C ATOM 729 O MET A 47 -11.172 -5.185 -1.112 1.00 0.00 O ATOM 730 CB MET A 47 -10.435 -2.802 0.894 1.00 0.00 C ATOM 731 CG MET A 47 -10.798 -2.453 2.340 1.00 0.00 C ATOM 732 SD MET A 47 -11.026 -0.663 2.492 1.00 0.00 S ATOM 733 CE MET A 47 -12.702 -0.586 1.812 1.00 0.00 C ATOM 0 H MET A 47 -8.160 -3.617 1.482 1.00 0.00 H new ATOM 0 HA MET A 47 -10.723 -4.878 1.404 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.613 -2.173 0.553 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.282 -2.603 0.238 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.711 -2.972 2.632 1.00 0.00 H new ATOM 0 HG3 MET A 47 -10.010 -2.788 3.015 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.730 0.133 0.993 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.990 -1.570 1.441 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.397 -0.274 2.592 1.00 0.00 H new ATOM 743 N LEU A 48 -9.004 -4.598 -1.385 1.00 0.00 N ATOM 744 CA LEU A 48 -8.954 -4.990 -2.795 1.00 0.00 C ATOM 745 C LEU A 48 -9.365 -6.454 -2.977 1.00 0.00 C ATOM 746 O LEU A 48 -10.150 -6.780 -3.870 1.00 0.00 O ATOM 747 CB LEU A 48 -7.536 -4.797 -3.353 1.00 0.00 C ATOM 748 CG LEU A 48 -7.457 -4.232 -4.775 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.288 -5.101 -5.721 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.002 -2.799 -4.791 1.00 0.00 C ATOM 0 H LEU A 48 -8.128 -4.223 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.654 -4.355 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.989 -4.131 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.023 -5.759 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.417 -4.230 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.230 -4.697 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.900 -6.120 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.327 -5.107 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.945 -2.399 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.040 -2.801 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.409 -2.177 -4.121 1.00 0.00 H new ATOM 762 N GLY A 49 -8.832 -7.333 -2.121 1.00 0.00 N ATOM 763 CA GLY A 49 -9.158 -8.759 -2.204 1.00 0.00 C ATOM 764 C GLY A 49 -8.137 -9.621 -1.456 1.00 0.00 C ATOM 765 O GLY A 49 -8.492 -10.647 -0.873 1.00 0.00 O ATOM 0 H GLY A 49 -8.183 -7.086 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.151 -8.929 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.194 -9.063 -3.250 1.00 0.00 H new ATOM 769 N GLN A 50 -6.869 -9.199 -1.481 1.00 0.00 N ATOM 770 CA GLN A 50 -5.807 -9.949 -0.803 1.00 0.00 C ATOM 771 C GLN A 50 -5.756 -9.593 0.683 1.00 0.00 C ATOM 772 O GLN A 50 -6.424 -8.664 1.138 1.00 0.00 O ATOM 773 CB GLN A 50 -4.444 -9.640 -1.433 1.00 0.00 C ATOM 774 CG GLN A 50 -4.193 -10.592 -2.606 1.00 0.00 C ATOM 775 CD GLN A 50 -4.726 -9.967 -3.893 1.00 0.00 C ATOM 776 OE1 GLN A 50 -5.809 -10.320 -4.360 1.00 0.00 O ATOM 777 NE2 GLN A 50 -4.023 -9.049 -4.502 1.00 0.00 N ATOM 0 H GLN A 50 -6.555 -8.353 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.029 -11.010 -0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.417 -8.606 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.655 -9.748 -0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.126 -10.794 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.683 -11.548 -2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.125 -8.755 -4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.372 -8.627 -5.362 1.00 0.00 H new ATOM 786 N ASN A 51 -4.952 -10.352 1.432 1.00 0.00 N ATOM 787 CA ASN A 51 -4.809 -10.119 2.869 1.00 0.00 C ATOM 788 C ASN A 51 -3.411 -10.538 3.342 1.00 0.00 C ATOM 789 O ASN A 51 -3.234 -11.603 3.940 1.00 0.00 O ATOM 790 CB ASN A 51 -5.874 -10.905 3.646 1.00 0.00 C ATOM 791 CG ASN A 51 -6.141 -10.221 4.985 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.385 -10.401 5.942 1.00 0.00 O ATOM 793 ND2 ASN A 51 -7.179 -9.439 5.113 1.00 0.00 N ATOM 0 H ASN A 51 -4.395 -11.126 1.070 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.944 -9.054 3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.795 -10.961 3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.537 -11.929 3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.363 -8.978 6.004 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.805 -9.289 4.322 1.00 0.00 H new ATOM 800 N PRO A 52 -2.402 -9.699 3.070 1.00 0.00 N ATOM 801 CA PRO A 52 -1.007 -9.981 3.464 1.00 0.00 C ATOM 802 C PRO A 52 -0.711 -9.602 4.917 1.00 0.00 C ATOM 803 O PRO A 52 -1.618 -9.312 5.700 1.00 0.00 O ATOM 804 CB PRO A 52 -0.218 -9.086 2.513 1.00 0.00 C ATOM 805 CG PRO A 52 -1.147 -7.958 2.091 1.00 0.00 C ATOM 806 CD PRO A 52 -2.586 -8.420 2.354 1.00 0.00 C ATOM 0 HA PRO A 52 -0.765 -11.042 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.671 -8.690 3.004 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.122 -9.651 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.927 -7.050 2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.007 -7.721 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.138 -7.697 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.142 -8.554 1.426 1.00 0.00 H new ATOM 814 N THR A 53 0.578 -9.598 5.253 1.00 0.00 N ATOM 815 CA THR A 53 1.022 -9.239 6.602 1.00 0.00 C ATOM 816 C THR A 53 1.616 -7.828 6.579 1.00 0.00 C ATOM 817 O THR A 53 1.865 -7.276 5.505 1.00 0.00 O ATOM 818 CB THR A 53 2.082 -10.235 7.111 1.00 0.00 C ATOM 819 OG1 THR A 53 3.354 -9.909 6.564 1.00 0.00 O ATOM 820 CG2 THR A 53 1.706 -11.659 6.695 1.00 0.00 C ATOM 0 H THR A 53 1.334 -9.839 4.612 1.00 0.00 H new ATOM 0 HA THR A 53 0.165 -9.272 7.274 1.00 0.00 H new ATOM 0 HB THR A 53 2.125 -10.174 8.198 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.024 -10.544 6.892 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.461 -12.356 7.059 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.737 -11.919 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.652 -11.718 5.608 1.00 0.00 H new ATOM 828 N PRO A 54 1.870 -7.234 7.752 1.00 0.00 N ATOM 829 CA PRO A 54 2.457 -5.878 7.826 1.00 0.00 C ATOM 830 C PRO A 54 3.909 -5.846 7.350 1.00 0.00 C ATOM 831 O PRO A 54 4.389 -4.823 6.856 1.00 0.00 O ATOM 832 CB PRO A 54 2.339 -5.546 9.309 1.00 0.00 C ATOM 833 CG PRO A 54 2.230 -6.870 10.047 1.00 0.00 C ATOM 834 CD PRO A 54 1.614 -7.867 9.065 1.00 0.00 C ATOM 0 HA PRO A 54 1.953 -5.160 7.179 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.208 -4.984 9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.463 -4.925 9.498 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.211 -7.210 10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.609 -6.768 10.937 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.081 -8.849 9.139 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.548 -8.007 9.246 1.00 0.00 H new ATOM 842 N GLU A 55 4.589 -6.988 7.479 1.00 0.00 N ATOM 843 CA GLU A 55 5.978 -7.103 7.035 1.00 0.00 C ATOM 844 C GLU A 55 6.019 -7.318 5.522 1.00 0.00 C ATOM 845 O GLU A 55 6.864 -6.754 4.823 1.00 0.00 O ATOM 846 CB GLU A 55 6.677 -8.283 7.721 1.00 0.00 C ATOM 847 CG GLU A 55 6.400 -8.251 9.227 1.00 0.00 C ATOM 848 CD GLU A 55 7.198 -9.352 9.918 1.00 0.00 C ATOM 849 OE1 GLU A 55 6.688 -10.457 10.012 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.306 -9.074 10.347 1.00 0.00 O ATOM 0 H GLU A 55 4.202 -7.840 7.885 1.00 0.00 H new ATOM 0 HA GLU A 55 6.496 -6.181 7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.323 -9.223 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.751 -8.236 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.673 -7.278 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.335 -8.388 9.414 1.00 0.00 H new ATOM 857 N GLU A 56 5.084 -8.142 5.029 1.00 0.00 N ATOM 858 CA GLU A 56 4.997 -8.442 3.597 1.00 0.00 C ATOM 859 C GLU A 56 4.704 -7.172 2.795 1.00 0.00 C ATOM 860 O GLU A 56 5.470 -6.802 1.904 1.00 0.00 O ATOM 861 CB GLU A 56 3.890 -9.470 3.329 1.00 0.00 C ATOM 862 CG GLU A 56 4.197 -10.234 2.038 1.00 0.00 C ATOM 863 CD GLU A 56 5.037 -11.467 2.360 1.00 0.00 C ATOM 864 OE1 GLU A 56 4.452 -12.507 2.617 1.00 0.00 O ATOM 865 OE2 GLU A 56 6.252 -11.354 2.344 1.00 0.00 O ATOM 0 H GLU A 56 4.380 -8.610 5.600 1.00 0.00 H new ATOM 0 HA GLU A 56 5.957 -8.852 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.816 -10.165 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.926 -8.968 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.269 -10.531 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.732 -9.589 1.340 1.00 0.00 H new ATOM 872 N LEU A 57 3.587 -6.506 3.124 1.00 0.00 N ATOM 873 CA LEU A 57 3.203 -5.275 2.428 1.00 0.00 C ATOM 874 C LEU A 57 4.269 -4.182 2.595 1.00 0.00 C ATOM 875 O LEU A 57 4.392 -3.298 1.746 1.00 0.00 O ATOM 876 CB LEU A 57 1.859 -4.753 2.949 1.00 0.00 C ATOM 877 CG LEU A 57 1.849 -4.276 4.408 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.077 -2.763 4.459 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.494 -4.606 5.039 1.00 0.00 C ATOM 0 H LEU A 57 2.942 -6.797 3.859 1.00 0.00 H new ATOM 0 HA LEU A 57 3.112 -5.518 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.541 -3.926 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.116 -5.543 2.840 1.00 0.00 H new ATOM 0 HG LEU A 57 2.644 -4.779 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.069 -2.429 5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.040 -2.525 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.284 -2.257 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.483 -4.269 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.298 -4.102 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.330 -5.683 5.006 1.00 0.00 H new ATOM 891 N GLN A 58 5.034 -4.250 3.695 1.00 0.00 N ATOM 892 CA GLN A 58 6.084 -3.259 3.958 1.00 0.00 C ATOM 893 C GLN A 58 7.071 -3.186 2.791 1.00 0.00 C ATOM 894 O GLN A 58 7.410 -2.100 2.317 1.00 0.00 O ATOM 895 CB GLN A 58 6.857 -3.607 5.238 1.00 0.00 C ATOM 896 CG GLN A 58 6.939 -2.375 6.146 1.00 0.00 C ATOM 897 CD GLN A 58 7.647 -1.237 5.412 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.875 -1.161 5.407 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.936 -0.340 4.781 1.00 0.00 N ATOM 0 H GLN A 58 4.946 -4.973 4.409 1.00 0.00 H new ATOM 0 HA GLN A 58 5.594 -2.293 4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.361 -4.424 5.762 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.860 -3.952 4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.937 -2.062 6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.478 -2.621 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.918 -0.402 4.784 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.399 0.422 4.285 1.00 0.00 H new ATOM 908 N GLU A 59 7.523 -4.358 2.333 1.00 0.00 N ATOM 909 CA GLU A 59 8.471 -4.428 1.218 1.00 0.00 C ATOM 910 C GLU A 59 7.840 -3.889 -0.067 1.00 0.00 C ATOM 911 O GLU A 59 8.511 -3.244 -0.873 1.00 0.00 O ATOM 912 CB GLU A 59 8.917 -5.875 0.981 1.00 0.00 C ATOM 913 CG GLU A 59 9.718 -6.376 2.187 1.00 0.00 C ATOM 914 CD GLU A 59 9.487 -7.874 2.366 1.00 0.00 C ATOM 915 OE1 GLU A 59 8.458 -8.237 2.912 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.343 -8.639 1.954 1.00 0.00 O ATOM 0 H GLU A 59 7.250 -5.264 2.714 1.00 0.00 H new ATOM 0 HA GLU A 59 9.334 -3.817 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.047 -6.512 0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.526 -5.934 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.779 -6.176 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.414 -5.841 3.086 1.00 0.00 H new ATOM 923 N MET A 60 6.542 -4.162 -0.248 1.00 0.00 N ATOM 924 CA MET A 60 5.824 -3.700 -1.440 1.00 0.00 C ATOM 925 C MET A 60 5.786 -2.171 -1.493 1.00 0.00 C ATOM 926 O MET A 60 5.986 -1.575 -2.551 1.00 0.00 O ATOM 927 CB MET A 60 4.387 -4.236 -1.449 1.00 0.00 C ATOM 928 CG MET A 60 4.408 -5.763 -1.554 1.00 0.00 C ATOM 929 SD MET A 60 2.716 -6.377 -1.753 1.00 0.00 S ATOM 930 CE MET A 60 2.723 -6.485 -3.559 1.00 0.00 C ATOM 0 H MET A 60 5.973 -4.695 0.409 1.00 0.00 H new ATOM 0 HA MET A 60 6.357 -4.078 -2.312 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.869 -3.931 -0.540 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.835 -3.811 -2.288 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.020 -6.072 -2.401 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.860 -6.194 -0.660 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.756 -6.850 -3.905 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.911 -5.498 -3.982 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.506 -7.172 -3.879 1.00 0.00 H new ATOM 940 N ILE A 61 5.523 -1.548 -0.337 1.00 0.00 N ATOM 941 CA ILE A 61 5.457 -0.087 -0.246 1.00 0.00 C ATOM 942 C ILE A 61 6.748 0.551 -0.766 1.00 0.00 C ATOM 943 O ILE A 61 6.750 1.205 -1.808 1.00 0.00 O ATOM 944 CB ILE A 61 5.231 0.328 1.210 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.822 -0.082 1.633 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.396 1.843 1.357 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.834 -0.496 3.101 1.00 0.00 C ATOM 0 H ILE A 61 5.353 -2.032 0.544 1.00 0.00 H new ATOM 0 HA ILE A 61 4.627 0.260 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 61 5.965 -0.167 1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.130 0.747 1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.470 -0.907 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.233 2.128 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.403 2.130 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.669 2.351 0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.829 -0.789 3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.514 -1.337 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.168 0.342 3.713 1.00 0.00 H new ATOM 959 N ASP A 62 7.838 0.359 -0.018 1.00 0.00 N ATOM 960 CA ASP A 62 9.142 0.920 -0.393 1.00 0.00 C ATOM 961 C ASP A 62 9.529 0.540 -1.829 1.00 0.00 C ATOM 962 O ASP A 62 10.180 1.319 -2.527 1.00 0.00 O ATOM 963 CB ASP A 62 10.230 0.420 0.563 1.00 0.00 C ATOM 964 CG ASP A 62 10.076 1.107 1.917 1.00 0.00 C ATOM 965 OD1 ASP A 62 10.584 2.206 2.063 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.452 0.526 2.788 1.00 0.00 O ATOM 0 H ASP A 62 7.845 -0.179 0.849 1.00 0.00 H new ATOM 0 HA ASP A 62 9.058 2.005 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.155 -0.661 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.216 0.628 0.148 1.00 0.00 H new ATOM 971 N GLU A 63 9.123 -0.663 -2.261 1.00 0.00 N ATOM 972 CA GLU A 63 9.437 -1.130 -3.617 1.00 0.00 C ATOM 973 C GLU A 63 8.797 -0.225 -4.673 1.00 0.00 C ATOM 974 O GLU A 63 9.455 0.194 -5.625 1.00 0.00 O ATOM 975 CB GLU A 63 8.933 -2.564 -3.826 1.00 0.00 C ATOM 976 CG GLU A 63 10.041 -3.560 -3.468 1.00 0.00 C ATOM 977 CD GLU A 63 10.858 -3.886 -4.715 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.471 -4.792 -5.434 1.00 0.00 O ATOM 979 OE2 GLU A 63 11.862 -3.226 -4.931 1.00 0.00 O ATOM 0 H GLU A 63 8.584 -1.322 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 63 10.521 -1.101 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.055 -2.745 -3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.626 -2.704 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.687 -3.139 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.606 -4.471 -3.057 1.00 0.00 H new ATOM 986 N VAL A 64 7.503 0.064 -4.495 1.00 0.00 N ATOM 987 CA VAL A 64 6.775 0.916 -5.445 1.00 0.00 C ATOM 988 C VAL A 64 6.972 2.408 -5.146 1.00 0.00 C ATOM 989 O VAL A 64 6.637 3.255 -5.977 1.00 0.00 O ATOM 990 CB VAL A 64 5.272 0.604 -5.421 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.051 -0.888 -5.677 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.679 0.986 -4.058 1.00 0.00 C ATOM 0 H VAL A 64 6.943 -0.274 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 64 7.184 0.698 -6.432 1.00 0.00 H new ATOM 0 HB VAL A 64 4.776 1.182 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.983 -1.106 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.460 -1.154 -6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.553 -1.468 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.612 0.761 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.176 0.417 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.827 2.052 -3.883 1.00 0.00 H new ATOM 1002 N ASP A 65 7.506 2.726 -3.958 1.00 0.00 N ATOM 1003 CA ASP A 65 7.727 4.120 -3.582 1.00 0.00 C ATOM 1004 C ASP A 65 8.847 4.713 -4.437 1.00 0.00 C ATOM 1005 O ASP A 65 10.028 4.636 -4.091 1.00 0.00 O ATOM 1006 CB ASP A 65 8.096 4.229 -2.095 1.00 0.00 C ATOM 1007 CG ASP A 65 7.376 5.421 -1.462 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.406 6.494 -2.042 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.804 5.241 -0.401 1.00 0.00 O ATOM 0 H ASP A 65 7.788 2.044 -3.254 1.00 0.00 H new ATOM 0 HA ASP A 65 6.805 4.676 -3.752 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.822 3.311 -1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.174 4.346 -1.987 1.00 0.00 H new ATOM 1014 N GLU A 66 8.454 5.286 -5.576 1.00 0.00 N ATOM 1015 CA GLU A 66 9.416 5.875 -6.512 1.00 0.00 C ATOM 1016 C GLU A 66 9.978 7.201 -5.989 1.00 0.00 C ATOM 1017 O GLU A 66 11.148 7.516 -6.211 1.00 0.00 O ATOM 1018 CB GLU A 66 8.754 6.121 -7.872 1.00 0.00 C ATOM 1019 CG GLU A 66 8.432 4.781 -8.539 1.00 0.00 C ATOM 1020 CD GLU A 66 7.443 4.999 -9.682 1.00 0.00 C ATOM 1021 OE1 GLU A 66 7.890 5.302 -10.776 1.00 0.00 O ATOM 1022 OE2 GLU A 66 6.255 4.859 -9.447 1.00 0.00 O ATOM 0 H GLU A 66 7.481 5.355 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 66 10.237 5.165 -6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.841 6.703 -7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.417 6.706 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.346 4.324 -8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.011 4.092 -7.807 1.00 0.00 H new ATOM 1029 N ASP A 67 9.132 7.975 -5.305 1.00 0.00 N ATOM 1030 CA ASP A 67 9.563 9.275 -4.770 1.00 0.00 C ATOM 1031 C ASP A 67 10.149 9.136 -3.362 1.00 0.00 C ATOM 1032 O ASP A 67 11.162 9.761 -3.042 1.00 0.00 O ATOM 1033 CB ASP A 67 8.400 10.287 -4.734 1.00 0.00 C ATOM 1034 CG ASP A 67 7.077 9.592 -4.398 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.859 9.298 -3.236 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.302 9.367 -5.312 1.00 0.00 O ATOM 0 H ASP A 67 8.161 7.733 -5.109 1.00 0.00 H new ATOM 0 HA ASP A 67 10.336 9.646 -5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.608 11.059 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.318 10.786 -5.700 1.00 0.00 H new ATOM 1041 N GLY A 68 9.498 8.329 -2.521 1.00 0.00 N ATOM 1042 CA GLY A 68 9.957 8.136 -1.145 1.00 0.00 C ATOM 1043 C GLY A 68 9.613 9.361 -0.300 1.00 0.00 C ATOM 1044 O GLY A 68 10.441 9.853 0.470 1.00 0.00 O ATOM 0 H GLY A 68 8.659 7.803 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.490 7.248 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.034 7.967 -1.133 1.00 0.00 H new ATOM 1048 N SER A 69 8.383 9.852 -0.470 1.00 0.00 N ATOM 1049 CA SER A 69 7.921 11.033 0.258 1.00 0.00 C ATOM 1050 C SER A 69 7.220 10.641 1.559 1.00 0.00 C ATOM 1051 O SER A 69 7.566 11.129 2.637 1.00 0.00 O ATOM 1052 CB SER A 69 6.950 11.843 -0.609 1.00 0.00 C ATOM 1053 OG SER A 69 5.919 10.988 -1.095 1.00 0.00 O ATOM 0 H SER A 69 7.692 9.450 -1.104 1.00 0.00 H new ATOM 0 HA SER A 69 8.796 11.637 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.518 12.656 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.484 12.297 -1.444 1.00 0.00 H new ATOM 0 HG SER A 69 6.242 10.500 -1.881 1.00 0.00 H new ATOM 1059 N GLY A 70 6.220 9.765 1.440 1.00 0.00 N ATOM 1060 CA GLY A 70 5.453 9.316 2.604 1.00 0.00 C ATOM 1061 C GLY A 70 4.055 8.849 2.193 1.00 0.00 C ATOM 1062 O GLY A 70 3.449 8.012 2.864 1.00 0.00 O ATOM 0 H GLY A 70 5.924 9.354 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.981 8.502 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.371 10.129 3.326 1.00 0.00 H new ATOM 1066 N THR A 71 3.550 9.399 1.081 1.00 0.00 N ATOM 1067 CA THR A 71 2.226 9.030 0.583 1.00 0.00 C ATOM 1068 C THR A 71 2.351 8.222 -0.707 1.00 0.00 C ATOM 1069 O THR A 71 3.292 8.408 -1.484 1.00 0.00 O ATOM 1070 CB THR A 71 1.376 10.278 0.307 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.985 11.059 -0.718 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.253 11.111 1.587 1.00 0.00 C ATOM 0 H THR A 71 4.036 10.095 0.516 1.00 0.00 H new ATOM 0 HA THR A 71 1.739 8.428 1.350 1.00 0.00 H new ATOM 0 HB THR A 71 0.383 9.971 -0.020 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.312 11.303 -1.387 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.649 11.996 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.777 10.514 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.245 11.416 1.920 1.00 0.00 H new ATOM 1080 N VAL A 72 1.387 7.330 -0.925 1.00 0.00 N ATOM 1081 CA VAL A 72 1.382 6.495 -2.124 1.00 0.00 C ATOM 1082 C VAL A 72 0.376 7.034 -3.135 1.00 0.00 C ATOM 1083 O VAL A 72 -0.835 7.009 -2.902 1.00 0.00 O ATOM 1084 CB VAL A 72 1.018 5.045 -1.781 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.189 4.165 -3.023 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.936 4.533 -0.668 1.00 0.00 C ATOM 0 H VAL A 72 0.604 7.167 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 72 2.384 6.518 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.018 5.005 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.930 3.135 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.534 4.525 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.225 4.208 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.675 3.503 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.972 4.576 -1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.815 5.155 0.219 1.00 0.00 H new ATOM 1096 N ASP A 73 0.892 7.510 -4.265 1.00 0.00 N ATOM 1097 CA ASP A 73 0.036 8.045 -5.321 1.00 0.00 C ATOM 1098 C ASP A 73 -0.444 6.905 -6.218 1.00 0.00 C ATOM 1099 O ASP A 73 -0.090 5.744 -6.004 1.00 0.00 O ATOM 1100 CB ASP A 73 0.799 9.073 -6.166 1.00 0.00 C ATOM 1101 CG ASP A 73 1.147 10.287 -5.306 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.156 10.237 -4.622 1.00 0.00 O ATOM 1103 OD2 ASP A 73 0.398 11.250 -5.344 1.00 0.00 O ATOM 0 H ASP A 73 1.890 7.537 -4.473 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.820 8.537 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.709 8.626 -6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.193 9.380 -7.018 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.257 7.242 -7.219 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.779 6.226 -8.135 1.00 0.00 C ATOM 1110 C PHE A 74 -0.655 5.599 -8.963 1.00 0.00 C ATOM 1111 O PHE A 74 -0.710 4.416 -9.298 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.822 6.824 -9.078 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.776 5.741 -9.519 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.399 4.925 -8.567 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.040 5.557 -10.878 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.286 3.923 -8.974 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -4.928 4.556 -11.288 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.552 3.740 -10.336 1.00 0.00 C ATOM 0 H PHE A 74 -1.565 8.194 -7.415 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.246 5.453 -7.525 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.368 7.623 -8.576 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.333 7.269 -9.945 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.194 5.070 -7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.559 6.187 -11.612 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.764 3.292 -8.239 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.132 4.413 -12.339 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.239 2.969 -10.653 1.00 0.00 H new ATOM 1128 N ASP A 75 0.373 6.396 -9.274 1.00 0.00 N ATOM 1129 CA ASP A 75 1.514 5.894 -10.044 1.00 0.00 C ATOM 1130 C ASP A 75 2.245 4.814 -9.247 1.00 0.00 C ATOM 1131 O ASP A 75 2.714 3.824 -9.808 1.00 0.00 O ATOM 1132 CB ASP A 75 2.493 7.028 -10.369 1.00 0.00 C ATOM 1133 CG ASP A 75 2.222 7.551 -11.776 1.00 0.00 C ATOM 1134 OD1 ASP A 75 2.784 7.003 -12.709 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.457 8.491 -11.900 1.00 0.00 O ATOM 0 H ASP A 75 0.438 7.379 -9.008 1.00 0.00 H new ATOM 0 HA ASP A 75 1.136 5.474 -10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.385 7.834 -9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.519 6.668 -10.295 1.00 0.00 H new ATOM 1140 N GLU A 76 2.312 5.017 -7.927 1.00 0.00 N ATOM 1141 CA GLU A 76 2.962 4.056 -7.030 1.00 0.00 C ATOM 1142 C GLU A 76 1.986 2.928 -6.669 1.00 0.00 C ATOM 1143 O GLU A 76 2.397 1.828 -6.297 1.00 0.00 O ATOM 1144 CB GLU A 76 3.434 4.753 -5.744 1.00 0.00 C ATOM 1145 CG GLU A 76 4.037 6.120 -6.090 1.00 0.00 C ATOM 1146 CD GLU A 76 4.501 6.828 -4.817 1.00 0.00 C ATOM 1147 OE1 GLU A 76 5.589 6.530 -4.357 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.768 7.664 -4.327 1.00 0.00 O ATOM 0 H GLU A 76 1.925 5.836 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 76 3.827 3.637 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.596 4.877 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.175 4.136 -5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.878 5.993 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.298 6.732 -6.607 1.00 0.00 H new ATOM 1155 N PHE A 77 0.684 3.221 -6.791 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.362 2.243 -6.489 1.00 0.00 C ATOM 1157 C PHE A 77 -0.508 1.227 -7.634 1.00 0.00 C ATOM 1158 O PHE A 77 -0.722 0.037 -7.396 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.698 2.970 -6.276 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.743 2.016 -5.746 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.706 1.601 -4.407 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.754 1.552 -6.596 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.681 0.720 -3.923 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.727 0.671 -6.111 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.690 0.255 -4.775 1.00 0.00 C ATOM 0 H PHE A 77 0.333 4.129 -7.097 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.083 1.706 -5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.562 3.795 -5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.037 3.403 -7.217 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.927 1.960 -3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.783 1.874 -7.626 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.655 0.399 -2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.506 0.312 -6.767 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.441 -0.425 -4.401 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.401 1.716 -8.877 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.534 0.854 -10.060 1.00 0.00 C ATOM 1177 C LEU A 78 0.711 -0.010 -10.281 1.00 0.00 C ATOM 1178 O LEU A 78 0.599 -1.173 -10.675 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.767 1.700 -11.318 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.139 2.381 -11.420 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.496 2.591 -12.894 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.204 1.502 -10.761 1.00 0.00 C ATOM 0 H LEU A 78 -0.224 2.698 -9.089 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.388 0.202 -9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.004 2.469 -11.364 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.633 1.062 -12.192 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.100 3.344 -10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.470 3.075 -12.967 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.742 3.221 -13.365 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.531 1.627 -13.401 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.176 1.990 -10.836 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.243 0.537 -11.266 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.953 1.352 -9.711 1.00 0.00 H new ATOM 1194 N VAL A 79 1.896 0.565 -10.038 1.00 0.00 N ATOM 1195 CA VAL A 79 3.153 -0.176 -10.233 1.00 0.00 C ATOM 1196 C VAL A 79 3.189 -1.453 -9.389 1.00 0.00 C ATOM 1197 O VAL A 79 3.848 -2.420 -9.755 1.00 0.00 O ATOM 1198 CB VAL A 79 4.382 0.676 -9.886 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.600 1.738 -10.967 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.190 1.357 -8.530 1.00 0.00 C ATOM 0 H VAL A 79 2.013 1.524 -9.712 1.00 0.00 H new ATOM 0 HA VAL A 79 3.188 -0.437 -11.291 1.00 0.00 H new ATOM 0 HB VAL A 79 5.255 0.025 -9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.473 2.339 -10.715 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.760 1.251 -11.929 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.722 2.381 -11.028 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.069 1.958 -8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.311 2.000 -8.567 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.053 0.599 -7.758 1.00 0.00 H new ATOM 1210 N MET A 80 2.479 -1.440 -8.257 1.00 0.00 N ATOM 1211 CA MET A 80 2.433 -2.603 -7.357 1.00 0.00 C ATOM 1212 C MET A 80 2.111 -3.904 -8.110 1.00 0.00 C ATOM 1213 O MET A 80 2.614 -4.971 -7.756 1.00 0.00 O ATOM 1214 CB MET A 80 1.372 -2.389 -6.275 1.00 0.00 C ATOM 1215 CG MET A 80 2.033 -1.878 -4.992 1.00 0.00 C ATOM 1216 SD MET A 80 0.934 -2.177 -3.585 1.00 0.00 S ATOM 1217 CE MET A 80 -0.431 -1.117 -4.123 1.00 0.00 C ATOM 0 H MET A 80 1.929 -0.641 -7.940 1.00 0.00 H new ATOM 0 HA MET A 80 3.422 -2.698 -6.909 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.627 -1.673 -6.621 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.848 -3.324 -6.077 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.986 -2.383 -4.836 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.247 -0.813 -5.080 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.274 -1.236 -3.442 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.106 -0.076 -4.121 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.736 -1.400 -5.131 1.00 0.00 H new ATOM 1227 N MET A 81 1.265 -3.807 -9.140 1.00 0.00 N ATOM 1228 CA MET A 81 0.881 -4.988 -9.922 1.00 0.00 C ATOM 1229 C MET A 81 1.960 -5.354 -10.946 1.00 0.00 C ATOM 1230 O MET A 81 2.386 -6.507 -11.028 1.00 0.00 O ATOM 1231 CB MET A 81 -0.435 -4.733 -10.667 1.00 0.00 C ATOM 1232 CG MET A 81 -1.617 -5.104 -9.769 1.00 0.00 C ATOM 1233 SD MET A 81 -1.990 -6.866 -9.955 1.00 0.00 S ATOM 1234 CE MET A 81 -1.466 -7.389 -8.304 1.00 0.00 C ATOM 0 H MET A 81 0.837 -2.935 -9.450 1.00 0.00 H new ATOM 0 HA MET A 81 0.759 -5.814 -9.221 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.502 -3.685 -10.958 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.464 -5.321 -11.584 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.381 -4.880 -8.729 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.490 -4.507 -10.034 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.950 -8.332 -8.050 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.384 -7.521 -8.291 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.748 -6.629 -7.575 1.00 0.00 H new ATOM 1244 N VAL A 82 2.377 -4.362 -11.737 1.00 0.00 N ATOM 1245 CA VAL A 82 3.393 -4.582 -12.780 1.00 0.00 C ATOM 1246 C VAL A 82 4.784 -4.873 -12.196 1.00 0.00 C ATOM 1247 O VAL A 82 5.599 -5.536 -12.840 1.00 0.00 O ATOM 1248 CB VAL A 82 3.488 -3.367 -13.713 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.231 -3.286 -14.583 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.615 -2.085 -12.887 1.00 0.00 C ATOM 0 H VAL A 82 2.032 -3.404 -11.679 1.00 0.00 H new ATOM 0 HA VAL A 82 3.069 -5.459 -13.341 1.00 0.00 H new ATOM 0 HB VAL A 82 4.366 -3.476 -14.349 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.301 -2.422 -15.244 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.142 -4.194 -15.180 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.353 -3.184 -13.945 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.682 -1.227 -13.555 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.741 -1.978 -12.245 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.513 -2.136 -12.271 1.00 0.00 H new ATOM 1260 N ARG A 83 5.056 -4.377 -10.980 1.00 0.00 N ATOM 1261 CA ARG A 83 6.363 -4.609 -10.347 1.00 0.00 C ATOM 1262 C ARG A 83 6.564 -6.096 -10.029 1.00 0.00 C ATOM 1263 O ARG A 83 7.697 -6.563 -9.899 1.00 0.00 O ATOM 1264 CB ARG A 83 6.511 -3.784 -9.057 1.00 0.00 C ATOM 1265 CG ARG A 83 5.537 -4.286 -7.981 1.00 0.00 C ATOM 1266 CD ARG A 83 6.175 -4.138 -6.598 1.00 0.00 C ATOM 1267 NE ARG A 83 5.912 -5.321 -5.775 1.00 0.00 N ATOM 1268 CZ ARG A 83 6.642 -6.441 -5.890 1.00 0.00 C ATOM 1269 NH1 ARG A 83 7.626 -6.516 -6.754 1.00 0.00 N ATOM 1270 NH2 ARG A 83 6.369 -7.471 -5.130 1.00 0.00 N ATOM 0 H ARG A 83 4.404 -3.824 -10.424 1.00 0.00 H new ATOM 0 HA ARG A 83 7.126 -4.291 -11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.535 -3.854 -8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.319 -2.732 -9.267 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.607 -3.719 -8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.283 -5.330 -8.165 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.250 -3.994 -6.702 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.781 -3.250 -6.104 1.00 0.00 H new ATOM 0 HE ARG A 83 5.152 -5.293 -5.095 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.844 -5.717 -7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.173 -7.374 -6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.605 -7.419 -4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.920 -8.326 -5.212 1.00 0.00 H new ATOM 1284 N CYS A 84 5.451 -6.834 -9.914 1.00 0.00 N ATOM 1285 CA CYS A 84 5.516 -8.270 -9.621 1.00 0.00 C ATOM 1286 C CYS A 84 6.074 -9.053 -10.818 1.00 0.00 C ATOM 1287 O CYS A 84 6.608 -10.151 -10.651 1.00 0.00 O ATOM 1288 CB CYS A 84 4.126 -8.811 -9.278 1.00 0.00 C ATOM 1289 SG CYS A 84 3.656 -8.262 -7.618 1.00 0.00 S ATOM 0 H CYS A 84 4.506 -6.465 -10.018 1.00 0.00 H new ATOM 0 HA CYS A 84 6.182 -8.400 -8.768 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.397 -8.460 -10.008 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.126 -9.900 -9.326 1.00 0.00 H new ATOM 0 HG CYS A 84 3.285 -7.017 -7.661 1.00 0.00 H new