USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 574 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 20 LYS NZ :NH3+ -154:sc= 0.958 (180deg=-0.178) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0.849 USER MOD Single : A 3 SER OG : rot 44:sc= 0.124 USER MOD Single : A 4 TYR OH : rot 71:sc= 0.605 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= 1.03 (180deg=0.677) USER MOD Single : A 29 GLN : amide:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.21) USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.375) USER MOD Single : A 35 ASN : amide:sc= -2.59! C(o=-2.6!,f=-5.5!) USER MOD Single : A 38 ASN : amide:sc= -0.652 K(o=-0.65,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0111) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0301) USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= -0.88! (180deg=-3.22!) USER MOD Single : A 57 SER OG : rot 87:sc= 1.14 USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.11) USER MOD Single : A 60 HIS : no HE2:sc= 0.994 K(o=0.99,f=-3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -5.985 2.230 9.423 1.00 0.00 N ATOM 31 CA SER A 3 -5.079 1.125 9.165 1.00 0.00 C ATOM 32 C SER A 3 -4.336 1.382 7.859 1.00 0.00 C ATOM 33 O SER A 3 -3.346 0.721 7.549 1.00 0.00 O ATOM 34 CB SER A 3 -5.855 -0.193 9.098 1.00 0.00 C ATOM 35 OG SER A 3 -6.634 -0.377 10.269 1.00 0.00 O ATOM 0 HA SER A 3 -4.356 1.048 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.502 -0.195 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.160 -1.025 8.984 1.00 0.00 H new ATOM 0 HG SER A 3 -7.080 0.464 10.501 1.00 0.00 H new ATOM 41 N TYR A 4 -4.824 2.366 7.098 1.00 0.00 N ATOM 42 CA TYR A 4 -4.159 2.783 5.866 1.00 0.00 C ATOM 43 C TYR A 4 -2.833 3.455 6.201 1.00 0.00 C ATOM 44 O TYR A 4 -1.894 3.462 5.400 1.00 0.00 O ATOM 45 CB TYR A 4 -5.037 3.744 5.055 1.00 0.00 C ATOM 46 CG TYR A 4 -6.414 3.204 4.729 1.00 0.00 C ATOM 47 CD1 TYR A 4 -6.586 2.209 3.776 1.00 0.00 C ATOM 48 CD2 TYR A 4 -7.543 3.697 5.371 1.00 0.00 C ATOM 49 CE1 TYR A 4 -7.844 1.719 3.473 1.00 0.00 C ATOM 50 CE2 TYR A 4 -8.804 3.215 5.074 1.00 0.00 C ATOM 51 CZ TYR A 4 -8.950 2.227 4.123 1.00 0.00 C ATOM 52 OH TYR A 4 -10.205 1.749 3.822 1.00 0.00 O ATOM 0 H TYR A 4 -5.675 2.886 7.315 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.980 1.895 5.259 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.147 4.675 5.611 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.525 3.988 4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.723 1.811 3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.433 4.471 6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.960 0.943 2.731 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.670 3.610 5.584 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.298 0.836 4.165 1.00 0.00 H new ATOM 62 N TYR A 5 -2.777 4.013 7.402 1.00 0.00 N ATOM 63 CA TYR A 5 -1.569 4.638 7.919 1.00 0.00 C ATOM 64 C TYR A 5 -0.438 3.615 7.958 1.00 0.00 C ATOM 65 O TYR A 5 0.711 3.922 7.647 1.00 0.00 O ATOM 66 CB TYR A 5 -1.845 5.179 9.327 1.00 0.00 C ATOM 67 CG TYR A 5 -0.824 6.169 9.836 1.00 0.00 C ATOM 68 CD1 TYR A 5 0.390 5.748 10.365 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.083 7.533 9.795 1.00 0.00 C ATOM 70 CE1 TYR A 5 1.316 6.659 10.834 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.161 8.448 10.264 1.00 0.00 C ATOM 72 CZ TYR A 5 1.034 8.005 10.782 1.00 0.00 C ATOM 73 OH TYR A 5 1.953 8.913 11.248 1.00 0.00 O ATOM 0 H TYR A 5 -3.568 4.045 8.045 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.273 5.462 7.270 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.826 5.655 9.333 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.894 4.340 10.021 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.613 4.692 10.410 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.021 7.884 9.390 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.257 6.317 11.240 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.377 9.505 10.224 1.00 0.00 H new ATOM 0 HH TYR A 5 1.601 9.821 11.138 1.00 0.00 H new ATOM 83 N GLU A 6 -0.780 2.389 8.336 1.00 0.00 N ATOM 84 CA GLU A 6 0.192 1.313 8.413 1.00 0.00 C ATOM 85 C GLU A 6 0.602 0.818 7.029 1.00 0.00 C ATOM 86 O GLU A 6 1.786 0.608 6.766 1.00 0.00 O ATOM 87 CB GLU A 6 -0.368 0.152 9.228 1.00 0.00 C ATOM 88 CG GLU A 6 -0.544 0.489 10.692 1.00 0.00 C ATOM 89 CD GLU A 6 0.772 0.797 11.377 1.00 0.00 C ATOM 90 OE1 GLU A 6 1.623 -0.107 11.470 1.00 0.00 O ATOM 91 OE2 GLU A 6 0.958 1.945 11.834 1.00 0.00 O ATOM 0 H GLU A 6 -1.729 2.118 8.594 1.00 0.00 H new ATOM 0 HA GLU A 6 1.079 1.711 8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.330 -0.147 8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.299 -0.705 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.209 1.347 10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.027 -0.346 11.199 1.00 0.00 H new ATOM 98 N ILE A 7 -0.377 0.639 6.145 1.00 0.00 N ATOM 99 CA ILE A 7 -0.123 0.020 4.855 1.00 0.00 C ATOM 100 C ILE A 7 0.662 0.947 3.927 1.00 0.00 C ATOM 101 O ILE A 7 1.579 0.510 3.232 1.00 0.00 O ATOM 102 CB ILE A 7 -1.436 -0.415 4.179 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.399 0.754 4.126 1.00 0.00 C ATOM 104 CG2 ILE A 7 -2.071 -1.566 4.943 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.469 0.618 3.074 1.00 0.00 C ATOM 0 H ILE A 7 -1.347 0.914 6.301 1.00 0.00 H new ATOM 0 HA ILE A 7 0.484 -0.866 5.042 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.212 -0.747 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.874 0.865 5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.835 1.668 3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.998 -1.861 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.385 -2.413 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.286 -1.250 5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.118 1.494 3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.005 0.539 2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.060 -0.277 3.269 1.00 0.00 H new ATOM 117 N LEU A 8 0.300 2.223 3.910 1.00 0.00 N ATOM 118 CA LEU A 8 1.030 3.209 3.128 1.00 0.00 C ATOM 119 C LEU A 8 1.898 4.049 4.038 1.00 0.00 C ATOM 120 O LEU A 8 3.111 3.850 4.118 1.00 0.00 O ATOM 121 CB LEU A 8 0.074 4.112 2.343 1.00 0.00 C ATOM 122 CG LEU A 8 -1.084 3.389 1.673 1.00 0.00 C ATOM 123 CD1 LEU A 8 -1.999 4.385 0.987 1.00 0.00 C ATOM 124 CD2 LEU A 8 -0.579 2.353 0.678 1.00 0.00 C ATOM 0 H LEU A 8 -0.494 2.598 4.429 1.00 0.00 H new ATOM 0 HA LEU A 8 1.659 2.677 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.330 4.865 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.643 4.642 1.579 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.651 2.866 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.824 3.854 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.394 5.084 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.437 4.934 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.428 1.851 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.016 2.846 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.037 1.619 1.198 1.00 0.00 H new ATOM 136 N ASP A 9 1.230 4.957 4.750 1.00 0.00 N ATOM 137 CA ASP A 9 1.880 5.954 5.607 1.00 0.00 C ATOM 138 C ASP A 9 0.855 6.991 6.049 1.00 0.00 C ATOM 139 O ASP A 9 0.935 7.547 7.145 1.00 0.00 O ATOM 140 CB ASP A 9 3.026 6.660 4.872 1.00 0.00 C ATOM 141 CG ASP A 9 3.685 7.740 5.709 1.00 0.00 C ATOM 142 OD1 ASP A 9 4.405 7.401 6.675 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.509 8.934 5.388 1.00 0.00 O ATOM 0 H ASP A 9 0.212 5.023 4.749 1.00 0.00 H new ATOM 0 HA ASP A 9 2.293 5.437 6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.775 5.923 4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.643 7.102 3.952 1.00 0.00 H new ATOM 148 N VAL A 10 -0.127 7.216 5.186 1.00 0.00 N ATOM 149 CA VAL A 10 -1.154 8.226 5.415 1.00 0.00 C ATOM 150 C VAL A 10 -2.546 7.593 5.439 1.00 0.00 C ATOM 151 O VAL A 10 -2.762 6.529 4.857 1.00 0.00 O ATOM 152 CB VAL A 10 -1.107 9.323 4.325 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.192 10.111 4.410 1.00 0.00 C ATOM 154 CG2 VAL A 10 -1.273 8.715 2.937 1.00 0.00 C ATOM 0 H VAL A 10 -0.235 6.705 4.310 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.953 8.681 6.385 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.937 10.008 4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.204 10.877 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.267 10.584 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.037 9.437 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.237 9.505 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.469 8.003 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.233 8.202 2.877 1.00 0.00 H new ATOM 164 N PRO A 11 -3.500 8.231 6.137 1.00 0.00 N ATOM 165 CA PRO A 11 -4.878 7.746 6.231 1.00 0.00 C ATOM 166 C PRO A 11 -5.715 8.111 5.004 1.00 0.00 C ATOM 167 O PRO A 11 -5.225 8.743 4.074 1.00 0.00 O ATOM 168 CB PRO A 11 -5.403 8.466 7.470 1.00 0.00 C ATOM 169 CG PRO A 11 -4.661 9.756 7.496 1.00 0.00 C ATOM 170 CD PRO A 11 -3.303 9.475 6.907 1.00 0.00 C ATOM 0 HA PRO A 11 -4.930 6.659 6.288 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.479 8.629 7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.220 7.885 8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.185 10.518 6.919 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.572 10.133 8.515 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.968 10.292 6.268 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.549 9.349 7.684 1.00 0.00 H new ATOM 178 N ARG A 12 -6.990 7.730 5.024 1.00 0.00 N ATOM 179 CA ARG A 12 -7.880 7.958 3.886 1.00 0.00 C ATOM 180 C ARG A 12 -8.275 9.426 3.776 1.00 0.00 C ATOM 181 O ARG A 12 -8.783 9.870 2.747 1.00 0.00 O ATOM 182 CB ARG A 12 -9.136 7.101 4.007 1.00 0.00 C ATOM 183 CG ARG A 12 -9.915 7.319 5.294 1.00 0.00 C ATOM 184 CD ARG A 12 -11.140 6.425 5.369 1.00 0.00 C ATOM 185 NE ARG A 12 -11.956 6.723 6.544 1.00 0.00 N ATOM 186 CZ ARG A 12 -12.448 5.797 7.367 1.00 0.00 C ATOM 187 NH1 ARG A 12 -12.236 4.511 7.132 1.00 0.00 N ATOM 188 NH2 ARG A 12 -13.171 6.160 8.415 1.00 0.00 N ATOM 0 H ARG A 12 -7.431 7.262 5.816 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.336 7.676 2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.789 7.311 3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.854 6.050 3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.268 7.122 6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.222 8.363 5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.740 6.553 4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.827 5.381 5.398 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.162 7.701 6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.693 4.224 6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.615 3.807 7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.351 7.148 8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.548 5.452 9.045 1.00 0.00 H new ATOM 202 N SER A 13 -8.082 10.154 4.861 1.00 0.00 N ATOM 203 CA SER A 13 -8.319 11.591 4.884 1.00 0.00 C ATOM 204 C SER A 13 -7.328 12.315 3.965 1.00 0.00 C ATOM 205 O SER A 13 -7.595 13.421 3.489 1.00 0.00 O ATOM 206 CB SER A 13 -8.200 12.120 6.316 1.00 0.00 C ATOM 207 OG SER A 13 -8.745 13.423 6.433 1.00 0.00 O ATOM 0 H SER A 13 -7.758 9.770 5.749 1.00 0.00 H new ATOM 0 HA SER A 13 -9.328 11.783 4.520 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.716 11.445 6.999 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.152 12.134 6.614 1.00 0.00 H new ATOM 0 HG SER A 13 -8.656 13.733 7.358 1.00 0.00 H new ATOM 213 N ALA A 14 -6.191 11.675 3.712 1.00 0.00 N ATOM 214 CA ALA A 14 -5.186 12.223 2.816 1.00 0.00 C ATOM 215 C ALA A 14 -5.654 12.098 1.374 1.00 0.00 C ATOM 216 O ALA A 14 -6.353 11.147 1.023 1.00 0.00 O ATOM 217 CB ALA A 14 -3.852 11.521 3.012 1.00 0.00 C ATOM 0 H ALA A 14 -5.944 10.772 4.118 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.047 13.279 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.114 11.946 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.518 11.656 4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.967 10.457 2.804 1.00 0.00 H new ATOM 223 N SER A 15 -5.295 13.069 0.549 1.00 0.00 N ATOM 224 CA SER A 15 -5.762 13.115 -0.828 1.00 0.00 C ATOM 225 C SER A 15 -5.173 11.968 -1.643 1.00 0.00 C ATOM 226 O SER A 15 -4.158 11.394 -1.255 1.00 0.00 O ATOM 227 CB SER A 15 -5.389 14.460 -1.450 1.00 0.00 C ATOM 228 OG SER A 15 -5.796 15.529 -0.608 1.00 0.00 O ATOM 0 H SER A 15 -4.679 13.839 0.810 1.00 0.00 H new ATOM 0 HA SER A 15 -6.846 13.005 -0.834 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.312 14.506 -1.611 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.862 14.559 -2.427 1.00 0.00 H new ATOM 0 HG SER A 15 -5.548 16.383 -1.020 1.00 0.00 H new ATOM 234 N ALA A 16 -5.806 11.639 -2.761 1.00 0.00 N ATOM 235 CA ALA A 16 -5.341 10.546 -3.615 1.00 0.00 C ATOM 236 C ALA A 16 -3.871 10.718 -3.980 1.00 0.00 C ATOM 237 O ALA A 16 -3.114 9.747 -4.056 1.00 0.00 O ATOM 238 CB ALA A 16 -6.191 10.461 -4.868 1.00 0.00 C ATOM 0 H ALA A 16 -6.644 12.112 -3.101 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.441 9.615 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.834 9.644 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.230 10.280 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.121 11.398 -5.420 1.00 0.00 H new ATOM 244 N ASP A 17 -3.472 11.967 -4.177 1.00 0.00 N ATOM 245 CA ASP A 17 -2.089 12.298 -4.492 1.00 0.00 C ATOM 246 C ASP A 17 -1.159 11.874 -3.360 1.00 0.00 C ATOM 247 O ASP A 17 -0.066 11.361 -3.600 1.00 0.00 O ATOM 248 CB ASP A 17 -1.952 13.799 -4.740 1.00 0.00 C ATOM 249 CG ASP A 17 -2.753 14.261 -5.938 1.00 0.00 C ATOM 250 OD1 ASP A 17 -2.229 14.216 -7.070 1.00 0.00 O ATOM 251 OD2 ASP A 17 -3.918 14.680 -5.758 1.00 0.00 O ATOM 0 H ASP A 17 -4.093 12.774 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.805 11.757 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.282 14.342 -3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.901 14.045 -4.892 1.00 0.00 H new ATOM 256 N ASP A 18 -1.605 12.084 -2.127 1.00 0.00 N ATOM 257 CA ASP A 18 -0.845 11.676 -0.948 1.00 0.00 C ATOM 258 C ASP A 18 -0.662 10.171 -0.924 1.00 0.00 C ATOM 259 O ASP A 18 0.425 9.679 -0.647 1.00 0.00 O ATOM 260 CB ASP A 18 -1.540 12.111 0.342 1.00 0.00 C ATOM 261 CG ASP A 18 -1.511 13.606 0.553 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.420 14.148 0.833 1.00 0.00 O ATOM 263 OD2 ASP A 18 -2.581 14.243 0.471 1.00 0.00 O ATOM 0 H ASP A 18 -2.494 12.537 -1.916 1.00 0.00 H new ATOM 0 HA ASP A 18 0.128 12.164 -1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.576 11.773 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.061 11.621 1.189 1.00 0.00 H new ATOM 268 N ILE A 19 -1.734 9.445 -1.209 1.00 0.00 N ATOM 269 CA ILE A 19 -1.686 7.988 -1.261 1.00 0.00 C ATOM 270 C ILE A 19 -0.705 7.517 -2.332 1.00 0.00 C ATOM 271 O ILE A 19 0.114 6.631 -2.089 1.00 0.00 O ATOM 272 CB ILE A 19 -3.091 7.380 -1.510 1.00 0.00 C ATOM 273 CG1 ILE A 19 -3.887 7.336 -0.208 1.00 0.00 C ATOM 274 CG2 ILE A 19 -3.010 5.992 -2.127 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.486 8.662 0.170 1.00 0.00 C ATOM 0 H ILE A 19 -2.652 9.842 -1.409 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.338 7.637 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.605 8.025 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.685 6.599 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.235 6.998 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.017 5.604 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.490 6.049 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.466 5.327 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.038 8.559 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.691 9.397 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.164 8.993 -0.617 1.00 0.00 H new ATOM 287 N LYS A 20 -0.780 8.124 -3.511 1.00 0.00 N ATOM 288 CA LYS A 20 0.158 7.820 -4.586 1.00 0.00 C ATOM 289 C LYS A 20 1.591 8.141 -4.162 1.00 0.00 C ATOM 290 O LYS A 20 2.518 7.390 -4.458 1.00 0.00 O ATOM 291 CB LYS A 20 -0.205 8.598 -5.854 1.00 0.00 C ATOM 292 CG LYS A 20 0.745 8.338 -7.015 1.00 0.00 C ATOM 293 CD LYS A 20 0.349 9.123 -8.255 1.00 0.00 C ATOM 294 CE LYS A 20 -0.988 8.658 -8.809 1.00 0.00 C ATOM 295 NZ LYS A 20 -0.933 7.260 -9.308 1.00 0.00 N ATOM 0 H LYS A 20 -1.479 8.828 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 20 0.092 6.753 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.218 8.333 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.208 9.664 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.759 8.609 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.753 7.273 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.293 10.184 -8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.119 9.011 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.748 8.735 -8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.293 9.320 -9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.659 7.124 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.006 7.073 -9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.108 6.603 -8.521 1.00 0.00 H new ATOM 309 N LYS A 21 1.771 9.256 -3.471 1.00 0.00 N ATOM 310 CA LYS A 21 3.089 9.635 -2.982 1.00 0.00 C ATOM 311 C LYS A 21 3.554 8.723 -1.855 1.00 0.00 C ATOM 312 O LYS A 21 4.744 8.432 -1.740 1.00 0.00 O ATOM 313 CB LYS A 21 3.115 11.095 -2.538 1.00 0.00 C ATOM 314 CG LYS A 21 3.226 12.063 -3.705 1.00 0.00 C ATOM 315 CD LYS A 21 4.396 11.700 -4.609 1.00 0.00 C ATOM 316 CE LYS A 21 5.712 11.663 -3.846 1.00 0.00 C ATOM 317 NZ LYS A 21 6.208 13.025 -3.515 1.00 0.00 N ATOM 0 H LYS A 21 1.026 9.912 -3.237 1.00 0.00 H new ATOM 0 HA LYS A 21 3.785 9.519 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.208 11.315 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.956 11.250 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.300 12.051 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.354 13.078 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.214 10.727 -5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.467 12.425 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.581 11.093 -2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.461 11.140 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.106 12.951 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.359 13.562 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.507 13.516 -2.925 1.00 0.00 H new ATOM 331 N ALA A 22 2.621 8.290 -1.021 1.00 0.00 N ATOM 332 CA ALA A 22 2.914 7.304 0.007 1.00 0.00 C ATOM 333 C ALA A 22 3.392 6.014 -0.643 1.00 0.00 C ATOM 334 O ALA A 22 4.338 5.378 -0.180 1.00 0.00 O ATOM 335 CB ALA A 22 1.682 7.045 0.865 1.00 0.00 C ATOM 0 H ALA A 22 1.652 8.607 -1.036 1.00 0.00 H new ATOM 0 HA ALA A 22 3.702 7.689 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.920 6.305 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.370 7.973 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.873 6.671 0.237 1.00 0.00 H new ATOM 341 N TYR A 23 2.726 5.650 -1.730 1.00 0.00 N ATOM 342 CA TYR A 23 3.102 4.496 -2.529 1.00 0.00 C ATOM 343 C TYR A 23 4.463 4.705 -3.185 1.00 0.00 C ATOM 344 O TYR A 23 5.289 3.803 -3.186 1.00 0.00 O ATOM 345 CB TYR A 23 2.011 4.218 -3.571 1.00 0.00 C ATOM 346 CG TYR A 23 2.505 3.738 -4.922 1.00 0.00 C ATOM 347 CD1 TYR A 23 2.821 2.404 -5.145 1.00 0.00 C ATOM 348 CD2 TYR A 23 2.635 4.627 -5.981 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.258 1.973 -6.382 1.00 0.00 C ATOM 350 CE2 TYR A 23 3.068 4.204 -7.218 1.00 0.00 C ATOM 351 CZ TYR A 23 3.379 2.878 -7.414 1.00 0.00 C ATOM 352 OH TYR A 23 3.808 2.457 -8.650 1.00 0.00 O ATOM 0 H TYR A 23 1.909 6.149 -2.082 1.00 0.00 H new ATOM 0 HA TYR A 23 3.192 3.625 -1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.329 3.470 -3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.433 5.130 -3.718 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.723 1.693 -4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.392 5.669 -5.832 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.503 0.933 -6.540 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.163 4.909 -8.030 1.00 0.00 H new ATOM 0 HH TYR A 23 3.836 3.220 -9.264 1.00 0.00 H new ATOM 362 N ARG A 24 4.693 5.891 -3.743 1.00 0.00 N ATOM 363 CA ARG A 24 5.962 6.217 -4.361 1.00 0.00 C ATOM 364 C ARG A 24 7.108 6.168 -3.353 1.00 0.00 C ATOM 365 O ARG A 24 8.196 5.680 -3.660 1.00 0.00 O ATOM 366 CB ARG A 24 5.868 7.594 -5.010 1.00 0.00 C ATOM 367 CG ARG A 24 6.036 7.532 -6.509 1.00 0.00 C ATOM 368 CD ARG A 24 6.093 8.911 -7.136 1.00 0.00 C ATOM 369 NE ARG A 24 6.759 8.882 -8.440 1.00 0.00 N ATOM 370 CZ ARG A 24 6.255 9.394 -9.564 1.00 0.00 C ATOM 371 NH1 ARG A 24 5.095 10.037 -9.552 1.00 0.00 N ATOM 372 NH2 ARG A 24 6.924 9.274 -10.702 1.00 0.00 N ATOM 0 H ARG A 24 4.006 6.644 -3.776 1.00 0.00 H new ATOM 0 HA ARG A 24 6.178 5.471 -5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.902 8.040 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.633 8.246 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.950 6.988 -6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.208 6.971 -6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.082 9.301 -7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.623 9.592 -6.471 1.00 0.00 H new ATOM 0 HE ARG A 24 7.676 8.438 -8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.580 10.144 -8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.718 10.425 -10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.822 8.791 -10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.541 9.665 -11.563 1.00 0.00 H new ATOM 386 N ARG A 25 6.865 6.675 -2.154 1.00 0.00 N ATOM 387 CA ARG A 25 7.845 6.592 -1.078 1.00 0.00 C ATOM 388 C ARG A 25 8.039 5.143 -0.625 1.00 0.00 C ATOM 389 O ARG A 25 9.166 4.681 -0.429 1.00 0.00 O ATOM 390 CB ARG A 25 7.389 7.455 0.097 1.00 0.00 C ATOM 391 CG ARG A 25 8.091 7.131 1.401 1.00 0.00 C ATOM 392 CD ARG A 25 7.590 8.006 2.534 1.00 0.00 C ATOM 393 NE ARG A 25 8.134 7.590 3.824 1.00 0.00 N ATOM 394 CZ ARG A 25 7.572 7.879 4.993 1.00 0.00 C ATOM 395 NH1 ARG A 25 6.498 8.657 5.039 1.00 0.00 N ATOM 396 NH2 ARG A 25 8.093 7.398 6.113 1.00 0.00 N ATOM 0 H ARG A 25 5.998 7.149 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 25 8.802 6.960 -1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.560 8.504 -0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.315 7.330 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.930 6.082 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.166 7.269 1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.865 9.043 2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.501 7.967 2.569 1.00 0.00 H new ATOM 0 HE ARG A 25 8.996 7.045 3.828 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.104 9.033 4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.067 8.879 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.924 6.807 6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.663 7.619 7.011 1.00 0.00 H new ATOM 410 N LYS A 26 6.932 4.431 -0.474 1.00 0.00 N ATOM 411 CA LYS A 26 6.968 3.016 -0.131 1.00 0.00 C ATOM 412 C LYS A 26 7.714 2.227 -1.209 1.00 0.00 C ATOM 413 O LYS A 26 8.464 1.306 -0.907 1.00 0.00 O ATOM 414 CB LYS A 26 5.540 2.482 0.053 1.00 0.00 C ATOM 415 CG LYS A 26 5.469 1.006 0.420 1.00 0.00 C ATOM 416 CD LYS A 26 6.224 0.707 1.703 1.00 0.00 C ATOM 417 CE LYS A 26 5.561 1.325 2.931 1.00 0.00 C ATOM 418 NZ LYS A 26 4.278 0.656 3.277 1.00 0.00 N ATOM 0 H LYS A 26 5.992 4.812 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 26 7.504 2.892 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.044 3.063 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.982 2.643 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.426 0.710 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.883 0.409 -0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.293 -0.373 1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.243 1.083 1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.242 1.261 3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.378 2.384 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.122 0.714 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.495 1.128 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.318 -0.342 2.989 1.00 0.00 H new ATOM 432 N ALA A 27 7.502 2.610 -2.463 1.00 0.00 N ATOM 433 CA ALA A 27 8.216 2.026 -3.589 1.00 0.00 C ATOM 434 C ALA A 27 9.717 2.252 -3.460 1.00 0.00 C ATOM 435 O ALA A 27 10.516 1.352 -3.710 1.00 0.00 O ATOM 436 CB ALA A 27 7.709 2.611 -4.898 1.00 0.00 C ATOM 0 H ALA A 27 6.832 3.332 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 27 8.030 0.952 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.252 2.165 -5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.645 2.399 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.866 3.690 -4.899 1.00 0.00 H new ATOM 442 N LEU A 28 10.086 3.459 -3.050 1.00 0.00 N ATOM 443 CA LEU A 28 11.483 3.816 -2.843 1.00 0.00 C ATOM 444 C LEU A 28 12.121 2.907 -1.800 1.00 0.00 C ATOM 445 O LEU A 28 13.289 2.540 -1.918 1.00 0.00 O ATOM 446 CB LEU A 28 11.594 5.274 -2.396 1.00 0.00 C ATOM 447 CG LEU A 28 12.536 6.140 -3.228 1.00 0.00 C ATOM 448 CD1 LEU A 28 12.075 6.179 -4.676 1.00 0.00 C ATOM 449 CD2 LEU A 28 12.612 7.544 -2.651 1.00 0.00 C ATOM 0 H LEU A 28 9.429 4.214 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 28 12.012 3.689 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.600 5.721 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.929 5.295 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 28 13.534 5.702 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.756 6.800 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.068 5.168 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.070 6.597 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.288 8.150 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.619 7.994 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.984 7.497 -1.627 1.00 0.00 H new ATOM 461 N GLN A 29 11.330 2.531 -0.803 1.00 0.00 N ATOM 462 CA GLN A 29 11.807 1.713 0.306 1.00 0.00 C ATOM 463 C GLN A 29 12.335 0.356 -0.160 1.00 0.00 C ATOM 464 O GLN A 29 13.275 -0.175 0.432 1.00 0.00 O ATOM 465 CB GLN A 29 10.678 1.497 1.312 1.00 0.00 C ATOM 466 CG GLN A 29 10.284 2.747 2.079 1.00 0.00 C ATOM 467 CD GLN A 29 11.274 3.090 3.172 1.00 0.00 C ATOM 468 OE1 GLN A 29 11.138 2.629 4.304 1.00 0.00 O ATOM 469 NE2 GLN A 29 12.272 3.893 2.847 1.00 0.00 N ATOM 0 H GLN A 29 10.344 2.783 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 29 12.633 2.250 0.772 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.803 1.117 0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.981 0.728 2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.206 3.585 1.387 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.297 2.604 2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.348 4.253 1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.967 4.152 3.547 1.00 0.00 H new ATOM 478 N TRP A 30 11.745 -0.204 -1.212 1.00 0.00 N ATOM 479 CA TRP A 30 12.189 -1.501 -1.710 1.00 0.00 C ATOM 480 C TRP A 30 12.965 -1.366 -3.016 1.00 0.00 C ATOM 481 O TRP A 30 13.322 -2.364 -3.643 1.00 0.00 O ATOM 482 CB TRP A 30 11.007 -2.469 -1.880 1.00 0.00 C ATOM 483 CG TRP A 30 9.896 -1.967 -2.760 1.00 0.00 C ATOM 484 CD1 TRP A 30 8.744 -1.366 -2.348 1.00 0.00 C ATOM 485 CD2 TRP A 30 9.820 -2.034 -4.190 1.00 0.00 C ATOM 486 NE1 TRP A 30 7.962 -1.048 -3.428 1.00 0.00 N ATOM 487 CE2 TRP A 30 8.598 -1.447 -4.569 1.00 0.00 C ATOM 488 CE3 TRP A 30 10.663 -2.529 -5.187 1.00 0.00 C ATOM 489 CZ2 TRP A 30 8.203 -1.340 -5.899 1.00 0.00 C ATOM 490 CZ3 TRP A 30 10.270 -2.424 -6.506 1.00 0.00 C ATOM 491 CH2 TRP A 30 9.049 -1.834 -6.852 1.00 0.00 C ATOM 0 H TRP A 30 10.970 0.212 -1.729 1.00 0.00 H new ATOM 0 HA TRP A 30 12.864 -1.917 -0.962 1.00 0.00 H new ATOM 0 HB2 TRP A 30 11.381 -3.406 -2.292 1.00 0.00 H new ATOM 0 HB3 TRP A 30 10.597 -2.694 -0.896 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.485 -1.169 -1.318 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.053 -0.588 -3.386 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.607 -2.987 -4.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.262 -0.883 -6.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.916 -2.804 -7.284 1.00 0.00 H new ATOM 0 HH2 TRP A 30 8.770 -1.768 -7.893 1.00 0.00 H new ATOM 502 N HIS A 31 13.230 -0.131 -3.420 1.00 0.00 N ATOM 503 CA HIS A 31 14.043 0.121 -4.603 1.00 0.00 C ATOM 504 C HIS A 31 15.506 -0.161 -4.294 1.00 0.00 C ATOM 505 O HIS A 31 15.961 0.064 -3.178 1.00 0.00 O ATOM 506 CB HIS A 31 13.883 1.567 -5.077 1.00 0.00 C ATOM 507 CG HIS A 31 12.727 1.780 -6.008 1.00 0.00 C ATOM 508 ND1 HIS A 31 12.501 2.974 -6.651 1.00 0.00 N ATOM 509 CD2 HIS A 31 11.740 0.946 -6.414 1.00 0.00 C ATOM 510 CE1 HIS A 31 11.425 2.871 -7.405 1.00 0.00 C ATOM 511 NE2 HIS A 31 10.942 1.649 -7.281 1.00 0.00 N ATOM 0 H HIS A 31 12.896 0.709 -2.948 1.00 0.00 H new ATOM 0 HA HIS A 31 13.705 -0.542 -5.400 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.759 2.212 -4.207 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.800 1.878 -5.576 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.606 -0.082 -6.111 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.009 3.655 -8.021 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.113 1.287 -7.752 1.00 0.00 H new ATOM 520 N PRO A 32 16.259 -0.643 -5.301 1.00 0.00 N ATOM 521 CA PRO A 32 17.675 -1.031 -5.153 1.00 0.00 C ATOM 522 C PRO A 32 18.536 0.093 -4.604 1.00 0.00 C ATOM 523 O PRO A 32 19.561 -0.142 -3.964 1.00 0.00 O ATOM 524 CB PRO A 32 18.110 -1.383 -6.582 1.00 0.00 C ATOM 525 CG PRO A 32 17.069 -0.778 -7.460 1.00 0.00 C ATOM 526 CD PRO A 32 15.795 -0.853 -6.679 1.00 0.00 C ATOM 0 HA PRO A 32 17.791 -1.850 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.098 -0.980 -6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.167 -2.462 -6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.317 0.254 -7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.985 -1.321 -8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.083 -0.089 -6.989 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.301 -1.817 -6.799 1.00 0.00 H new ATOM 534 N ASP A 33 18.112 1.315 -4.880 1.00 0.00 N ATOM 535 CA ASP A 33 18.812 2.503 -4.426 1.00 0.00 C ATOM 536 C ASP A 33 18.686 2.672 -2.909 1.00 0.00 C ATOM 537 O ASP A 33 19.537 3.294 -2.277 1.00 0.00 O ATOM 538 CB ASP A 33 18.255 3.727 -5.161 1.00 0.00 C ATOM 539 CG ASP A 33 19.000 5.010 -4.849 1.00 0.00 C ATOM 540 OD1 ASP A 33 20.225 5.068 -5.079 1.00 0.00 O ATOM 541 OD2 ASP A 33 18.353 5.982 -4.413 1.00 0.00 O ATOM 0 H ASP A 33 17.272 1.510 -5.425 1.00 0.00 H new ATOM 0 HA ASP A 33 19.873 2.399 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.294 3.545 -6.235 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.205 3.853 -4.897 1.00 0.00 H new ATOM 546 N LYS A 34 17.633 2.099 -2.323 1.00 0.00 N ATOM 547 CA LYS A 34 17.401 2.228 -0.886 1.00 0.00 C ATOM 548 C LYS A 34 17.403 0.879 -0.161 1.00 0.00 C ATOM 549 O LYS A 34 17.401 0.840 1.069 1.00 0.00 O ATOM 550 CB LYS A 34 16.080 2.952 -0.608 1.00 0.00 C ATOM 551 CG LYS A 34 16.235 4.442 -0.340 1.00 0.00 C ATOM 552 CD LYS A 34 16.724 5.200 -1.560 1.00 0.00 C ATOM 553 CE LYS A 34 17.106 6.628 -1.206 1.00 0.00 C ATOM 554 NZ LYS A 34 17.547 7.394 -2.397 1.00 0.00 N ATOM 0 H LYS A 34 16.933 1.546 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 34 18.232 2.816 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.415 2.814 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.597 2.487 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.277 4.853 -0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.936 4.590 0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.585 4.687 -1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.945 5.208 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.253 7.129 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.905 6.617 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.120 8.207 -2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.116 6.780 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.714 7.733 -2.920 1.00 0.00 H new ATOM 568 N ASN A 35 17.385 -0.224 -0.903 1.00 0.00 N ATOM 569 CA ASN A 35 17.458 -1.543 -0.277 1.00 0.00 C ATOM 570 C ASN A 35 18.859 -2.123 -0.469 1.00 0.00 C ATOM 571 O ASN A 35 19.433 -2.045 -1.558 1.00 0.00 O ATOM 572 CB ASN A 35 16.374 -2.495 -0.839 1.00 0.00 C ATOM 573 CG ASN A 35 16.859 -3.400 -1.962 1.00 0.00 C ATOM 574 OD1 ASN A 35 16.848 -3.027 -3.132 1.00 0.00 O ATOM 575 ND2 ASN A 35 17.249 -4.617 -1.614 1.00 0.00 N ATOM 0 H ASN A 35 17.322 -0.234 -1.921 1.00 0.00 H new ATOM 0 HA ASN A 35 17.264 -1.436 0.790 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.994 -3.115 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.537 -1.899 -1.203 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.553 -5.279 -2.328 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.245 -4.892 -0.632 1.00 0.00 H new ATOM 582 N PRO A 36 19.448 -2.672 0.604 1.00 0.00 N ATOM 583 CA PRO A 36 20.798 -3.217 0.586 1.00 0.00 C ATOM 584 C PRO A 36 20.831 -4.736 0.373 1.00 0.00 C ATOM 585 O PRO A 36 20.463 -5.228 -0.692 1.00 0.00 O ATOM 586 CB PRO A 36 21.296 -2.846 1.980 1.00 0.00 C ATOM 587 CG PRO A 36 20.074 -2.860 2.854 1.00 0.00 C ATOM 588 CD PRO A 36 18.864 -2.769 1.948 1.00 0.00 C ATOM 0 HA PRO A 36 21.402 -2.829 -0.234 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.041 -3.558 2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.769 -1.864 1.980 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.039 -3.772 3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 36 20.093 -2.024 3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.223 -3.646 2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 36 18.251 -1.899 2.183 1.00 0.00 H new ATOM 596 N ASP A 37 21.243 -5.473 1.404 1.00 0.00 N ATOM 597 CA ASP A 37 21.355 -6.928 1.316 1.00 0.00 C ATOM 598 C ASP A 37 20.009 -7.575 1.617 1.00 0.00 C ATOM 599 O ASP A 37 19.810 -8.773 1.417 1.00 0.00 O ATOM 600 CB ASP A 37 22.413 -7.435 2.301 1.00 0.00 C ATOM 601 CG ASP A 37 22.663 -8.928 2.190 1.00 0.00 C ATOM 602 OD1 ASP A 37 21.958 -9.710 2.863 1.00 0.00 O ATOM 603 OD2 ASP A 37 23.580 -9.329 1.441 1.00 0.00 O ATOM 0 H ASP A 37 21.505 -5.086 2.311 1.00 0.00 H new ATOM 0 HA ASP A 37 21.658 -7.197 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 37 23.348 -6.902 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 37 22.097 -7.200 3.317 1.00 0.00 H new ATOM 608 N ASN A 38 19.059 -6.753 2.027 1.00 0.00 N ATOM 609 CA ASN A 38 17.763 -7.244 2.460 1.00 0.00 C ATOM 610 C ASN A 38 16.813 -7.297 1.276 1.00 0.00 C ATOM 611 O ASN A 38 16.301 -6.271 0.823 1.00 0.00 O ATOM 612 CB ASN A 38 17.175 -6.338 3.548 1.00 0.00 C ATOM 613 CG ASN A 38 18.032 -6.244 4.801 1.00 0.00 C ATOM 614 OD1 ASN A 38 18.057 -5.209 5.463 1.00 0.00 O ATOM 615 ND2 ASN A 38 18.733 -7.314 5.143 1.00 0.00 N ATOM 0 H ASN A 38 19.162 -5.739 2.069 1.00 0.00 H new ATOM 0 HA ASN A 38 17.893 -8.245 2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.037 -5.337 3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.188 -6.710 3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.317 -7.295 5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.689 -8.157 4.570 1.00 0.00 H new ATOM 622 N LYS A 39 16.598 -8.499 0.769 1.00 0.00 N ATOM 623 CA LYS A 39 15.758 -8.695 -0.399 1.00 0.00 C ATOM 624 C LYS A 39 14.362 -9.117 0.027 1.00 0.00 C ATOM 625 O LYS A 39 13.378 -8.813 -0.648 1.00 0.00 O ATOM 626 CB LYS A 39 16.377 -9.745 -1.326 1.00 0.00 C ATOM 627 CG LYS A 39 17.847 -9.492 -1.640 1.00 0.00 C ATOM 628 CD LYS A 39 18.066 -8.123 -2.263 1.00 0.00 C ATOM 629 CE LYS A 39 19.548 -7.807 -2.405 1.00 0.00 C ATOM 630 NZ LYS A 39 20.223 -8.712 -3.371 1.00 0.00 N ATOM 0 H LYS A 39 16.996 -9.357 1.150 1.00 0.00 H new ATOM 0 HA LYS A 39 15.685 -7.754 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.276 -10.728 -0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.814 -9.771 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.433 -9.572 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.211 -10.263 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.590 -8.087 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.587 -7.361 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.668 -6.774 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.031 -7.891 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.214 -8.419 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.191 -9.688 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.737 -8.664 -4.289 1.00 0.00 H new ATOM 644 N GLU A 40 14.291 -9.796 1.168 1.00 0.00 N ATOM 645 CA GLU A 40 13.014 -10.226 1.728 1.00 0.00 C ATOM 646 C GLU A 40 12.130 -9.022 1.998 1.00 0.00 C ATOM 647 O GLU A 40 10.950 -9.011 1.664 1.00 0.00 O ATOM 648 CB GLU A 40 13.242 -10.981 3.037 1.00 0.00 C ATOM 649 CG GLU A 40 11.953 -11.425 3.715 1.00 0.00 C ATOM 650 CD GLU A 40 12.183 -11.959 5.112 1.00 0.00 C ATOM 651 OE1 GLU A 40 12.270 -11.146 6.057 1.00 0.00 O ATOM 652 OE2 GLU A 40 12.276 -13.191 5.277 1.00 0.00 O ATOM 0 H GLU A 40 15.104 -10.061 1.724 1.00 0.00 H new ATOM 0 HA GLU A 40 12.525 -10.883 1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.859 -11.857 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.802 -10.344 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.263 -10.583 3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.476 -12.196 3.110 1.00 0.00 H new ATOM 659 N PHE A 41 12.721 -7.995 2.581 1.00 0.00 N ATOM 660 CA PHE A 41 11.994 -6.774 2.891 1.00 0.00 C ATOM 661 C PHE A 41 11.533 -6.078 1.618 1.00 0.00 C ATOM 662 O PHE A 41 10.430 -5.544 1.566 1.00 0.00 O ATOM 663 CB PHE A 41 12.846 -5.835 3.741 1.00 0.00 C ATOM 664 CG PHE A 41 13.134 -6.381 5.111 1.00 0.00 C ATOM 665 CD1 PHE A 41 12.184 -6.297 6.115 1.00 0.00 C ATOM 666 CD2 PHE A 41 14.349 -6.982 5.391 1.00 0.00 C ATOM 667 CE1 PHE A 41 12.440 -6.804 7.373 1.00 0.00 C ATOM 668 CE2 PHE A 41 14.611 -7.491 6.647 1.00 0.00 C ATOM 669 CZ PHE A 41 13.656 -7.401 7.640 1.00 0.00 C ATOM 0 H PHE A 41 13.705 -7.981 2.851 1.00 0.00 H new ATOM 0 HA PHE A 41 11.110 -7.047 3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 41 13.788 -5.643 3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.335 -4.877 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.232 -5.829 5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 41 15.100 -7.053 4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.690 -6.734 8.147 1.00 0.00 H new ATOM 0 HE2 PHE A 41 15.562 -7.959 6.853 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.860 -7.797 8.624 1.00 0.00 H new ATOM 679 N ALA A 42 12.371 -6.114 0.587 1.00 0.00 N ATOM 680 CA ALA A 42 12.046 -5.470 -0.682 1.00 0.00 C ATOM 681 C ALA A 42 10.816 -6.108 -1.326 1.00 0.00 C ATOM 682 O ALA A 42 9.922 -5.406 -1.792 1.00 0.00 O ATOM 683 CB ALA A 42 13.236 -5.513 -1.633 1.00 0.00 C ATOM 0 H ALA A 42 13.278 -6.581 0.604 1.00 0.00 H new ATOM 0 HA ALA A 42 11.812 -4.426 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.969 -5.027 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.081 -4.993 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.510 -6.550 -1.826 1.00 0.00 H new ATOM 689 N GLU A 43 10.754 -7.435 -1.336 1.00 0.00 N ATOM 690 CA GLU A 43 9.606 -8.122 -1.922 1.00 0.00 C ATOM 691 C GLU A 43 8.359 -7.926 -1.059 1.00 0.00 C ATOM 692 O GLU A 43 7.258 -7.760 -1.583 1.00 0.00 O ATOM 693 CB GLU A 43 9.887 -9.613 -2.149 1.00 0.00 C ATOM 694 CG GLU A 43 10.206 -10.391 -0.890 1.00 0.00 C ATOM 695 CD GLU A 43 10.377 -11.868 -1.156 1.00 0.00 C ATOM 696 OE1 GLU A 43 11.502 -12.287 -1.500 1.00 0.00 O ATOM 697 OE2 GLU A 43 9.386 -12.617 -1.038 1.00 0.00 O ATOM 0 H GLU A 43 11.472 -8.049 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 43 9.422 -7.676 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.019 -10.064 -2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.722 -9.711 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.119 -9.997 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.407 -10.245 -0.163 1.00 0.00 H new ATOM 704 N LYS A 44 8.538 -7.935 0.262 1.00 0.00 N ATOM 705 CA LYS A 44 7.426 -7.712 1.183 1.00 0.00 C ATOM 706 C LYS A 44 6.852 -6.312 1.016 1.00 0.00 C ATOM 707 O LYS A 44 5.639 -6.139 0.935 1.00 0.00 O ATOM 708 CB LYS A 44 7.866 -7.911 2.631 1.00 0.00 C ATOM 709 CG LYS A 44 8.267 -9.336 2.962 1.00 0.00 C ATOM 710 CD LYS A 44 8.594 -9.481 4.436 1.00 0.00 C ATOM 711 CE LYS A 44 7.362 -9.250 5.296 1.00 0.00 C ATOM 712 NZ LYS A 44 7.668 -9.307 6.748 1.00 0.00 N ATOM 0 H LYS A 44 9.438 -8.094 0.715 1.00 0.00 H new ATOM 0 HA LYS A 44 6.654 -8.443 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.707 -7.250 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.053 -7.610 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.457 -10.016 2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.132 -9.622 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.993 -10.477 4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.372 -8.768 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.931 -8.278 5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.609 -10.000 5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.797 -9.144 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.054 -10.243 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.367 -8.574 6.985 1.00 0.00 H new ATOM 726 N LYS A 45 7.730 -5.315 0.953 1.00 0.00 N ATOM 727 CA LYS A 45 7.300 -3.935 0.785 1.00 0.00 C ATOM 728 C LYS A 45 6.668 -3.751 -0.585 1.00 0.00 C ATOM 729 O LYS A 45 5.721 -2.983 -0.744 1.00 0.00 O ATOM 730 CB LYS A 45 8.467 -2.958 0.980 1.00 0.00 C ATOM 731 CG LYS A 45 9.011 -2.951 2.401 1.00 0.00 C ATOM 732 CD LYS A 45 7.886 -2.861 3.410 1.00 0.00 C ATOM 733 CE LYS A 45 8.390 -2.832 4.841 1.00 0.00 C ATOM 734 NZ LYS A 45 9.137 -1.589 5.162 1.00 0.00 N ATOM 0 H LYS A 45 8.741 -5.439 1.016 1.00 0.00 H new ATOM 0 HA LYS A 45 6.556 -3.714 1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.270 -3.220 0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.138 -1.952 0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.591 -3.857 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.689 -2.108 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.300 -1.963 3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.217 -3.712 3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.544 -2.928 5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.036 -3.693 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.370 -1.576 6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.015 -1.558 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.550 -0.762 4.931 1.00 0.00 H new ATOM 748 N PHE A 46 7.196 -4.471 -1.566 1.00 0.00 N ATOM 749 CA PHE A 46 6.655 -4.451 -2.918 1.00 0.00 C ATOM 750 C PHE A 46 5.203 -4.927 -2.936 1.00 0.00 C ATOM 751 O PHE A 46 4.328 -4.253 -3.482 1.00 0.00 O ATOM 752 CB PHE A 46 7.505 -5.326 -3.850 1.00 0.00 C ATOM 753 CG PHE A 46 6.903 -5.529 -5.215 1.00 0.00 C ATOM 754 CD1 PHE A 46 6.859 -4.491 -6.130 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.379 -6.759 -5.579 1.00 0.00 C ATOM 756 CE1 PHE A 46 6.305 -4.674 -7.382 1.00 0.00 C ATOM 757 CE2 PHE A 46 5.825 -6.950 -6.830 1.00 0.00 C ATOM 758 CZ PHE A 46 5.787 -5.906 -7.732 1.00 0.00 C ATOM 0 H PHE A 46 8.005 -5.081 -1.448 1.00 0.00 H new ATOM 0 HA PHE A 46 6.684 -3.421 -3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.489 -4.871 -3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.655 -6.299 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.263 -3.526 -5.862 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.404 -7.578 -4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.277 -3.855 -8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.422 -7.915 -7.102 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.353 -6.052 -8.710 1.00 0.00 H new ATOM 768 N LYS A 47 4.938 -6.082 -2.329 1.00 0.00 N ATOM 769 CA LYS A 47 3.594 -6.638 -2.352 1.00 0.00 C ATOM 770 C LYS A 47 2.636 -5.795 -1.514 1.00 0.00 C ATOM 771 O LYS A 47 1.528 -5.500 -1.960 1.00 0.00 O ATOM 772 CB LYS A 47 3.566 -8.105 -1.895 1.00 0.00 C ATOM 773 CG LYS A 47 3.958 -8.329 -0.444 1.00 0.00 C ATOM 774 CD LYS A 47 3.707 -9.766 -0.002 1.00 0.00 C ATOM 775 CE LYS A 47 2.252 -10.014 0.398 1.00 0.00 C ATOM 776 NZ LYS A 47 1.287 -9.790 -0.716 1.00 0.00 N ATOM 0 H LYS A 47 5.626 -6.641 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 47 3.259 -6.614 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.562 -8.500 -2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.237 -8.682 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.013 -8.088 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.393 -7.649 0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.978 -10.444 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.357 -10.001 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.151 -11.038 0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.994 -9.358 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.407 -10.309 -0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.079 -8.774 -0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.701 -10.130 -1.607 1.00 0.00 H new ATOM 790 N GLU A 48 3.075 -5.368 -0.328 1.00 0.00 N ATOM 791 CA GLU A 48 2.189 -4.646 0.575 1.00 0.00 C ATOM 792 C GLU A 48 1.771 -3.311 -0.024 1.00 0.00 C ATOM 793 O GLU A 48 0.628 -2.898 0.132 1.00 0.00 O ATOM 794 CB GLU A 48 2.821 -4.436 1.960 1.00 0.00 C ATOM 795 CG GLU A 48 4.070 -3.574 1.957 1.00 0.00 C ATOM 796 CD GLU A 48 4.488 -3.148 3.348 1.00 0.00 C ATOM 797 OE1 GLU A 48 4.841 -4.022 4.168 1.00 0.00 O ATOM 798 OE2 GLU A 48 4.461 -1.931 3.629 1.00 0.00 O ATOM 0 H GLU A 48 4.023 -5.508 0.022 1.00 0.00 H new ATOM 0 HA GLU A 48 1.301 -5.264 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.081 -3.979 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.067 -5.409 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.886 -4.125 1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.894 -2.688 1.347 1.00 0.00 H new ATOM 805 N VAL A 49 2.679 -2.638 -0.727 1.00 0.00 N ATOM 806 CA VAL A 49 2.329 -1.370 -1.348 1.00 0.00 C ATOM 807 C VAL A 49 1.416 -1.587 -2.547 1.00 0.00 C ATOM 808 O VAL A 49 0.470 -0.830 -2.754 1.00 0.00 O ATOM 809 CB VAL A 49 3.564 -0.539 -1.771 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.366 -1.220 -2.872 1.00 0.00 C ATOM 811 CG2 VAL A 49 3.133 0.848 -2.208 1.00 0.00 C ATOM 0 H VAL A 49 3.641 -2.943 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 49 1.801 -0.796 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 49 4.218 -0.457 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.222 -0.599 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.716 -2.191 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.735 -1.358 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.009 1.425 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.450 0.767 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.630 1.350 -1.381 1.00 0.00 H new ATOM 821 N ALA A 50 1.677 -2.634 -3.319 1.00 0.00 N ATOM 822 CA ALA A 50 0.893 -2.893 -4.514 1.00 0.00 C ATOM 823 C ALA A 50 -0.560 -3.176 -4.165 1.00 0.00 C ATOM 824 O ALA A 50 -1.474 -2.619 -4.776 1.00 0.00 O ATOM 825 CB ALA A 50 1.484 -4.057 -5.288 1.00 0.00 C ATOM 0 H ALA A 50 2.419 -3.311 -3.140 1.00 0.00 H new ATOM 0 HA ALA A 50 0.923 -2.000 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.887 -4.241 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.507 -3.819 -5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.483 -4.949 -4.661 1.00 0.00 H new ATOM 831 N GLU A 51 -0.768 -4.012 -3.156 1.00 0.00 N ATOM 832 CA GLU A 51 -2.111 -4.381 -2.732 1.00 0.00 C ATOM 833 C GLU A 51 -2.801 -3.219 -2.024 1.00 0.00 C ATOM 834 O GLU A 51 -3.964 -2.919 -2.288 1.00 0.00 O ATOM 835 CB GLU A 51 -2.059 -5.615 -1.819 1.00 0.00 C ATOM 836 CG GLU A 51 -1.188 -5.426 -0.587 1.00 0.00 C ATOM 837 CD GLU A 51 -0.959 -6.713 0.177 1.00 0.00 C ATOM 838 OE1 GLU A 51 -0.134 -7.537 -0.271 1.00 0.00 O ATOM 839 OE2 GLU A 51 -1.603 -6.912 1.228 1.00 0.00 O ATOM 0 H GLU A 51 -0.021 -4.448 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.694 -4.626 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.072 -5.865 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.685 -6.464 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.226 -5.013 -0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.656 -4.696 0.074 1.00 0.00 H new ATOM 846 N ALA A 52 -2.059 -2.545 -1.157 1.00 0.00 N ATOM 847 CA ALA A 52 -2.619 -1.509 -0.306 1.00 0.00 C ATOM 848 C ALA A 52 -2.897 -0.223 -1.073 1.00 0.00 C ATOM 849 O ALA A 52 -3.936 0.413 -0.886 1.00 0.00 O ATOM 850 CB ALA A 52 -1.688 -1.242 0.855 1.00 0.00 C ATOM 0 H ALA A 52 -1.060 -2.700 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.577 -1.869 0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.112 -0.464 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.560 -2.155 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.720 -0.914 0.477 1.00 0.00 H new ATOM 856 N TYR A 53 -1.970 0.168 -1.936 1.00 0.00 N ATOM 857 CA TYR A 53 -2.153 1.368 -2.729 1.00 0.00 C ATOM 858 C TYR A 53 -3.230 1.143 -3.784 1.00 0.00 C ATOM 859 O TYR A 53 -4.003 2.051 -4.079 1.00 0.00 O ATOM 860 CB TYR A 53 -0.818 1.822 -3.350 1.00 0.00 C ATOM 861 CG TYR A 53 -0.957 2.620 -4.634 1.00 0.00 C ATOM 862 CD1 TYR A 53 -1.216 3.985 -4.605 1.00 0.00 C ATOM 863 CD2 TYR A 53 -0.823 2.006 -5.873 1.00 0.00 C ATOM 864 CE1 TYR A 53 -1.338 4.713 -5.773 1.00 0.00 C ATOM 865 CE2 TYR A 53 -0.943 2.728 -7.046 1.00 0.00 C ATOM 866 CZ TYR A 53 -1.201 4.080 -6.990 1.00 0.00 C ATOM 867 OH TYR A 53 -1.320 4.803 -8.157 1.00 0.00 O ATOM 0 H TYR A 53 -1.093 -0.325 -2.102 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.492 2.175 -2.079 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.279 2.425 -2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.207 0.942 -3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.324 4.485 -3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.622 0.946 -5.921 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.540 5.773 -5.733 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.835 2.235 -8.001 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.195 4.207 -8.925 1.00 0.00 H new ATOM 877 N GLU A 54 -3.299 -0.068 -4.330 1.00 0.00 N ATOM 878 CA GLU A 54 -4.334 -0.383 -5.308 1.00 0.00 C ATOM 879 C GLU A 54 -5.722 -0.301 -4.681 1.00 0.00 C ATOM 880 O GLU A 54 -6.601 0.372 -5.206 1.00 0.00 O ATOM 881 CB GLU A 54 -4.126 -1.773 -5.916 1.00 0.00 C ATOM 882 CG GLU A 54 -5.216 -2.168 -6.903 1.00 0.00 C ATOM 883 CD GLU A 54 -4.958 -3.500 -7.572 1.00 0.00 C ATOM 884 OE1 GLU A 54 -5.124 -4.549 -6.914 1.00 0.00 O ATOM 885 OE2 GLU A 54 -4.601 -3.509 -8.767 1.00 0.00 O ATOM 0 H GLU A 54 -2.662 -0.835 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.259 0.358 -6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.161 -1.800 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.087 -2.510 -5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.172 -2.210 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.303 -1.395 -7.667 1.00 0.00 H new ATOM 892 N VAL A 55 -5.907 -0.963 -3.541 1.00 0.00 N ATOM 893 CA VAL A 55 -7.221 -1.027 -2.908 1.00 0.00 C ATOM 894 C VAL A 55 -7.715 0.360 -2.497 1.00 0.00 C ATOM 895 O VAL A 55 -8.889 0.676 -2.669 1.00 0.00 O ATOM 896 CB VAL A 55 -7.238 -1.992 -1.688 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.264 -1.556 -0.606 1.00 0.00 C ATOM 898 CG2 VAL A 55 -8.642 -2.119 -1.113 1.00 0.00 C ATOM 0 H VAL A 55 -5.170 -1.459 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.905 -1.427 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.917 -2.969 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.308 -2.257 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.253 -1.538 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.532 -0.559 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.626 -2.799 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.992 -1.139 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.314 -2.510 -1.877 1.00 0.00 H new ATOM 908 N LEU A 56 -6.825 1.184 -1.957 1.00 0.00 N ATOM 909 CA LEU A 56 -7.212 2.514 -1.508 1.00 0.00 C ATOM 910 C LEU A 56 -7.419 3.482 -2.679 1.00 0.00 C ATOM 911 O LEU A 56 -8.224 4.409 -2.587 1.00 0.00 O ATOM 912 CB LEU A 56 -6.191 3.062 -0.501 1.00 0.00 C ATOM 913 CG LEU A 56 -6.589 4.372 0.187 1.00 0.00 C ATOM 914 CD1 LEU A 56 -7.966 4.255 0.823 1.00 0.00 C ATOM 915 CD2 LEU A 56 -5.565 4.754 1.236 1.00 0.00 C ATOM 0 H LEU A 56 -5.840 0.957 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.175 2.423 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.019 2.306 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.243 3.215 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.624 5.153 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.226 5.198 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.704 4.025 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.957 3.458 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.864 5.687 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.501 3.966 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.591 4.885 0.764 1.00 0.00 H new ATOM 927 N SER A 57 -6.712 3.264 -3.779 1.00 0.00 N ATOM 928 CA SER A 57 -6.841 4.135 -4.940 1.00 0.00 C ATOM 929 C SER A 57 -7.999 3.692 -5.832 1.00 0.00 C ATOM 930 O SER A 57 -8.515 4.478 -6.637 1.00 0.00 O ATOM 931 CB SER A 57 -5.540 4.150 -5.743 1.00 0.00 C ATOM 932 OG SER A 57 -4.456 4.585 -4.942 1.00 0.00 O ATOM 0 H SER A 57 -6.048 2.498 -3.893 1.00 0.00 H new ATOM 0 HA SER A 57 -7.049 5.143 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.335 3.151 -6.129 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.648 4.809 -6.605 1.00 0.00 H new ATOM 0 HG SER A 57 -4.067 3.817 -4.473 1.00 0.00 H new ATOM 938 N ASP A 58 -8.423 2.443 -5.676 1.00 0.00 N ATOM 939 CA ASP A 58 -9.479 1.896 -6.516 1.00 0.00 C ATOM 940 C ASP A 58 -10.796 1.862 -5.769 1.00 0.00 C ATOM 941 O ASP A 58 -10.913 1.273 -4.697 1.00 0.00 O ATOM 942 CB ASP A 58 -9.134 0.496 -7.025 1.00 0.00 C ATOM 943 CG ASP A 58 -10.292 -0.133 -7.778 1.00 0.00 C ATOM 944 OD1 ASP A 58 -10.990 0.587 -8.526 1.00 0.00 O ATOM 945 OD2 ASP A 58 -10.530 -1.344 -7.602 1.00 0.00 O ATOM 0 H ASP A 58 -8.054 1.795 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.574 2.555 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.263 0.551 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.861 -0.139 -6.183 1.00 0.00 H new ATOM 950 N LYS A 59 -11.785 2.495 -6.368 1.00 0.00 N ATOM 951 CA LYS A 59 -13.089 2.655 -5.754 1.00 0.00 C ATOM 952 C LYS A 59 -13.771 1.307 -5.679 1.00 0.00 C ATOM 953 O LYS A 59 -14.546 1.031 -4.768 1.00 0.00 O ATOM 954 CB LYS A 59 -13.951 3.653 -6.543 1.00 0.00 C ATOM 955 CG LYS A 59 -13.408 5.080 -6.545 1.00 0.00 C ATOM 956 CD LYS A 59 -12.141 5.199 -7.379 1.00 0.00 C ATOM 957 CE LYS A 59 -11.419 6.515 -7.136 1.00 0.00 C ATOM 958 NZ LYS A 59 -10.084 6.538 -7.791 1.00 0.00 N ATOM 0 H LYS A 59 -11.708 2.913 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.961 3.054 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.037 3.307 -7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.957 3.659 -6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.167 5.757 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.200 5.392 -5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.473 4.370 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.394 5.114 -8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.025 7.338 -7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.301 6.673 -6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.635 7.463 -7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.486 5.789 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.196 6.378 -8.813 1.00 0.00 H new ATOM 972 N HIS A 60 -13.460 0.476 -6.655 1.00 0.00 N ATOM 973 CA HIS A 60 -14.036 -0.863 -6.731 1.00 0.00 C ATOM 974 C HIS A 60 -13.485 -1.763 -5.631 1.00 0.00 C ATOM 975 O HIS A 60 -14.232 -2.495 -4.982 1.00 0.00 O ATOM 976 CB HIS A 60 -13.790 -1.486 -8.102 1.00 0.00 C ATOM 977 CG HIS A 60 -14.424 -0.717 -9.214 1.00 0.00 C ATOM 978 ND1 HIS A 60 -15.773 -0.450 -9.267 1.00 0.00 N ATOM 979 CD2 HIS A 60 -13.885 -0.134 -10.306 1.00 0.00 C ATOM 980 CE1 HIS A 60 -16.037 0.262 -10.344 1.00 0.00 C ATOM 981 NE2 HIS A 60 -14.907 0.471 -10.993 1.00 0.00 N ATOM 0 H HIS A 60 -12.811 0.700 -7.410 1.00 0.00 H new ATOM 0 HA HIS A 60 -15.112 -0.768 -6.585 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -12.716 -1.551 -8.278 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -14.176 -2.505 -8.106 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -16.462 -0.756 -8.579 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -12.842 -0.142 -10.587 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -17.013 0.615 -10.645 1.00 0.00 H new ATOM 990 N LYS A 61 -12.178 -1.699 -5.416 1.00 0.00 N ATOM 991 CA LYS A 61 -11.551 -2.430 -4.326 1.00 0.00 C ATOM 992 C LYS A 61 -12.049 -1.887 -2.994 1.00 0.00 C ATOM 993 O LYS A 61 -12.218 -2.631 -2.025 1.00 0.00 O ATOM 994 CB LYS A 61 -10.028 -2.321 -4.410 1.00 0.00 C ATOM 995 CG LYS A 61 -9.331 -3.673 -4.391 1.00 0.00 C ATOM 996 CD LYS A 61 -9.485 -4.403 -5.714 1.00 0.00 C ATOM 997 CE LYS A 61 -8.660 -3.745 -6.807 1.00 0.00 C ATOM 998 NZ LYS A 61 -8.879 -4.381 -8.130 1.00 0.00 N ATOM 0 H LYS A 61 -11.533 -1.148 -5.982 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.820 -3.483 -4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.757 -1.792 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.666 -1.721 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.272 -3.533 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.744 -4.284 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.175 -5.441 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.535 -4.415 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.916 -2.687 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.603 -3.803 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.297 -3.901 -8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.611 -5.385 -8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.883 -4.303 -8.391 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.295 -0.582 -2.965 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.911 0.055 -1.813 1.00 0.00 C ATOM 1014 C ARG A 62 -14.278 -0.552 -1.532 1.00 0.00 C ATOM 1015 O ARG A 62 -14.612 -0.806 -0.382 1.00 0.00 O ATOM 1016 CB ARG A 62 -13.035 1.562 -2.034 1.00 0.00 C ATOM 1017 CG ARG A 62 -11.781 2.341 -1.666 1.00 0.00 C ATOM 1018 CD ARG A 62 -11.620 2.442 -0.156 1.00 0.00 C ATOM 1019 NE ARG A 62 -12.712 3.207 0.450 1.00 0.00 N ATOM 1020 CZ ARG A 62 -13.418 2.803 1.508 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -13.152 1.638 2.087 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -14.392 3.564 1.993 1.00 0.00 N ATOM 0 H ARG A 62 -12.075 0.055 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.272 -0.116 -0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.273 1.748 -3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.871 1.939 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.907 1.852 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.831 3.341 -2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.592 1.442 0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.667 2.917 0.078 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.949 4.109 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.405 1.047 1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.695 1.334 2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.603 4.461 1.557 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.929 3.251 2.802 1.00 0.00 H new ATOM 1036 N GLU A 63 -15.053 -0.807 -2.584 1.00 0.00 N ATOM 1037 CA GLU A 63 -16.373 -1.418 -2.434 1.00 0.00 C ATOM 1038 C GLU A 63 -16.262 -2.797 -1.786 1.00 0.00 C ATOM 1039 O GLU A 63 -17.035 -3.137 -0.887 1.00 0.00 O ATOM 1040 CB GLU A 63 -17.060 -1.551 -3.795 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.303 -0.225 -4.493 1.00 0.00 C ATOM 1042 CD GLU A 63 -17.836 -0.394 -5.902 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -17.026 -0.532 -6.841 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -19.069 -0.374 -6.084 1.00 0.00 O ATOM 0 H GLU A 63 -14.791 -0.601 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.969 -0.771 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.449 -2.183 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -18.014 -2.060 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -18.011 0.364 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.371 0.339 -4.527 1.00 0.00 H new ATOM 1051 N ILE A 64 -15.286 -3.577 -2.232 1.00 0.00 N ATOM 1052 CA ILE A 64 -15.076 -4.919 -1.698 1.00 0.00 C ATOM 1053 C ILE A 64 -14.613 -4.858 -0.243 1.00 0.00 C ATOM 1054 O ILE A 64 -15.135 -5.572 0.613 1.00 0.00 O ATOM 1055 CB ILE A 64 -14.061 -5.725 -2.557 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -14.754 -6.353 -3.776 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -13.380 -6.815 -1.734 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -15.336 -5.358 -4.756 1.00 0.00 C ATOM 0 H ILE A 64 -14.627 -3.305 -2.962 1.00 0.00 H new ATOM 0 HA ILE A 64 -16.033 -5.439 -1.738 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.300 -5.025 -2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -14.035 -6.982 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -15.553 -7.007 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -12.677 -7.360 -2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.844 -6.360 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.132 -7.504 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.804 -5.893 -5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.082 -4.745 -4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.541 -4.719 -5.141 1.00 0.00 H new ATOM 1070 N TYR A 65 -13.666 -3.970 0.042 1.00 0.00 N ATOM 1071 CA TYR A 65 -13.148 -3.808 1.396 1.00 0.00 C ATOM 1072 C TYR A 65 -14.233 -3.263 2.319 1.00 0.00 C ATOM 1073 O TYR A 65 -14.306 -3.616 3.498 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.938 -2.867 1.389 1.00 0.00 C ATOM 1075 CG TYR A 65 -11.330 -2.643 2.757 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -10.466 -3.577 3.315 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -11.627 -1.501 3.493 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -9.920 -3.382 4.568 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -11.081 -1.299 4.745 1.00 0.00 C ATOM 1080 CZ TYR A 65 -10.230 -2.242 5.277 1.00 0.00 C ATOM 1081 OH TYR A 65 -9.693 -2.048 6.527 1.00 0.00 O ATOM 0 H TYR A 65 -13.241 -3.351 -0.648 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.834 -4.783 1.767 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.176 -3.275 0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -12.240 -1.905 0.974 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.218 -4.470 2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.295 -0.761 3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.253 -4.119 4.990 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.320 -0.406 5.304 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.011 -1.195 6.891 1.00 0.00 H new ATOM 1091 N ASP A 66 -15.071 -2.402 1.766 1.00 0.00 N ATOM 1092 CA ASP A 66 -16.131 -1.750 2.521 1.00 0.00 C ATOM 1093 C ASP A 66 -17.150 -2.755 3.039 1.00 0.00 C ATOM 1094 O ASP A 66 -17.540 -2.713 4.205 1.00 0.00 O ATOM 1095 CB ASP A 66 -16.833 -0.724 1.633 1.00 0.00 C ATOM 1096 CG ASP A 66 -17.896 0.060 2.369 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -17.534 0.920 3.199 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -19.094 -0.161 2.103 1.00 0.00 O ATOM 0 H ASP A 66 -15.037 -2.135 0.782 1.00 0.00 H new ATOM 0 HA ASP A 66 -15.678 -1.256 3.380 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.093 -0.033 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.288 -1.235 0.785 1.00 0.00 H new ATOM 1103 N ARG A 67 -17.570 -3.669 2.177 1.00 0.00 N ATOM 1104 CA ARG A 67 -18.612 -4.620 2.541 1.00 0.00 C ATOM 1105 C ARG A 67 -18.049 -5.886 3.195 1.00 0.00 C ATOM 1106 O ARG A 67 -18.638 -6.414 4.136 1.00 0.00 O ATOM 1107 CB ARG A 67 -19.434 -4.977 1.306 1.00 0.00 C ATOM 1108 CG ARG A 67 -18.669 -5.781 0.273 1.00 0.00 C ATOM 1109 CD ARG A 67 -19.221 -5.556 -1.117 1.00 0.00 C ATOM 1110 NE ARG A 67 -18.656 -6.490 -2.086 1.00 0.00 N ATOM 1111 CZ ARG A 67 -18.992 -6.531 -3.373 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -19.874 -5.668 -3.868 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -18.437 -7.435 -4.167 1.00 0.00 N ATOM 0 H ARG A 67 -17.210 -3.773 1.228 1.00 0.00 H new ATOM 0 HA ARG A 67 -19.251 -4.142 3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -20.312 -5.544 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.795 -4.058 0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.616 -5.501 0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.723 -6.841 0.521 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.305 -5.664 -1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.008 -4.534 -1.431 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.957 -7.155 -1.755 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.299 -4.968 -3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -20.126 -5.706 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -17.756 -8.095 -3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -18.691 -7.471 -5.154 1.00 0.00 H new ATOM 1127 N TYR A 68 -16.902 -6.360 2.722 1.00 0.00 N ATOM 1128 CA TYR A 68 -16.386 -7.654 3.162 1.00 0.00 C ATOM 1129 C TYR A 68 -15.284 -7.491 4.209 1.00 0.00 C ATOM 1130 O TYR A 68 -14.600 -8.448 4.563 1.00 0.00 O ATOM 1131 CB TYR A 68 -15.874 -8.456 1.961 1.00 0.00 C ATOM 1132 CG TYR A 68 -15.917 -9.953 2.173 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -17.133 -10.618 2.258 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -14.751 -10.700 2.290 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -17.188 -11.982 2.451 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -14.799 -12.067 2.484 1.00 0.00 C ATOM 1137 CZ TYR A 68 -16.022 -12.703 2.563 1.00 0.00 C ATOM 1138 OH TYR A 68 -16.079 -14.065 2.754 1.00 0.00 O ATOM 0 H TYR A 68 -16.316 -5.876 2.042 1.00 0.00 H new ATOM 0 HA TYR A 68 -17.205 -8.201 3.629 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -16.471 -8.204 1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -14.848 -8.157 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -18.052 -10.057 2.171 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.793 -10.205 2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -18.143 -12.482 2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -13.885 -12.635 2.573 1.00 0.00 H new ATOM 0 HH TYR A 68 -15.170 -14.426 2.812 1.00 0.00 H new ATOM 1148 N GLY A 69 -15.112 -6.272 4.696 1.00 0.00 N ATOM 1149 CA GLY A 69 -14.157 -6.029 5.761 1.00 0.00 C ATOM 1150 C GLY A 69 -14.691 -6.481 7.097 1.00 0.00 C ATOM 1151 O GLY A 69 -14.069 -7.281 7.798 1.00 0.00 O ATOM 0 H GLY A 69 -15.616 -5.445 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.227 -6.554 5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.921 -4.966 5.803 1.00 0.00 H new ATOM 1155 N ARG A 70 -15.846 -5.943 7.452 1.00 0.00 N ATOM 1156 CA ARG A 70 -16.525 -6.299 8.692 1.00 0.00 C ATOM 1157 C ARG A 70 -17.010 -7.746 8.685 1.00 0.00 C ATOM 1158 O ARG A 70 -16.984 -8.414 9.719 1.00 0.00 O ATOM 1159 CB ARG A 70 -17.706 -5.360 8.931 1.00 0.00 C ATOM 1160 CG ARG A 70 -17.288 -3.923 9.182 1.00 0.00 C ATOM 1161 CD ARG A 70 -16.503 -3.795 10.480 1.00 0.00 C ATOM 1162 NE ARG A 70 -17.289 -4.232 11.630 1.00 0.00 N ATOM 1163 CZ ARG A 70 -16.794 -4.937 12.647 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -15.516 -5.303 12.652 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -17.587 -5.292 13.652 1.00 0.00 N ATOM 0 H ARG A 70 -16.340 -5.249 6.892 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.801 -6.196 9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -18.368 -5.393 8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -18.280 -5.719 9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -16.680 -3.568 8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -18.172 -3.287 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.592 -4.389 10.415 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.198 -2.758 10.620 1.00 0.00 H new ATOM 0 HE ARG A 70 -18.278 -3.982 11.657 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.908 -5.044 11.875 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.143 -5.842 13.433 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -18.571 -5.025 13.644 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -17.211 -5.832 14.432 1.00 0.00 H new ATOM 1179 N GLU A 71 -17.461 -8.220 7.529 1.00 0.00 N ATOM 1180 CA GLU A 71 -18.012 -9.555 7.414 1.00 0.00 C ATOM 1181 C GLU A 71 -16.912 -10.608 7.482 1.00 0.00 C ATOM 1182 O GLU A 71 -16.278 -10.882 6.444 1.00 0.00 O ATOM 1183 CB GLU A 71 -18.789 -9.689 6.107 1.00 0.00 C ATOM 1184 CG GLU A 71 -19.693 -10.899 6.092 1.00 0.00 C ATOM 1185 CD GLU A 71 -20.569 -10.975 4.861 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -21.571 -10.233 4.795 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -20.270 -11.789 3.961 1.00 0.00 O ATOM 0 H GLU A 71 -17.453 -7.692 6.656 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.690 -9.718 8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -19.387 -8.791 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.087 -9.754 5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.083 -11.800 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -20.326 -10.883 6.979 1.00 0.00 H new