USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0471 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0334 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -92:sc= 0.095 USER MOD Single : A 6 SER OG : rot -147:sc= 1.28 USER MOD Single : A 9 TYR OH : rot -136:sc= 0.894 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 1.3 (180deg=1.23) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-0.38) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= -0.0626 (180deg=-0.413) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 THR OG1 : rot 27:sc= 0.751 USER MOD Single : A 52 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -163:sc=0.000171 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 31:sc= 0.0449 USER MOD Single : A 76 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.8!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.501 K(o=0.5,f=-0.0092) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.431 7.394 -19.569 1.00 0.00 N ATOM 2 CA GLY A 1 -10.658 6.495 -18.433 1.00 0.00 C ATOM 3 C GLY A 1 -9.853 6.940 -17.227 1.00 0.00 C ATOM 4 O GLY A 1 -9.653 8.139 -17.027 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.300 7.463 -20.136 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.170 8.338 -19.218 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.661 7.020 -20.160 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.719 6.479 -18.182 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.379 5.477 -18.707 1.00 0.00 H new ATOM 8 N SER A 2 -9.383 5.985 -16.415 1.00 0.00 N ATOM 9 CA SER A 2 -9.049 6.205 -15.011 1.00 0.00 C ATOM 10 C SER A 2 -10.320 6.583 -14.235 1.00 0.00 C ATOM 11 O SER A 2 -11.432 6.484 -14.769 1.00 0.00 O ATOM 12 CB SER A 2 -7.858 7.170 -14.859 1.00 0.00 C ATOM 13 OG SER A 2 -7.243 7.033 -13.589 1.00 0.00 O ATOM 0 H SER A 2 -9.223 5.026 -16.724 1.00 0.00 H new ATOM 0 HA SER A 2 -8.688 5.284 -14.554 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.126 6.974 -15.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.200 8.197 -14.991 1.00 0.00 H new ATOM 0 HG SER A 2 -6.490 7.656 -13.521 1.00 0.00 H new ATOM 19 N SER A 3 -10.165 6.907 -12.948 1.00 0.00 N ATOM 20 CA SER A 3 -11.212 6.766 -11.943 1.00 0.00 C ATOM 21 C SER A 3 -11.687 5.298 -11.885 1.00 0.00 C ATOM 22 O SER A 3 -11.109 4.416 -12.530 1.00 0.00 O ATOM 23 CB SER A 3 -12.340 7.782 -12.230 1.00 0.00 C ATOM 24 OG SER A 3 -12.890 8.308 -11.034 1.00 0.00 O ATOM 0 H SER A 3 -9.293 7.280 -12.573 1.00 0.00 H new ATOM 0 HA SER A 3 -10.832 6.999 -10.948 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.949 8.597 -12.840 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.126 7.299 -12.810 1.00 0.00 H new ATOM 0 HG SER A 3 -13.599 8.948 -11.254 1.00 0.00 H new ATOM 30 N GLY A 4 -12.729 5.015 -11.102 1.00 0.00 N ATOM 31 CA GLY A 4 -13.292 3.673 -11.003 1.00 0.00 C ATOM 32 C GLY A 4 -12.342 2.688 -10.314 1.00 0.00 C ATOM 33 O GLY A 4 -11.347 3.086 -9.701 1.00 0.00 O ATOM 0 H GLY A 4 -13.203 5.708 -10.522 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.230 3.716 -10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.528 3.307 -12.002 1.00 0.00 H new ATOM 37 N SER A 5 -12.692 1.405 -10.335 1.00 0.00 N ATOM 38 CA SER A 5 -11.917 0.329 -9.727 1.00 0.00 C ATOM 39 C SER A 5 -10.604 0.077 -10.499 1.00 0.00 C ATOM 40 O SER A 5 -10.498 0.411 -11.689 1.00 0.00 O ATOM 41 CB SER A 5 -12.825 -0.913 -9.640 1.00 0.00 C ATOM 42 OG SER A 5 -13.682 -1.050 -10.767 1.00 0.00 O ATOM 0 H SER A 5 -13.545 1.077 -10.788 1.00 0.00 H new ATOM 0 HA SER A 5 -11.601 0.600 -8.720 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.205 -1.805 -9.550 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.429 -0.853 -8.735 1.00 0.00 H new ATOM 0 HG SER A 5 -14.537 -0.608 -10.583 1.00 0.00 H new ATOM 48 N SER A 6 -9.597 -0.522 -9.846 1.00 0.00 N ATOM 49 CA SER A 6 -8.339 -0.882 -10.504 1.00 0.00 C ATOM 50 C SER A 6 -8.542 -1.955 -11.580 1.00 0.00 C ATOM 51 O SER A 6 -7.829 -1.937 -12.591 1.00 0.00 O ATOM 52 CB SER A 6 -7.310 -1.395 -9.483 1.00 0.00 C ATOM 53 OG SER A 6 -6.845 -0.356 -8.645 1.00 0.00 O ATOM 0 H SER A 6 -9.634 -0.767 -8.857 1.00 0.00 H new ATOM 0 HA SER A 6 -7.968 0.026 -10.978 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.760 -2.180 -8.875 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.467 -1.843 -10.009 1.00 0.00 H new ATOM 0 HG SER A 6 -5.912 -0.527 -8.399 1.00 0.00 H new ATOM 59 N GLY A 7 -9.470 -2.893 -11.377 1.00 0.00 N ATOM 60 CA GLY A 7 -9.424 -4.175 -12.019 1.00 0.00 C ATOM 61 C GLY A 7 -8.443 -5.048 -11.249 1.00 0.00 C ATOM 62 O GLY A 7 -7.897 -4.685 -10.204 1.00 0.00 O ATOM 0 H GLY A 7 -10.271 -2.768 -10.757 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.414 -4.632 -12.031 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.109 -4.071 -13.057 1.00 0.00 H new ATOM 66 N GLU A 8 -8.211 -6.216 -11.812 1.00 0.00 N ATOM 67 CA GLU A 8 -7.160 -7.142 -11.462 1.00 0.00 C ATOM 68 C GLU A 8 -5.823 -6.415 -11.503 1.00 0.00 C ATOM 69 O GLU A 8 -5.374 -5.934 -12.550 1.00 0.00 O ATOM 70 CB GLU A 8 -7.208 -8.379 -12.368 1.00 0.00 C ATOM 71 CG GLU A 8 -7.849 -9.570 -11.644 1.00 0.00 C ATOM 72 CD GLU A 8 -9.243 -9.282 -11.086 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.216 -9.295 -11.867 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.369 -9.099 -9.849 1.00 0.00 O ATOM 0 H GLU A 8 -8.791 -6.564 -12.576 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.301 -7.511 -10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.775 -8.151 -13.271 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.198 -8.642 -12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.912 -10.411 -12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.198 -9.878 -10.826 1.00 0.00 H new ATOM 81 N TYR A 9 -5.265 -6.282 -10.306 1.00 0.00 N ATOM 82 CA TYR A 9 -4.026 -5.579 -9.997 1.00 0.00 C ATOM 83 C TYR A 9 -2.873 -6.068 -10.888 1.00 0.00 C ATOM 84 O TYR A 9 -2.874 -7.204 -11.371 1.00 0.00 O ATOM 85 CB TYR A 9 -3.654 -5.778 -8.519 1.00 0.00 C ATOM 86 CG TYR A 9 -4.720 -5.504 -7.471 1.00 0.00 C ATOM 87 CD1 TYR A 9 -5.091 -4.182 -7.158 1.00 0.00 C ATOM 88 CD2 TYR A 9 -5.257 -6.571 -6.725 1.00 0.00 C ATOM 89 CE1 TYR A 9 -6.014 -3.934 -6.125 1.00 0.00 C ATOM 90 CE2 TYR A 9 -6.176 -6.334 -5.689 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.576 -5.012 -5.398 1.00 0.00 C ATOM 92 OH TYR A 9 -7.426 -4.758 -4.365 1.00 0.00 O ATOM 0 H TYR A 9 -5.692 -6.687 -9.473 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.188 -4.519 -10.191 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.321 -6.808 -8.395 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.799 -5.138 -8.301 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.667 -3.357 -7.711 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.959 -7.584 -6.952 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.295 -2.919 -5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.575 -7.160 -5.118 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.199 -5.334 -3.605 1.00 0.00 H new ATOM 102 N LYS A 10 -1.866 -5.220 -11.105 1.00 0.00 N ATOM 103 CA LYS A 10 -0.763 -5.460 -12.035 1.00 0.00 C ATOM 104 C LYS A 10 0.406 -4.552 -11.671 1.00 0.00 C ATOM 105 O LYS A 10 0.181 -3.565 -10.963 1.00 0.00 O ATOM 106 CB LYS A 10 -1.257 -5.168 -13.462 1.00 0.00 C ATOM 107 CG LYS A 10 -1.628 -3.688 -13.696 1.00 0.00 C ATOM 108 CD LYS A 10 -2.658 -3.539 -14.816 1.00 0.00 C ATOM 109 CE LYS A 10 -3.084 -2.075 -14.922 1.00 0.00 C ATOM 110 NZ LYS A 10 -4.417 -1.931 -15.529 1.00 0.00 N ATOM 0 H LYS A 10 -1.794 -4.323 -10.625 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.427 -6.495 -11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.482 -5.456 -14.172 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.128 -5.790 -13.671 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.026 -3.262 -12.775 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.731 -3.122 -13.948 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.234 -3.875 -15.762 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.525 -4.168 -14.614 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.087 -1.626 -13.929 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.354 -1.527 -15.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.667 -0.923 -15.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.408 -2.336 -16.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.119 -2.432 -14.948 1.00 0.00 H new ATOM 124 N ALA A 11 1.610 -4.863 -12.166 1.00 0.00 N ATOM 125 CA ALA A 11 2.813 -4.070 -11.941 1.00 0.00 C ATOM 126 C ALA A 11 2.539 -2.625 -12.331 1.00 0.00 C ATOM 127 O ALA A 11 2.309 -2.348 -13.513 1.00 0.00 O ATOM 128 CB ALA A 11 4.006 -4.621 -12.730 1.00 0.00 C ATOM 0 H ALA A 11 1.773 -5.688 -12.743 1.00 0.00 H new ATOM 0 HA ALA A 11 3.072 -4.123 -10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.885 -4.005 -12.538 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.206 -5.646 -12.418 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.777 -4.604 -13.795 1.00 0.00 H new ATOM 134 N GLY A 12 2.531 -1.739 -11.341 1.00 0.00 N ATOM 135 CA GLY A 12 2.179 -0.342 -11.500 1.00 0.00 C ATOM 136 C GLY A 12 1.196 0.100 -10.422 1.00 0.00 C ATOM 137 O GLY A 12 1.292 1.252 -9.991 1.00 0.00 O ATOM 0 H GLY A 12 2.777 -1.984 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.079 0.271 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.739 -0.184 -12.485 1.00 0.00 H new ATOM 141 N ASP A 13 0.281 -0.766 -9.957 1.00 0.00 N ATOM 142 CA ASP A 13 -0.589 -0.368 -8.850 1.00 0.00 C ATOM 143 C ASP A 13 0.236 -0.330 -7.574 1.00 0.00 C ATOM 144 O ASP A 13 1.014 -1.245 -7.274 1.00 0.00 O ATOM 145 CB ASP A 13 -1.838 -1.247 -8.622 1.00 0.00 C ATOM 146 CG ASP A 13 -3.117 -0.397 -8.393 1.00 0.00 C ATOM 147 OD1 ASP A 13 -3.043 0.833 -8.131 1.00 0.00 O ATOM 148 OD2 ASP A 13 -4.236 -0.945 -8.487 1.00 0.00 O ATOM 0 H ASP A 13 0.130 -1.709 -10.316 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.983 0.610 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.985 -1.897 -9.484 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.673 -1.893 -7.760 1.00 0.00 H new ATOM 153 N LEU A 14 0.051 0.736 -6.809 1.00 0.00 N ATOM 154 CA LEU A 14 0.440 0.787 -5.415 1.00 0.00 C ATOM 155 C LEU A 14 -0.735 0.222 -4.634 1.00 0.00 C ATOM 156 O LEU A 14 -1.888 0.393 -5.050 1.00 0.00 O ATOM 157 CB LEU A 14 0.733 2.238 -5.023 1.00 0.00 C ATOM 158 CG LEU A 14 1.796 2.907 -5.914 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.995 4.347 -5.450 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.135 2.158 -5.892 1.00 0.00 C ATOM 0 H LEU A 14 -0.379 1.597 -7.146 1.00 0.00 H new ATOM 0 HA LEU A 14 1.344 0.213 -5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.190 2.815 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.068 2.266 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 14 1.437 2.883 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.746 4.830 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.053 4.889 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.328 4.352 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.849 2.671 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.520 2.131 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.988 1.140 -6.252 1.00 0.00 H new ATOM 172 N VAL A 15 -0.474 -0.441 -3.508 1.00 0.00 N ATOM 173 CA VAL A 15 -1.503 -1.127 -2.732 1.00 0.00 C ATOM 174 C VAL A 15 -1.136 -1.079 -1.239 1.00 0.00 C ATOM 175 O VAL A 15 0.005 -0.783 -0.885 1.00 0.00 O ATOM 176 CB VAL A 15 -1.674 -2.567 -3.281 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.053 -2.591 -4.775 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.431 -3.452 -3.102 1.00 0.00 C ATOM 0 H VAL A 15 0.461 -0.517 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.469 -0.631 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.487 -2.974 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.160 -3.624 -5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.996 -2.064 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.271 -2.102 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.628 -4.443 -3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.413 -3.005 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.195 -3.537 -2.041 1.00 0.00 H new ATOM 188 N PHE A 16 -2.061 -1.429 -0.348 1.00 0.00 N ATOM 189 CA PHE A 16 -1.739 -1.905 0.986 1.00 0.00 C ATOM 190 C PHE A 16 -2.048 -3.398 1.029 1.00 0.00 C ATOM 191 O PHE A 16 -2.991 -3.865 0.378 1.00 0.00 O ATOM 192 CB PHE A 16 -2.525 -1.167 2.074 1.00 0.00 C ATOM 193 CG PHE A 16 -2.312 0.332 2.144 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.149 0.853 2.731 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.282 1.219 1.648 1.00 0.00 C ATOM 196 CE1 PHE A 16 -0.935 2.240 2.768 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.062 2.601 1.669 1.00 0.00 C ATOM 198 CZ PHE A 16 -1.890 3.121 2.238 1.00 0.00 C ATOM 0 H PHE A 16 -3.062 -1.388 -0.538 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.685 -1.715 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.587 -1.357 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.262 -1.597 3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.415 0.184 3.156 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.206 0.831 1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.029 2.632 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.797 3.269 1.246 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.724 4.188 2.268 1.00 0.00 H new ATOM 208 N ALA A 17 -1.276 -4.128 1.832 1.00 0.00 N ATOM 209 CA ALA A 17 -1.318 -5.568 1.985 1.00 0.00 C ATOM 210 C ALA A 17 -1.464 -5.889 3.471 1.00 0.00 C ATOM 211 O ALA A 17 -0.688 -5.370 4.278 1.00 0.00 O ATOM 212 CB ALA A 17 -0.030 -6.161 1.404 1.00 0.00 C ATOM 0 H ALA A 17 -0.566 -3.698 2.425 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.164 -6.002 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.048 -7.245 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.045 -5.903 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.830 -5.757 1.938 1.00 0.00 H new ATOM 218 N LYS A 18 -2.443 -6.708 3.873 1.00 0.00 N ATOM 219 CA LYS A 18 -2.566 -7.100 5.282 1.00 0.00 C ATOM 220 C LYS A 18 -1.877 -8.451 5.455 1.00 0.00 C ATOM 221 O LYS A 18 -2.460 -9.492 5.123 1.00 0.00 O ATOM 222 CB LYS A 18 -4.058 -7.149 5.665 1.00 0.00 C ATOM 223 CG LYS A 18 -4.369 -7.262 7.171 1.00 0.00 C ATOM 224 CD LYS A 18 -3.887 -6.054 7.984 1.00 0.00 C ATOM 225 CE LYS A 18 -4.675 -5.792 9.280 1.00 0.00 C ATOM 226 NZ LYS A 18 -4.447 -6.797 10.340 1.00 0.00 N ATOM 0 H LYS A 18 -3.150 -7.106 3.255 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.086 -6.380 5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.540 -6.250 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.515 -7.997 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.445 -7.375 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.902 -8.165 7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.837 -6.200 8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.943 -5.165 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.405 -4.808 9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.739 -5.762 9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.971 -6.524 11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.778 -7.727 10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.431 -6.848 10.558 1.00 0.00 H new ATOM 240 N MET A 19 -0.687 -8.446 6.057 1.00 0.00 N ATOM 241 CA MET A 19 -0.106 -9.658 6.626 1.00 0.00 C ATOM 242 C MET A 19 -0.820 -9.949 7.942 1.00 0.00 C ATOM 243 O MET A 19 -1.418 -9.057 8.552 1.00 0.00 O ATOM 244 CB MET A 19 1.408 -9.508 6.857 1.00 0.00 C ATOM 245 CG MET A 19 2.207 -9.926 5.622 1.00 0.00 C ATOM 246 SD MET A 19 3.977 -10.198 5.916 1.00 0.00 S ATOM 247 CE MET A 19 4.521 -8.536 6.383 1.00 0.00 C ATOM 0 H MET A 19 -0.107 -7.613 6.162 1.00 0.00 H new ATOM 0 HA MET A 19 -0.238 -10.484 5.927 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.638 -8.472 7.107 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.709 -10.117 7.710 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.775 -10.842 5.220 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.094 -9.158 4.857 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.590 -8.549 6.593 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.320 -7.844 5.565 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.980 -8.213 7.272 1.00 0.00 H new ATOM 257 N LYS A 20 -0.740 -11.200 8.394 1.00 0.00 N ATOM 258 CA LYS A 20 -1.365 -11.604 9.641 1.00 0.00 C ATOM 259 C LYS A 20 -0.644 -10.910 10.793 1.00 0.00 C ATOM 260 O LYS A 20 0.579 -10.742 10.753 1.00 0.00 O ATOM 261 CB LYS A 20 -1.337 -13.139 9.755 1.00 0.00 C ATOM 262 CG LYS A 20 -2.617 -13.673 10.427 1.00 0.00 C ATOM 263 CD LYS A 20 -3.264 -14.830 9.655 1.00 0.00 C ATOM 264 CE LYS A 20 -3.698 -14.460 8.232 1.00 0.00 C ATOM 265 NZ LYS A 20 -4.453 -15.550 7.588 1.00 0.00 N ATOM 0 H LYS A 20 -0.246 -11.949 7.909 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.412 -11.304 9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.234 -13.578 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.465 -13.447 10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.378 -14.007 11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.337 -12.860 10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.559 -15.660 9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.133 -15.183 10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.313 -13.561 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.818 -14.225 7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.729 -15.261 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.858 -16.401 7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.306 -15.758 8.145 1.00 0.00 H new ATOM 279 N GLY A 21 -1.379 -10.497 11.822 1.00 0.00 N ATOM 280 CA GLY A 21 -0.879 -9.791 12.997 1.00 0.00 C ATOM 281 C GLY A 21 -0.490 -8.340 12.712 1.00 0.00 C ATOM 282 O GLY A 21 -0.774 -7.463 13.532 1.00 0.00 O ATOM 0 H GLY A 21 -2.386 -10.653 11.861 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.642 -9.809 13.775 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.012 -10.322 13.389 1.00 0.00 H new ATOM 286 N TYR A 22 0.158 -8.065 11.584 1.00 0.00 N ATOM 287 CA TYR A 22 0.558 -6.748 11.103 1.00 0.00 C ATOM 288 C TYR A 22 -0.642 -5.890 10.697 1.00 0.00 C ATOM 289 O TYR A 22 -1.742 -6.407 10.508 1.00 0.00 O ATOM 290 CB TYR A 22 1.531 -6.971 9.934 1.00 0.00 C ATOM 291 CG TYR A 22 2.898 -7.386 10.441 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.655 -6.475 11.204 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.384 -8.689 10.216 1.00 0.00 C ATOM 294 CE1 TYR A 22 4.880 -6.867 11.763 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.618 -9.084 10.766 1.00 0.00 C ATOM 296 CZ TYR A 22 5.364 -8.173 11.549 1.00 0.00 C ATOM 297 OH TYR A 22 6.540 -8.546 12.122 1.00 0.00 O ATOM 0 H TYR A 22 0.436 -8.806 10.940 1.00 0.00 H new ATOM 0 HA TYR A 22 1.046 -6.189 11.901 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.137 -7.739 9.269 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.618 -6.056 9.348 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.290 -5.470 11.359 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.810 -9.385 9.622 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.452 -6.169 12.357 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.994 -10.081 10.590 1.00 0.00 H new ATOM 0 HH TYR A 22 6.740 -9.475 11.883 1.00 0.00 H new ATOM 307 N PRO A 23 -0.448 -4.566 10.600 1.00 0.00 N ATOM 308 CA PRO A 23 -1.418 -3.638 10.037 1.00 0.00 C ATOM 309 C PRO A 23 -1.423 -3.755 8.503 1.00 0.00 C ATOM 310 O PRO A 23 -0.692 -4.565 7.931 1.00 0.00 O ATOM 311 CB PRO A 23 -0.959 -2.267 10.545 1.00 0.00 C ATOM 312 CG PRO A 23 0.558 -2.406 10.681 1.00 0.00 C ATOM 313 CD PRO A 23 0.781 -3.877 10.961 1.00 0.00 C ATOM 0 HA PRO A 23 -2.448 -3.832 10.335 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.225 -1.474 9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.423 -2.020 11.500 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.068 -2.094 9.770 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.942 -1.785 11.490 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.622 -4.257 10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.020 -4.038 12.012 1.00 0.00 H new ATOM 321 N HIS A 24 -2.262 -2.969 7.819 1.00 0.00 N ATOM 322 CA HIS A 24 -2.207 -2.846 6.364 1.00 0.00 C ATOM 323 C HIS A 24 -0.894 -2.148 5.996 1.00 0.00 C ATOM 324 O HIS A 24 -0.780 -0.928 6.128 1.00 0.00 O ATOM 325 CB HIS A 24 -3.430 -2.084 5.835 1.00 0.00 C ATOM 326 CG HIS A 24 -4.726 -2.831 5.985 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.662 -2.661 6.980 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.214 -3.760 5.106 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.693 -3.470 6.693 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.452 -4.194 5.587 1.00 0.00 N ATOM 0 H HIS A 24 -2.991 -2.406 8.257 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.233 -3.831 5.898 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.508 -1.132 6.361 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.274 -1.854 4.781 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.729 -4.097 4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.600 -3.531 7.276 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.051 -4.913 5.181 1.00 0.00 H new ATOM 338 N TRP A 25 0.117 -2.922 5.615 1.00 0.00 N ATOM 339 CA TRP A 25 1.445 -2.433 5.278 1.00 0.00 C ATOM 340 C TRP A 25 1.418 -1.925 3.831 1.00 0.00 C ATOM 341 O TRP A 25 0.775 -2.569 2.999 1.00 0.00 O ATOM 342 CB TRP A 25 2.451 -3.580 5.468 1.00 0.00 C ATOM 343 CG TRP A 25 3.818 -3.131 5.881 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.788 -2.670 5.061 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.367 -3.063 7.231 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.893 -2.309 5.804 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.677 -2.504 7.155 1.00 0.00 C ATOM 348 CE3 TRP A 25 3.871 -3.387 8.515 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.442 -2.266 8.307 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.630 -3.138 9.678 1.00 0.00 C ATOM 351 CH2 TRP A 25 5.911 -2.575 9.569 1.00 0.00 C ATOM 0 H TRP A 25 0.030 -3.935 5.530 1.00 0.00 H new ATOM 0 HA TRP A 25 1.748 -1.609 5.924 1.00 0.00 H new ATOM 0 HB2 TRP A 25 2.064 -4.268 6.219 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.530 -4.138 4.535 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.710 -2.595 3.986 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.759 -1.945 5.407 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.892 -3.834 8.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.434 -1.847 8.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.226 -3.380 10.650 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.490 -2.379 10.459 1.00 0.00 H new ATOM 362 N PRO A 26 2.059 -0.793 3.489 1.00 0.00 N ATOM 363 CA PRO A 26 2.146 -0.363 2.098 1.00 0.00 C ATOM 364 C PRO A 26 2.986 -1.346 1.295 1.00 0.00 C ATOM 365 O PRO A 26 4.005 -1.854 1.770 1.00 0.00 O ATOM 366 CB PRO A 26 2.761 1.031 2.112 1.00 0.00 C ATOM 367 CG PRO A 26 3.497 1.097 3.440 1.00 0.00 C ATOM 368 CD PRO A 26 2.711 0.166 4.365 1.00 0.00 C ATOM 0 HA PRO A 26 1.166 -0.335 1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.440 1.176 1.272 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.997 1.805 2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.532 0.771 3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.521 2.115 3.830 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.373 -0.335 5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.980 0.722 4.952 1.00 0.00 H new ATOM 376 N ALA A 27 2.554 -1.606 0.070 1.00 0.00 N ATOM 377 CA ALA A 27 3.172 -2.555 -0.820 1.00 0.00 C ATOM 378 C ALA A 27 3.014 -2.078 -2.264 1.00 0.00 C ATOM 379 O ALA A 27 2.262 -1.144 -2.557 1.00 0.00 O ATOM 380 CB ALA A 27 2.553 -3.939 -0.568 1.00 0.00 C ATOM 0 H ALA A 27 1.740 -1.145 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 27 4.243 -2.636 -0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.011 -4.669 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.728 -4.233 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.480 -3.898 -0.757 1.00 0.00 H new ATOM 386 N ARG A 28 3.731 -2.714 -3.183 1.00 0.00 N ATOM 387 CA ARG A 28 3.655 -2.433 -4.613 1.00 0.00 C ATOM 388 C ARG A 28 3.371 -3.762 -5.294 1.00 0.00 C ATOM 389 O ARG A 28 3.939 -4.775 -4.865 1.00 0.00 O ATOM 390 CB ARG A 28 4.954 -1.718 -5.059 1.00 0.00 C ATOM 391 CG ARG A 28 5.965 -2.519 -5.892 1.00 0.00 C ATOM 392 CD ARG A 28 7.258 -1.716 -6.098 1.00 0.00 C ATOM 393 NE ARG A 28 8.236 -2.474 -6.898 1.00 0.00 N ATOM 394 CZ ARG A 28 8.994 -1.998 -7.894 1.00 0.00 C ATOM 395 NH1 ARG A 28 9.052 -0.705 -8.193 1.00 0.00 N ATOM 396 NH2 ARG A 28 9.701 -2.843 -8.623 1.00 0.00 N ATOM 0 H ARG A 28 4.394 -3.454 -2.951 1.00 0.00 H new ATOM 0 HA ARG A 28 2.855 -1.746 -4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.670 -0.837 -5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.465 -1.363 -4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.192 -3.460 -5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.529 -2.770 -6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.028 -0.774 -6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.692 -1.466 -5.130 1.00 0.00 H new ATOM 0 HE ARG A 28 8.347 -3.462 -6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.506 -0.032 -7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.643 -0.385 -8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.665 -3.843 -8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.283 -2.496 -9.385 1.00 0.00 H new ATOM 410 N ILE A 29 2.505 -3.787 -6.314 1.00 0.00 N ATOM 411 CA ILE A 29 2.503 -4.930 -7.213 1.00 0.00 C ATOM 412 C ILE A 29 3.797 -4.789 -8.005 1.00 0.00 C ATOM 413 O ILE A 29 3.960 -3.788 -8.710 1.00 0.00 O ATOM 414 CB ILE A 29 1.297 -4.927 -8.172 1.00 0.00 C ATOM 415 CG1 ILE A 29 -0.061 -4.581 -7.538 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.229 -6.283 -8.904 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.572 -5.582 -6.504 1.00 0.00 C ATOM 0 H ILE A 29 1.825 -3.057 -6.527 1.00 0.00 H new ATOM 0 HA ILE A 29 2.431 -5.865 -6.657 1.00 0.00 H new ATOM 0 HB ILE A 29 1.477 -4.109 -8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.016 -3.602 -7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.802 -4.493 -8.332 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.377 -6.287 -9.584 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.147 -6.437 -9.471 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.114 -7.085 -8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.535 -5.247 -6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.689 -6.560 -6.971 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.142 -5.655 -5.684 1.00 0.00 H new ATOM 429 N ASP A 30 4.729 -5.724 -7.854 1.00 0.00 N ATOM 430 CA ASP A 30 5.941 -5.710 -8.658 1.00 0.00 C ATOM 431 C ASP A 30 5.675 -6.395 -10.003 1.00 0.00 C ATOM 432 O ASP A 30 4.596 -6.948 -10.249 1.00 0.00 O ATOM 433 CB ASP A 30 7.101 -6.354 -7.882 1.00 0.00 C ATOM 434 CG ASP A 30 8.433 -5.669 -8.203 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.734 -5.370 -9.381 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.181 -5.346 -7.251 1.00 0.00 O ATOM 0 H ASP A 30 4.668 -6.494 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 30 6.237 -4.682 -8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.905 -6.290 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.165 -7.413 -8.132 1.00 0.00 H new ATOM 441 N GLU A 31 6.666 -6.400 -10.884 1.00 0.00 N ATOM 442 CA GLU A 31 6.796 -7.346 -11.975 1.00 0.00 C ATOM 443 C GLU A 31 7.877 -8.359 -11.594 1.00 0.00 C ATOM 444 O GLU A 31 8.303 -8.425 -10.436 1.00 0.00 O ATOM 445 CB GLU A 31 7.077 -6.622 -13.298 1.00 0.00 C ATOM 446 CG GLU A 31 8.349 -5.754 -13.337 1.00 0.00 C ATOM 447 CD GLU A 31 8.042 -4.278 -13.592 1.00 0.00 C ATOM 448 OE1 GLU A 31 7.160 -3.954 -14.423 1.00 0.00 O ATOM 449 OE2 GLU A 31 8.654 -3.416 -12.918 1.00 0.00 O ATOM 0 H GLU A 31 7.426 -5.720 -10.854 1.00 0.00 H new ATOM 0 HA GLU A 31 5.863 -7.885 -12.137 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.146 -7.368 -14.090 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.221 -5.988 -13.531 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.882 -5.853 -12.391 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.014 -6.124 -14.118 1.00 0.00 H new ATOM 456 N LEU A 32 8.298 -9.188 -12.545 1.00 0.00 N ATOM 457 CA LEU A 32 9.266 -10.251 -12.336 1.00 0.00 C ATOM 458 C LEU A 32 10.350 -10.053 -13.393 1.00 0.00 C ATOM 459 O LEU A 32 9.998 -10.025 -14.578 1.00 0.00 O ATOM 460 CB LEU A 32 8.574 -11.615 -12.474 1.00 0.00 C ATOM 461 CG LEU A 32 7.540 -11.875 -11.354 1.00 0.00 C ATOM 462 CD1 LEU A 32 6.303 -12.590 -11.901 1.00 0.00 C ATOM 463 CD2 LEU A 32 8.153 -12.669 -10.196 1.00 0.00 C ATOM 0 H LEU A 32 7.964 -9.134 -13.507 1.00 0.00 H new ATOM 0 HA LEU A 32 9.704 -10.222 -11.338 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.076 -11.669 -13.442 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.327 -12.403 -12.458 1.00 0.00 H new ATOM 0 HG LEU A 32 7.231 -10.904 -10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.593 -12.760 -11.091 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.836 -11.974 -12.669 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.597 -13.547 -12.332 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.398 -12.833 -9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.512 -13.630 -10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.986 -12.109 -9.772 1.00 0.00 H new ATOM 475 N PRO A 33 11.627 -9.890 -13.014 1.00 0.00 N ATOM 476 CA PRO A 33 12.719 -9.906 -13.972 1.00 0.00 C ATOM 477 C PRO A 33 12.803 -11.289 -14.636 1.00 0.00 C ATOM 478 O PRO A 33 12.284 -12.285 -14.118 1.00 0.00 O ATOM 479 CB PRO A 33 13.973 -9.528 -13.179 1.00 0.00 C ATOM 480 CG PRO A 33 13.640 -9.845 -11.724 1.00 0.00 C ATOM 481 CD PRO A 33 12.116 -9.773 -11.652 1.00 0.00 C ATOM 0 HA PRO A 33 12.585 -9.200 -14.791 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.839 -10.097 -13.517 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.216 -8.473 -13.306 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.004 -10.833 -11.440 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.103 -9.128 -11.046 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.720 -10.575 -11.029 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.794 -8.833 -11.205 1.00 0.00 H new ATOM 489 N GLU A 34 13.422 -11.349 -15.816 1.00 0.00 N ATOM 490 CA GLU A 34 13.350 -12.517 -16.685 1.00 0.00 C ATOM 491 C GLU A 34 14.296 -13.617 -16.213 1.00 0.00 C ATOM 492 O GLU A 34 15.375 -13.817 -16.778 1.00 0.00 O ATOM 493 CB GLU A 34 13.611 -12.136 -18.142 1.00 0.00 C ATOM 494 CG GLU A 34 12.473 -11.276 -18.681 1.00 0.00 C ATOM 495 CD GLU A 34 12.498 -11.313 -20.201 1.00 0.00 C ATOM 496 OE1 GLU A 34 11.848 -12.221 -20.769 1.00 0.00 O ATOM 497 OE2 GLU A 34 13.205 -10.497 -20.834 1.00 0.00 O ATOM 0 H GLU A 34 13.986 -10.588 -16.193 1.00 0.00 H new ATOM 0 HA GLU A 34 12.337 -12.915 -16.627 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.553 -11.593 -18.219 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.712 -13.037 -18.747 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.516 -11.644 -18.312 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.577 -10.250 -18.328 1.00 0.00 H new ATOM 504 N GLY A 35 13.893 -14.317 -15.164 1.00 0.00 N ATOM 505 CA GLY A 35 14.711 -15.283 -14.461 1.00 0.00 C ATOM 506 C GLY A 35 14.205 -15.509 -13.042 1.00 0.00 C ATOM 507 O GLY A 35 14.509 -16.555 -12.473 1.00 0.00 O ATOM 0 H GLY A 35 12.957 -14.223 -14.769 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.710 -16.228 -15.005 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.743 -14.934 -14.430 1.00 0.00 H new ATOM 511 N ALA A 36 13.416 -14.588 -12.475 1.00 0.00 N ATOM 512 CA ALA A 36 12.871 -14.701 -11.136 1.00 0.00 C ATOM 513 C ALA A 36 11.800 -15.794 -11.019 1.00 0.00 C ATOM 514 O ALA A 36 11.314 -16.361 -12.000 1.00 0.00 O ATOM 515 CB ALA A 36 12.318 -13.337 -10.720 1.00 0.00 C ATOM 0 H ALA A 36 13.139 -13.730 -12.952 1.00 0.00 H new ATOM 0 HA ALA A 36 13.672 -15.003 -10.462 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.904 -13.404 -9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.121 -12.600 -10.734 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.535 -13.034 -11.415 1.00 0.00 H new ATOM 521 N VAL A 37 11.444 -16.068 -9.769 1.00 0.00 N ATOM 522 CA VAL A 37 10.513 -17.096 -9.317 1.00 0.00 C ATOM 523 C VAL A 37 9.063 -16.672 -9.597 1.00 0.00 C ATOM 524 O VAL A 37 8.523 -15.785 -8.938 1.00 0.00 O ATOM 525 CB VAL A 37 10.809 -17.474 -7.850 1.00 0.00 C ATOM 526 CG1 VAL A 37 11.039 -16.260 -6.952 1.00 0.00 C ATOM 527 CG2 VAL A 37 9.753 -18.409 -7.239 1.00 0.00 C ATOM 0 H VAL A 37 11.827 -15.538 -8.987 1.00 0.00 H new ATOM 0 HA VAL A 37 10.655 -18.013 -9.888 1.00 0.00 H new ATOM 0 HB VAL A 37 11.746 -18.029 -7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.242 -16.593 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.890 -15.689 -7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.149 -15.630 -6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.021 -18.636 -6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.778 -17.922 -7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.710 -19.334 -7.814 1.00 0.00 H new ATOM 537 N LYS A 38 8.413 -17.305 -10.577 1.00 0.00 N ATOM 538 CA LYS A 38 7.021 -17.018 -10.920 1.00 0.00 C ATOM 539 C LYS A 38 6.065 -17.277 -9.740 1.00 0.00 C ATOM 540 O LYS A 38 6.228 -18.286 -9.038 1.00 0.00 O ATOM 541 CB LYS A 38 6.619 -17.802 -12.178 1.00 0.00 C ATOM 542 CG LYS A 38 6.569 -19.328 -11.997 1.00 0.00 C ATOM 543 CD LYS A 38 6.594 -20.021 -13.360 1.00 0.00 C ATOM 544 CE LYS A 38 6.457 -21.535 -13.214 1.00 0.00 C ATOM 545 NZ LYS A 38 6.711 -22.216 -14.497 1.00 0.00 N ATOM 0 H LYS A 38 8.838 -18.031 -11.154 1.00 0.00 H new ATOM 0 HA LYS A 38 6.936 -15.954 -11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.639 -17.457 -12.507 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.324 -17.568 -12.976 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.417 -19.659 -11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.666 -19.608 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.783 -19.638 -13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.526 -19.786 -13.873 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.158 -21.896 -12.462 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.456 -21.780 -12.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.612 -23.243 -14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.026 -21.887 -15.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.675 -21.999 -14.820 1.00 0.00 H new ATOM 559 N PRO A 39 5.039 -16.427 -9.541 1.00 0.00 N ATOM 560 CA PRO A 39 4.130 -16.490 -8.399 1.00 0.00 C ATOM 561 C PRO A 39 3.185 -17.685 -8.474 1.00 0.00 C ATOM 562 O PRO A 39 2.970 -18.231 -9.557 1.00 0.00 O ATOM 563 CB PRO A 39 3.341 -15.171 -8.435 1.00 0.00 C ATOM 564 CG PRO A 39 3.314 -14.829 -9.920 1.00 0.00 C ATOM 565 CD PRO A 39 4.698 -15.288 -10.371 1.00 0.00 C ATOM 0 HA PRO A 39 4.685 -16.618 -7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.336 -15.290 -8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.830 -14.392 -7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.517 -15.355 -10.446 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.160 -13.764 -10.092 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.692 -15.563 -11.426 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.430 -14.489 -10.254 1.00 0.00 H new ATOM 573 N PRO A 40 2.620 -18.108 -7.328 1.00 0.00 N ATOM 574 CA PRO A 40 1.626 -19.157 -7.290 1.00 0.00 C ATOM 575 C PRO A 40 0.274 -18.664 -7.778 1.00 0.00 C ATOM 576 O PRO A 40 0.065 -17.473 -8.016 1.00 0.00 O ATOM 577 CB PRO A 40 1.565 -19.631 -5.833 1.00 0.00 C ATOM 578 CG PRO A 40 1.945 -18.383 -5.053 1.00 0.00 C ATOM 579 CD PRO A 40 2.852 -17.593 -5.991 1.00 0.00 C ATOM 0 HA PRO A 40 1.894 -19.977 -7.957 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.570 -19.987 -5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.258 -20.451 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.063 -17.805 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.461 -18.638 -4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.626 -16.528 -5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.898 -17.710 -5.707 1.00 0.00 H new ATOM 587 N ALA A 41 -0.654 -19.610 -7.898 1.00 0.00 N ATOM 588 CA ALA A 41 -1.967 -19.362 -8.419 1.00 0.00 C ATOM 589 C ALA A 41 -2.679 -18.296 -7.609 1.00 0.00 C ATOM 590 O ALA A 41 -2.744 -18.360 -6.376 1.00 0.00 O ATOM 591 CB ALA A 41 -2.809 -20.627 -8.410 1.00 0.00 C ATOM 0 H ALA A 41 -0.498 -20.581 -7.628 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.844 -19.018 -9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.799 -20.408 -8.810 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.329 -21.388 -9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.904 -20.994 -7.388 1.00 0.00 H new ATOM 597 N ASN A 42 -3.243 -17.363 -8.366 1.00 0.00 N ATOM 598 CA ASN A 42 -3.970 -16.173 -7.947 1.00 0.00 C ATOM 599 C ASN A 42 -3.283 -15.533 -6.751 1.00 0.00 C ATOM 600 O ASN A 42 -3.923 -15.252 -5.731 1.00 0.00 O ATOM 601 CB ASN A 42 -5.456 -16.487 -7.717 1.00 0.00 C ATOM 602 CG ASN A 42 -6.213 -16.751 -9.013 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.686 -16.686 -10.124 1.00 0.00 O ATOM 604 ND2 ASN A 42 -7.483 -17.082 -8.911 1.00 0.00 N ATOM 0 H ASN A 42 -3.198 -17.427 -9.383 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.950 -15.432 -8.747 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.542 -17.358 -7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.922 -15.652 -7.193 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.027 -17.283 -9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.924 -17.137 -7.993 1.00 0.00 H new ATOM 611 N LYS A 43 -1.969 -15.329 -6.884 1.00 0.00 N ATOM 612 CA LYS A 43 -1.209 -14.393 -6.080 1.00 0.00 C ATOM 613 C LYS A 43 -0.391 -13.520 -7.020 1.00 0.00 C ATOM 614 O LYS A 43 -0.092 -13.908 -8.152 1.00 0.00 O ATOM 615 CB LYS A 43 -0.339 -15.120 -5.048 1.00 0.00 C ATOM 616 CG LYS A 43 -1.205 -16.041 -4.180 1.00 0.00 C ATOM 617 CD LYS A 43 -0.570 -16.481 -2.861 1.00 0.00 C ATOM 618 CE LYS A 43 -1.438 -17.567 -2.204 1.00 0.00 C ATOM 619 NZ LYS A 43 -1.506 -18.821 -2.988 1.00 0.00 N ATOM 0 H LYS A 43 -1.401 -15.825 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.882 -13.760 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.429 -15.703 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.176 -14.394 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.143 -15.530 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.454 -16.930 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.435 -16.864 -3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.471 -15.627 -2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.041 -17.788 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.447 -17.180 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.801 -19.602 -2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.195 -18.711 -3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.569 -19.032 -3.388 1.00 0.00 H new ATOM 633 N TYR A 44 -0.011 -12.351 -6.532 1.00 0.00 N ATOM 634 CA TYR A 44 0.810 -11.367 -7.215 1.00 0.00 C ATOM 635 C TYR A 44 2.124 -11.253 -6.434 1.00 0.00 C ATOM 636 O TYR A 44 2.126 -11.551 -5.235 1.00 0.00 O ATOM 637 CB TYR A 44 0.084 -10.010 -7.265 1.00 0.00 C ATOM 638 CG TYR A 44 -1.383 -10.040 -7.668 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.767 -10.147 -9.019 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.373 -9.959 -6.674 1.00 0.00 C ATOM 641 CE1 TYR A 44 -3.128 -10.133 -9.377 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.734 -9.964 -7.021 1.00 0.00 C ATOM 643 CZ TYR A 44 -4.122 -10.047 -8.378 1.00 0.00 C ATOM 644 OH TYR A 44 -5.439 -10.119 -8.713 1.00 0.00 O ATOM 0 H TYR A 44 -0.282 -12.047 -5.597 1.00 0.00 H new ATOM 0 HA TYR A 44 1.005 -11.669 -8.244 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.158 -9.547 -6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.616 -9.364 -7.963 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.012 -10.240 -9.785 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.085 -9.892 -5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.412 -10.188 -10.417 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.487 -9.904 -6.249 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.543 -10.675 -9.513 1.00 0.00 H new ATOM 654 N PRO A 45 3.239 -10.863 -7.070 1.00 0.00 N ATOM 655 CA PRO A 45 4.458 -10.482 -6.365 1.00 0.00 C ATOM 656 C PRO A 45 4.210 -9.195 -5.563 1.00 0.00 C ATOM 657 O PRO A 45 4.126 -8.112 -6.149 1.00 0.00 O ATOM 658 CB PRO A 45 5.519 -10.320 -7.464 1.00 0.00 C ATOM 659 CG PRO A 45 4.703 -9.905 -8.684 1.00 0.00 C ATOM 660 CD PRO A 45 3.384 -10.651 -8.505 1.00 0.00 C ATOM 0 HA PRO A 45 4.789 -11.219 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.259 -9.565 -7.200 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.061 -11.249 -7.640 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.552 -8.826 -8.717 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.200 -10.186 -9.613 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.550 -10.071 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.396 -11.600 -9.041 1.00 0.00 H new ATOM 668 N ILE A 46 4.062 -9.301 -4.240 1.00 0.00 N ATOM 669 CA ILE A 46 3.820 -8.170 -3.350 1.00 0.00 C ATOM 670 C ILE A 46 5.138 -7.866 -2.638 1.00 0.00 C ATOM 671 O ILE A 46 5.627 -8.675 -1.848 1.00 0.00 O ATOM 672 CB ILE A 46 2.640 -8.482 -2.395 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.330 -8.783 -3.162 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.369 -7.365 -1.378 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.892 -7.724 -4.186 1.00 0.00 C ATOM 0 H ILE A 46 4.109 -10.195 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 46 3.513 -7.276 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 46 2.957 -9.372 -1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.446 -9.735 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.528 -8.911 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.531 -7.648 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.256 -7.210 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.128 -6.443 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.036 -8.040 -4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.735 -6.772 -3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.667 -7.608 -4.944 1.00 0.00 H new ATOM 687 N PHE A 47 5.735 -6.718 -2.957 1.00 0.00 N ATOM 688 CA PHE A 47 6.898 -6.164 -2.272 1.00 0.00 C ATOM 689 C PHE A 47 6.404 -5.270 -1.136 1.00 0.00 C ATOM 690 O PHE A 47 5.605 -4.365 -1.384 1.00 0.00 O ATOM 691 CB PHE A 47 7.723 -5.369 -3.289 1.00 0.00 C ATOM 692 CG PHE A 47 8.908 -4.621 -2.712 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.050 -5.330 -2.293 1.00 0.00 C ATOM 694 CD2 PHE A 47 8.897 -3.215 -2.645 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.199 -4.639 -1.876 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.041 -2.527 -2.209 1.00 0.00 C ATOM 697 CZ PHE A 47 11.198 -3.235 -1.843 1.00 0.00 C ATOM 0 H PHE A 47 5.410 -6.130 -3.725 1.00 0.00 H new ATOM 0 HA PHE A 47 7.528 -6.948 -1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.084 -6.054 -4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.068 -4.653 -3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.042 -6.410 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.011 -2.667 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.082 -5.186 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.031 -1.448 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.085 -2.700 -1.537 1.00 0.00 H new ATOM 707 N PHE A 48 6.837 -5.529 0.100 1.00 0.00 N ATOM 708 CA PHE A 48 6.441 -4.772 1.281 1.00 0.00 C ATOM 709 C PHE A 48 7.425 -3.625 1.498 1.00 0.00 C ATOM 710 O PHE A 48 8.529 -3.832 2.015 1.00 0.00 O ATOM 711 CB PHE A 48 6.390 -5.673 2.519 1.00 0.00 C ATOM 712 CG PHE A 48 5.369 -6.783 2.453 1.00 0.00 C ATOM 713 CD1 PHE A 48 4.020 -6.520 2.757 1.00 0.00 C ATOM 714 CD2 PHE A 48 5.775 -8.087 2.123 1.00 0.00 C ATOM 715 CE1 PHE A 48 3.081 -7.567 2.744 1.00 0.00 C ATOM 716 CE2 PHE A 48 4.836 -9.127 2.105 1.00 0.00 C ATOM 717 CZ PHE A 48 3.490 -8.871 2.414 1.00 0.00 C ATOM 0 H PHE A 48 7.486 -6.288 0.308 1.00 0.00 H new ATOM 0 HA PHE A 48 5.441 -4.369 1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.375 -6.113 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.179 -5.055 3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.706 -5.515 3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.809 -8.287 1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.047 -7.370 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.149 -10.129 1.852 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.770 -9.675 2.398 1.00 0.00 H new ATOM 727 N PHE A 49 7.018 -2.417 1.114 1.00 0.00 N ATOM 728 CA PHE A 49 7.831 -1.212 1.179 1.00 0.00 C ATOM 729 C PHE A 49 8.416 -0.990 2.583 1.00 0.00 C ATOM 730 O PHE A 49 7.771 -1.281 3.598 1.00 0.00 O ATOM 731 CB PHE A 49 6.970 -0.014 0.753 1.00 0.00 C ATOM 732 CG PHE A 49 6.876 0.214 -0.735 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.061 0.441 -1.454 1.00 0.00 C ATOM 734 CD2 PHE A 49 5.634 0.339 -1.385 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.015 0.817 -2.800 1.00 0.00 C ATOM 736 CE2 PHE A 49 5.591 0.723 -2.737 1.00 0.00 C ATOM 737 CZ PHE A 49 6.779 0.971 -3.447 1.00 0.00 C ATOM 0 H PHE A 49 6.085 -2.248 0.738 1.00 0.00 H new ATOM 0 HA PHE A 49 8.678 -1.323 0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.963 -0.152 1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.373 0.886 1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.016 0.324 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.718 0.141 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.933 0.989 -3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.638 0.828 -3.234 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.741 1.278 -4.482 1.00 0.00 H new ATOM 747 N GLY A 50 9.637 -0.447 2.648 1.00 0.00 N ATOM 748 CA GLY A 50 10.369 -0.155 3.880 1.00 0.00 C ATOM 749 C GLY A 50 10.976 -1.414 4.493 1.00 0.00 C ATOM 750 O GLY A 50 12.139 -1.435 4.880 1.00 0.00 O ATOM 0 H GLY A 50 10.160 -0.190 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.160 0.565 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.697 0.312 4.600 1.00 0.00 H new ATOM 754 N THR A 51 10.202 -2.489 4.585 1.00 0.00 N ATOM 755 CA THR A 51 10.676 -3.764 5.106 1.00 0.00 C ATOM 756 C THR A 51 11.450 -4.569 4.058 1.00 0.00 C ATOM 757 O THR A 51 12.266 -5.411 4.426 1.00 0.00 O ATOM 758 CB THR A 51 9.469 -4.521 5.668 1.00 0.00 C ATOM 759 OG1 THR A 51 8.333 -4.437 4.818 1.00 0.00 O ATOM 760 CG2 THR A 51 9.063 -3.868 6.991 1.00 0.00 C ATOM 0 H THR A 51 9.223 -2.500 4.299 1.00 0.00 H new ATOM 0 HA THR A 51 11.396 -3.593 5.906 1.00 0.00 H new ATOM 0 HB THR A 51 9.764 -5.565 5.775 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.626 -4.299 3.893 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.204 -4.394 7.408 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.895 -3.920 7.693 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.800 -2.825 6.816 1.00 0.00 H new ATOM 768 N HIS A 52 11.218 -4.286 2.773 1.00 0.00 N ATOM 769 CA HIS A 52 11.850 -4.876 1.596 1.00 0.00 C ATOM 770 C HIS A 52 11.746 -6.405 1.538 1.00 0.00 C ATOM 771 O HIS A 52 12.527 -7.054 0.840 1.00 0.00 O ATOM 772 CB HIS A 52 13.289 -4.355 1.422 1.00 0.00 C ATOM 773 CG HIS A 52 13.461 -2.876 1.676 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.473 -2.306 2.412 1.00 0.00 N ATOM 775 CD2 HIS A 52 12.608 -1.875 1.298 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.221 -0.990 2.505 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.084 -0.681 1.848 1.00 0.00 N ATOM 0 H HIS A 52 10.528 -3.582 2.511 1.00 0.00 H new ATOM 0 HA HIS A 52 11.278 -4.540 0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.944 -4.904 2.098 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.621 -4.576 0.408 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.726 -1.987 0.685 1.00 0.00 H new ATOM 0 HE1 HIS A 52 14.841 -0.280 3.031 1.00 0.00 H new ATOM 0 HE2 HIS A 52 12.656 0.241 1.768 1.00 0.00 H new ATOM 785 N GLU A 53 10.795 -6.991 2.264 1.00 0.00 N ATOM 786 CA GLU A 53 10.428 -8.384 2.083 1.00 0.00 C ATOM 787 C GLU A 53 9.534 -8.500 0.850 1.00 0.00 C ATOM 788 O GLU A 53 8.958 -7.512 0.380 1.00 0.00 O ATOM 789 CB GLU A 53 9.696 -8.909 3.330 1.00 0.00 C ATOM 790 CG GLU A 53 10.571 -8.870 4.595 1.00 0.00 C ATOM 791 CD GLU A 53 10.547 -10.192 5.370 1.00 0.00 C ATOM 792 OE1 GLU A 53 10.984 -11.237 4.828 1.00 0.00 O ATOM 793 OE2 GLU A 53 10.141 -10.178 6.555 1.00 0.00 O ATOM 0 H GLU A 53 10.263 -6.511 2.990 1.00 0.00 H new ATOM 0 HA GLU A 53 11.325 -8.986 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.798 -8.314 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.370 -9.934 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.598 -8.636 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.227 -8.066 5.245 1.00 0.00 H new ATOM 800 N THR A 54 9.338 -9.731 0.389 1.00 0.00 N ATOM 801 CA THR A 54 8.283 -10.079 -0.538 1.00 0.00 C ATOM 802 C THR A 54 7.481 -11.216 0.083 1.00 0.00 C ATOM 803 O THR A 54 8.014 -12.035 0.840 1.00 0.00 O ATOM 804 CB THR A 54 8.847 -10.465 -1.918 1.00 0.00 C ATOM 805 OG1 THR A 54 10.002 -11.279 -1.825 1.00 0.00 O ATOM 806 CG2 THR A 54 9.213 -9.244 -2.759 1.00 0.00 C ATOM 0 H THR A 54 9.921 -10.524 0.658 1.00 0.00 H new ATOM 0 HA THR A 54 7.636 -9.219 -0.711 1.00 0.00 H new ATOM 0 HB THR A 54 8.042 -11.021 -2.398 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.321 -11.498 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.606 -9.570 -3.722 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.325 -8.632 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.970 -8.657 -2.238 1.00 0.00 H new ATOM 814 N ALA A 55 6.209 -11.312 -0.281 1.00 0.00 N ATOM 815 CA ALA A 55 5.463 -12.555 -0.237 1.00 0.00 C ATOM 816 C ALA A 55 4.565 -12.551 -1.459 1.00 0.00 C ATOM 817 O ALA A 55 4.254 -11.495 -2.015 1.00 0.00 O ATOM 818 CB ALA A 55 4.630 -12.670 1.049 1.00 0.00 C ATOM 0 H ALA A 55 5.664 -10.519 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 55 6.139 -13.410 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.085 -13.614 1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.291 -12.635 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.922 -11.843 1.099 1.00 0.00 H new ATOM 824 N PHE A 56 4.088 -13.728 -1.836 1.00 0.00 N ATOM 825 CA PHE A 56 3.008 -13.820 -2.785 1.00 0.00 C ATOM 826 C PHE A 56 1.717 -13.758 -1.982 1.00 0.00 C ATOM 827 O PHE A 56 1.513 -14.570 -1.072 1.00 0.00 O ATOM 828 CB PHE A 56 3.165 -15.091 -3.615 1.00 0.00 C ATOM 829 CG PHE A 56 4.475 -15.175 -4.387 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.767 -14.238 -5.397 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.407 -16.193 -4.103 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.966 -14.324 -6.129 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.605 -16.282 -4.838 1.00 0.00 C ATOM 834 CZ PHE A 56 6.882 -15.349 -5.850 1.00 0.00 C ATOM 0 H PHE A 56 4.435 -14.625 -1.496 1.00 0.00 H new ATOM 0 HA PHE A 56 3.003 -13.003 -3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.090 -15.955 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.336 -15.156 -4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.065 -13.446 -5.612 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.202 -16.907 -3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.180 -13.603 -6.904 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.312 -17.069 -4.623 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.800 -15.421 -6.414 1.00 0.00 H new ATOM 844 N LEU A 57 0.846 -12.800 -2.294 1.00 0.00 N ATOM 845 CA LEU A 57 -0.485 -12.679 -1.701 1.00 0.00 C ATOM 846 C LEU A 57 -1.500 -12.520 -2.821 1.00 0.00 C ATOM 847 O LEU A 57 -1.168 -12.027 -3.902 1.00 0.00 O ATOM 848 CB LEU A 57 -0.564 -11.487 -0.735 1.00 0.00 C ATOM 849 CG LEU A 57 0.209 -11.663 0.584 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.154 -10.345 1.369 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.387 -12.771 1.462 1.00 0.00 C ATOM 0 H LEU A 57 1.049 -12.072 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.700 -13.577 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.185 -10.601 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.612 -11.297 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 57 1.233 -11.940 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.699 -10.457 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.609 -9.550 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.885 -10.091 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.192 -12.858 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.421 -12.525 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.357 -13.718 0.923 1.00 0.00 H new ATOM 863 N GLY A 58 -2.737 -12.947 -2.570 1.00 0.00 N ATOM 864 CA GLY A 58 -3.824 -12.896 -3.530 1.00 0.00 C ATOM 865 C GLY A 58 -4.792 -11.752 -3.227 1.00 0.00 C ATOM 866 O GLY A 58 -4.739 -11.162 -2.145 1.00 0.00 O ATOM 0 H GLY A 58 -3.011 -13.346 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.418 -12.773 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.364 -13.843 -3.519 1.00 0.00 H new ATOM 870 N PRO A 59 -5.711 -11.458 -4.160 1.00 0.00 N ATOM 871 CA PRO A 59 -6.531 -10.244 -4.194 1.00 0.00 C ATOM 872 C PRO A 59 -7.553 -10.097 -3.063 1.00 0.00 C ATOM 873 O PRO A 59 -8.368 -9.175 -3.112 1.00 0.00 O ATOM 874 CB PRO A 59 -7.235 -10.269 -5.553 1.00 0.00 C ATOM 875 CG PRO A 59 -7.186 -11.729 -5.987 1.00 0.00 C ATOM 876 CD PRO A 59 -5.910 -12.257 -5.357 1.00 0.00 C ATOM 0 HA PRO A 59 -5.878 -9.383 -4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.262 -9.914 -5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.730 -9.625 -6.273 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.060 -12.279 -5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.163 -11.822 -7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.002 -13.315 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.066 -12.160 -6.039 1.00 0.00 H new ATOM 884 N LYS A 60 -7.553 -10.997 -2.080 1.00 0.00 N ATOM 885 CA LYS A 60 -8.425 -10.930 -0.915 1.00 0.00 C ATOM 886 C LYS A 60 -7.687 -10.416 0.329 1.00 0.00 C ATOM 887 O LYS A 60 -8.316 -10.187 1.362 1.00 0.00 O ATOM 888 CB LYS A 60 -9.062 -12.310 -0.695 1.00 0.00 C ATOM 889 CG LYS A 60 -10.131 -12.612 -1.762 1.00 0.00 C ATOM 890 CD LYS A 60 -10.792 -13.973 -1.523 1.00 0.00 C ATOM 891 CE LYS A 60 -12.120 -14.103 -2.273 1.00 0.00 C ATOM 892 NZ LYS A 60 -11.976 -14.416 -3.708 1.00 0.00 N ATOM 0 H LYS A 60 -6.934 -11.807 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.217 -10.204 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.289 -13.078 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.514 -12.350 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.890 -11.830 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.674 -12.597 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.116 -14.766 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.963 -14.111 -0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.716 -14.883 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.675 -13.171 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.918 -14.487 -4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.435 -13.661 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.474 -15.320 -3.817 1.00 0.00 H new ATOM 906 N ASP A 61 -6.363 -10.224 0.273 1.00 0.00 N ATOM 907 CA ASP A 61 -5.559 -9.650 1.369 1.00 0.00 C ATOM 908 C ASP A 61 -5.053 -8.244 1.004 1.00 0.00 C ATOM 909 O ASP A 61 -4.219 -7.677 1.716 1.00 0.00 O ATOM 910 CB ASP A 61 -4.385 -10.578 1.740 1.00 0.00 C ATOM 911 CG ASP A 61 -4.799 -11.806 2.545 1.00 0.00 C ATOM 912 OD1 ASP A 61 -5.527 -11.667 3.563 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.382 -12.920 2.166 1.00 0.00 O ATOM 0 H ASP A 61 -5.807 -10.466 -0.547 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.204 -9.559 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.890 -10.905 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.653 -10.010 2.313 1.00 0.00 H new ATOM 918 N LEU A 62 -5.517 -7.694 -0.124 1.00 0.00 N ATOM 919 CA LEU A 62 -4.871 -6.630 -0.878 1.00 0.00 C ATOM 920 C LEU A 62 -5.945 -5.665 -1.384 1.00 0.00 C ATOM 921 O LEU A 62 -6.963 -6.118 -1.915 1.00 0.00 O ATOM 922 CB LEU A 62 -4.144 -7.249 -2.085 1.00 0.00 C ATOM 923 CG LEU A 62 -3.082 -8.325 -1.822 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.599 -8.830 -3.184 1.00 0.00 C ATOM 925 CD2 LEU A 62 -1.901 -7.780 -1.020 1.00 0.00 C ATOM 0 H LEU A 62 -6.393 -7.997 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.159 -6.099 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.899 -7.681 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.667 -6.439 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.520 -9.129 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.840 -9.599 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.440 -9.250 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.172 -8.001 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.174 -8.575 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.431 -6.966 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.255 -7.409 -0.058 1.00 0.00 H new ATOM 937 N PHE A 63 -5.720 -4.357 -1.254 1.00 0.00 N ATOM 938 CA PHE A 63 -6.710 -3.308 -1.532 1.00 0.00 C ATOM 939 C PHE A 63 -6.115 -2.281 -2.524 1.00 0.00 C ATOM 940 O PHE A 63 -4.885 -2.191 -2.615 1.00 0.00 O ATOM 941 CB PHE A 63 -7.100 -2.660 -0.186 1.00 0.00 C ATOM 942 CG PHE A 63 -7.740 -3.596 0.826 1.00 0.00 C ATOM 943 CD1 PHE A 63 -6.937 -4.444 1.615 1.00 0.00 C ATOM 944 CD2 PHE A 63 -9.136 -3.610 0.997 1.00 0.00 C ATOM 945 CE1 PHE A 63 -7.526 -5.326 2.536 1.00 0.00 C ATOM 946 CE2 PHE A 63 -9.726 -4.481 1.930 1.00 0.00 C ATOM 947 CZ PHE A 63 -8.923 -5.345 2.694 1.00 0.00 C ATOM 0 H PHE A 63 -4.822 -3.985 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.606 -3.719 -1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.206 -2.225 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.789 -1.839 -0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.862 -4.415 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.757 -2.950 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.907 -5.989 3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.798 -4.486 2.060 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.378 -6.022 3.401 1.00 0.00 H new ATOM 957 N PRO A 64 -6.902 -1.454 -3.240 1.00 0.00 N ATOM 958 CA PRO A 64 -6.368 -0.337 -4.034 1.00 0.00 C ATOM 959 C PRO A 64 -5.745 0.727 -3.114 1.00 0.00 C ATOM 960 O PRO A 64 -6.376 1.101 -2.124 1.00 0.00 O ATOM 961 CB PRO A 64 -7.556 0.256 -4.805 1.00 0.00 C ATOM 962 CG PRO A 64 -8.786 -0.566 -4.406 1.00 0.00 C ATOM 963 CD PRO A 64 -8.355 -1.476 -3.258 1.00 0.00 C ATOM 0 HA PRO A 64 -5.586 -0.677 -4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.695 1.308 -4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.386 0.203 -5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.603 0.086 -4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.149 -1.153 -5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.760 -1.123 -2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.726 -2.490 -3.406 1.00 0.00 H new ATOM 971 N TYR A 65 -4.527 1.213 -3.382 1.00 0.00 N ATOM 972 CA TYR A 65 -3.878 2.236 -2.550 1.00 0.00 C ATOM 973 C TYR A 65 -4.709 3.502 -2.508 1.00 0.00 C ATOM 974 O TYR A 65 -5.102 3.904 -1.421 1.00 0.00 O ATOM 975 CB TYR A 65 -2.486 2.556 -3.081 1.00 0.00 C ATOM 976 CG TYR A 65 -1.754 3.714 -2.444 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.298 3.612 -1.117 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.441 4.852 -3.211 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.537 4.648 -0.548 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.641 5.866 -2.662 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.200 5.776 -1.326 1.00 0.00 C ATOM 982 OH TYR A 65 0.546 6.782 -0.810 1.00 0.00 O ATOM 0 H TYR A 65 -3.965 0.911 -4.178 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.791 1.838 -1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.869 1.664 -2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.569 2.756 -4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.533 2.734 -0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.816 4.945 -4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.212 4.581 0.480 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.362 6.718 -3.265 1.00 0.00 H new ATOM 0 HH TYR A 65 0.457 7.578 -1.375 1.00 0.00 H new ATOM 992 N LYS A 66 -5.001 4.103 -3.666 1.00 0.00 N ATOM 993 CA LYS A 66 -5.621 5.426 -3.773 1.00 0.00 C ATOM 994 C LYS A 66 -6.858 5.564 -2.883 1.00 0.00 C ATOM 995 O LYS A 66 -7.049 6.596 -2.247 1.00 0.00 O ATOM 996 CB LYS A 66 -5.983 5.690 -5.241 1.00 0.00 C ATOM 997 CG LYS A 66 -4.762 6.048 -6.099 1.00 0.00 C ATOM 998 CD LYS A 66 -5.191 6.411 -7.525 1.00 0.00 C ATOM 999 CE LYS A 66 -4.013 6.967 -8.332 1.00 0.00 C ATOM 1000 NZ LYS A 66 -4.458 7.571 -9.607 1.00 0.00 N ATOM 0 H LYS A 66 -4.809 3.675 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.902 6.168 -3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.466 4.806 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.708 6.503 -5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.228 6.886 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.070 5.206 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.592 5.528 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.992 7.149 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.487 7.715 -7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.303 6.166 -8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.633 7.936 -10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.938 6.851 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.116 8.352 -9.410 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.671 4.512 -2.830 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.902 4.424 -2.055 1.00 0.00 C ATOM 1016 C GLU A 67 -8.636 4.451 -0.547 1.00 0.00 C ATOM 1017 O GLU A 67 -9.364 5.099 0.201 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.595 3.108 -2.445 1.00 0.00 C ATOM 1019 CG GLU A 67 -10.353 3.218 -3.767 1.00 0.00 C ATOM 1020 CD GLU A 67 -11.707 3.908 -3.587 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -11.758 5.145 -3.423 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -12.749 3.219 -3.673 1.00 0.00 O ATOM 0 H GLU A 67 -7.478 3.657 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.531 5.286 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.849 2.317 -2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.288 2.817 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.753 3.776 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.504 2.222 -4.184 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.597 3.757 -0.082 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.280 3.547 1.329 1.00 0.00 C ATOM 1031 C TYR A 68 -6.103 4.403 1.801 1.00 0.00 C ATOM 1032 O TYR A 68 -5.653 4.243 2.938 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.021 2.059 1.549 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.290 1.239 1.459 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.799 0.856 0.208 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -8.994 0.906 2.626 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.987 0.117 0.116 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.168 0.141 2.552 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.665 -0.264 1.295 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.802 -1.003 1.229 1.00 0.00 O ATOM 0 H TYR A 68 -6.926 3.308 -0.705 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.130 3.867 1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.307 1.703 0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.564 1.912 2.528 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.270 1.133 -0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.630 1.240 3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.381 -0.159 -0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.690 -0.137 3.455 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.134 -1.175 2.135 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.595 5.308 0.961 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.369 6.059 1.148 1.00 0.00 C ATOM 1052 C LYS A 69 -4.434 6.935 2.397 1.00 0.00 C ATOM 1053 O LYS A 69 -3.402 7.330 2.916 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.141 6.828 -0.162 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.043 7.877 -0.052 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.619 8.420 -1.421 1.00 0.00 C ATOM 1057 CE LYS A 69 -3.645 9.362 -2.060 1.00 0.00 C ATOM 1058 NZ LYS A 69 -3.616 10.715 -1.471 1.00 0.00 N ATOM 0 H LYS A 69 -6.061 5.544 0.085 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.511 5.414 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.884 6.122 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.071 7.313 -0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.391 8.701 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.177 7.443 0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.672 8.949 -1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.441 7.582 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.452 9.431 -3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.643 8.940 -1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.328 11.312 -1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.827 10.656 -0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.673 11.132 -1.605 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.633 7.177 2.918 1.00 0.00 N ATOM 1073 CA ASP A 70 -5.885 7.936 4.129 1.00 0.00 C ATOM 1074 C ASP A 70 -6.494 7.066 5.230 1.00 0.00 C ATOM 1075 O ASP A 70 -6.212 7.277 6.409 1.00 0.00 O ATOM 1076 CB ASP A 70 -6.815 9.069 3.727 1.00 0.00 C ATOM 1077 CG ASP A 70 -7.437 9.763 4.924 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -6.834 10.711 5.474 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -8.558 9.369 5.307 1.00 0.00 O ATOM 0 H ASP A 70 -6.490 6.832 2.485 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.956 8.321 4.550 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.260 9.798 3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.606 8.676 3.088 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.319 6.081 4.862 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.942 5.138 5.793 1.00 0.00 C ATOM 1086 C LYS A 71 -6.868 4.291 6.473 1.00 0.00 C ATOM 1087 O LYS A 71 -6.808 4.217 7.701 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.964 4.270 5.034 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.802 3.382 5.967 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.978 2.740 5.217 1.00 0.00 C ATOM 1091 CE LYS A 71 -12.154 3.716 5.039 1.00 0.00 C ATOM 1092 NZ LYS A 71 -13.279 3.382 5.932 1.00 0.00 N ATOM 0 H LYS A 71 -7.577 5.914 3.889 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.474 5.680 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.629 4.917 4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.437 3.640 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.171 2.603 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.179 3.978 6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.640 2.398 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.318 1.860 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.817 4.733 5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.492 3.693 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.053 4.061 5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.616 2.421 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.962 3.428 6.922 1.00 0.00 H new ATOM 1106 N PHE A 72 -6.050 3.617 5.667 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.969 2.754 6.112 1.00 0.00 C ATOM 1108 C PHE A 72 -3.669 3.540 6.189 1.00 0.00 C ATOM 1109 O PHE A 72 -2.912 3.337 7.138 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.814 1.574 5.146 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.982 0.603 5.058 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.998 0.549 6.037 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.042 -0.274 3.961 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -8.050 -0.373 5.918 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.076 -1.217 3.856 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.081 -1.268 4.834 1.00 0.00 C ATOM 0 H PHE A 72 -6.128 3.662 4.651 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.206 2.372 7.105 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.628 1.973 4.149 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.926 1.012 5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.966 1.221 6.882 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.285 -0.222 3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.835 -0.395 6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.098 -1.903 3.023 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.877 -1.994 4.754 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.423 4.433 5.224 1.00 0.00 N ATOM 1127 CA GLY A 73 -2.210 5.232 5.145 1.00 0.00 C ATOM 1128 C GLY A 73 -2.203 6.315 6.218 1.00 0.00 C ATOM 1129 O GLY A 73 -2.473 7.487 5.954 1.00 0.00 O ATOM 0 H GLY A 73 -4.078 4.619 4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.338 4.589 5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.135 5.690 4.159 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.892 5.920 7.446 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.686 6.794 8.590 1.00 0.00 C ATOM 1135 C LYS A 74 -0.287 6.520 9.132 1.00 0.00 C ATOM 1136 O LYS A 74 0.443 5.665 8.621 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.791 6.557 9.635 1.00 0.00 C ATOM 1138 CG LYS A 74 -4.187 6.960 9.137 1.00 0.00 C ATOM 1139 CD LYS A 74 -5.232 6.711 10.228 1.00 0.00 C ATOM 1140 CE LYS A 74 -6.668 6.932 9.734 1.00 0.00 C ATOM 1141 NZ LYS A 74 -7.044 8.355 9.623 1.00 0.00 N ATOM 0 H LYS A 74 -1.771 4.935 7.681 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.751 7.846 8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.801 5.503 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.557 7.122 10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.190 8.013 8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.441 6.389 8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.132 5.690 10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.036 7.374 11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.785 6.457 8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.358 6.435 10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.025 8.430 9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.964 8.809 10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.409 8.831 8.951 1.00 0.00 H new ATOM 1155 N SER A 75 0.098 7.242 10.175 1.00 0.00 N ATOM 1156 CA SER A 75 1.322 7.004 10.897 1.00 0.00 C ATOM 1157 C SER A 75 1.086 5.857 11.866 1.00 0.00 C ATOM 1158 O SER A 75 -0.031 5.628 12.351 1.00 0.00 O ATOM 1159 CB SER A 75 1.782 8.299 11.560 1.00 0.00 C ATOM 1160 OG SER A 75 0.691 8.958 12.164 1.00 0.00 O ATOM 0 H SER A 75 -0.447 8.022 10.543 1.00 0.00 H new ATOM 0 HA SER A 75 2.136 6.704 10.237 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.543 8.081 12.309 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.243 8.951 10.818 1.00 0.00 H new ATOM 0 HG SER A 75 0.035 8.295 12.467 1.00 0.00 H new ATOM 1166 N ASN A 76 2.148 5.116 12.143 1.00 0.00 N ATOM 1167 CA ASN A 76 2.161 4.076 13.169 1.00 0.00 C ATOM 1168 C ASN A 76 3.569 3.887 13.701 1.00 0.00 C ATOM 1169 O ASN A 76 4.536 3.890 12.934 1.00 0.00 O ATOM 1170 CB ASN A 76 1.657 2.729 12.609 1.00 0.00 C ATOM 1171 CG ASN A 76 0.389 2.199 13.259 1.00 0.00 C ATOM 1172 OD1 ASN A 76 -0.037 2.657 14.318 1.00 0.00 O ATOM 1173 ND2 ASN A 76 -0.216 1.219 12.614 1.00 0.00 N ATOM 0 H ASN A 76 3.039 5.219 11.657 1.00 0.00 H new ATOM 0 HA ASN A 76 1.496 4.396 13.971 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.480 2.840 11.539 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.446 1.986 12.726 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.072 0.812 12.992 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.172 0.869 11.738 1.00 0.00 H new ATOM 1180 N LYS A 77 3.674 3.609 15.001 1.00 0.00 N ATOM 1181 CA LYS A 77 4.939 3.351 15.676 1.00 0.00 C ATOM 1182 C LYS A 77 5.354 1.894 15.445 1.00 0.00 C ATOM 1183 O LYS A 77 5.314 1.069 16.364 1.00 0.00 O ATOM 1184 CB LYS A 77 4.823 3.741 17.162 1.00 0.00 C ATOM 1185 CG LYS A 77 4.506 5.238 17.351 1.00 0.00 C ATOM 1186 CD LYS A 77 4.463 5.627 18.834 1.00 0.00 C ATOM 1187 CE LYS A 77 4.387 7.149 18.987 1.00 0.00 C ATOM 1188 NZ LYS A 77 4.571 7.583 20.388 1.00 0.00 N ATOM 0 H LYS A 77 2.866 3.557 15.622 1.00 0.00 H new ATOM 0 HA LYS A 77 5.736 3.968 15.261 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.041 3.144 17.632 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.756 3.502 17.672 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.260 5.837 16.840 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.547 5.468 16.887 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.600 5.164 19.313 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.350 5.248 19.341 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.150 7.613 18.362 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.421 7.500 18.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.511 8.620 20.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.828 7.163 20.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.503 7.272 20.728 1.00 0.00 H new ATOM 1202 N ARG A 78 5.706 1.555 14.205 1.00 0.00 N ATOM 1203 CA ARG A 78 6.335 0.307 13.785 1.00 0.00 C ATOM 1204 C ARG A 78 7.561 0.698 12.972 1.00 0.00 C ATOM 1205 O ARG A 78 7.432 1.443 11.993 1.00 0.00 O ATOM 1206 CB ARG A 78 5.346 -0.523 12.957 1.00 0.00 C ATOM 1207 CG ARG A 78 4.190 -1.099 13.773 1.00 0.00 C ATOM 1208 CD ARG A 78 4.625 -2.320 14.593 1.00 0.00 C ATOM 1209 NE ARG A 78 3.554 -2.830 15.466 1.00 0.00 N ATOM 1210 CZ ARG A 78 3.191 -2.358 16.666 1.00 0.00 C ATOM 1211 NH1 ARG A 78 3.801 -1.305 17.211 1.00 0.00 N ATOM 1212 NH2 ARG A 78 2.201 -2.933 17.344 1.00 0.00 N ATOM 0 H ARG A 78 5.549 2.186 13.419 1.00 0.00 H new ATOM 0 HA ARG A 78 6.627 -0.310 14.635 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.941 0.101 12.160 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.884 -1.341 12.479 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.800 -0.332 14.442 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.378 -1.381 13.103 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.944 -3.112 13.916 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.489 -2.054 15.202 1.00 0.00 H new ATOM 0 HE ARG A 78 3.030 -3.633 15.118 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.561 -0.842 16.713 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.508 -0.963 18.126 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.714 -3.738 16.951 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.929 -2.569 18.257 1.00 0.00 H new ATOM 1226 N LYS A 79 8.756 0.308 13.400 1.00 0.00 N ATOM 1227 CA LYS A 79 9.995 0.785 12.797 1.00 0.00 C ATOM 1228 C LYS A 79 10.172 0.131 11.428 1.00 0.00 C ATOM 1229 O LYS A 79 10.242 -1.095 11.339 1.00 0.00 O ATOM 1230 CB LYS A 79 11.160 0.526 13.760 1.00 0.00 C ATOM 1231 CG LYS A 79 12.275 1.555 13.528 1.00 0.00 C ATOM 1232 CD LYS A 79 13.410 1.445 14.548 1.00 0.00 C ATOM 1233 CE LYS A 79 12.913 1.785 15.955 1.00 0.00 C ATOM 1234 NZ LYS A 79 14.017 1.824 16.928 1.00 0.00 N ATOM 0 H LYS A 79 8.893 -0.345 14.171 1.00 0.00 H new ATOM 0 HA LYS A 79 9.965 1.861 12.628 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.810 0.584 14.791 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.548 -0.482 13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.681 1.423 12.525 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.851 2.558 13.571 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.818 0.434 14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.220 2.120 14.271 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.408 2.751 15.939 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.177 1.045 16.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.642 2.057 17.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.483 0.895 16.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.707 2.547 16.641 1.00 0.00 H new ATOM 1248 N GLY A 80 10.171 0.925 10.359 1.00 0.00 N ATOM 1249 CA GLY A 80 10.150 0.440 8.982 1.00 0.00 C ATOM 1250 C GLY A 80 8.802 0.693 8.313 1.00 0.00 C ATOM 1251 O GLY A 80 8.757 0.882 7.103 1.00 0.00 O ATOM 0 H GLY A 80 10.185 1.943 10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.937 0.932 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.367 -0.628 8.969 1.00 0.00 H new ATOM 1255 N PHE A 81 7.703 0.767 9.076 1.00 0.00 N ATOM 1256 CA PHE A 81 6.375 1.053 8.529 1.00 0.00 C ATOM 1257 C PHE A 81 6.402 2.432 7.897 1.00 0.00 C ATOM 1258 O PHE A 81 6.222 2.571 6.696 1.00 0.00 O ATOM 1259 CB PHE A 81 5.313 0.962 9.630 1.00 0.00 C ATOM 1260 CG PHE A 81 3.881 1.197 9.198 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.140 0.147 8.628 1.00 0.00 C ATOM 1262 CD2 PHE A 81 3.265 2.444 9.419 1.00 0.00 C ATOM 1263 CE1 PHE A 81 1.786 0.325 8.298 1.00 0.00 C ATOM 1264 CE2 PHE A 81 1.915 2.622 9.079 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.175 1.565 8.536 1.00 0.00 C ATOM 0 H PHE A 81 7.712 0.630 10.087 1.00 0.00 H new ATOM 0 HA PHE A 81 6.114 0.317 7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.376 -0.026 10.086 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.560 1.687 10.405 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.616 -0.805 8.442 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.829 3.259 9.848 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.220 -0.486 7.865 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.444 3.581 9.237 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.130 1.705 8.300 1.00 0.00 H new ATOM 1275 N ASN A 82 6.692 3.457 8.696 1.00 0.00 N ATOM 1276 CA ASN A 82 6.780 4.830 8.266 1.00 0.00 C ATOM 1277 C ASN A 82 7.791 5.071 7.137 1.00 0.00 C ATOM 1278 O ASN A 82 7.674 6.068 6.429 1.00 0.00 O ATOM 1279 CB ASN A 82 7.149 5.631 9.519 1.00 0.00 C ATOM 1280 CG ASN A 82 6.788 7.082 9.351 1.00 0.00 C ATOM 1281 OD1 ASN A 82 7.642 7.960 9.402 1.00 0.00 O ATOM 1282 ND2 ASN A 82 5.508 7.347 9.215 1.00 0.00 N ATOM 0 H ASN A 82 6.877 3.339 9.692 1.00 0.00 H new ATOM 0 HA ASN A 82 5.828 5.140 7.834 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.630 5.220 10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.217 5.538 9.714 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.192 8.314 9.147 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.831 6.585 9.177 1.00 0.00 H new ATOM 1289 N GLU A 83 8.774 4.186 6.956 1.00 0.00 N ATOM 1290 CA GLU A 83 9.704 4.233 5.828 1.00 0.00 C ATOM 1291 C GLU A 83 9.019 3.680 4.576 1.00 0.00 C ATOM 1292 O GLU A 83 9.140 4.254 3.500 1.00 0.00 O ATOM 1293 CB GLU A 83 10.986 3.446 6.150 1.00 0.00 C ATOM 1294 CG GLU A 83 11.650 3.968 7.432 1.00 0.00 C ATOM 1295 CD GLU A 83 13.049 3.409 7.658 1.00 0.00 C ATOM 1296 OE1 GLU A 83 13.942 3.675 6.818 1.00 0.00 O ATOM 1297 OE2 GLU A 83 13.280 2.765 8.704 1.00 0.00 O ATOM 0 H GLU A 83 8.947 3.410 7.595 1.00 0.00 H new ATOM 0 HA GLU A 83 9.990 5.268 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.748 2.389 6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.684 3.526 5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.704 5.056 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.023 3.715 8.287 1.00 0.00 H new ATOM 1304 N GLY A 84 8.224 2.619 4.711 1.00 0.00 N ATOM 1305 CA GLY A 84 7.414 2.112 3.620 1.00 0.00 C ATOM 1306 C GLY A 84 6.374 3.131 3.160 1.00 0.00 C ATOM 1307 O GLY A 84 6.141 3.278 1.960 1.00 0.00 O ATOM 0 H GLY A 84 8.128 2.093 5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.059 1.848 2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.911 1.198 3.936 1.00 0.00 H new ATOM 1311 N LEU A 85 5.762 3.871 4.092 1.00 0.00 N ATOM 1312 CA LEU A 85 4.859 4.966 3.768 1.00 0.00 C ATOM 1313 C LEU A 85 5.585 6.163 3.137 1.00 0.00 C ATOM 1314 O LEU A 85 4.917 7.035 2.583 1.00 0.00 O ATOM 1315 CB LEU A 85 4.082 5.411 5.017 1.00 0.00 C ATOM 1316 CG LEU A 85 2.917 4.494 5.426 1.00 0.00 C ATOM 1317 CD1 LEU A 85 1.837 4.344 4.349 1.00 0.00 C ATOM 1318 CD2 LEU A 85 3.320 3.211 6.143 1.00 0.00 C ATOM 0 H LEU A 85 5.884 3.721 5.094 1.00 0.00 H new ATOM 0 HA LEU A 85 4.158 4.588 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.779 5.481 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.690 6.413 4.844 1.00 0.00 H new ATOM 0 HG LEU A 85 2.411 5.042 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.050 3.683 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.413 5.322 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.279 3.921 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.427 2.635 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.966 2.619 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.855 3.459 7.060 1.00 0.00 H new ATOM 1330 N TRP A 86 6.918 6.231 3.213 1.00 0.00 N ATOM 1331 CA TRP A 86 7.702 7.205 2.469 1.00 0.00 C ATOM 1332 C TRP A 86 7.859 6.714 1.033 1.00 0.00 C ATOM 1333 O TRP A 86 7.592 7.477 0.108 1.00 0.00 O ATOM 1334 CB TRP A 86 9.024 7.499 3.195 1.00 0.00 C ATOM 1335 CG TRP A 86 9.863 8.532 2.531 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.951 9.845 2.836 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.713 8.338 1.379 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.757 10.481 1.912 1.00 0.00 N ATOM 1339 CE2 TRP A 86 11.268 9.591 0.997 1.00 0.00 C ATOM 1340 CE3 TRP A 86 11.047 7.208 0.613 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 12.106 9.721 -0.114 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.901 7.325 -0.496 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.423 8.577 -0.856 1.00 0.00 C ATOM 0 H TRP A 86 7.479 5.608 3.795 1.00 0.00 H new ATOM 0 HA TRP A 86 7.192 8.167 2.418 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.804 7.824 4.212 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.597 6.575 3.272 1.00 0.00 H new ATOM 0 HD1 TRP A 86 9.466 10.324 3.674 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.949 11.483 1.909 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.644 6.242 0.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.502 10.686 -0.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 12.157 6.449 -1.073 1.00 0.00 H new ATOM 0 HH2 TRP A 86 13.075 8.659 -1.713 1.00 0.00 H new ATOM 1354 N GLU A 87 8.248 5.453 0.825 1.00 0.00 N ATOM 1355 CA GLU A 87 8.464 4.928 -0.524 1.00 0.00 C ATOM 1356 C GLU A 87 7.185 5.030 -1.346 1.00 0.00 C ATOM 1357 O GLU A 87 7.219 5.600 -2.429 1.00 0.00 O ATOM 1358 CB GLU A 87 8.935 3.480 -0.493 1.00 0.00 C ATOM 1359 CG GLU A 87 10.457 3.363 -0.428 1.00 0.00 C ATOM 1360 CD GLU A 87 11.172 3.393 -1.786 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.912 2.526 -2.651 1.00 0.00 O ATOM 1362 OE2 GLU A 87 12.050 4.266 -1.960 1.00 0.00 O ATOM 0 H GLU A 87 8.419 4.779 1.572 1.00 0.00 H new ATOM 0 HA GLU A 87 9.244 5.532 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.498 2.977 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.571 2.964 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.842 4.177 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.713 2.433 0.079 1.00 0.00 H new ATOM 1369 N ILE A 88 6.057 4.516 -0.842 1.00 0.00 N ATOM 1370 CA ILE A 88 4.835 4.379 -1.633 1.00 0.00 C ATOM 1371 C ILE A 88 4.371 5.732 -2.198 1.00 0.00 C ATOM 1372 O ILE A 88 4.051 5.836 -3.384 1.00 0.00 O ATOM 1373 CB ILE A 88 3.765 3.640 -0.796 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.624 3.142 -1.705 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.234 4.491 0.375 1.00 0.00 C ATOM 1376 CD1 ILE A 88 1.760 2.052 -1.059 1.00 0.00 C ATOM 0 H ILE A 88 5.968 4.186 0.119 1.00 0.00 H new ATOM 0 HA ILE A 88 5.030 3.768 -2.514 1.00 0.00 H new ATOM 0 HB ILE A 88 4.246 2.774 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.989 3.986 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.050 2.756 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.486 3.923 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.058 4.749 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.782 5.403 -0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.977 1.749 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.383 1.191 -0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.305 2.441 -0.148 1.00 0.00 H new ATOM 1388 N GLU A 89 4.404 6.784 -1.378 1.00 0.00 N ATOM 1389 CA GLU A 89 4.033 8.137 -1.763 1.00 0.00 C ATOM 1390 C GLU A 89 4.950 8.622 -2.885 1.00 0.00 C ATOM 1391 O GLU A 89 4.476 9.140 -3.898 1.00 0.00 O ATOM 1392 CB GLU A 89 4.132 9.051 -0.528 1.00 0.00 C ATOM 1393 CG GLU A 89 2.753 9.348 0.074 1.00 0.00 C ATOM 1394 CD GLU A 89 1.930 10.300 -0.806 1.00 0.00 C ATOM 1395 OE1 GLU A 89 2.165 11.536 -0.764 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.045 9.844 -1.556 1.00 0.00 O ATOM 0 H GLU A 89 4.698 6.711 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 89 3.008 8.158 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.763 8.578 0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.616 9.987 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.207 8.414 0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.877 9.787 1.064 1.00 0.00 H new ATOM 1403 N ASN A 90 6.256 8.417 -2.725 1.00 0.00 N ATOM 1404 CA ASN A 90 7.285 8.923 -3.627 1.00 0.00 C ATOM 1405 C ASN A 90 7.534 7.999 -4.830 1.00 0.00 C ATOM 1406 O ASN A 90 8.257 8.381 -5.753 1.00 0.00 O ATOM 1407 CB ASN A 90 8.560 9.182 -2.811 1.00 0.00 C ATOM 1408 CG ASN A 90 8.339 10.343 -1.844 1.00 0.00 C ATOM 1409 OD1 ASN A 90 8.041 11.461 -2.252 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.370 10.091 -0.549 1.00 0.00 N ATOM 0 H ASN A 90 6.636 7.881 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 90 6.941 9.859 -4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.835 8.285 -2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.389 9.409 -3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.145 10.828 0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.619 9.159 -0.217 1.00 0.00 H new ATOM 1417 N SER A 91 6.923 6.811 -4.863 1.00 0.00 N ATOM 1418 CA SER A 91 7.100 5.769 -5.873 1.00 0.00 C ATOM 1419 C SER A 91 6.716 6.259 -7.272 1.00 0.00 C ATOM 1420 O SER A 91 7.295 5.799 -8.258 1.00 0.00 O ATOM 1421 CB SER A 91 6.251 4.552 -5.466 1.00 0.00 C ATOM 1422 OG SER A 91 6.573 3.385 -6.195 1.00 0.00 O ATOM 0 H SER A 91 6.254 6.537 -4.143 1.00 0.00 H new ATOM 0 HA SER A 91 8.153 5.493 -5.921 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.389 4.359 -4.402 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.197 4.786 -5.613 1.00 0.00 H new ATOM 0 HG SER A 91 6.005 2.645 -5.895 1.00 0.00 H new ATOM 1428 N GLY A 92 5.768 7.196 -7.355 1.00 0.00 N ATOM 1429 CA GLY A 92 5.353 7.882 -8.562 1.00 0.00 C ATOM 1430 C GLY A 92 4.844 9.283 -8.200 1.00 0.00 C ATOM 1431 O GLY A 92 4.726 9.603 -7.011 1.00 0.00 O ATOM 0 H GLY A 92 5.248 7.506 -6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.189 7.955 -9.258 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.568 7.316 -9.064 1.00 0.00 H new ATOM 1435 N PRO A 93 4.548 10.127 -9.199 1.00 0.00 N ATOM 1436 CA PRO A 93 3.889 11.417 -9.022 1.00 0.00 C ATOM 1437 C PRO A 93 2.405 11.211 -8.687 1.00 0.00 C ATOM 1438 O PRO A 93 1.899 10.088 -8.794 1.00 0.00 O ATOM 1439 CB PRO A 93 4.085 12.122 -10.365 1.00 0.00 C ATOM 1440 CG PRO A 93 4.080 10.977 -11.373 1.00 0.00 C ATOM 1441 CD PRO A 93 4.737 9.833 -10.607 1.00 0.00 C ATOM 0 HA PRO A 93 4.297 12.004 -8.199 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.285 12.835 -10.564 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.022 12.678 -10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 93 3.068 10.722 -11.687 1.00 0.00 H new ATOM 0 HG3 PRO A 93 4.639 11.231 -12.274 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.283 8.877 -10.869 1.00 0.00 H new ATOM 0 HD3 PRO A 93 5.797 9.760 -10.850 1.00 0.00 H new ATOM 1449 N SER A 94 1.700 12.280 -8.291 1.00 0.00 N ATOM 1450 CA SER A 94 0.269 12.232 -7.989 1.00 0.00 C ATOM 1451 C SER A 94 -0.273 13.653 -7.766 1.00 0.00 C ATOM 1452 O SER A 94 -0.891 14.234 -8.663 1.00 0.00 O ATOM 1453 CB SER A 94 0.003 11.307 -6.782 1.00 0.00 C ATOM 1454 OG SER A 94 -1.311 10.793 -6.825 1.00 0.00 O ATOM 0 H SER A 94 2.112 13.205 -8.172 1.00 0.00 H new ATOM 0 HA SER A 94 -0.266 11.809 -8.840 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.720 10.486 -6.782 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.152 11.860 -5.854 1.00 0.00 H new ATOM 0 HG SER A 94 -1.459 10.208 -6.053 1.00 0.00 H new ATOM 1460 N SER A 95 -0.039 14.252 -6.595 1.00 0.00 N ATOM 1461 CA SER A 95 -0.385 15.644 -6.296 1.00 0.00 C ATOM 1462 C SER A 95 0.615 16.623 -6.923 1.00 0.00 C ATOM 1463 O SER A 95 0.411 17.837 -6.883 1.00 0.00 O ATOM 1464 CB SER A 95 -0.426 15.835 -4.775 1.00 0.00 C ATOM 1465 OG SER A 95 -1.330 14.916 -4.195 1.00 0.00 O ATOM 0 H SER A 95 0.406 13.773 -5.812 1.00 0.00 H new ATOM 0 HA SER A 95 -1.364 15.857 -6.726 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.570 15.692 -4.356 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.729 16.855 -4.537 1.00 0.00 H new ATOM 0 HG SER A 95 -1.348 15.044 -3.224 1.00 0.00 H new ATOM 1471 N GLY A 96 1.700 16.108 -7.487 1.00 0.00 N ATOM 1472 CA GLY A 96 2.724 16.821 -8.208 1.00 0.00 C ATOM 1473 C GLY A 96 3.404 15.775 -9.045 1.00 0.00 C ATOM 1474 O GLY A 96 4.640 15.653 -8.969 1.00 0.00 O ATOM 0 H GLY A 96 1.893 15.107 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.295 17.607 -8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.427 17.300 -7.526 1.00 0.00 H new TER 1478 GLY A 96