USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 5 GLN : amide:sc= 1.72 K(o=3,f=0.55) USER MOD Set 1.2: A 15 GLN : amide:sc= 1.29 K(o=3,f=-4.5!) USER MOD Single : A 1 GLY N :NH3+ 176:sc= 1.24 (180deg=1.23) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.242 USER MOD Single : A 12 SER OG : rot 180:sc= 0.286 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.813 K(o=0.81,f=-0.057) USER MOD Single : B 1 PHE N :NH3+ 133:sc= 0.0186 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.308 K(o=-0.31,f=-0.95) USER MOD Single : B 4 GLN : amide:sc= 0.773 K(o=0.77,f=-0.29) USER MOD Single : B 5 HIS : no HE2:sc= 0.932 K(o=0.93,f=-2.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.4!) USER MOD Single : B 16 TYR OH : rot -35:sc= 0.116 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 46:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.520 11.348 -2.086 1.00 0.00 N ATOM 2 CA GLY A 1 -2.817 9.902 -1.943 1.00 0.00 C ATOM 3 C GLY A 1 -1.933 9.068 -2.859 1.00 0.00 C ATOM 4 O GLY A 1 -1.050 9.612 -3.520 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.182 11.898 -1.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.546 11.535 -1.774 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.624 11.627 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.664 9.597 -0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.865 9.718 -2.178 1.00 0.00 H new ATOM 10 N ILE A 2 -2.135 7.745 -2.919 1.00 0.00 N ATOM 11 CA ILE A 2 -1.171 6.833 -3.584 1.00 0.00 C ATOM 12 C ILE A 2 -0.988 7.104 -5.088 1.00 0.00 C ATOM 13 O ILE A 2 0.138 7.077 -5.571 1.00 0.00 O ATOM 14 CB ILE A 2 -1.504 5.350 -3.278 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.319 4.442 -3.677 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.808 4.886 -3.959 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.376 3.035 -3.076 1.00 0.00 C ATOM 0 H ILE A 2 -2.949 7.277 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.195 7.050 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.667 5.268 -2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.289 4.360 -4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.611 4.920 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.995 3.841 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.640 5.496 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.712 4.992 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.492 2.463 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.374 3.104 -1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.287 2.535 -3.406 1.00 0.00 H new ATOM 29 N VAL A 3 -2.062 7.439 -5.810 1.00 0.00 N ATOM 30 CA VAL A 3 -2.017 7.703 -7.267 1.00 0.00 C ATOM 31 C VAL A 3 -1.194 8.961 -7.582 1.00 0.00 C ATOM 32 O VAL A 3 -0.479 8.998 -8.580 1.00 0.00 O ATOM 33 CB VAL A 3 -3.431 7.806 -7.882 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.391 8.003 -9.407 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.249 6.545 -7.566 1.00 0.00 C ATOM 0 H VAL A 3 -2.994 7.537 -5.407 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.522 6.848 -7.727 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.902 8.682 -7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.409 8.070 -9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.853 8.922 -9.641 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.883 7.157 -9.870 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.242 6.635 -8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.746 5.672 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.341 6.432 -6.486 1.00 0.00 H new ATOM 45 N GLU A 4 -1.243 9.963 -6.698 1.00 0.00 N ATOM 46 CA GLU A 4 -0.368 11.131 -6.735 1.00 0.00 C ATOM 47 C GLU A 4 1.065 10.730 -6.349 1.00 0.00 C ATOM 48 O GLU A 4 1.989 10.946 -7.131 1.00 0.00 O ATOM 49 CB GLU A 4 -0.958 12.200 -5.799 1.00 0.00 C ATOM 50 CG GLU A 4 -0.089 13.449 -5.632 1.00 0.00 C ATOM 51 CD GLU A 4 -0.745 14.463 -4.681 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.081 14.086 -3.533 1.00 0.00 O ATOM 53 OE2 GLU A 4 -0.909 15.643 -5.072 1.00 0.00 O ATOM 0 H GLU A 4 -1.906 9.982 -5.923 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.310 11.547 -7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.934 12.500 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.123 11.754 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.890 13.165 -5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.075 13.913 -6.605 1.00 0.00 H new ATOM 60 N GLN A 5 1.258 10.102 -5.183 1.00 0.00 N ATOM 61 CA GLN A 5 2.580 9.775 -4.636 1.00 0.00 C ATOM 62 C GLN A 5 3.410 8.918 -5.603 1.00 0.00 C ATOM 63 O GLN A 5 4.556 9.260 -5.881 1.00 0.00 O ATOM 64 CB GLN A 5 2.424 9.052 -3.287 1.00 0.00 C ATOM 65 CG GLN A 5 3.761 8.950 -2.522 1.00 0.00 C ATOM 66 CD GLN A 5 3.844 7.698 -1.649 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.961 7.386 -0.858 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.897 6.921 -1.779 1.00 0.00 N ATOM 0 H GLN A 5 0.489 9.802 -4.584 1.00 0.00 H new ATOM 0 HA GLN A 5 3.117 10.712 -4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.696 9.584 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.027 8.051 -3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.585 8.946 -3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.886 9.834 -1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.638 7.171 -2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.973 6.068 -1.225 1.00 0.00 H new ATOM 77 N CYS A 6 2.839 7.833 -6.146 1.00 0.00 N ATOM 78 CA CYS A 6 3.525 6.924 -7.065 1.00 0.00 C ATOM 79 C CYS A 6 3.972 7.582 -8.375 1.00 0.00 C ATOM 80 O CYS A 6 4.935 7.121 -8.992 1.00 0.00 O ATOM 81 CB CYS A 6 2.579 5.764 -7.394 1.00 0.00 C ATOM 82 SG CYS A 6 2.294 4.526 -6.107 1.00 0.00 S ATOM 0 H CYS A 6 1.875 7.562 -5.954 1.00 0.00 H new ATOM 0 HA CYS A 6 4.432 6.589 -6.561 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.614 6.186 -7.674 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.969 5.251 -8.273 1.00 0.00 H new ATOM 87 N CYS A 7 3.271 8.623 -8.829 1.00 0.00 N ATOM 88 CA CYS A 7 3.478 9.235 -10.149 1.00 0.00 C ATOM 89 C CYS A 7 4.279 10.547 -10.078 1.00 0.00 C ATOM 90 O CYS A 7 5.124 10.803 -10.939 1.00 0.00 O ATOM 91 CB CYS A 7 2.107 9.415 -10.811 1.00 0.00 C ATOM 92 SG CYS A 7 2.168 9.836 -12.574 1.00 0.00 S ATOM 0 H CYS A 7 2.534 9.072 -8.286 1.00 0.00 H new ATOM 0 HA CYS A 7 4.092 8.574 -10.761 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.537 8.494 -10.691 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.563 10.198 -10.283 1.00 0.00 H new ATOM 97 N THR A 8 4.062 11.347 -9.023 1.00 0.00 N ATOM 98 CA THR A 8 4.783 12.595 -8.713 1.00 0.00 C ATOM 99 C THR A 8 6.105 12.321 -7.991 1.00 0.00 C ATOM 100 O THR A 8 7.061 13.074 -8.160 1.00 0.00 O ATOM 101 CB THR A 8 3.864 13.498 -7.871 1.00 0.00 C ATOM 102 OG1 THR A 8 2.693 13.772 -8.613 1.00 0.00 O ATOM 103 CG2 THR A 8 4.482 14.842 -7.485 1.00 0.00 C ATOM 0 H THR A 8 3.346 11.133 -8.329 1.00 0.00 H new ATOM 0 HA THR A 8 5.039 13.100 -9.644 1.00 0.00 H new ATOM 0 HB THR A 8 3.670 12.951 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.098 14.346 -8.086 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.768 15.415 -6.894 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.385 14.672 -6.899 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.735 15.399 -8.387 1.00 0.00 H new ATOM 111 N SER A 9 6.191 11.237 -7.225 1.00 0.00 N ATOM 112 CA SER A 9 7.393 10.788 -6.510 1.00 0.00 C ATOM 113 C SER A 9 7.586 9.263 -6.670 1.00 0.00 C ATOM 114 O SER A 9 7.118 8.668 -7.643 1.00 0.00 O ATOM 115 CB SER A 9 7.278 11.227 -5.036 1.00 0.00 C ATOM 116 OG SER A 9 8.513 11.082 -4.343 1.00 0.00 O ATOM 0 H SER A 9 5.394 10.618 -7.076 1.00 0.00 H new ATOM 0 HA SER A 9 8.285 11.249 -6.934 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.956 12.267 -4.991 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.511 10.634 -4.539 1.00 0.00 H new ATOM 0 HG SER A 9 8.402 11.371 -3.413 1.00 0.00 H new ATOM 122 N ILE A 10 8.296 8.612 -5.746 1.00 0.00 N ATOM 123 CA ILE A 10 8.438 7.148 -5.653 1.00 0.00 C ATOM 124 C ILE A 10 7.376 6.581 -4.696 1.00 0.00 C ATOM 125 O ILE A 10 7.040 7.203 -3.681 1.00 0.00 O ATOM 126 CB ILE A 10 9.876 6.795 -5.189 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.966 7.209 -6.209 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.056 5.318 -4.802 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.981 6.412 -7.518 1.00 0.00 C ATOM 0 H ILE A 10 8.808 9.103 -5.013 1.00 0.00 H new ATOM 0 HA ILE A 10 8.279 6.695 -6.632 1.00 0.00 H new ATOM 0 HB ILE A 10 10.012 7.391 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.833 8.264 -6.448 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.941 7.110 -5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.086 5.147 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.381 5.072 -3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.829 4.687 -5.661 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.781 6.782 -8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.149 5.357 -7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.024 6.529 -8.026 1.00 0.00 H new ATOM 141 N CYS A 11 6.901 5.364 -4.964 1.00 0.00 N ATOM 142 CA CYS A 11 6.162 4.547 -3.988 1.00 0.00 C ATOM 143 C CYS A 11 6.670 3.105 -3.928 1.00 0.00 C ATOM 144 O CYS A 11 7.330 2.624 -4.851 1.00 0.00 O ATOM 145 CB CYS A 11 4.661 4.604 -4.285 1.00 0.00 C ATOM 146 SG CYS A 11 4.131 3.732 -5.777 1.00 0.00 S ATOM 0 H CYS A 11 7.017 4.910 -5.870 1.00 0.00 H new ATOM 0 HA CYS A 11 6.339 4.970 -2.999 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.123 4.189 -3.432 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.365 5.649 -4.371 1.00 0.00 H new ATOM 151 N SER A 12 6.391 2.419 -2.824 1.00 0.00 N ATOM 152 CA SER A 12 6.884 1.061 -2.552 1.00 0.00 C ATOM 153 C SER A 12 5.850 -0.043 -2.835 1.00 0.00 C ATOM 154 O SER A 12 4.640 0.191 -2.884 1.00 0.00 O ATOM 155 CB SER A 12 7.408 0.967 -1.110 1.00 0.00 C ATOM 156 OG SER A 12 6.350 0.934 -0.166 1.00 0.00 O ATOM 0 H SER A 12 5.806 2.792 -2.076 1.00 0.00 H new ATOM 0 HA SER A 12 7.702 0.883 -3.250 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.019 0.070 -1.003 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.054 1.820 -0.902 1.00 0.00 H new ATOM 0 HG SER A 12 6.721 0.872 0.739 1.00 0.00 H new ATOM 162 N LEU A 13 6.324 -1.290 -2.956 1.00 0.00 N ATOM 163 CA LEU A 13 5.471 -2.477 -3.059 1.00 0.00 C ATOM 164 C LEU A 13 4.650 -2.693 -1.779 1.00 0.00 C ATOM 165 O LEU A 13 3.499 -3.110 -1.843 1.00 0.00 O ATOM 166 CB LEU A 13 6.355 -3.700 -3.356 1.00 0.00 C ATOM 167 CG LEU A 13 7.202 -3.618 -4.651 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.976 -4.930 -4.830 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.361 -3.341 -5.906 1.00 0.00 C ATOM 0 H LEU A 13 7.321 -1.503 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 13 4.759 -2.333 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.028 -3.852 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.716 -4.581 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 13 7.884 -2.776 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.574 -4.878 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.632 -5.086 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.273 -5.760 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.013 -3.295 -6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.632 -4.140 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.840 -2.390 -5.792 1.00 0.00 H new ATOM 181 N TYR A 14 5.202 -2.346 -0.613 1.00 0.00 N ATOM 182 CA TYR A 14 4.476 -2.362 0.660 1.00 0.00 C ATOM 183 C TYR A 14 3.350 -1.308 0.721 1.00 0.00 C ATOM 184 O TYR A 14 2.288 -1.567 1.288 1.00 0.00 O ATOM 185 CB TYR A 14 5.475 -2.184 1.810 1.00 0.00 C ATOM 186 CG TYR A 14 4.834 -2.206 3.187 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.402 -3.429 3.734 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.631 -1.007 3.901 1.00 0.00 C ATOM 189 CE1 TYR A 14 3.770 -3.457 4.990 1.00 0.00 C ATOM 190 CE2 TYR A 14 3.992 -1.024 5.154 1.00 0.00 C ATOM 191 CZ TYR A 14 3.560 -2.253 5.703 1.00 0.00 C ATOM 192 OH TYR A 14 2.942 -2.285 6.916 1.00 0.00 O ATOM 0 H TYR A 14 6.172 -2.044 -0.525 1.00 0.00 H new ATOM 0 HA TYR A 14 3.979 -3.327 0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.223 -2.975 1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.001 -1.238 1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.556 -4.348 3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.968 -0.070 3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.445 -4.397 5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.832 -0.102 5.694 1.00 0.00 H new ATOM 0 HH TYR A 14 2.876 -1.375 7.274 1.00 0.00 H new ATOM 202 N GLN A 15 3.542 -0.148 0.089 1.00 0.00 N ATOM 203 CA GLN A 15 2.504 0.881 -0.052 1.00 0.00 C ATOM 204 C GLN A 15 1.412 0.441 -1.039 1.00 0.00 C ATOM 205 O GLN A 15 0.234 0.665 -0.764 1.00 0.00 O ATOM 206 CB GLN A 15 3.142 2.216 -0.469 1.00 0.00 C ATOM 207 CG GLN A 15 3.878 2.882 0.708 1.00 0.00 C ATOM 208 CD GLN A 15 4.837 4.002 0.284 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.136 4.212 -0.886 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.363 4.766 1.218 1.00 0.00 N ATOM 0 H GLN A 15 4.429 0.108 -0.344 1.00 0.00 H new ATOM 0 HA GLN A 15 2.018 1.021 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.841 2.046 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.370 2.888 -0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.142 3.290 1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.440 2.121 1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.128 4.609 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.006 5.515 0.962 1.00 0.00 H new ATOM 219 N LEU A 16 1.760 -0.262 -2.128 1.00 0.00 N ATOM 220 CA LEU A 16 0.772 -0.950 -2.972 1.00 0.00 C ATOM 221 C LEU A 16 0.004 -2.017 -2.174 1.00 0.00 C ATOM 222 O LEU A 16 -1.219 -2.090 -2.278 1.00 0.00 O ATOM 223 CB LEU A 16 1.456 -1.561 -4.210 1.00 0.00 C ATOM 224 CG LEU A 16 2.034 -0.546 -5.213 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.791 -1.292 -6.320 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.945 0.312 -5.865 1.00 0.00 C ATOM 0 H LEU A 16 2.723 -0.369 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 16 0.044 -0.215 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.262 -2.213 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.733 -2.189 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 16 2.701 0.112 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.200 -0.573 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.604 -1.869 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.108 -1.965 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.403 1.012 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.247 -0.331 -6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.409 0.867 -5.095 1.00 0.00 H new ATOM 238 N GLU A 17 0.689 -2.800 -1.337 1.00 0.00 N ATOM 239 CA GLU A 17 0.062 -3.830 -0.500 1.00 0.00 C ATOM 240 C GLU A 17 -0.897 -3.240 0.551 1.00 0.00 C ATOM 241 O GLU A 17 -1.922 -3.848 0.854 1.00 0.00 O ATOM 242 CB GLU A 17 1.133 -4.717 0.155 1.00 0.00 C ATOM 243 CG GLU A 17 0.515 -6.034 0.651 1.00 0.00 C ATOM 244 CD GLU A 17 1.498 -6.963 1.375 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.737 -6.789 1.281 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.001 -7.903 2.040 1.00 0.00 O ATOM 0 H GLU A 17 1.700 -2.738 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.549 -4.449 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.926 -4.929 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.591 -4.187 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.310 -5.803 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.092 -6.566 -0.201 1.00 0.00 H new ATOM 253 N ASN A 18 -0.640 -2.027 1.054 1.00 0.00 N ATOM 254 CA ASN A 18 -1.561 -1.310 1.948 1.00 0.00 C ATOM 255 C ASN A 18 -2.905 -0.949 1.264 1.00 0.00 C ATOM 256 O ASN A 18 -3.920 -0.780 1.942 1.00 0.00 O ATOM 257 CB ASN A 18 -0.841 -0.064 2.492 1.00 0.00 C ATOM 258 CG ASN A 18 -1.643 0.646 3.577 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.212 1.709 3.364 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.716 0.079 4.771 1.00 0.00 N ATOM 0 H ASN A 18 0.217 -1.511 0.852 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.831 -1.969 2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.129 -0.355 2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.651 0.629 1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.248 0.528 5.517 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.241 -0.807 4.945 1.00 0.00 H new ATOM 267 N TYR A 19 -2.928 -0.880 -0.076 1.00 0.00 N ATOM 268 CA TYR A 19 -4.131 -0.725 -0.906 1.00 0.00 C ATOM 269 C TYR A 19 -4.686 -2.070 -1.440 1.00 0.00 C ATOM 270 O TYR A 19 -5.717 -2.089 -2.116 1.00 0.00 O ATOM 271 CB TYR A 19 -3.821 0.275 -2.035 1.00 0.00 C ATOM 272 CG TYR A 19 -3.964 1.729 -1.615 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.002 2.328 -0.780 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.075 2.482 -2.043 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.145 3.668 -0.373 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.221 3.827 -1.650 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.253 4.425 -0.813 1.00 0.00 C ATOM 278 OH TYR A 19 -4.385 5.733 -0.450 1.00 0.00 O ATOM 0 H TYR A 19 -2.075 -0.933 -0.632 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.934 -0.332 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.804 0.106 -2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.488 0.081 -2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.148 1.755 -0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.820 2.025 -2.677 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.407 4.117 0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.072 4.400 -1.988 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.204 6.100 -0.843 1.00 0.00 H new ATOM 288 N CYS A 20 -4.064 -3.209 -1.112 1.00 0.00 N ATOM 289 CA CYS A 20 -4.650 -4.546 -1.297 1.00 0.00 C ATOM 290 C CYS A 20 -5.572 -4.943 -0.127 1.00 0.00 C ATOM 291 O CYS A 20 -5.493 -4.386 0.972 1.00 0.00 O ATOM 292 CB CYS A 20 -3.547 -5.594 -1.494 1.00 0.00 C ATOM 293 SG CYS A 20 -2.465 -5.286 -2.907 1.00 0.00 S ATOM 0 H CYS A 20 -3.129 -3.230 -0.706 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.266 -4.508 -2.195 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.939 -5.638 -0.590 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.011 -6.573 -1.614 1.00 0.00 H new ATOM 298 N ASN A 21 -6.429 -5.941 -0.364 1.00 0.00 N ATOM 299 CA ASN A 21 -7.258 -6.601 0.653 1.00 0.00 C ATOM 300 C ASN A 21 -6.401 -7.412 1.648 1.00 0.00 C ATOM 301 O ASN A 21 -6.541 -7.208 2.875 1.00 0.00 O ATOM 302 CB ASN A 21 -8.279 -7.477 -0.100 1.00 0.00 C ATOM 303 CG ASN A 21 -9.249 -8.243 0.791 1.00 0.00 C ATOM 304 OD1 ASN A 21 -9.686 -7.788 1.840 1.00 0.00 O ATOM 305 ND2 ASN A 21 -9.648 -9.424 0.373 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.568 -8.227 1.191 1.00 0.00 O ATOM 0 H ASN A 21 -6.570 -6.325 -1.298 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.780 -5.866 1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.853 -6.842 -0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.736 -8.191 -0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.320 -9.959 0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.285 -9.805 -0.501 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.903 -4.410 -9.494 1.00 0.00 N ATOM 315 CA PHE B 1 13.487 -3.556 -8.424 1.00 0.00 C ATOM 316 C PHE B 1 12.397 -3.075 -7.455 1.00 0.00 C ATOM 317 O PHE B 1 11.289 -2.757 -7.893 1.00 0.00 O ATOM 318 CB PHE B 1 14.271 -2.369 -9.024 1.00 0.00 C ATOM 319 CG PHE B 1 15.030 -1.539 -8.002 1.00 0.00 C ATOM 320 CD1 PHE B 1 16.230 -2.027 -7.444 1.00 0.00 C ATOM 321 CD2 PHE B 1 14.533 -0.283 -7.599 1.00 0.00 C ATOM 322 CE1 PHE B 1 16.923 -1.267 -6.483 1.00 0.00 C ATOM 323 CE2 PHE B 1 15.229 0.478 -6.643 1.00 0.00 C ATOM 324 CZ PHE B 1 16.422 -0.012 -6.086 1.00 0.00 C ATOM 0 H1 PHE B 1 13.269 -4.106 -10.419 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.164 -5.403 -9.327 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.867 -4.318 -9.485 1.00 0.00 H new ATOM 0 HA PHE B 1 14.194 -4.161 -7.857 1.00 0.00 H new ATOM 0 HB2 PHE B 1 14.977 -2.751 -9.761 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.575 -1.721 -9.556 1.00 0.00 H new ATOM 0 HD1 PHE B 1 16.618 -2.986 -7.755 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.616 0.096 -8.025 1.00 0.00 H new ATOM 0 HE1 PHE B 1 17.837 -1.646 -6.051 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.846 1.440 -6.337 1.00 0.00 H new ATOM 0 HZ PHE B 1 16.956 0.574 -5.353 1.00 0.00 H new ATOM 336 N VAL B 2 12.677 -3.029 -6.147 1.00 0.00 N ATOM 337 CA VAL B 2 11.710 -2.623 -5.106 1.00 0.00 C ATOM 338 C VAL B 2 11.669 -1.094 -4.998 1.00 0.00 C ATOM 339 O VAL B 2 12.711 -0.452 -4.908 1.00 0.00 O ATOM 340 CB VAL B 2 12.032 -3.259 -3.730 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.025 -2.833 -2.645 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.024 -4.796 -3.825 1.00 0.00 C ATOM 0 H VAL B 2 13.593 -3.275 -5.771 1.00 0.00 H new ATOM 0 HA VAL B 2 10.728 -2.990 -5.404 1.00 0.00 H new ATOM 0 HB VAL B 2 13.023 -2.903 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.290 -3.303 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.049 -1.749 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.022 -3.145 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.252 -5.222 -2.848 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.040 -5.135 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.774 -5.120 -4.546 1.00 0.00 H new ATOM 352 N ASN B 3 10.451 -0.543 -5.015 1.00 0.00 N ATOM 353 CA ASN B 3 10.073 0.879 -5.031 1.00 0.00 C ATOM 354 C ASN B 3 10.405 1.606 -6.351 1.00 0.00 C ATOM 355 O ASN B 3 11.489 1.456 -6.918 1.00 0.00 O ATOM 356 CB ASN B 3 10.463 1.637 -3.746 1.00 0.00 C ATOM 357 CG ASN B 3 11.929 2.060 -3.605 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.465 2.824 -4.399 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.606 1.608 -2.561 1.00 0.00 N ATOM 0 H ASN B 3 9.622 -1.138 -5.018 1.00 0.00 H new ATOM 0 HA ASN B 3 8.983 0.885 -5.014 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.844 2.532 -3.680 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.208 1.009 -2.892 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.574 1.896 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.160 0.972 -1.900 1.00 0.00 H new ATOM 366 N GLN B 4 9.423 2.334 -6.893 1.00 0.00 N ATOM 367 CA GLN B 4 9.421 2.790 -8.289 1.00 0.00 C ATOM 368 C GLN B 4 8.548 4.039 -8.517 1.00 0.00 C ATOM 369 O GLN B 4 7.727 4.408 -7.672 1.00 0.00 O ATOM 370 CB GLN B 4 8.901 1.651 -9.206 1.00 0.00 C ATOM 371 CG GLN B 4 9.759 0.372 -9.269 1.00 0.00 C ATOM 372 CD GLN B 4 9.214 -0.679 -10.244 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.592 -0.391 -11.260 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.426 -1.950 -9.973 1.00 0.00 N ATOM 0 H GLN B 4 8.598 2.627 -6.370 1.00 0.00 H new ATOM 0 HA GLN B 4 10.450 3.057 -8.531 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.901 1.375 -8.873 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.802 2.046 -10.217 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.774 0.638 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.821 -0.065 -8.272 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.941 -2.213 -9.133 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.075 -2.671 -10.603 1.00 0.00 H new ATOM 383 N HIS B 5 8.677 4.659 -9.698 1.00 0.00 N ATOM 384 CA HIS B 5 7.652 5.538 -10.270 1.00 0.00 C ATOM 385 C HIS B 5 6.606 4.689 -11.023 1.00 0.00 C ATOM 386 O HIS B 5 6.966 3.811 -11.818 1.00 0.00 O ATOM 387 CB HIS B 5 8.280 6.535 -11.257 1.00 0.00 C ATOM 388 CG HIS B 5 9.252 7.527 -10.671 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.976 8.480 -9.721 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.543 7.732 -11.076 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.076 9.228 -9.544 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.068 8.815 -10.356 1.00 0.00 N ATOM 0 H HIS B 5 9.504 4.563 -10.287 1.00 0.00 H new ATOM 0 HA HIS B 5 7.180 6.089 -9.457 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.794 5.970 -12.035 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.477 7.088 -11.743 1.00 0.00 H new ATOM 0 HD1 HIS B 5 8.088 8.599 -9.234 1.00 0.00 H new ATOM 0 HD2 HIS B 5 11.069 7.157 -11.824 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.155 10.049 -8.846 1.00 0.00 H new ATOM 400 N LEU B 6 5.320 4.970 -10.808 1.00 0.00 N ATOM 401 CA LEU B 6 4.171 4.252 -11.365 1.00 0.00 C ATOM 402 C LEU B 6 2.997 5.225 -11.575 1.00 0.00 C ATOM 403 O LEU B 6 2.641 5.977 -10.672 1.00 0.00 O ATOM 404 CB LEU B 6 3.764 3.123 -10.394 1.00 0.00 C ATOM 405 CG LEU B 6 4.701 1.901 -10.322 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.277 1.022 -9.137 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.667 1.076 -11.617 1.00 0.00 C ATOM 0 H LEU B 6 5.036 5.745 -10.209 1.00 0.00 H new ATOM 0 HA LEU B 6 4.438 3.820 -12.329 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.681 3.548 -9.394 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.770 2.774 -10.675 1.00 0.00 H new ATOM 0 HG LEU B 6 5.722 2.258 -10.189 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.933 0.153 -9.075 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.348 1.597 -8.214 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.248 0.691 -9.279 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.341 0.225 -11.524 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.653 0.718 -11.794 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.983 1.699 -12.454 1.00 0.00 H new ATOM 419 N CYS B 7 2.370 5.197 -12.753 1.00 0.00 N ATOM 420 CA CYS B 7 1.266 6.087 -13.142 1.00 0.00 C ATOM 421 C CYS B 7 0.148 5.300 -13.842 1.00 0.00 C ATOM 422 O CYS B 7 0.422 4.360 -14.596 1.00 0.00 O ATOM 423 CB CYS B 7 1.805 7.170 -14.090 1.00 0.00 C ATOM 424 SG CYS B 7 3.124 8.261 -13.464 1.00 0.00 S ATOM 0 H CYS B 7 2.622 4.535 -13.487 1.00 0.00 H new ATOM 0 HA CYS B 7 0.851 6.546 -12.245 1.00 0.00 H new ATOM 0 HB2 CYS B 7 2.176 6.676 -14.988 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.967 7.797 -14.394 1.00 0.00 H new ATOM 429 N GLY B 8 -1.108 5.695 -13.615 1.00 0.00 N ATOM 430 CA GLY B 8 -2.287 5.291 -14.402 1.00 0.00 C ATOM 431 C GLY B 8 -2.444 3.778 -14.567 1.00 0.00 C ATOM 432 O GLY B 8 -2.462 3.022 -13.594 1.00 0.00 O ATOM 0 H GLY B 8 -1.345 6.328 -12.851 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.182 5.688 -13.923 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.224 5.748 -15.390 1.00 0.00 H new ATOM 436 N SER B 9 -2.544 3.322 -15.815 1.00 0.00 N ATOM 437 CA SER B 9 -2.717 1.899 -16.153 1.00 0.00 C ATOM 438 C SER B 9 -1.578 1.028 -15.606 1.00 0.00 C ATOM 439 O SER B 9 -1.823 -0.053 -15.080 1.00 0.00 O ATOM 440 CB SER B 9 -2.804 1.724 -17.678 1.00 0.00 C ATOM 441 OG SER B 9 -3.844 2.526 -18.228 1.00 0.00 O ATOM 0 H SER B 9 -2.508 3.932 -16.632 1.00 0.00 H new ATOM 0 HA SER B 9 -3.644 1.570 -15.684 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.852 1.996 -18.133 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.984 0.676 -17.917 1.00 0.00 H new ATOM 0 HG SER B 9 -3.877 2.398 -19.199 1.00 0.00 H new ATOM 447 N HIS B 10 -0.334 1.516 -15.636 1.00 0.00 N ATOM 448 CA HIS B 10 0.827 0.780 -15.127 1.00 0.00 C ATOM 449 C HIS B 10 0.844 0.710 -13.589 1.00 0.00 C ATOM 450 O HIS B 10 1.244 -0.311 -13.026 1.00 0.00 O ATOM 451 CB HIS B 10 2.096 1.422 -15.704 1.00 0.00 C ATOM 452 CG HIS B 10 2.176 1.353 -17.212 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.687 0.351 -18.023 1.00 0.00 N ATOM 454 CD2 HIS B 10 2.760 2.283 -18.036 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.962 0.675 -19.299 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.621 1.848 -19.361 1.00 0.00 N ATOM 0 H HIS B 10 -0.103 2.435 -16.015 1.00 0.00 H new ATOM 0 HA HIS B 10 0.773 -0.258 -15.454 1.00 0.00 H new ATOM 0 HB2 HIS B 10 2.139 2.466 -15.393 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.969 0.927 -15.279 1.00 0.00 H new ATOM 0 HD1 HIS B 10 1.201 -0.490 -17.710 1.00 0.00 H new ATOM 0 HD2 HIS B 10 3.244 3.194 -17.717 1.00 0.00 H new ATOM 0 HE1 HIS B 10 1.691 0.077 -20.156 1.00 0.00 H new ATOM 464 N LEU B 11 0.331 1.738 -12.899 1.00 0.00 N ATOM 465 CA LEU B 11 0.073 1.685 -11.458 1.00 0.00 C ATOM 466 C LEU B 11 -1.022 0.662 -11.130 1.00 0.00 C ATOM 467 O LEU B 11 -0.858 -0.135 -10.207 1.00 0.00 O ATOM 468 CB LEU B 11 -0.282 3.097 -10.954 1.00 0.00 C ATOM 469 CG LEU B 11 -0.652 3.178 -9.461 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.473 2.686 -8.546 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.994 4.629 -9.103 1.00 0.00 C ATOM 0 H LEU B 11 0.084 2.630 -13.327 1.00 0.00 H new ATOM 0 HA LEU B 11 0.972 1.351 -10.940 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.565 3.757 -11.140 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.117 3.478 -11.542 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.510 2.525 -9.303 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.157 2.766 -7.506 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.701 1.646 -8.777 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.363 3.296 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.257 4.691 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.131 5.265 -9.300 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.838 4.964 -9.707 1.00 0.00 H new ATOM 483 N VAL B 12 -2.108 0.638 -11.907 1.00 0.00 N ATOM 484 CA VAL B 12 -3.196 -0.352 -11.765 1.00 0.00 C ATOM 485 C VAL B 12 -2.695 -1.786 -12.012 1.00 0.00 C ATOM 486 O VAL B 12 -3.048 -2.686 -11.252 1.00 0.00 O ATOM 487 CB VAL B 12 -4.403 0.010 -12.664 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.468 -1.095 -12.733 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.090 1.290 -12.147 1.00 0.00 C ATOM 0 H VAL B 12 -2.265 1.307 -12.660 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.544 -0.317 -10.733 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.991 0.151 -13.663 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.284 -0.774 -13.380 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.023 -2.005 -13.135 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.854 -1.292 -11.733 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.937 1.533 -12.789 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.441 1.128 -11.128 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.378 2.115 -12.158 1.00 0.00 H new ATOM 499 N GLU B 13 -1.825 -1.999 -13.006 1.00 0.00 N ATOM 500 CA GLU B 13 -1.163 -3.283 -13.262 1.00 0.00 C ATOM 501 C GLU B 13 -0.262 -3.699 -12.089 1.00 0.00 C ATOM 502 O GLU B 13 -0.357 -4.830 -11.615 1.00 0.00 O ATOM 503 CB GLU B 13 -0.321 -3.196 -14.544 1.00 0.00 C ATOM 504 CG GLU B 13 -1.156 -3.261 -15.826 1.00 0.00 C ATOM 505 CD GLU B 13 -0.267 -3.102 -17.070 1.00 0.00 C ATOM 506 OE1 GLU B 13 0.270 -1.994 -17.304 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.112 -4.089 -17.831 1.00 0.00 O ATOM 0 H GLU B 13 -1.557 -1.270 -13.667 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.942 -4.036 -13.380 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.246 -2.265 -14.535 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.404 -4.010 -14.550 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -1.685 -4.213 -15.872 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.912 -2.476 -15.812 1.00 0.00 H new ATOM 514 N ALA B 14 0.586 -2.795 -11.588 1.00 0.00 N ATOM 515 CA ALA B 14 1.473 -3.070 -10.453 1.00 0.00 C ATOM 516 C ALA B 14 0.692 -3.437 -9.180 1.00 0.00 C ATOM 517 O ALA B 14 1.015 -4.427 -8.515 1.00 0.00 O ATOM 518 CB ALA B 14 2.376 -1.848 -10.240 1.00 0.00 C ATOM 0 H ALA B 14 0.677 -1.849 -11.959 1.00 0.00 H new ATOM 0 HA ALA B 14 2.086 -3.942 -10.678 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.045 -2.032 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.965 -1.670 -11.140 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.761 -0.973 -10.030 1.00 0.00 H new ATOM 524 N LEU B 15 -0.375 -2.690 -8.871 1.00 0.00 N ATOM 525 CA LEU B 15 -1.283 -2.981 -7.764 1.00 0.00 C ATOM 526 C LEU B 15 -1.876 -4.388 -7.909 1.00 0.00 C ATOM 527 O LEU B 15 -1.719 -5.206 -7.009 1.00 0.00 O ATOM 528 CB LEU B 15 -2.362 -1.885 -7.704 1.00 0.00 C ATOM 529 CG LEU B 15 -3.369 -2.051 -6.549 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.702 -1.978 -5.168 1.00 0.00 C ATOM 531 CD2 LEU B 15 -4.429 -0.949 -6.654 1.00 0.00 C ATOM 0 H LEU B 15 -0.633 -1.853 -9.394 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.741 -2.974 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.874 -0.915 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.907 -1.876 -8.648 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.817 -3.040 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.458 -2.101 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.959 -2.771 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.215 -1.010 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -5.147 -1.057 -5.841 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.948 0.027 -6.586 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.947 -1.032 -7.609 1.00 0.00 H new ATOM 543 N TYR B 16 -2.479 -4.712 -9.060 1.00 0.00 N ATOM 544 CA TYR B 16 -3.047 -6.044 -9.329 1.00 0.00 C ATOM 545 C TYR B 16 -2.013 -7.174 -9.150 1.00 0.00 C ATOM 546 O TYR B 16 -2.340 -8.229 -8.603 1.00 0.00 O ATOM 547 CB TYR B 16 -3.632 -6.101 -10.752 1.00 0.00 C ATOM 548 CG TYR B 16 -4.890 -5.300 -11.067 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.496 -4.425 -10.139 1.00 0.00 C ATOM 550 CD2 TYR B 16 -5.463 -5.448 -12.348 1.00 0.00 C ATOM 551 CE1 TYR B 16 -6.649 -3.702 -10.495 1.00 0.00 C ATOM 552 CE2 TYR B 16 -6.626 -4.738 -12.704 1.00 0.00 C ATOM 553 CZ TYR B 16 -7.227 -3.865 -11.772 1.00 0.00 C ATOM 554 OH TYR B 16 -8.351 -3.172 -12.119 1.00 0.00 O ATOM 0 H TYR B 16 -2.588 -4.057 -9.835 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.839 -6.202 -8.597 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.853 -5.775 -11.441 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.842 -7.146 -10.980 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.073 -4.310 -9.152 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -5.004 -6.114 -13.064 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.094 -3.019 -9.787 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.056 -4.861 -13.687 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.933 -3.079 -11.336 1.00 0.00 H new ATOM 564 N LEU B 17 -0.761 -6.945 -9.561 1.00 0.00 N ATOM 565 CA LEU B 17 0.348 -7.899 -9.418 1.00 0.00 C ATOM 566 C LEU B 17 0.826 -8.056 -7.966 1.00 0.00 C ATOM 567 O LEU B 17 1.161 -9.172 -7.566 1.00 0.00 O ATOM 568 CB LEU B 17 1.506 -7.490 -10.352 1.00 0.00 C ATOM 569 CG LEU B 17 1.220 -7.724 -11.851 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.292 -7.014 -12.690 1.00 0.00 C ATOM 571 CD2 LEU B 17 1.202 -9.219 -12.206 1.00 0.00 C ATOM 0 H LEU B 17 -0.483 -6.073 -10.012 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.023 -8.881 -9.711 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.729 -6.434 -10.196 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.399 -8.049 -10.072 1.00 0.00 H new ATOM 0 HG LEU B 17 0.233 -7.318 -12.070 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.093 -7.178 -13.749 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.271 -5.945 -12.478 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.274 -7.415 -12.440 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.997 -9.338 -13.270 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.171 -9.660 -11.971 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.425 -9.721 -11.629 1.00 0.00 H new ATOM 583 N VAL B 18 0.814 -6.985 -7.171 1.00 0.00 N ATOM 584 CA VAL B 18 1.112 -7.033 -5.722 1.00 0.00 C ATOM 585 C VAL B 18 -0.016 -7.734 -4.952 1.00 0.00 C ATOM 586 O VAL B 18 0.259 -8.532 -4.055 1.00 0.00 O ATOM 587 CB VAL B 18 1.392 -5.624 -5.142 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.450 -5.594 -3.603 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.747 -5.105 -5.655 1.00 0.00 C ATOM 0 H VAL B 18 0.596 -6.048 -7.509 1.00 0.00 H new ATOM 0 HA VAL B 18 2.023 -7.618 -5.598 1.00 0.00 H new ATOM 0 HB VAL B 18 0.560 -5.001 -5.471 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.649 -4.577 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.496 -5.931 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.245 -6.254 -3.256 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.937 -4.114 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.539 -5.786 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.726 -5.047 -6.743 1.00 0.00 H new ATOM 599 N CYS B 19 -1.280 -7.475 -5.306 1.00 0.00 N ATOM 600 CA CYS B 19 -2.433 -8.070 -4.619 1.00 0.00 C ATOM 601 C CYS B 19 -2.662 -9.543 -4.992 1.00 0.00 C ATOM 602 O CYS B 19 -3.096 -10.332 -4.150 1.00 0.00 O ATOM 603 CB CYS B 19 -3.711 -7.261 -4.897 1.00 0.00 C ATOM 604 SG CYS B 19 -3.676 -5.481 -4.530 1.00 0.00 S ATOM 0 H CYS B 19 -1.532 -6.851 -6.072 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.201 -8.037 -3.555 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.963 -7.382 -5.951 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.523 -7.707 -4.322 1.00 0.00 H new ATOM 609 N GLY B 20 -2.405 -9.922 -6.247 1.00 0.00 N ATOM 610 CA GLY B 20 -2.681 -11.267 -6.761 1.00 0.00 C ATOM 611 C GLY B 20 -4.166 -11.622 -6.639 1.00 0.00 C ATOM 612 O GLY B 20 -5.039 -10.842 -7.026 1.00 0.00 O ATOM 0 H GLY B 20 -1.995 -9.298 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.376 -11.328 -7.806 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.085 -11.996 -6.212 1.00 0.00 H new ATOM 616 N GLU B 21 -4.455 -12.793 -6.066 1.00 0.00 N ATOM 617 CA GLU B 21 -5.819 -13.303 -5.852 1.00 0.00 C ATOM 618 C GLU B 21 -6.568 -12.625 -4.684 1.00 0.00 C ATOM 619 O GLU B 21 -7.776 -12.833 -4.535 1.00 0.00 O ATOM 620 CB GLU B 21 -5.766 -14.827 -5.632 1.00 0.00 C ATOM 621 CG GLU B 21 -5.262 -15.584 -6.867 1.00 0.00 C ATOM 622 CD GLU B 21 -5.310 -17.102 -6.641 1.00 0.00 C ATOM 623 OE1 GLU B 21 -4.323 -17.674 -6.123 1.00 0.00 O ATOM 624 OE2 GLU B 21 -6.332 -17.738 -6.989 1.00 0.00 O ATOM 0 H GLU B 21 -3.733 -13.430 -5.729 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.387 -13.060 -6.750 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.115 -15.046 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.761 -15.187 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.872 -15.322 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.240 -15.279 -7.093 1.00 0.00 H new ATOM 631 N ARG B 22 -5.890 -11.813 -3.857 1.00 0.00 N ATOM 632 CA ARG B 22 -6.477 -11.178 -2.660 1.00 0.00 C ATOM 633 C ARG B 22 -7.574 -10.152 -2.993 1.00 0.00 C ATOM 634 O ARG B 22 -8.544 -10.023 -2.240 1.00 0.00 O ATOM 635 CB ARG B 22 -5.380 -10.480 -1.835 1.00 0.00 C ATOM 636 CG ARG B 22 -4.352 -11.458 -1.236 1.00 0.00 C ATOM 637 CD ARG B 22 -3.069 -10.761 -0.771 1.00 0.00 C ATOM 638 NE ARG B 22 -3.320 -9.696 0.218 1.00 0.00 N ATOM 639 CZ ARG B 22 -2.400 -9.028 0.901 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.113 -9.285 0.800 1.00 0.00 N ATOM 641 NH2 ARG B 22 -2.802 -8.074 1.706 1.00 0.00 N ATOM 0 H ARG B 22 -4.909 -11.575 -4.000 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.939 -11.982 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.861 -9.761 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.846 -9.915 -1.028 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -4.803 -11.980 -0.392 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.100 -12.214 -1.980 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -2.396 -11.501 -0.338 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.560 -10.335 -1.635 1.00 0.00 H new ATOM 0 HE ARG B 22 -4.294 -9.450 0.393 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.788 -10.024 0.177 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.441 -8.745 1.345 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -3.797 -7.865 1.792 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.120 -7.541 2.246 1.00 0.00 H new ATOM 655 N GLY B 23 -7.416 -9.418 -4.100 1.00 0.00 N ATOM 656 CA GLY B 23 -8.232 -8.251 -4.472 1.00 0.00 C ATOM 657 C GLY B 23 -7.602 -6.919 -4.051 1.00 0.00 C ATOM 658 O GLY B 23 -6.758 -6.867 -3.152 1.00 0.00 O ATOM 0 H GLY B 23 -6.692 -9.625 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.383 -8.250 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.216 -8.342 -4.013 1.00 0.00 H new ATOM 662 N PHE B 24 -8.030 -5.843 -4.714 1.00 0.00 N ATOM 663 CA PHE B 24 -7.483 -4.486 -4.595 1.00 0.00 C ATOM 664 C PHE B 24 -8.540 -3.441 -4.183 1.00 0.00 C ATOM 665 O PHE B 24 -9.748 -3.678 -4.264 1.00 0.00 O ATOM 666 CB PHE B 24 -6.860 -4.107 -5.957 1.00 0.00 C ATOM 667 CG PHE B 24 -7.885 -3.822 -7.044 1.00 0.00 C ATOM 668 CD1 PHE B 24 -8.449 -4.880 -7.787 1.00 0.00 C ATOM 669 CD2 PHE B 24 -8.308 -2.499 -7.284 1.00 0.00 C ATOM 670 CE1 PHE B 24 -9.448 -4.615 -8.741 1.00 0.00 C ATOM 671 CE2 PHE B 24 -9.311 -2.237 -8.234 1.00 0.00 C ATOM 672 CZ PHE B 24 -9.887 -3.297 -8.955 1.00 0.00 C ATOM 0 H PHE B 24 -8.802 -5.894 -5.379 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.736 -4.484 -3.801 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -6.230 -3.227 -5.825 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -6.210 -4.918 -6.287 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -8.114 -5.894 -7.623 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -7.860 -1.683 -6.736 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -9.879 -5.426 -9.310 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -9.638 -1.223 -8.409 1.00 0.00 H new ATOM 0 HZ PHE B 24 -10.668 -3.099 -9.674 1.00 0.00 H new ATOM 682 N PHE B 25 -8.060 -2.249 -3.821 1.00 0.00 N ATOM 683 CA PHE B 25 -8.821 -0.999 -3.767 1.00 0.00 C ATOM 684 C PHE B 25 -8.025 0.111 -4.479 1.00 0.00 C ATOM 685 O PHE B 25 -6.814 0.219 -4.308 1.00 0.00 O ATOM 686 CB PHE B 25 -9.101 -0.623 -2.305 1.00 0.00 C ATOM 687 CG PHE B 25 -9.777 0.728 -2.154 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.133 0.880 -2.506 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.042 1.843 -1.709 1.00 0.00 C ATOM 690 CE1 PHE B 25 -11.748 2.141 -2.423 1.00 0.00 C ATOM 691 CE2 PHE B 25 -9.658 3.104 -1.621 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.009 3.255 -1.983 1.00 0.00 C ATOM 0 H PHE B 25 -7.086 -2.123 -3.545 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.777 -1.124 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.731 -1.390 -1.854 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.162 -0.616 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.701 0.025 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.004 1.730 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.787 2.255 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.093 3.957 -1.275 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.479 4.226 -1.923 1.00 0.00 H new ATOM 702 N TYR B 26 -8.700 0.947 -5.272 1.00 0.00 N ATOM 703 CA TYR B 26 -8.064 1.988 -6.097 1.00 0.00 C ATOM 704 C TYR B 26 -9.010 3.166 -6.391 1.00 0.00 C ATOM 705 O TYR B 26 -10.185 2.956 -6.705 1.00 0.00 O ATOM 706 CB TYR B 26 -7.568 1.357 -7.412 1.00 0.00 C ATOM 707 CG TYR B 26 -6.830 2.308 -8.334 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.443 2.491 -8.189 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.527 3.015 -9.335 1.00 0.00 C ATOM 710 CE1 TYR B 26 -4.749 3.365 -9.045 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.839 3.903 -10.185 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.443 4.081 -10.044 1.00 0.00 C ATOM 713 OH TYR B 26 -4.768 4.928 -10.870 1.00 0.00 O ATOM 0 H TYR B 26 -9.716 0.923 -5.363 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.223 2.395 -5.535 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.910 0.522 -7.172 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.424 0.945 -7.947 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.908 1.958 -7.417 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.592 2.875 -9.450 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.681 3.489 -8.938 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.378 4.449 -10.945 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.396 5.339 -11.500 1.00 0.00 H new ATOM 723 N THR B 27 -8.469 4.394 -6.332 1.00 0.00 N ATOM 724 CA THR B 27 -9.127 5.672 -6.669 1.00 0.00 C ATOM 725 C THR B 27 -8.095 6.817 -6.613 1.00 0.00 C ATOM 726 O THR B 27 -7.262 6.806 -5.700 1.00 0.00 O ATOM 727 CB THR B 27 -10.348 5.942 -5.767 1.00 0.00 C ATOM 728 OG1 THR B 27 -10.964 7.124 -6.219 1.00 0.00 O ATOM 729 CG2 THR B 27 -10.017 6.099 -4.277 1.00 0.00 C ATOM 0 H THR B 27 -7.504 4.532 -6.030 1.00 0.00 H new ATOM 0 HA THR B 27 -9.514 5.610 -7.686 1.00 0.00 H new ATOM 0 HB THR B 27 -10.997 5.069 -5.841 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.747 7.319 -5.662 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.934 6.286 -3.718 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.548 5.186 -3.910 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.333 6.937 -4.143 1.00 0.00 H new ATOM 737 N PRO B 28 -8.105 7.782 -7.558 1.00 0.00 N ATOM 738 CA PRO B 28 -7.235 8.953 -7.506 1.00 0.00 C ATOM 739 C PRO B 28 -7.720 9.945 -6.443 1.00 0.00 C ATOM 740 O PRO B 28 -8.917 10.221 -6.341 1.00 0.00 O ATOM 741 CB PRO B 28 -7.274 9.557 -8.913 1.00 0.00 C ATOM 742 CG PRO B 28 -8.657 9.166 -9.428 1.00 0.00 C ATOM 743 CD PRO B 28 -8.897 7.802 -8.781 1.00 0.00 C ATOM 0 HA PRO B 28 -6.215 8.693 -7.223 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -7.145 10.639 -8.889 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.482 9.155 -9.545 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.416 9.891 -9.134 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.679 9.105 -10.516 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -9.955 7.657 -8.561 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -8.597 6.996 -9.451 1.00 0.00 H new ATOM 751 N LYS B 29 -6.782 10.498 -5.660 1.00 0.00 N ATOM 752 CA LYS B 29 -7.065 11.393 -4.522 1.00 0.00 C ATOM 753 C LYS B 29 -5.830 12.187 -4.050 1.00 0.00 C ATOM 754 O LYS B 29 -4.695 11.693 -4.110 1.00 0.00 O ATOM 755 CB LYS B 29 -7.709 10.597 -3.360 1.00 0.00 C ATOM 756 CG LYS B 29 -6.776 9.541 -2.736 1.00 0.00 C ATOM 757 CD LYS B 29 -7.479 8.648 -1.702 1.00 0.00 C ATOM 758 CE LYS B 29 -7.983 9.441 -0.487 1.00 0.00 C ATOM 759 NZ LYS B 29 -8.590 8.554 0.537 1.00 0.00 N ATOM 0 H LYS B 29 -5.785 10.334 -5.801 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.776 12.140 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.022 11.295 -2.584 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.609 10.102 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -6.365 8.915 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -5.935 10.045 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -8.320 8.142 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -6.789 7.874 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -7.154 9.993 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -8.718 10.177 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -8.918 9.126 1.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.397 8.046 0.122 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -7.881 7.868 0.866 1.00 0.00 H new ATOM 773 N THR B 30 -6.064 13.404 -3.544 1.00 0.00 N ATOM 774 CA THR B 30 -5.060 14.293 -2.920 1.00 0.00 C ATOM 775 C THR B 30 -5.017 14.094 -1.401 1.00 0.00 C ATOM 776 O THR B 30 -5.822 14.717 -0.670 1.00 0.00 O ATOM 777 CB THR B 30 -5.306 15.762 -3.295 1.00 0.00 C ATOM 778 OG1 THR B 30 -6.656 16.116 -3.088 1.00 0.00 O ATOM 779 CG2 THR B 30 -4.983 16.020 -4.772 1.00 0.00 C ATOM 780 OXT THR B 30 -4.192 13.269 -0.951 1.00 0.00 O ATOM 0 H THR B 30 -6.996 13.819 -3.556 1.00 0.00 H new ATOM 0 HA THR B 30 -4.080 14.021 -3.313 1.00 0.00 H new ATOM 0 HB THR B 30 -4.654 16.360 -2.658 1.00 0.00 H new ATOM 0 HG1 THR B 30 -6.950 15.788 -2.213 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.167 17.068 -5.007 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.936 15.784 -4.962 1.00 0.00 H new ATOM 0 HG23 THR B 30 -5.616 15.391 -5.398 1.00 0.00 H new TER 788 THR B 30