USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 704 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 7 TYR OH : rot 66:sc= -0.686! USER MOD Set 1.2: A 37 MET CE :methyl 138:sc= -4.87! (180deg=-7.22!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= -4.08! (180deg=-8.33!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0705 USER MOD Single : A 10 ASN : amide:sc= -0.0456 K(o=-0.046,f=-1.1) USER MOD Single : A 12 HIS : no HD1:sc= -3.72! K(o=-3.7!,f=0.73) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.236 (180deg=-0.362) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.73 K(o=-0.73,f=-1.5) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 77:sc= 0.194 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.444 K(o=-0.44,f=-1) USER MOD Single : A 35 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= 0.0672 (180deg=-0.0577) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -158:sc= 0 (180deg=-0.0795) USER MOD Single : A 67 GLN : amide:sc= -0.992 K(o=-0.99,f=-2.1!) USER MOD Single : A 74 SER OG : rot 31:sc= 1.08 USER MOD Single : A 75 HIS : no HE2:sc= -0.119 K(o=-0.12,f=-1.3!) USER MOD Single : A 81 GLN : amide:sc= -0.683 K(o=-0.68,f=-6.7!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.267 1.263 -5.525 1.00 0.00 N ATOM 2 CA MET A 1 -10.331 0.112 -5.361 1.00 0.00 C ATOM 3 C MET A 1 -9.098 0.503 -4.553 1.00 0.00 C ATOM 4 O MET A 1 -8.405 1.464 -4.883 1.00 0.00 O ATOM 5 CB MET A 1 -9.942 -0.362 -6.760 1.00 0.00 C ATOM 6 CG MET A 1 -8.959 -1.508 -6.809 1.00 0.00 C ATOM 7 SD MET A 1 -8.403 -1.859 -8.488 1.00 0.00 S ATOM 8 CE MET A 1 -9.781 -2.819 -9.110 1.00 0.00 C ATOM 0 H1 MET A 1 -12.095 1.127 -4.911 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.782 2.145 -5.263 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.577 1.320 -6.516 1.00 0.00 H new ATOM 0 HA MET A 1 -10.818 -0.690 -4.806 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.848 -0.660 -7.288 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.518 0.481 -7.305 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.097 -1.272 -6.185 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.423 -2.400 -6.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.585 -3.111 -10.142 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.908 -3.712 -8.498 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.690 -2.219 -9.069 1.00 0.00 H new ATOM 20 N PHE A 2 -8.832 -0.248 -3.484 1.00 0.00 N ATOM 21 CA PHE A 2 -7.689 0.030 -2.624 1.00 0.00 C ATOM 22 C PHE A 2 -6.405 0.105 -3.436 1.00 0.00 C ATOM 23 O PHE A 2 -6.325 -0.427 -4.544 1.00 0.00 O ATOM 24 CB PHE A 2 -7.550 -1.039 -1.536 1.00 0.00 C ATOM 25 CG PHE A 2 -8.616 -0.983 -0.480 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.806 -1.674 -0.637 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.422 -0.245 0.672 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.782 -1.629 0.339 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.394 -0.194 1.651 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.576 -0.888 1.485 1.00 0.00 C ATOM 0 H PHE A 2 -9.392 -1.050 -3.196 1.00 0.00 H new ATOM 0 HA PHE A 2 -7.862 0.995 -2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.569 -2.023 -2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.576 -0.932 -1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.972 -2.254 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.499 0.299 0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.705 -2.173 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.230 0.388 2.546 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.337 -0.851 2.250 1.00 0.00 H new ATOM 40 N LYS A 3 -5.405 0.771 -2.880 1.00 0.00 N ATOM 41 CA LYS A 3 -4.127 0.921 -3.550 1.00 0.00 C ATOM 42 C LYS A 3 -2.986 0.663 -2.582 1.00 0.00 C ATOM 43 O LYS A 3 -2.829 1.379 -1.595 1.00 0.00 O ATOM 44 CB LYS A 3 -4.006 2.329 -4.132 1.00 0.00 C ATOM 45 CG LYS A 3 -4.534 2.448 -5.551 1.00 0.00 C ATOM 46 CD LYS A 3 -6.042 2.649 -5.566 1.00 0.00 C ATOM 47 CE LYS A 3 -6.435 3.884 -6.360 1.00 0.00 C ATOM 48 NZ LYS A 3 -6.656 5.064 -5.479 1.00 0.00 N ATOM 0 H LYS A 3 -5.456 1.217 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.070 0.192 -4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.548 3.025 -3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.959 2.631 -4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.049 3.285 -6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.279 1.549 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.522 1.771 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.407 2.742 -4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.654 4.113 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.344 3.678 -6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.922 5.885 -6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.419 4.855 -4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.781 5.277 -4.958 1.00 0.00 H new ATOM 62 N VAL A 4 -2.192 -0.362 -2.855 1.00 0.00 N ATOM 63 CA VAL A 4 -1.071 -0.679 -1.979 1.00 0.00 C ATOM 64 C VAL A 4 0.241 -0.151 -2.534 1.00 0.00 C ATOM 65 O VAL A 4 0.611 -0.434 -3.674 1.00 0.00 O ATOM 66 CB VAL A 4 -0.927 -2.191 -1.720 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.437 -2.507 -1.125 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.015 -2.673 -0.788 1.00 0.00 C ATOM 0 H VAL A 4 -2.298 -0.979 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.294 -0.186 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.022 -2.708 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.518 -3.580 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.218 -2.193 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.554 -1.975 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.899 -3.743 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.942 -2.142 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.990 -2.482 -1.237 1.00 0.00 H new ATOM 78 N TYR A 5 0.949 0.598 -1.702 1.00 0.00 N ATOM 79 CA TYR A 5 2.236 1.153 -2.079 1.00 0.00 C ATOM 80 C TYR A 5 3.346 0.359 -1.402 1.00 0.00 C ATOM 81 O TYR A 5 3.638 0.573 -0.230 1.00 0.00 O ATOM 82 CB TYR A 5 2.335 2.623 -1.662 1.00 0.00 C ATOM 83 CG TYR A 5 1.510 3.585 -2.496 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.317 3.193 -3.095 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.928 4.897 -2.674 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.429 4.081 -3.847 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.186 5.791 -3.423 1.00 0.00 C ATOM 88 CZ TYR A 5 0.010 5.378 -4.007 1.00 0.00 C ATOM 89 OH TYR A 5 -0.732 6.264 -4.755 1.00 0.00 O ATOM 0 H TYR A 5 0.650 0.835 -0.756 1.00 0.00 H new ATOM 0 HA TYR A 5 2.340 1.090 -3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.025 2.711 -0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.380 2.929 -1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.032 2.179 -2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.851 5.225 -2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.352 3.760 -4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.527 6.808 -3.549 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.285 7.136 -4.768 1.00 0.00 H new ATOM 99 N GLY A 6 3.953 -0.565 -2.132 1.00 0.00 N ATOM 100 CA GLY A 6 5.012 -1.372 -1.561 1.00 0.00 C ATOM 101 C GLY A 6 5.878 -2.022 -2.619 1.00 0.00 C ATOM 102 O GLY A 6 6.214 -1.399 -3.625 1.00 0.00 O ATOM 0 H GLY A 6 3.732 -0.770 -3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.634 -0.748 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.575 -2.145 -0.928 1.00 0.00 H new ATOM 106 N TYR A 7 6.250 -3.275 -2.383 1.00 0.00 N ATOM 107 CA TYR A 7 7.092 -4.010 -3.309 1.00 0.00 C ATOM 108 C TYR A 7 6.409 -5.271 -3.811 1.00 0.00 C ATOM 109 O TYR A 7 5.477 -5.778 -3.190 1.00 0.00 O ATOM 110 CB TYR A 7 8.394 -4.375 -2.625 1.00 0.00 C ATOM 111 CG TYR A 7 9.250 -3.180 -2.319 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.977 -2.549 -3.316 1.00 0.00 C ATOM 113 CD2 TYR A 7 9.328 -2.682 -1.028 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.759 -1.449 -3.031 1.00 0.00 C ATOM 115 CE2 TYR A 7 10.109 -1.586 -0.733 1.00 0.00 C ATOM 116 CZ TYR A 7 10.822 -0.972 -1.736 1.00 0.00 C ATOM 117 OH TYR A 7 11.607 0.116 -1.437 1.00 0.00 O ATOM 0 H TYR A 7 5.978 -3.802 -1.553 1.00 0.00 H new ATOM 0 HA TYR A 7 7.285 -3.370 -4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.175 -4.905 -1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.952 -5.062 -3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.931 -2.923 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.767 -3.161 -0.240 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.319 -0.963 -3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.161 -1.212 0.279 1.00 0.00 H new ATOM 0 HH TYR A 7 11.247 0.911 -1.882 1.00 0.00 H new ATOM 127 N ASP A 8 6.891 -5.777 -4.940 1.00 0.00 N ATOM 128 CA ASP A 8 6.335 -6.985 -5.526 1.00 0.00 C ATOM 129 C ASP A 8 6.720 -8.211 -4.704 1.00 0.00 C ATOM 130 O ASP A 8 5.928 -8.696 -3.898 1.00 0.00 O ATOM 131 CB ASP A 8 6.802 -7.143 -6.976 1.00 0.00 C ATOM 132 CG ASP A 8 5.848 -6.498 -7.963 1.00 0.00 C ATOM 133 OD1 ASP A 8 5.187 -5.506 -7.591 1.00 0.00 O ATOM 134 OD2 ASP A 8 5.761 -6.987 -9.109 1.00 0.00 O ATOM 0 H ASP A 8 7.664 -5.369 -5.465 1.00 0.00 H new ATOM 0 HA ASP A 8 5.249 -6.898 -5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.791 -6.698 -7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.901 -8.203 -7.210 1.00 0.00 H new ATOM 139 N SER A 9 7.934 -8.717 -4.913 1.00 0.00 N ATOM 140 CA SER A 9 8.401 -9.894 -4.186 1.00 0.00 C ATOM 141 C SER A 9 9.755 -10.356 -4.706 1.00 0.00 C ATOM 142 O SER A 9 10.638 -10.737 -3.937 1.00 0.00 O ATOM 143 CB SER A 9 7.392 -11.031 -4.342 1.00 0.00 C ATOM 144 OG SER A 9 6.833 -11.030 -5.644 1.00 0.00 O ATOM 0 H SER A 9 8.608 -8.333 -5.576 1.00 0.00 H new ATOM 0 HA SER A 9 8.502 -9.624 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.881 -11.986 -4.152 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.600 -10.925 -3.601 1.00 0.00 H new ATOM 0 HG SER A 9 6.191 -11.766 -5.725 1.00 0.00 H new ATOM 150 N ASN A 10 9.895 -10.336 -6.026 1.00 0.00 N ATOM 151 CA ASN A 10 11.117 -10.768 -6.692 1.00 0.00 C ATOM 152 C ASN A 10 12.246 -9.753 -6.542 1.00 0.00 C ATOM 153 O ASN A 10 13.420 -10.123 -6.504 1.00 0.00 O ATOM 154 CB ASN A 10 10.824 -10.996 -8.171 1.00 0.00 C ATOM 155 CG ASN A 10 11.816 -11.935 -8.823 1.00 0.00 C ATOM 156 OD1 ASN A 10 12.324 -12.862 -8.193 1.00 0.00 O ATOM 157 ND2 ASN A 10 12.095 -11.695 -10.096 1.00 0.00 N ATOM 0 H ASN A 10 9.165 -10.020 -6.664 1.00 0.00 H new ATOM 0 HA ASN A 10 11.448 -11.693 -6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.819 -11.403 -8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.839 -10.039 -8.692 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.756 -12.291 -10.594 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.649 -10.914 -10.577 1.00 0.00 H new ATOM 164 N ILE A 11 11.887 -8.478 -6.469 1.00 0.00 N ATOM 165 CA ILE A 11 12.874 -7.413 -6.337 1.00 0.00 C ATOM 166 C ILE A 11 13.124 -7.050 -4.870 1.00 0.00 C ATOM 167 O ILE A 11 14.245 -6.710 -4.486 1.00 0.00 O ATOM 168 CB ILE A 11 12.419 -6.147 -7.078 1.00 0.00 C ATOM 169 CG1 ILE A 11 12.175 -6.436 -8.554 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.454 -5.043 -6.927 1.00 0.00 C ATOM 171 CD1 ILE A 11 13.404 -6.946 -9.270 1.00 0.00 C ATOM 0 H ILE A 11 10.920 -8.156 -6.499 1.00 0.00 H new ATOM 0 HA ILE A 11 13.798 -7.790 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 11 11.480 -5.816 -6.633 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.376 -7.172 -8.647 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.828 -5.526 -9.044 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.117 -4.153 -7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.584 -4.808 -5.871 1.00 0.00 H new ATOM 0 HG23 ILE A 11 14.404 -5.376 -7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.164 -7.133 -10.317 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.197 -6.201 -9.207 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.738 -7.873 -8.804 1.00 0.00 H new ATOM 183 N HIS A 12 12.076 -7.104 -4.059 1.00 0.00 N ATOM 184 CA HIS A 12 12.181 -6.768 -2.646 1.00 0.00 C ATOM 185 C HIS A 12 11.077 -7.487 -1.871 1.00 0.00 C ATOM 186 O HIS A 12 10.032 -7.822 -2.426 1.00 0.00 O ATOM 187 CB HIS A 12 12.095 -5.244 -2.477 1.00 0.00 C ATOM 188 CG HIS A 12 12.669 -4.671 -1.200 1.00 0.00 C ATOM 189 ND1 HIS A 12 14.011 -4.644 -0.864 1.00 0.00 N ATOM 190 CD2 HIS A 12 12.032 -4.024 -0.197 1.00 0.00 C ATOM 191 CE1 HIS A 12 14.130 -3.993 0.305 1.00 0.00 C ATOM 192 NE2 HIS A 12 12.960 -3.601 0.751 1.00 0.00 N ATOM 0 H HIS A 12 11.140 -7.378 -4.357 1.00 0.00 H new ATOM 0 HA HIS A 12 13.141 -7.097 -2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.606 -4.778 -3.319 1.00 0.00 H new ATOM 0 HB3 HIS A 12 11.047 -4.953 -2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.966 -3.860 -0.140 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.067 -3.815 0.812 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.770 -3.092 1.614 1.00 0.00 H new ATOM 200 N LYS A 13 11.343 -7.757 -0.606 1.00 0.00 N ATOM 201 CA LYS A 13 10.408 -8.483 0.262 1.00 0.00 C ATOM 202 C LYS A 13 9.029 -7.822 0.344 1.00 0.00 C ATOM 203 O LYS A 13 8.883 -6.632 0.066 1.00 0.00 O ATOM 204 CB LYS A 13 11.005 -8.610 1.667 1.00 0.00 C ATOM 205 CG LYS A 13 11.485 -10.016 1.993 1.00 0.00 C ATOM 206 CD LYS A 13 11.450 -10.300 3.487 1.00 0.00 C ATOM 207 CE LYS A 13 11.372 -11.793 3.752 1.00 0.00 C ATOM 208 NZ LYS A 13 9.962 -12.253 3.882 1.00 0.00 N ATOM 0 H LYS A 13 12.210 -7.483 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 13 10.261 -9.468 -0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.841 -7.917 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.257 -8.310 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.861 -10.742 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.502 -10.146 1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.341 -9.888 3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.591 -9.801 3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.858 -12.333 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.918 -12.030 4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.945 -13.209 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.440 -11.601 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.515 -12.271 2.943 1.00 0.00 H new ATOM 222 N CYS A 14 8.022 -8.619 0.751 1.00 0.00 N ATOM 223 CA CYS A 14 6.646 -8.133 0.901 1.00 0.00 C ATOM 224 C CYS A 14 5.734 -9.207 1.500 1.00 0.00 C ATOM 225 O CYS A 14 4.909 -9.786 0.794 1.00 0.00 O ATOM 226 CB CYS A 14 6.069 -7.698 -0.447 1.00 0.00 C ATOM 227 SG CYS A 14 4.666 -6.540 -0.321 1.00 0.00 S ATOM 0 H CYS A 14 8.142 -9.605 0.981 1.00 0.00 H new ATOM 0 HA CYS A 14 6.686 -7.279 1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.860 -7.231 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.746 -8.584 -0.994 1.00 0.00 H new ATOM 232 N VAL A 15 5.871 -9.470 2.797 1.00 0.00 N ATOM 233 CA VAL A 15 5.028 -10.474 3.442 1.00 0.00 C ATOM 234 C VAL A 15 3.761 -9.854 4.021 1.00 0.00 C ATOM 235 O VAL A 15 2.691 -10.462 3.990 1.00 0.00 O ATOM 236 CB VAL A 15 5.752 -11.229 4.573 1.00 0.00 C ATOM 237 CG1 VAL A 15 6.752 -12.231 4.019 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.423 -10.262 5.533 1.00 0.00 C ATOM 0 H VAL A 15 6.544 -9.012 3.412 1.00 0.00 H new ATOM 0 HA VAL A 15 4.775 -11.182 2.653 1.00 0.00 H new ATOM 0 HB VAL A 15 5.000 -11.788 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.245 -12.746 4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.231 -12.958 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.497 -11.708 3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.926 -10.822 6.321 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.154 -9.660 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.671 -9.608 5.976 1.00 0.00 H new ATOM 248 N TYR A 16 3.892 -8.650 4.573 1.00 0.00 N ATOM 249 CA TYR A 16 2.758 -7.959 5.182 1.00 0.00 C ATOM 250 C TYR A 16 1.665 -7.661 4.162 1.00 0.00 C ATOM 251 O TYR A 16 0.486 -7.584 4.510 1.00 0.00 O ATOM 252 CB TYR A 16 3.219 -6.656 5.838 1.00 0.00 C ATOM 253 CG TYR A 16 3.372 -6.753 7.339 1.00 0.00 C ATOM 254 CD1 TYR A 16 4.360 -7.548 7.906 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.530 -6.049 8.191 1.00 0.00 C ATOM 256 CE1 TYR A 16 4.504 -7.641 9.277 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.667 -6.135 9.563 1.00 0.00 C ATOM 258 CZ TYR A 16 3.656 -6.932 10.101 1.00 0.00 C ATOM 259 OH TYR A 16 3.797 -7.021 11.468 1.00 0.00 O ATOM 0 H TYR A 16 4.771 -8.133 4.611 1.00 0.00 H new ATOM 0 HA TYR A 16 2.342 -8.622 5.941 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.173 -6.358 5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.502 -5.869 5.605 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.027 -8.103 7.264 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.755 -5.424 7.773 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.276 -8.266 9.701 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.003 -5.581 10.211 1.00 0.00 H new ATOM 0 HH TYR A 16 3.122 -6.460 11.904 1.00 0.00 H new ATOM 269 N CYS A 17 2.052 -7.486 2.902 1.00 0.00 N ATOM 270 CA CYS A 17 1.082 -7.191 1.855 1.00 0.00 C ATOM 271 C CYS A 17 0.248 -8.426 1.531 1.00 0.00 C ATOM 272 O CYS A 17 -0.973 -8.343 1.403 1.00 0.00 O ATOM 273 CB CYS A 17 1.774 -6.659 0.596 1.00 0.00 C ATOM 274 SG CYS A 17 3.060 -7.758 -0.077 1.00 0.00 S ATOM 0 H CYS A 17 3.020 -7.543 2.584 1.00 0.00 H new ATOM 0 HA CYS A 17 0.414 -6.413 2.225 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.021 -6.488 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.222 -5.692 0.824 1.00 0.00 H new ATOM 279 N ASP A 18 0.905 -9.578 1.415 1.00 0.00 N ATOM 280 CA ASP A 18 0.204 -10.827 1.121 1.00 0.00 C ATOM 281 C ASP A 18 -0.934 -11.062 2.116 1.00 0.00 C ATOM 282 O ASP A 18 -1.964 -11.643 1.771 1.00 0.00 O ATOM 283 CB ASP A 18 1.176 -12.007 1.162 1.00 0.00 C ATOM 284 CG ASP A 18 1.842 -12.259 -0.177 1.00 0.00 C ATOM 285 OD1 ASP A 18 2.413 -11.303 -0.745 1.00 0.00 O ATOM 286 OD2 ASP A 18 1.792 -13.410 -0.658 1.00 0.00 O ATOM 0 H ASP A 18 1.915 -9.673 1.519 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.219 -10.746 0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.941 -11.817 1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.640 -12.904 1.472 1.00 0.00 H new ATOM 291 N ASN A 19 -0.740 -10.608 3.353 1.00 0.00 N ATOM 292 CA ASN A 19 -1.748 -10.768 4.397 1.00 0.00 C ATOM 293 C ASN A 19 -2.957 -9.879 4.125 1.00 0.00 C ATOM 294 O ASN A 19 -4.088 -10.358 4.047 1.00 0.00 O ATOM 295 CB ASN A 19 -1.157 -10.431 5.769 1.00 0.00 C ATOM 296 CG ASN A 19 0.179 -11.110 6.012 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.099 -10.510 6.568 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.292 -12.367 5.597 1.00 0.00 N ATOM 0 H ASN A 19 0.107 -10.126 3.656 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.071 -11.809 4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.032 -9.351 5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.859 -10.731 6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.167 -12.873 5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.496 -12.826 5.141 1.00 0.00 H new ATOM 305 N ALA A 20 -2.711 -8.580 3.982 1.00 0.00 N ATOM 306 CA ALA A 20 -3.783 -7.624 3.721 1.00 0.00 C ATOM 307 C ALA A 20 -4.546 -7.990 2.452 1.00 0.00 C ATOM 308 O ALA A 20 -5.745 -7.734 2.342 1.00 0.00 O ATOM 309 CB ALA A 20 -3.220 -6.214 3.612 1.00 0.00 C ATOM 0 H ALA A 20 -1.781 -8.166 4.042 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.480 -7.660 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.031 -5.512 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.725 -5.947 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.500 -6.172 2.795 1.00 0.00 H new ATOM 315 N LYS A 21 -3.845 -8.597 1.501 1.00 0.00 N ATOM 316 CA LYS A 21 -4.454 -9.003 0.241 1.00 0.00 C ATOM 317 C LYS A 21 -5.574 -10.007 0.484 1.00 0.00 C ATOM 318 O LYS A 21 -6.715 -9.794 0.076 1.00 0.00 O ATOM 319 CB LYS A 21 -3.395 -9.612 -0.680 1.00 0.00 C ATOM 320 CG LYS A 21 -3.554 -9.219 -2.139 1.00 0.00 C ATOM 321 CD LYS A 21 -4.144 -10.353 -2.961 1.00 0.00 C ATOM 322 CE LYS A 21 -4.252 -9.980 -4.431 1.00 0.00 C ATOM 323 NZ LYS A 21 -3.869 -11.111 -5.322 1.00 0.00 N ATOM 0 H LYS A 21 -2.853 -8.819 1.580 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.879 -8.121 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.407 -9.305 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.437 -10.698 -0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.197 -8.342 -2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.584 -8.938 -2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.522 -11.242 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.131 -10.607 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.274 -9.673 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.610 -9.123 -4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.956 -10.815 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.885 -11.388 -5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.498 -11.920 -5.145 1.00 0.00 H new ATOM 337 N ARG A 22 -5.239 -11.105 1.157 1.00 0.00 N ATOM 338 CA ARG A 22 -6.218 -12.144 1.459 1.00 0.00 C ATOM 339 C ARG A 22 -7.351 -11.582 2.308 1.00 0.00 C ATOM 340 O ARG A 22 -8.506 -11.989 2.173 1.00 0.00 O ATOM 341 CB ARG A 22 -5.549 -13.314 2.183 1.00 0.00 C ATOM 342 CG ARG A 22 -4.874 -12.919 3.487 1.00 0.00 C ATOM 343 CD ARG A 22 -4.615 -14.130 4.368 1.00 0.00 C ATOM 344 NE ARG A 22 -3.893 -13.775 5.587 1.00 0.00 N ATOM 345 CZ ARG A 22 -3.848 -14.545 6.673 1.00 0.00 C ATOM 346 NH1 ARG A 22 -4.482 -15.711 6.694 1.00 0.00 N ATOM 347 NH2 ARG A 22 -3.167 -14.147 7.739 1.00 0.00 N ATOM 0 H ARG A 22 -4.299 -11.297 1.503 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.634 -12.505 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.298 -14.079 2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.808 -13.763 1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.931 -12.415 3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.502 -12.206 4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.564 -14.596 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.041 -14.869 3.809 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.394 -12.886 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.007 -16.021 5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.444 -16.297 7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.678 -13.252 7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.132 -14.736 8.571 1.00 0.00 H new ATOM 361 N LEU A 23 -7.013 -10.636 3.179 1.00 0.00 N ATOM 362 CA LEU A 23 -7.998 -10.004 4.048 1.00 0.00 C ATOM 363 C LEU A 23 -9.086 -9.335 3.216 1.00 0.00 C ATOM 364 O LEU A 23 -10.275 -9.596 3.400 1.00 0.00 O ATOM 365 CB LEU A 23 -7.312 -8.974 4.955 1.00 0.00 C ATOM 366 CG LEU A 23 -8.241 -7.967 5.640 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.588 -7.413 6.896 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.603 -6.837 4.686 1.00 0.00 C ATOM 0 H LEU A 23 -6.061 -10.290 3.301 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.461 -10.769 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.756 -9.509 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.584 -8.422 4.361 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.158 -8.483 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.261 -6.699 7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.378 -8.229 7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.656 -6.913 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.263 -6.132 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.695 -6.322 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.110 -7.247 3.812 1.00 0.00 H new ATOM 380 N LEU A 24 -8.668 -8.474 2.294 1.00 0.00 N ATOM 381 CA LEU A 24 -9.602 -7.766 1.427 1.00 0.00 C ATOM 382 C LEU A 24 -10.499 -8.750 0.685 1.00 0.00 C ATOM 383 O LEU A 24 -11.711 -8.556 0.599 1.00 0.00 O ATOM 384 CB LEU A 24 -8.838 -6.892 0.432 1.00 0.00 C ATOM 385 CG LEU A 24 -8.136 -5.682 1.051 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.786 -5.451 0.393 1.00 0.00 C ATOM 387 CD2 LEU A 24 -9.005 -4.443 0.929 1.00 0.00 C ATOM 0 H LEU A 24 -7.687 -8.250 2.128 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.232 -7.127 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.094 -7.507 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.533 -6.541 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.971 -5.886 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.303 -4.586 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.158 -6.331 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.927 -5.270 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.490 -3.592 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.201 -4.238 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.949 -4.608 1.448 1.00 0.00 H new ATOM 399 N THR A 25 -9.898 -9.817 0.164 1.00 0.00 N ATOM 400 CA THR A 25 -10.649 -10.840 -0.553 1.00 0.00 C ATOM 401 C THR A 25 -11.737 -11.413 0.348 1.00 0.00 C ATOM 402 O THR A 25 -12.837 -11.727 -0.103 1.00 0.00 O ATOM 403 CB THR A 25 -9.716 -11.955 -1.026 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.630 -11.422 -1.764 1.00 0.00 O ATOM 405 CG2 THR A 25 -10.403 -12.982 -1.900 1.00 0.00 C ATOM 0 H THR A 25 -8.895 -9.994 0.226 1.00 0.00 H new ATOM 0 HA THR A 25 -11.114 -10.384 -1.427 1.00 0.00 H new ATOM 0 HB THR A 25 -9.373 -12.447 -0.116 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.980 -11.024 -1.148 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.684 -13.744 -2.200 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.215 -13.449 -1.343 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.806 -12.494 -2.787 1.00 0.00 H new ATOM 413 N VAL A 26 -11.415 -11.526 1.633 1.00 0.00 N ATOM 414 CA VAL A 26 -12.352 -12.042 2.621 1.00 0.00 C ATOM 415 C VAL A 26 -13.343 -10.957 3.033 1.00 0.00 C ATOM 416 O VAL A 26 -14.487 -11.245 3.388 1.00 0.00 O ATOM 417 CB VAL A 26 -11.612 -12.555 3.873 1.00 0.00 C ATOM 418 CG1 VAL A 26 -12.584 -13.183 4.859 1.00 0.00 C ATOM 419 CG2 VAL A 26 -10.527 -13.546 3.481 1.00 0.00 C ATOM 0 H VAL A 26 -10.506 -11.265 2.015 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.889 -12.873 2.164 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.140 -11.703 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.038 -13.537 5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.320 -12.441 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.092 -14.022 4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.015 -13.898 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.978 -14.393 2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.810 -13.058 2.821 1.00 0.00 H new ATOM 429 N LYS A 27 -12.893 -9.707 2.975 1.00 0.00 N ATOM 430 CA LYS A 27 -13.732 -8.570 3.332 1.00 0.00 C ATOM 431 C LYS A 27 -14.680 -8.206 2.188 1.00 0.00 C ATOM 432 O LYS A 27 -15.623 -7.438 2.374 1.00 0.00 O ATOM 433 CB LYS A 27 -12.858 -7.362 3.690 1.00 0.00 C ATOM 434 CG LYS A 27 -13.083 -6.837 5.101 1.00 0.00 C ATOM 435 CD LYS A 27 -11.945 -7.226 6.032 1.00 0.00 C ATOM 436 CE LYS A 27 -12.464 -7.775 7.351 1.00 0.00 C ATOM 437 NZ LYS A 27 -11.413 -8.518 8.097 1.00 0.00 N ATOM 0 H LYS A 27 -11.948 -9.456 2.683 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.332 -8.850 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.810 -7.638 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.054 -6.560 2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.177 -5.751 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.022 -7.229 5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.317 -7.974 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.316 -6.356 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.833 -6.954 7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.310 -8.436 7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.808 -8.876 8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.078 -9.317 7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.617 -7.881 8.301 1.00 0.00 H new ATOM 451 N LYS A 28 -14.423 -8.760 1.002 1.00 0.00 N ATOM 452 CA LYS A 28 -15.251 -8.492 -0.170 1.00 0.00 C ATOM 453 C LYS A 28 -15.069 -7.053 -0.646 1.00 0.00 C ATOM 454 O LYS A 28 -16.013 -6.263 -0.649 1.00 0.00 O ATOM 455 CB LYS A 28 -16.726 -8.761 0.142 1.00 0.00 C ATOM 456 CG LYS A 28 -16.969 -10.106 0.807 1.00 0.00 C ATOM 457 CD LYS A 28 -17.006 -11.234 -0.213 1.00 0.00 C ATOM 458 CE LYS A 28 -16.306 -12.479 0.306 1.00 0.00 C ATOM 459 NZ LYS A 28 -15.855 -13.365 -0.801 1.00 0.00 N ATOM 0 H LYS A 28 -13.646 -9.398 0.830 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.933 -9.162 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.102 -7.970 0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.300 -8.713 -0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.183 -10.300 1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.911 -10.078 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.042 -11.472 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.529 -10.906 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.447 -12.187 0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.983 -13.030 0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.383 -14.203 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.677 -13.665 -1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.189 -12.848 -1.410 1.00 0.00 H new ATOM 473 N GLN A 29 -13.846 -6.722 -1.046 1.00 0.00 N ATOM 474 CA GLN A 29 -13.535 -5.381 -1.519 1.00 0.00 C ATOM 475 C GLN A 29 -12.548 -5.426 -2.684 1.00 0.00 C ATOM 476 O GLN A 29 -11.589 -6.196 -2.662 1.00 0.00 O ATOM 477 CB GLN A 29 -12.950 -4.547 -0.376 1.00 0.00 C ATOM 478 CG GLN A 29 -13.996 -3.777 0.416 1.00 0.00 C ATOM 479 CD GLN A 29 -14.687 -2.710 -0.409 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.079 -1.709 -0.785 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.969 -2.919 -0.691 1.00 0.00 N ATOM 0 H GLN A 29 -13.055 -7.365 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.459 -4.921 -1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.406 -5.206 0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.226 -3.843 -0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.742 -4.474 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.522 -3.312 1.280 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.433 -3.764 -0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.489 -2.234 -1.240 1.00 0.00 H new ATOM 490 N PRO A 30 -12.759 -4.588 -3.716 1.00 0.00 N ATOM 491 CA PRO A 30 -11.872 -4.533 -4.880 1.00 0.00 C ATOM 492 C PRO A 30 -10.623 -3.714 -4.589 1.00 0.00 C ATOM 493 O PRO A 30 -10.708 -2.644 -3.988 1.00 0.00 O ATOM 494 CB PRO A 30 -12.732 -3.827 -5.922 1.00 0.00 C ATOM 495 CG PRO A 30 -13.554 -2.886 -5.115 1.00 0.00 C ATOM 496 CD PRO A 30 -13.869 -3.617 -3.834 1.00 0.00 C ATOM 0 HA PRO A 30 -11.516 -5.516 -5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.122 -3.299 -6.655 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.354 -4.532 -6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.010 -1.963 -4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.467 -2.611 -5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.903 -2.939 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.837 -4.116 -3.883 1.00 0.00 H new ATOM 504 N PHE A 31 -9.467 -4.209 -5.008 1.00 0.00 N ATOM 505 CA PHE A 31 -8.224 -3.494 -4.763 1.00 0.00 C ATOM 506 C PHE A 31 -7.159 -3.793 -5.814 1.00 0.00 C ATOM 507 O PHE A 31 -7.315 -4.697 -6.635 1.00 0.00 O ATOM 508 CB PHE A 31 -7.697 -3.827 -3.393 1.00 0.00 C ATOM 509 CG PHE A 31 -7.261 -5.244 -3.280 1.00 0.00 C ATOM 510 CD1 PHE A 31 -6.015 -5.625 -3.729 1.00 0.00 C ATOM 511 CD2 PHE A 31 -8.106 -6.196 -2.749 1.00 0.00 C ATOM 512 CE1 PHE A 31 -5.611 -6.938 -3.647 1.00 0.00 C ATOM 513 CE2 PHE A 31 -7.714 -7.513 -2.664 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.463 -7.888 -3.114 1.00 0.00 C ATOM 0 H PHE A 31 -9.364 -5.090 -5.512 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.451 -2.430 -4.825 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.857 -3.172 -3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.471 -3.628 -2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.349 -4.886 -4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.085 -5.906 -2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.631 -7.226 -3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.383 -8.251 -2.247 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.151 -8.920 -3.050 1.00 0.00 H new ATOM 524 N GLU A 32 -6.064 -3.030 -5.771 1.00 0.00 N ATOM 525 CA GLU A 32 -4.962 -3.218 -6.710 1.00 0.00 C ATOM 526 C GLU A 32 -3.628 -2.868 -6.059 1.00 0.00 C ATOM 527 O GLU A 32 -3.549 -1.969 -5.224 1.00 0.00 O ATOM 528 CB GLU A 32 -5.166 -2.360 -7.963 1.00 0.00 C ATOM 529 CG GLU A 32 -5.603 -3.157 -9.181 1.00 0.00 C ATOM 530 CD GLU A 32 -5.853 -2.283 -10.393 1.00 0.00 C ATOM 531 OE1 GLU A 32 -4.977 -1.455 -10.719 1.00 0.00 O ATOM 532 OE2 GLU A 32 -6.927 -2.423 -11.015 1.00 0.00 O ATOM 0 H GLU A 32 -5.920 -2.279 -5.097 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.947 -4.269 -6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.914 -1.595 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.236 -1.841 -8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.837 -3.894 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.512 -3.708 -8.942 1.00 0.00 H new ATOM 539 N PHE A 33 -2.582 -3.589 -6.449 1.00 0.00 N ATOM 540 CA PHE A 33 -1.255 -3.365 -5.910 1.00 0.00 C ATOM 541 C PHE A 33 -0.495 -2.328 -6.731 1.00 0.00 C ATOM 542 O PHE A 33 -0.824 -2.076 -7.890 1.00 0.00 O ATOM 543 CB PHE A 33 -0.478 -4.677 -5.895 1.00 0.00 C ATOM 544 CG PHE A 33 0.709 -4.642 -4.992 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.542 -4.691 -3.624 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.987 -4.550 -5.510 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.632 -4.653 -2.780 1.00 0.00 C ATOM 548 CE2 PHE A 33 3.085 -4.508 -4.672 1.00 0.00 C ATOM 549 CZ PHE A 33 2.906 -4.560 -3.303 1.00 0.00 C ATOM 0 H PHE A 33 -2.634 -4.337 -7.141 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.359 -2.986 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.142 -5.482 -5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.150 -4.910 -6.908 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.453 -4.760 -3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.129 -4.511 -6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.489 -4.696 -1.710 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.080 -4.435 -5.086 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.761 -4.528 -2.644 1.00 0.00 H new ATOM 559 N ILE A 34 0.528 -1.736 -6.121 1.00 0.00 N ATOM 560 CA ILE A 34 1.349 -0.735 -6.791 1.00 0.00 C ATOM 561 C ILE A 34 2.794 -0.838 -6.333 1.00 0.00 C ATOM 562 O ILE A 34 3.098 -0.703 -5.149 1.00 0.00 O ATOM 563 CB ILE A 34 0.851 0.696 -6.535 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.671 0.764 -6.647 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.503 1.662 -7.512 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.261 2.037 -6.085 1.00 0.00 C ATOM 0 H ILE A 34 0.808 -1.934 -5.160 1.00 0.00 H new ATOM 0 HA ILE A 34 1.276 -0.939 -7.859 1.00 0.00 H new ATOM 0 HB ILE A 34 1.131 0.985 -5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.955 0.674 -7.696 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.104 -0.089 -6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.142 2.672 -7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.585 1.633 -7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.250 1.374 -8.532 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.345 2.017 -6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.008 2.120 -5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.856 2.894 -6.623 1.00 0.00 H new ATOM 578 N ASN A 35 3.675 -1.082 -7.286 1.00 0.00 N ATOM 579 CA ASN A 35 5.099 -1.212 -7.003 1.00 0.00 C ATOM 580 C ASN A 35 5.821 0.115 -7.205 1.00 0.00 C ATOM 581 O ASN A 35 5.839 0.664 -8.308 1.00 0.00 O ATOM 582 CB ASN A 35 5.721 -2.287 -7.897 1.00 0.00 C ATOM 583 CG ASN A 35 6.971 -2.892 -7.291 1.00 0.00 C ATOM 584 OD1 ASN A 35 7.396 -2.506 -6.203 1.00 0.00 O ATOM 585 ND2 ASN A 35 7.570 -3.845 -7.995 1.00 0.00 N ATOM 0 H ASN A 35 3.431 -1.195 -8.270 1.00 0.00 H new ATOM 0 HA ASN A 35 5.210 -1.507 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.989 -3.075 -8.075 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.964 -1.853 -8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.417 -4.287 -7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.183 -4.135 -8.893 1.00 0.00 H new ATOM 592 N ILE A 36 6.418 0.621 -6.133 1.00 0.00 N ATOM 593 CA ILE A 36 7.152 1.879 -6.186 1.00 0.00 C ATOM 594 C ILE A 36 8.534 1.682 -6.809 1.00 0.00 C ATOM 595 O ILE A 36 9.179 2.642 -7.232 1.00 0.00 O ATOM 596 CB ILE A 36 7.320 2.487 -4.780 1.00 0.00 C ATOM 597 CG1 ILE A 36 8.093 1.522 -3.877 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.961 2.812 -4.176 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.357 2.067 -2.490 1.00 0.00 C ATOM 0 H ILE A 36 6.408 0.178 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 36 6.570 2.562 -6.805 1.00 0.00 H new ATOM 0 HB ILE A 36 7.888 3.414 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.533 0.591 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.045 1.279 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.097 3.241 -3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.442 3.529 -4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.369 1.900 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.908 1.329 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.944 2.982 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.409 2.283 -1.997 1.00 0.00 H new ATOM 611 N MET A 37 8.982 0.432 -6.852 1.00 0.00 N ATOM 612 CA MET A 37 10.282 0.103 -7.411 1.00 0.00 C ATOM 613 C MET A 37 10.135 -0.897 -8.556 1.00 0.00 C ATOM 614 O MET A 37 10.116 -2.108 -8.334 1.00 0.00 O ATOM 615 CB MET A 37 11.185 -0.468 -6.314 1.00 0.00 C ATOM 616 CG MET A 37 12.653 -0.557 -6.699 1.00 0.00 C ATOM 617 SD MET A 37 13.562 -1.743 -5.685 1.00 0.00 S ATOM 618 CE MET A 37 13.654 -0.858 -4.131 1.00 0.00 C ATOM 0 H MET A 37 8.459 -0.371 -6.504 1.00 0.00 H new ATOM 0 HA MET A 37 10.736 1.010 -7.809 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.092 0.152 -5.423 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.830 -1.464 -6.048 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.734 -0.843 -7.748 1.00 0.00 H new ATOM 0 HG3 MET A 37 13.112 0.427 -6.601 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.463 -1.547 -3.308 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.647 -0.424 -4.018 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.907 -0.064 -4.120 1.00 0.00 H new ATOM 628 N PRO A 38 10.012 -0.400 -9.802 1.00 0.00 N ATOM 629 CA PRO A 38 9.851 -1.248 -10.983 1.00 0.00 C ATOM 630 C PRO A 38 11.179 -1.756 -11.539 1.00 0.00 C ATOM 631 O PRO A 38 11.253 -2.195 -12.687 1.00 0.00 O ATOM 632 CB PRO A 38 9.185 -0.304 -11.978 1.00 0.00 C ATOM 633 CG PRO A 38 9.742 1.038 -11.642 1.00 0.00 C ATOM 634 CD PRO A 38 10.003 1.034 -10.156 1.00 0.00 C ATOM 0 HA PRO A 38 9.284 -2.153 -10.764 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.414 -0.584 -13.006 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.100 -0.321 -11.877 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.661 1.226 -12.197 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.040 1.828 -11.910 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.953 1.511 -9.916 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.228 1.575 -9.613 1.00 0.00 H new ATOM 642 N GLU A 39 12.224 -1.701 -10.720 1.00 0.00 N ATOM 643 CA GLU A 39 13.543 -2.161 -11.132 1.00 0.00 C ATOM 644 C GLU A 39 14.221 -2.914 -9.995 1.00 0.00 C ATOM 645 O GLU A 39 13.789 -2.836 -8.848 1.00 0.00 O ATOM 646 CB GLU A 39 14.411 -0.977 -11.557 1.00 0.00 C ATOM 647 CG GLU A 39 14.177 -0.530 -12.990 1.00 0.00 C ATOM 648 CD GLU A 39 14.539 0.926 -13.212 1.00 0.00 C ATOM 649 OE1 GLU A 39 15.709 1.202 -13.555 1.00 0.00 O ATOM 650 OE2 GLU A 39 13.655 1.790 -13.040 1.00 0.00 O ATOM 0 H GLU A 39 12.182 -1.342 -9.766 1.00 0.00 H new ATOM 0 HA GLU A 39 13.422 -2.834 -11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.218 -0.138 -10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.460 -1.246 -11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.766 -1.154 -13.662 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.129 -0.684 -13.248 1.00 0.00 H new ATOM 657 N LYS A 40 15.287 -3.638 -10.324 1.00 0.00 N ATOM 658 CA LYS A 40 16.030 -4.417 -9.334 1.00 0.00 C ATOM 659 C LYS A 40 16.628 -3.551 -8.234 1.00 0.00 C ATOM 660 O LYS A 40 17.168 -4.058 -7.251 1.00 0.00 O ATOM 661 CB LYS A 40 17.124 -5.245 -10.009 1.00 0.00 C ATOM 662 CG LYS A 40 17.832 -6.204 -9.066 1.00 0.00 C ATOM 663 CD LYS A 40 18.698 -7.195 -9.825 1.00 0.00 C ATOM 664 CE LYS A 40 19.699 -7.878 -8.907 1.00 0.00 C ATOM 665 NZ LYS A 40 19.915 -9.302 -9.281 1.00 0.00 N ATOM 0 H LYS A 40 15.658 -3.702 -11.272 1.00 0.00 H new ATOM 0 HA LYS A 40 15.312 -5.087 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.684 -5.813 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.860 -4.571 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.450 -5.639 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.094 -6.744 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.065 -7.946 -10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 40 19.229 -6.678 -10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 40 20.649 -7.345 -8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.344 -7.823 -7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.604 -9.731 -8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.014 -9.817 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.278 -9.354 -10.254 1.00 0.00 H new ATOM 679 N GLY A 41 16.533 -2.254 -8.413 1.00 0.00 N ATOM 680 CA GLY A 41 17.063 -1.326 -7.433 1.00 0.00 C ATOM 681 C GLY A 41 16.879 0.125 -7.835 1.00 0.00 C ATOM 682 O GLY A 41 17.821 0.915 -7.767 1.00 0.00 O ATOM 0 H GLY A 41 16.096 -1.816 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.572 -1.497 -6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.125 -1.526 -7.288 1.00 0.00 H new ATOM 686 N VAL A 42 15.667 0.481 -8.253 1.00 0.00 N ATOM 687 CA VAL A 42 15.384 1.854 -8.659 1.00 0.00 C ATOM 688 C VAL A 42 13.932 2.243 -8.412 1.00 0.00 C ATOM 689 O VAL A 42 13.012 1.704 -9.026 1.00 0.00 O ATOM 690 CB VAL A 42 15.699 2.089 -10.142 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.733 3.577 -10.452 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.013 1.426 -10.526 1.00 0.00 C ATOM 0 H VAL A 42 14.873 -0.155 -8.319 1.00 0.00 H new ATOM 0 HA VAL A 42 16.032 2.477 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 42 14.906 1.635 -10.736 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.958 3.724 -11.508 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.763 4.019 -10.223 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.502 4.057 -9.847 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.216 1.606 -11.582 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.821 1.844 -9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.945 0.353 -10.347 1.00 0.00 H new ATOM 702 N PHE A 43 13.750 3.198 -7.517 1.00 0.00 N ATOM 703 CA PHE A 43 12.426 3.710 -7.175 1.00 0.00 C ATOM 704 C PHE A 43 11.823 4.485 -8.348 1.00 0.00 C ATOM 705 O PHE A 43 12.548 5.045 -9.171 1.00 0.00 O ATOM 706 CB PHE A 43 12.520 4.628 -5.953 1.00 0.00 C ATOM 707 CG PHE A 43 12.078 3.980 -4.676 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.344 2.646 -4.437 1.00 0.00 C ATOM 709 CD2 PHE A 43 11.396 4.709 -3.713 1.00 0.00 C ATOM 710 CE1 PHE A 43 11.942 2.046 -3.264 1.00 0.00 C ATOM 711 CE2 PHE A 43 10.990 4.112 -2.535 1.00 0.00 C ATOM 712 CZ PHE A 43 11.263 2.779 -2.311 1.00 0.00 C ATOM 0 H PHE A 43 14.512 3.643 -7.005 1.00 0.00 H new ATOM 0 HA PHE A 43 11.781 2.861 -6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.551 4.965 -5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.912 5.515 -6.129 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.874 2.066 -5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.180 5.753 -3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.158 1.002 -3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.460 4.688 -1.791 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.946 2.309 -1.392 1.00 0.00 H new ATOM 722 N ASP A 44 10.494 4.525 -8.410 1.00 0.00 N ATOM 723 CA ASP A 44 9.792 5.240 -9.476 1.00 0.00 C ATOM 724 C ASP A 44 9.365 6.633 -9.011 1.00 0.00 C ATOM 725 O ASP A 44 8.297 6.798 -8.423 1.00 0.00 O ATOM 726 CB ASP A 44 8.563 4.444 -9.922 1.00 0.00 C ATOM 727 CG ASP A 44 8.379 4.457 -11.427 1.00 0.00 C ATOM 728 OD1 ASP A 44 8.939 5.358 -12.084 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.676 3.566 -11.947 1.00 0.00 O ATOM 0 H ASP A 44 9.880 4.070 -7.734 1.00 0.00 H new ATOM 0 HA ASP A 44 10.476 5.351 -10.318 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.657 3.414 -9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.674 4.858 -9.447 1.00 0.00 H new ATOM 734 N ASP A 45 10.203 7.632 -9.282 1.00 0.00 N ATOM 735 CA ASP A 45 9.912 9.011 -8.887 1.00 0.00 C ATOM 736 C ASP A 45 8.507 9.436 -9.311 1.00 0.00 C ATOM 737 O ASP A 45 7.906 10.318 -8.698 1.00 0.00 O ATOM 738 CB ASP A 45 10.944 9.966 -9.491 1.00 0.00 C ATOM 739 CG ASP A 45 11.122 9.758 -10.982 1.00 0.00 C ATOM 740 OD1 ASP A 45 10.264 10.236 -11.755 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.119 9.117 -11.377 1.00 0.00 O ATOM 0 H ASP A 45 11.089 7.513 -9.773 1.00 0.00 H new ATOM 0 HA ASP A 45 9.966 9.057 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.635 10.995 -9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.902 9.825 -8.990 1.00 0.00 H new ATOM 746 N GLU A 46 7.989 8.809 -10.363 1.00 0.00 N ATOM 747 CA GLU A 46 6.654 9.132 -10.861 1.00 0.00 C ATOM 748 C GLU A 46 5.607 8.937 -9.770 1.00 0.00 C ATOM 749 O GLU A 46 4.779 9.814 -9.526 1.00 0.00 O ATOM 750 CB GLU A 46 6.312 8.269 -12.076 1.00 0.00 C ATOM 751 CG GLU A 46 7.464 8.111 -13.052 1.00 0.00 C ATOM 752 CD GLU A 46 6.999 7.951 -14.486 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.803 8.981 -15.165 1.00 0.00 O ATOM 754 OE2 GLU A 46 6.830 6.796 -14.930 1.00 0.00 O ATOM 0 H GLU A 46 8.470 8.077 -10.886 1.00 0.00 H new ATOM 0 HA GLU A 46 6.650 10.180 -11.161 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.998 7.283 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.463 8.710 -12.597 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.117 8.981 -12.981 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.059 7.243 -12.768 1.00 0.00 H new ATOM 761 N LYS A 47 5.658 7.785 -9.109 1.00 0.00 N ATOM 762 CA LYS A 47 4.719 7.482 -8.038 1.00 0.00 C ATOM 763 C LYS A 47 5.113 8.216 -6.762 1.00 0.00 C ATOM 764 O LYS A 47 4.275 8.829 -6.102 1.00 0.00 O ATOM 765 CB LYS A 47 4.666 5.974 -7.776 1.00 0.00 C ATOM 766 CG LYS A 47 4.734 5.130 -9.039 1.00 0.00 C ATOM 767 CD LYS A 47 4.562 3.652 -8.731 1.00 0.00 C ATOM 768 CE LYS A 47 3.913 2.913 -9.890 1.00 0.00 C ATOM 769 NZ LYS A 47 4.698 3.051 -11.147 1.00 0.00 N ATOM 0 H LYS A 47 6.338 7.048 -9.296 1.00 0.00 H new ATOM 0 HA LYS A 47 3.730 7.818 -8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.493 5.699 -7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.745 5.739 -7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.958 5.451 -9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.692 5.291 -9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.534 3.209 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.951 3.535 -7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.815 1.857 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.906 3.298 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.591 2.189 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.350 3.870 -11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.702 3.191 -10.916 1.00 0.00 H new ATOM 783 N ILE A 48 6.399 8.160 -6.427 1.00 0.00 N ATOM 784 CA ILE A 48 6.909 8.825 -5.233 1.00 0.00 C ATOM 785 C ILE A 48 6.551 10.311 -5.243 1.00 0.00 C ATOM 786 O ILE A 48 6.152 10.869 -4.222 1.00 0.00 O ATOM 787 CB ILE A 48 8.442 8.657 -5.111 1.00 0.00 C ATOM 788 CG1 ILE A 48 8.784 7.219 -4.714 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.023 9.638 -4.098 1.00 0.00 C ATOM 790 CD1 ILE A 48 9.172 6.344 -5.886 1.00 0.00 C ATOM 0 H ILE A 48 7.107 7.661 -6.966 1.00 0.00 H new ATOM 0 HA ILE A 48 6.438 8.354 -4.370 1.00 0.00 H new ATOM 0 HB ILE A 48 8.887 8.873 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.604 7.234 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.926 6.776 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.102 9.497 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.809 10.658 -4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.574 9.460 -3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.401 5.340 -5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.345 6.298 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.050 6.763 -6.378 1.00 0.00 H new ATOM 802 N ALA A 49 6.691 10.944 -6.404 1.00 0.00 N ATOM 803 CA ALA A 49 6.376 12.360 -6.541 1.00 0.00 C ATOM 804 C ALA A 49 4.898 12.611 -6.266 1.00 0.00 C ATOM 805 O ALA A 49 4.542 13.425 -5.413 1.00 0.00 O ATOM 806 CB ALA A 49 6.750 12.853 -7.930 1.00 0.00 C ATOM 0 H ALA A 49 7.020 10.499 -7.261 1.00 0.00 H new ATOM 0 HA ALA A 49 6.959 12.915 -5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.509 13.912 -8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.818 12.710 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.191 12.291 -8.678 1.00 0.00 H new ATOM 812 N GLU A 50 4.043 11.897 -6.990 1.00 0.00 N ATOM 813 CA GLU A 50 2.601 12.031 -6.824 1.00 0.00 C ATOM 814 C GLU A 50 2.188 11.639 -5.409 1.00 0.00 C ATOM 815 O GLU A 50 1.311 12.262 -4.812 1.00 0.00 O ATOM 816 CB GLU A 50 1.867 11.159 -7.848 1.00 0.00 C ATOM 817 CG GLU A 50 0.374 11.024 -7.585 1.00 0.00 C ATOM 818 CD GLU A 50 -0.468 11.368 -8.798 1.00 0.00 C ATOM 819 OE1 GLU A 50 -0.831 12.553 -8.952 1.00 0.00 O ATOM 820 OE2 GLU A 50 -0.761 10.454 -9.596 1.00 0.00 O ATOM 0 H GLU A 50 4.324 11.219 -7.698 1.00 0.00 H new ATOM 0 HA GLU A 50 2.329 13.074 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.014 11.581 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.316 10.166 -7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.155 10.003 -7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.095 11.676 -6.757 1.00 0.00 H new ATOM 827 N LEU A 51 2.834 10.606 -4.875 1.00 0.00 N ATOM 828 CA LEU A 51 2.538 10.126 -3.536 1.00 0.00 C ATOM 829 C LEU A 51 2.718 11.243 -2.516 1.00 0.00 C ATOM 830 O LEU A 51 1.823 11.518 -1.718 1.00 0.00 O ATOM 831 CB LEU A 51 3.446 8.940 -3.202 1.00 0.00 C ATOM 832 CG LEU A 51 3.026 8.079 -2.003 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.989 8.274 -0.849 1.00 0.00 C ATOM 834 CD2 LEU A 51 1.599 8.382 -1.565 1.00 0.00 C ATOM 0 H LEU A 51 3.569 10.086 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 51 1.499 9.798 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.506 8.297 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.450 9.320 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 51 3.059 7.036 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.677 7.657 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.993 7.984 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.991 9.322 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.338 7.753 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.521 9.431 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.915 8.180 -2.389 1.00 0.00 H new ATOM 846 N LEU A 52 3.875 11.900 -2.559 1.00 0.00 N ATOM 847 CA LEU A 52 4.162 12.997 -1.652 1.00 0.00 C ATOM 848 C LEU A 52 3.020 14.001 -1.649 1.00 0.00 C ATOM 849 O LEU A 52 2.537 14.414 -0.595 1.00 0.00 O ATOM 850 CB LEU A 52 5.449 13.655 -2.062 1.00 0.00 C ATOM 851 CG LEU A 52 6.660 12.797 -1.764 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.880 13.458 -2.309 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.789 12.554 -0.270 1.00 0.00 C ATOM 0 H LEU A 52 4.627 11.688 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 52 4.266 12.609 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.417 13.874 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.547 14.609 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 52 6.542 11.826 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.754 12.842 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.777 13.580 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.003 14.436 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.665 11.935 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.897 13.508 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.897 12.044 0.094 1.00 0.00 H new ATOM 865 N THR A 53 2.577 14.364 -2.847 1.00 0.00 N ATOM 866 CA THR A 53 1.471 15.298 -3.003 1.00 0.00 C ATOM 867 C THR A 53 0.170 14.634 -2.565 1.00 0.00 C ATOM 868 O THR A 53 -0.710 15.277 -1.994 1.00 0.00 O ATOM 869 CB THR A 53 1.364 15.758 -4.457 1.00 0.00 C ATOM 870 OG1 THR A 53 2.568 16.374 -4.877 1.00 0.00 O ATOM 871 CG2 THR A 53 0.238 16.741 -4.694 1.00 0.00 C ATOM 0 H THR A 53 2.968 14.024 -3.726 1.00 0.00 H new ATOM 0 HA THR A 53 1.655 16.171 -2.377 1.00 0.00 H new ATOM 0 HB THR A 53 1.161 14.854 -5.031 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.481 16.660 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.219 17.026 -5.746 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.712 16.278 -4.426 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.394 17.628 -4.081 1.00 0.00 H new ATOM 879 N LYS A 54 0.067 13.334 -2.830 1.00 0.00 N ATOM 880 CA LYS A 54 -1.115 12.565 -2.459 1.00 0.00 C ATOM 881 C LYS A 54 -1.306 12.580 -0.946 1.00 0.00 C ATOM 882 O LYS A 54 -2.431 12.531 -0.450 1.00 0.00 O ATOM 883 CB LYS A 54 -0.992 11.120 -2.958 1.00 0.00 C ATOM 884 CG LYS A 54 -2.327 10.485 -3.305 1.00 0.00 C ATOM 885 CD LYS A 54 -2.191 9.488 -4.444 1.00 0.00 C ATOM 886 CE LYS A 54 -3.179 8.342 -4.301 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.588 8.806 -4.424 1.00 0.00 N ATOM 0 H LYS A 54 0.790 12.791 -3.301 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.985 13.025 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.350 11.101 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.501 10.520 -2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.731 9.982 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.039 11.262 -3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.355 9.995 -5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.175 9.094 -4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.976 7.590 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.039 7.860 -3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.231 7.995 -4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.790 9.504 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.729 9.243 -5.357 1.00 0.00 H new ATOM 901 N LEU A 55 -0.195 12.651 -0.222 1.00 0.00 N ATOM 902 CA LEU A 55 -0.226 12.679 1.234 1.00 0.00 C ATOM 903 C LEU A 55 -0.731 14.027 1.736 1.00 0.00 C ATOM 904 O LEU A 55 -1.480 14.100 2.710 1.00 0.00 O ATOM 905 CB LEU A 55 1.171 12.400 1.791 1.00 0.00 C ATOM 906 CG LEU A 55 1.733 11.005 1.488 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.519 10.488 2.676 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.623 10.025 1.133 1.00 0.00 C ATOM 0 H LEU A 55 0.742 12.690 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.910 11.905 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.859 13.145 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.147 12.537 2.872 1.00 0.00 H new ATOM 0 HG LEU A 55 2.396 11.092 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.913 9.497 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.345 11.167 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.865 10.428 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.055 9.046 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.072 9.944 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.090 10.382 0.252 1.00 0.00 H new ATOM 920 N GLY A 56 -0.317 15.092 1.056 1.00 0.00 N ATOM 921 CA GLY A 56 -0.731 16.431 1.437 1.00 0.00 C ATOM 922 C GLY A 56 0.205 17.491 0.892 1.00 0.00 C ATOM 923 O GLY A 56 0.208 17.769 -0.307 1.00 0.00 O ATOM 0 H GLY A 56 0.300 15.051 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.741 16.616 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.768 16.504 2.524 1.00 0.00 H new ATOM 927 N ARG A 57 1.006 18.080 1.775 1.00 0.00 N ATOM 928 CA ARG A 57 1.960 19.110 1.379 1.00 0.00 C ATOM 929 C ARG A 57 3.172 19.098 2.300 1.00 0.00 C ATOM 930 O ARG A 57 3.794 20.133 2.541 1.00 0.00 O ATOM 931 CB ARG A 57 1.301 20.491 1.396 1.00 0.00 C ATOM 932 CG ARG A 57 0.077 20.593 0.501 1.00 0.00 C ATOM 933 CD ARG A 57 -0.174 22.028 0.065 1.00 0.00 C ATOM 934 NE ARG A 57 -1.583 22.270 -0.235 1.00 0.00 N ATOM 935 CZ ARG A 57 -2.183 21.871 -1.355 1.00 0.00 C ATOM 936 NH1 ARG A 57 -1.502 21.205 -2.280 1.00 0.00 N ATOM 937 NH2 ARG A 57 -3.467 22.138 -1.550 1.00 0.00 N ATOM 0 H ARG A 57 1.013 17.861 2.771 1.00 0.00 H new ATOM 0 HA ARG A 57 2.290 18.894 0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.014 20.735 2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.032 21.237 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.214 19.963 -0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.796 20.214 1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.151 22.708 0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.428 22.250 -0.816 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.140 22.775 0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.514 20.997 -2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.967 20.902 -3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.995 22.649 -0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.927 21.833 -2.408 1.00 0.00 H new ATOM 951 N ASP A 58 3.499 17.918 2.807 1.00 0.00 N ATOM 952 CA ASP A 58 4.630 17.750 3.702 1.00 0.00 C ATOM 953 C ASP A 58 5.630 16.755 3.114 1.00 0.00 C ATOM 954 O ASP A 58 5.734 16.611 1.895 1.00 0.00 O ATOM 955 CB ASP A 58 4.138 17.278 5.074 1.00 0.00 C ATOM 956 CG ASP A 58 4.910 17.910 6.215 1.00 0.00 C ATOM 957 OD1 ASP A 58 6.065 17.498 6.451 1.00 0.00 O ATOM 958 OD2 ASP A 58 4.359 18.819 6.872 1.00 0.00 O ATOM 0 H ASP A 58 2.990 17.056 2.610 1.00 0.00 H new ATOM 0 HA ASP A 58 5.136 18.708 3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.080 17.517 5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.228 16.193 5.135 1.00 0.00 H new ATOM 963 N THR A 59 6.357 16.068 3.985 1.00 0.00 N ATOM 964 CA THR A 59 7.342 15.082 3.558 1.00 0.00 C ATOM 965 C THR A 59 7.008 13.707 4.124 1.00 0.00 C ATOM 966 O THR A 59 6.138 13.577 4.986 1.00 0.00 O ATOM 967 CB THR A 59 8.743 15.504 4.002 1.00 0.00 C ATOM 968 OG1 THR A 59 9.717 14.595 3.524 1.00 0.00 O ATOM 969 CG2 THR A 59 8.892 15.588 5.506 1.00 0.00 C ATOM 0 H THR A 59 6.283 16.176 4.997 1.00 0.00 H new ATOM 0 HA THR A 59 7.318 15.025 2.470 1.00 0.00 H new ATOM 0 HB THR A 59 8.892 16.498 3.581 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.606 14.884 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.909 15.892 5.754 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.187 16.320 5.901 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.687 14.612 5.947 1.00 0.00 H new ATOM 977 N GLN A 60 7.710 12.684 3.648 1.00 0.00 N ATOM 978 CA GLN A 60 7.488 11.326 4.119 1.00 0.00 C ATOM 979 C GLN A 60 8.292 11.074 5.385 1.00 0.00 C ATOM 980 O GLN A 60 9.487 10.782 5.335 1.00 0.00 O ATOM 981 CB GLN A 60 7.876 10.313 3.045 1.00 0.00 C ATOM 982 CG GLN A 60 9.234 10.578 2.414 1.00 0.00 C ATOM 983 CD GLN A 60 9.963 9.302 2.043 1.00 0.00 C ATOM 984 OE1 GLN A 60 10.835 8.837 2.777 1.00 0.00 O ATOM 985 NE2 GLN A 60 9.609 8.728 0.900 1.00 0.00 N ATOM 0 H GLN A 60 8.436 12.772 2.937 1.00 0.00 H new ATOM 0 HA GLN A 60 6.427 11.208 4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.878 9.315 3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.116 10.316 2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.103 11.190 1.521 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.847 11.154 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.881 9.148 0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.065 7.867 0.599 1.00 0.00 H new ATOM 994 N ILE A 61 7.620 11.193 6.515 1.00 0.00 N ATOM 995 CA ILE A 61 8.249 10.989 7.816 1.00 0.00 C ATOM 996 C ILE A 61 8.379 9.508 8.145 1.00 0.00 C ATOM 997 O ILE A 61 7.535 8.939 8.838 1.00 0.00 O ATOM 998 CB ILE A 61 7.457 11.684 8.939 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.978 11.302 8.863 1.00 0.00 C ATOM 1000 CG2 ILE A 61 7.626 13.193 8.851 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.333 11.113 10.219 1.00 0.00 C ATOM 0 H ILE A 61 6.630 11.432 6.562 1.00 0.00 H new ATOM 0 HA ILE A 61 9.244 11.430 7.754 1.00 0.00 H new ATOM 0 HB ILE A 61 7.849 11.350 9.900 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.438 12.076 8.318 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.878 10.380 8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.060 13.670 9.651 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.681 13.447 8.951 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.258 13.545 7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.285 10.844 10.089 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.848 10.318 10.759 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.401 12.041 10.787 1.00 0.00 H new ATOM 1013 N GLY A 62 9.444 8.891 7.648 1.00 0.00 N ATOM 1014 CA GLY A 62 9.671 7.482 7.905 1.00 0.00 C ATOM 1015 C GLY A 62 8.552 6.604 7.381 1.00 0.00 C ATOM 1016 O GLY A 62 8.351 5.490 7.867 1.00 0.00 O ATOM 0 H GLY A 62 10.155 9.341 7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.611 7.180 7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.778 7.325 8.978 1.00 0.00 H new ATOM 1020 N LEU A 63 7.821 7.101 6.385 1.00 0.00 N ATOM 1021 CA LEU A 63 6.720 6.342 5.797 1.00 0.00 C ATOM 1022 C LEU A 63 7.178 4.936 5.421 1.00 0.00 C ATOM 1023 O LEU A 63 8.114 4.765 4.640 1.00 0.00 O ATOM 1024 CB LEU A 63 6.170 7.068 4.565 1.00 0.00 C ATOM 1025 CG LEU A 63 4.696 7.470 4.656 1.00 0.00 C ATOM 1026 CD1 LEU A 63 3.811 6.238 4.742 1.00 0.00 C ATOM 1027 CD2 LEU A 63 4.466 8.381 5.854 1.00 0.00 C ATOM 0 H LEU A 63 7.970 8.021 5.970 1.00 0.00 H new ATOM 0 HA LEU A 63 5.925 6.260 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.766 7.965 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.303 6.426 3.694 1.00 0.00 H new ATOM 0 HG LEU A 63 4.431 8.018 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.767 6.544 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.955 5.624 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.075 5.661 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.413 8.657 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.748 7.858 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.073 9.280 5.749 1.00 0.00 H new ATOM 1039 N THR A 64 6.522 3.933 5.993 1.00 0.00 N ATOM 1040 CA THR A 64 6.874 2.546 5.727 1.00 0.00 C ATOM 1041 C THR A 64 5.936 1.917 4.705 1.00 0.00 C ATOM 1042 O THR A 64 4.836 2.413 4.460 1.00 0.00 O ATOM 1043 CB THR A 64 6.849 1.734 7.023 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.524 1.591 7.499 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.672 2.353 8.133 1.00 0.00 C ATOM 0 H THR A 64 5.745 4.055 6.643 1.00 0.00 H new ATOM 0 HA THR A 64 7.882 2.535 5.313 1.00 0.00 H new ATOM 0 HB THR A 64 7.283 0.767 6.767 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.529 1.067 8.327 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.611 1.727 9.023 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.712 2.431 7.815 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.287 3.347 8.361 1.00 0.00 H new ATOM 1053 N MET A 65 6.383 0.815 4.114 1.00 0.00 N ATOM 1054 CA MET A 65 5.598 0.101 3.119 1.00 0.00 C ATOM 1055 C MET A 65 5.128 -1.240 3.672 1.00 0.00 C ATOM 1056 O MET A 65 5.753 -1.802 4.571 1.00 0.00 O ATOM 1057 CB MET A 65 6.426 -0.116 1.851 1.00 0.00 C ATOM 1058 CG MET A 65 7.118 1.144 1.355 1.00 0.00 C ATOM 1059 SD MET A 65 8.867 1.192 1.791 1.00 0.00 S ATOM 1060 CE MET A 65 9.336 2.792 1.139 1.00 0.00 C ATOM 0 H MET A 65 7.292 0.396 4.310 1.00 0.00 H new ATOM 0 HA MET A 65 4.723 0.702 2.872 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.177 -0.882 2.044 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.776 -0.498 1.063 1.00 0.00 H new ATOM 0 HG2 MET A 65 7.016 1.208 0.272 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.619 2.017 1.774 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.413 2.815 0.971 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.818 2.967 0.196 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.063 3.570 1.852 1.00 0.00 H new ATOM 1070 N PRO A 66 4.013 -1.773 3.146 1.00 0.00 N ATOM 1071 CA PRO A 66 3.234 -1.147 2.078 1.00 0.00 C ATOM 1072 C PRO A 66 2.280 -0.072 2.593 1.00 0.00 C ATOM 1073 O PRO A 66 1.711 -0.201 3.678 1.00 0.00 O ATOM 1074 CB PRO A 66 2.436 -2.319 1.480 1.00 0.00 C ATOM 1075 CG PRO A 66 2.859 -3.535 2.241 1.00 0.00 C ATOM 1076 CD PRO A 66 3.416 -3.045 3.544 1.00 0.00 C ATOM 0 HA PRO A 66 3.878 -0.635 1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.363 -2.151 1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.646 -2.432 0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.014 -4.203 2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.608 -4.100 1.686 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.640 -2.916 4.299 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.153 -3.732 3.959 1.00 0.00 H new ATOM 1084 N GLN A 67 2.093 0.974 1.796 1.00 0.00 N ATOM 1085 CA GLN A 67 1.190 2.059 2.152 1.00 0.00 C ATOM 1086 C GLN A 67 -0.067 1.969 1.301 1.00 0.00 C ATOM 1087 O GLN A 67 -0.010 2.095 0.080 1.00 0.00 O ATOM 1088 CB GLN A 67 1.863 3.423 1.961 1.00 0.00 C ATOM 1089 CG GLN A 67 3.365 3.411 2.207 1.00 0.00 C ATOM 1090 CD GLN A 67 4.165 3.677 0.946 1.00 0.00 C ATOM 1091 OE1 GLN A 67 4.758 2.765 0.369 1.00 0.00 O ATOM 1092 NE2 GLN A 67 4.185 4.932 0.512 1.00 0.00 N ATOM 0 H GLN A 67 2.557 1.092 0.896 1.00 0.00 H new ATOM 0 HA GLN A 67 0.926 1.962 3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.674 3.771 0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.400 4.143 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.613 4.164 2.956 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.654 2.444 2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.679 5.656 1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.706 5.172 -0.331 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.198 1.715 1.943 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.453 1.577 1.223 1.00 0.00 C ATOM 1103 C VAL A 68 -3.144 2.920 1.020 1.00 0.00 C ATOM 1104 O VAL A 68 -2.811 3.914 1.667 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.416 0.611 1.945 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.472 0.088 0.982 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.651 -0.542 2.582 1.00 0.00 C ATOM 0 H VAL A 68 -1.272 1.601 2.954 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.201 1.165 0.246 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.919 1.163 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.141 -0.591 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.045 0.924 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.987 -0.444 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.351 -1.209 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.115 -1.094 1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.939 -0.149 3.308 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.115 2.932 0.113 1.00 0.00 N ATOM 1118 CA PHE A 69 -4.864 4.139 -0.198 1.00 0.00 C ATOM 1119 C PHE A 69 -6.329 3.807 -0.448 1.00 0.00 C ATOM 1120 O PHE A 69 -6.652 2.894 -1.210 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.273 4.820 -1.428 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.204 5.817 -1.102 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -1.877 5.429 -1.029 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -3.529 7.142 -0.875 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -0.889 6.351 -0.731 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -2.548 8.068 -0.580 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.226 7.672 -0.508 1.00 0.00 C ATOM 0 H PHE A 69 -4.401 2.112 -0.422 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.797 4.816 0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.860 4.060 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.072 5.321 -1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.611 4.398 -1.206 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.561 7.456 -0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.143 6.039 -0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.814 9.100 -0.406 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.457 8.395 -0.278 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.211 4.545 0.215 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.647 4.332 0.090 1.00 0.00 C ATOM 1139 C ALA A 70 -9.077 4.184 -1.368 1.00 0.00 C ATOM 1140 O ALA A 70 -8.538 4.845 -2.256 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.405 5.473 0.751 1.00 0.00 C ATOM 0 H ALA A 70 -6.954 5.302 0.849 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.887 3.398 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.477 5.303 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.142 5.521 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.140 6.414 0.268 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.073 3.318 -1.627 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.588 3.102 -2.975 1.00 0.00 C ATOM 1149 C PRO A 71 -11.316 4.332 -3.506 1.00 0.00 C ATOM 1150 O PRO A 71 -11.591 4.438 -4.701 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.548 1.918 -2.828 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.884 1.832 -1.381 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.777 2.511 -0.618 1.00 0.00 C ATOM 0 HA PRO A 71 -9.788 2.909 -3.690 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.446 2.068 -3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.084 0.995 -3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.840 2.315 -1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.981 0.791 -1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.173 3.135 0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.110 1.784 -0.156 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.615 5.266 -2.606 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.297 6.499 -2.974 1.00 0.00 C ATOM 1163 C ASP A 72 -11.296 7.644 -3.117 1.00 0.00 C ATOM 1164 O ASP A 72 -11.552 8.622 -3.818 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.351 6.855 -1.924 1.00 0.00 C ATOM 1166 CG ASP A 72 -12.749 7.051 -0.546 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -12.247 6.062 0.028 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -12.782 8.193 -0.041 1.00 0.00 O ATOM 0 H ASP A 72 -11.394 5.189 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.790 6.345 -3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.867 7.767 -2.225 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.100 6.064 -1.882 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.151 7.512 -2.446 1.00 0.00 N ATOM 1174 CA GLY A 73 -9.132 8.540 -2.514 1.00 0.00 C ATOM 1175 C GLY A 73 -8.720 9.053 -1.147 1.00 0.00 C ATOM 1176 O GLY A 73 -9.240 10.066 -0.677 1.00 0.00 O ATOM 0 H GLY A 73 -9.915 6.712 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.256 8.143 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.502 9.372 -3.113 1.00 0.00 H new ATOM 1180 N SER A 74 -7.783 8.357 -0.506 1.00 0.00 N ATOM 1181 CA SER A 74 -7.302 8.755 0.815 1.00 0.00 C ATOM 1182 C SER A 74 -6.199 7.818 1.305 1.00 0.00 C ATOM 1183 O SER A 74 -6.035 6.715 0.790 1.00 0.00 O ATOM 1184 CB SER A 74 -8.456 8.769 1.820 1.00 0.00 C ATOM 1185 OG SER A 74 -9.135 10.012 1.802 1.00 0.00 O ATOM 0 H SER A 74 -7.343 7.516 -0.879 1.00 0.00 H new ATOM 0 HA SER A 74 -6.888 9.760 0.731 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.155 7.966 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.072 8.576 2.822 1.00 0.00 H new ATOM 0 HG SER A 74 -9.096 10.393 0.900 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.447 8.269 2.306 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.363 7.471 2.871 1.00 0.00 C ATOM 1193 C HIS A 75 -4.867 6.612 4.026 1.00 0.00 C ATOM 1194 O HIS A 75 -5.214 7.126 5.089 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.231 8.379 3.355 1.00 0.00 C ATOM 1196 CG HIS A 75 -1.949 7.652 3.619 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.057 8.001 4.608 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.413 6.570 2.996 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.029 7.142 4.558 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.196 6.254 3.596 1.00 0.00 N ATOM 0 H HIS A 75 -5.569 9.183 2.742 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.984 6.814 2.089 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.053 9.153 2.608 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.547 8.884 4.268 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.160 8.776 5.263 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.859 6.040 2.168 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.825 7.173 5.219 1.00 0.00 H new ATOM 1208 N ILE A 76 -4.904 5.301 3.812 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.365 4.376 4.841 1.00 0.00 C ATOM 1210 C ILE A 76 -4.235 4.011 5.792 1.00 0.00 C ATOM 1211 O ILE A 76 -4.380 4.102 7.011 1.00 0.00 O ATOM 1212 CB ILE A 76 -5.928 3.081 4.226 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -6.955 3.402 3.143 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.544 2.204 5.305 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.289 2.215 2.268 1.00 0.00 C ATOM 0 H ILE A 76 -4.621 4.856 2.939 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.157 4.886 5.389 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.106 2.533 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.868 3.766 3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.574 4.210 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.937 1.293 4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.783 1.945 6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.354 2.745 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.024 2.510 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.385 1.864 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.699 1.414 2.883 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.111 3.588 5.225 1.00 0.00 N ATOM 1228 CA GLY A 77 -1.970 3.209 6.036 1.00 0.00 C ATOM 1229 C GLY A 77 -1.436 1.838 5.679 1.00 0.00 C ATOM 1230 O GLY A 77 -1.588 1.378 4.548 1.00 0.00 O ATOM 0 H GLY A 77 -2.970 3.501 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.178 3.948 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.255 3.222 7.088 1.00 0.00 H new ATOM 1234 N GLY A 78 -0.805 1.189 6.649 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.247 -0.134 6.422 1.00 0.00 C ATOM 1236 C GLY A 78 -1.262 -1.239 6.642 1.00 0.00 C ATOM 1237 O GLY A 78 -2.463 -1.030 6.471 1.00 0.00 O ATOM 0 H GLY A 78 -0.668 1.554 7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.135 -0.194 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.601 -0.286 7.089 1.00 0.00 H new ATOM 1241 N PHE A 79 -0.781 -2.418 7.023 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.658 -3.557 7.265 1.00 0.00 C ATOM 1243 C PHE A 79 -2.597 -3.278 8.434 1.00 0.00 C ATOM 1244 O PHE A 79 -3.816 -3.227 8.266 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.834 -4.817 7.544 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.670 -6.040 7.804 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.779 -6.317 7.020 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.349 -6.908 8.837 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.550 -7.439 7.260 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.117 -8.030 9.080 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.219 -8.296 8.291 1.00 0.00 C ATOM 0 H PHE A 79 0.210 -2.609 7.171 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.258 -3.719 6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.180 -5.009 6.693 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.191 -4.637 8.406 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.043 -5.649 6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.489 -6.704 9.458 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.411 -7.645 6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.856 -8.699 9.887 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.821 -9.173 8.480 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.023 -3.093 9.621 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.811 -2.816 10.818 1.00 0.00 C ATOM 1263 C ASP A 80 -3.739 -1.626 10.595 1.00 0.00 C ATOM 1264 O ASP A 80 -4.900 -1.645 11.003 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.891 -2.542 12.009 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.627 -2.603 13.333 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -2.840 -3.724 13.842 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.991 -1.531 13.861 1.00 0.00 O ATOM 0 H ASP A 80 -1.016 -3.130 9.779 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.420 -3.695 11.032 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.080 -3.270 12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.436 -1.558 11.894 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.218 -0.593 9.939 1.00 0.00 N ATOM 1274 CA GLN A 81 -4.000 0.605 9.656 1.00 0.00 C ATOM 1275 C GLN A 81 -5.269 0.245 8.893 1.00 0.00 C ATOM 1276 O GLN A 81 -6.349 0.764 9.177 1.00 0.00 O ATOM 1277 CB GLN A 81 -3.172 1.601 8.844 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.145 2.356 9.670 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.079 1.448 10.252 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.306 0.830 9.521 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -1.033 1.364 11.577 1.00 0.00 N ATOM 0 H GLN A 81 -2.259 -0.562 9.594 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.277 1.065 10.605 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.660 1.067 8.043 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.843 2.318 8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.670 3.114 9.047 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.651 2.881 10.480 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.694 1.894 12.145 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.337 0.769 12.026 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.128 -0.653 7.925 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.259 -1.093 7.123 1.00 0.00 C ATOM 1292 C LEU A 82 -7.301 -1.803 7.974 1.00 0.00 C ATOM 1293 O LEU A 82 -8.488 -1.493 7.895 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.800 -1.990 5.994 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.811 -2.087 4.863 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.328 -1.351 3.629 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.102 -3.530 4.562 1.00 0.00 C ATOM 0 H LEU A 82 -4.240 -1.090 7.678 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.724 -0.205 6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.856 -1.613 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.606 -2.988 6.387 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.736 -1.606 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.073 -1.439 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.176 -0.299 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.387 -1.785 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.827 -3.593 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.181 -4.033 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.509 -4.012 5.451 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.859 -2.744 8.805 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.780 -3.468 9.679 1.00 0.00 C ATOM 1311 C ARG A 83 -8.646 -2.476 10.448 1.00 0.00 C ATOM 1312 O ARG A 83 -9.790 -2.768 10.791 1.00 0.00 O ATOM 1313 CB ARG A 83 -7.009 -4.362 10.651 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.723 -5.662 10.977 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.756 -6.712 11.499 1.00 0.00 C ATOM 1316 NE ARG A 83 -6.506 -6.563 12.931 1.00 0.00 N ATOM 1317 CZ ARG A 83 -5.722 -7.377 13.634 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.111 -8.396 13.044 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -5.549 -7.170 14.933 1.00 0.00 N ATOM 0 H ARG A 83 -5.881 -3.021 8.892 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.420 -4.103 9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.032 -4.591 10.225 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.833 -3.812 11.575 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.497 -5.476 11.722 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.223 -6.038 10.084 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.159 -7.705 11.303 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.813 -6.638 10.957 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.958 -5.791 13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.241 -8.560 12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.512 -9.016 13.589 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.017 -6.388 15.392 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.949 -7.793 15.473 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.091 -1.291 10.693 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.819 -0.244 11.392 1.00 0.00 C ATOM 1335 C GLU A 84 -9.824 0.390 10.441 1.00 0.00 C ATOM 1336 O GLU A 84 -10.923 0.775 10.841 1.00 0.00 O ATOM 1337 CB GLU A 84 -7.860 0.817 11.936 1.00 0.00 C ATOM 1338 CG GLU A 84 -6.809 0.261 12.883 1.00 0.00 C ATOM 1339 CD GLU A 84 -7.414 -0.333 14.141 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -7.797 -1.521 14.113 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -7.504 0.392 15.155 1.00 0.00 O ATOM 0 H GLU A 84 -7.143 -1.036 10.417 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.346 -0.684 12.238 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.361 1.306 11.100 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.436 1.583 12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.229 -0.504 12.367 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.116 1.056 13.158 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.444 0.467 9.168 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.313 1.018 8.144 1.00 0.00 C ATOM 1350 C TYR A 85 -11.514 0.098 7.953 1.00 0.00 C ATOM 1351 O TYR A 85 -12.621 0.548 7.660 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.540 1.160 6.830 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.260 1.954 5.767 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.410 1.463 5.163 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -9.781 3.191 5.357 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.063 2.183 4.182 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.429 3.918 4.378 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.568 3.409 3.792 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.217 4.130 2.816 1.00 0.00 O ATOM 0 H TYR A 85 -8.536 0.152 8.825 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.663 2.003 8.452 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.582 1.637 7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.324 0.165 6.440 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.800 0.502 5.465 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.887 3.591 5.811 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.957 1.788 3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.045 4.880 4.073 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.740 4.971 2.659 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.275 -1.199 8.142 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.315 -2.216 8.006 1.00 0.00 C ATOM 1371 C PHE A 86 -13.014 -2.467 9.338 1.00 0.00 C ATOM 1372 O PHE A 86 -14.180 -2.115 9.515 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.695 -3.517 7.482 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.488 -3.523 5.993 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.459 -3.023 5.137 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.313 -4.010 5.448 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.257 -3.007 3.772 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -10.109 -4.001 4.082 1.00 0.00 C ATOM 1379 CZ PHE A 86 -11.081 -3.498 3.244 1.00 0.00 C ATOM 0 H PHE A 86 -10.359 -1.572 8.392 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.061 -1.857 7.297 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.736 -3.678 7.975 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.339 -4.353 7.755 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.384 -2.642 5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.546 -4.402 6.099 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.019 -2.610 3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.188 -4.388 3.671 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.922 -3.488 2.176 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.293 -3.080 10.273 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.840 -3.382 11.594 1.00 0.00 C ATOM 1391 C LYS A 87 -11.948 -2.816 12.694 1.00 0.00 C ATOM 1392 O LYS A 87 -12.175 -1.658 13.102 1.00 0.00 O ATOM 1393 CB LYS A 87 -12.990 -4.894 11.771 1.00 0.00 C ATOM 1394 CG LYS A 87 -11.773 -5.682 11.316 1.00 0.00 C ATOM 1395 CD LYS A 87 -11.659 -7.007 12.052 1.00 0.00 C ATOM 1396 CE LYS A 87 -10.771 -6.888 13.281 1.00 0.00 C ATOM 1397 NZ LYS A 87 -10.453 -8.219 13.868 1.00 0.00 N ATOM 1398 OXT LYS A 87 -11.031 -3.537 13.139 1.00 0.00 O ATOM 0 H LYS A 87 -11.327 -3.378 10.141 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.821 -2.914 11.670 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.182 -5.111 12.822 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.862 -5.232 11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.837 -5.865 10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.872 -5.092 11.485 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.651 -7.345 12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.253 -7.764 11.380 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.845 -6.379 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.268 -6.271 14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.846 -8.094 14.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.334 -8.694 14.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.956 -8.800 13.163 1.00 0.00 H new TER 1412 LYS A 87