USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 688 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.82) USER MOD Single : A 6 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.041) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -49:sc= 1.14 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.27! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0404 X(o=-0.04,f=-0.48) USER MOD Single : A 37 SER OG : rot 140:sc= 1.25 USER MOD Single : A 39 CYS SG : rot 179:sc= -0.421 USER MOD Single : A 42 GLN : amide:sc= -2.52 K(o=-2.5,f=-7.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.0603 (180deg=-0.846) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 52 SER OG : rot -177:sc= 0.634 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 135:sc= -0.557 (180deg=-2.12!) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= -0.0192 (180deg=-0.168) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -140:sc= 0.678 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -2.1! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.935 -8.847 -5.194 1.00 5.02 N ATOM 2 CA MET A 1 18.035 -9.975 -5.550 1.00 4.66 C ATOM 3 C MET A 1 16.983 -9.541 -6.564 1.00 4.42 C ATOM 4 O MET A 1 16.987 -9.992 -7.710 1.00 4.63 O ATOM 5 CB MET A 1 17.358 -10.478 -4.273 1.00 4.39 C ATOM 6 CG MET A 1 17.694 -11.920 -3.931 1.00 4.63 C ATOM 7 SD MET A 1 19.349 -12.102 -3.239 1.00 5.44 S ATOM 8 CE MET A 1 19.053 -13.335 -1.973 1.00 5.68 C ATOM 0 H1 MET A 1 19.641 -9.171 -4.502 1.00 5.02 H new ATOM 0 H2 MET A 1 19.419 -8.506 -6.049 1.00 5.02 H new ATOM 0 H3 MET A 1 18.376 -8.074 -4.781 1.00 5.02 H new ATOM 0 HA MET A 1 18.623 -10.772 -6.006 1.00 4.66 H new ATOM 0 HB2 MET A 1 17.652 -9.839 -3.441 1.00 4.39 H new ATOM 0 HB3 MET A 1 16.278 -10.382 -4.383 1.00 4.39 H new ATOM 0 HG2 MET A 1 16.962 -12.300 -3.218 1.00 4.63 H new ATOM 0 HG3 MET A 1 17.611 -12.531 -4.830 1.00 4.63 H new ATOM 0 HE1 MET A 1 19.986 -13.555 -1.454 1.00 5.68 H new ATOM 0 HE2 MET A 1 18.322 -12.956 -1.259 1.00 5.68 H new ATOM 0 HE3 MET A 1 18.671 -14.246 -2.434 1.00 5.68 H new ATOM 20 N GLY A 2 16.084 -8.663 -6.135 1.00 4.11 N ATOM 21 CA GLY A 2 15.037 -8.181 -7.016 1.00 4.01 C ATOM 22 C GLY A 2 13.641 -8.493 -6.503 1.00 3.33 C ATOM 23 O GLY A 2 12.654 -8.246 -7.196 1.00 3.34 O ATOM 0 H GLY A 2 16.061 -8.276 -5.192 1.00 4.11 H new ATOM 0 HA2 GLY A 2 15.141 -7.103 -7.139 1.00 4.01 H new ATOM 0 HA3 GLY A 2 15.164 -8.628 -8.002 1.00 4.01 H new ATOM 27 N GLN A 3 13.551 -9.030 -5.288 1.00 2.87 N ATOM 28 CA GLN A 3 12.259 -9.362 -4.698 1.00 2.29 C ATOM 29 C GLN A 3 11.613 -8.121 -4.098 1.00 1.97 C ATOM 30 O GLN A 3 12.304 -7.233 -3.603 1.00 2.17 O ATOM 31 CB GLN A 3 12.421 -10.433 -3.621 1.00 2.41 C ATOM 32 CG GLN A 3 13.470 -11.481 -3.957 1.00 3.17 C ATOM 33 CD GLN A 3 13.123 -12.852 -3.410 1.00 3.60 C ATOM 34 OE1 GLN A 3 11.965 -13.269 -3.433 1.00 3.44 O ATOM 35 NE2 GLN A 3 14.130 -13.564 -2.917 1.00 4.47 N ATOM 0 H GLN A 3 14.354 -9.243 -4.696 1.00 2.87 H new ATOM 0 HA GLN A 3 11.615 -9.750 -5.487 1.00 2.29 H new ATOM 0 HB2 GLN A 3 12.688 -9.952 -2.680 1.00 2.41 H new ATOM 0 HB3 GLN A 3 11.462 -10.928 -3.465 1.00 2.41 H new ATOM 0 HG2 GLN A 3 13.581 -11.544 -5.039 1.00 3.17 H new ATOM 0 HG3 GLN A 3 14.433 -11.167 -3.555 1.00 3.17 H new ATOM 0 HE21 GLN A 3 15.075 -13.180 -2.918 1.00 4.47 H new ATOM 0 HE22 GLN A 3 13.959 -14.495 -2.538 1.00 4.47 H new ATOM 44 N VAL A 4 10.287 -8.063 -4.148 1.00 1.57 N ATOM 45 CA VAL A 4 9.557 -6.922 -3.612 1.00 1.29 C ATOM 46 C VAL A 4 8.367 -7.359 -2.767 1.00 1.28 C ATOM 47 O VAL A 4 7.705 -8.353 -3.066 1.00 1.44 O ATOM 48 CB VAL A 4 9.042 -5.995 -4.735 1.00 1.17 C ATOM 49 CG1 VAL A 4 10.198 -5.426 -5.543 1.00 1.39 C ATOM 50 CG2 VAL A 4 8.065 -6.737 -5.633 1.00 1.57 C ATOM 0 H VAL A 4 9.698 -8.791 -4.553 1.00 1.57 H new ATOM 0 HA VAL A 4 10.266 -6.379 -2.987 1.00 1.29 H new ATOM 0 HB VAL A 4 8.515 -5.160 -4.273 1.00 1.17 H new ATOM 0 HG11 VAL A 4 9.809 -4.777 -6.327 1.00 1.39 H new ATOM 0 HG12 VAL A 4 10.852 -4.851 -4.887 1.00 1.39 H new ATOM 0 HG13 VAL A 4 10.763 -6.242 -5.994 1.00 1.39 H new ATOM 0 HG21 VAL A 4 7.713 -6.068 -6.418 1.00 1.57 H new ATOM 0 HG22 VAL A 4 8.564 -7.595 -6.084 1.00 1.57 H new ATOM 0 HG23 VAL A 4 7.216 -7.081 -5.042 1.00 1.57 H new ATOM 60 N VAL A 5 8.082 -6.579 -1.733 1.00 1.14 N ATOM 61 CA VAL A 5 6.951 -6.839 -0.858 1.00 1.22 C ATOM 62 C VAL A 5 5.790 -5.971 -1.309 1.00 1.03 C ATOM 63 O VAL A 5 5.969 -4.788 -1.600 1.00 0.92 O ATOM 64 CB VAL A 5 7.277 -6.528 0.616 1.00 1.29 C ATOM 65 CG1 VAL A 5 8.436 -7.384 1.102 1.00 1.79 C ATOM 66 CG2 VAL A 5 7.583 -5.047 0.795 1.00 1.70 C ATOM 0 H VAL A 5 8.625 -5.754 -1.480 1.00 1.14 H new ATOM 0 HA VAL A 5 6.701 -7.898 -0.922 1.00 1.22 H new ATOM 0 HB VAL A 5 6.402 -6.770 1.220 1.00 1.29 H new ATOM 0 HG11 VAL A 5 8.650 -7.149 2.145 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.172 -8.438 1.015 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.318 -7.180 0.496 1.00 1.79 H new ATOM 0 HG21 VAL A 5 7.811 -4.846 1.842 1.00 1.70 H new ATOM 0 HG22 VAL A 5 8.440 -4.775 0.179 1.00 1.70 H new ATOM 0 HG23 VAL A 5 6.717 -4.457 0.493 1.00 1.70 H new ATOM 76 N GLN A 6 4.615 -6.564 -1.422 1.00 1.03 N ATOM 77 CA GLN A 6 3.458 -5.829 -1.903 1.00 0.85 C ATOM 78 C GLN A 6 2.433 -5.541 -0.814 1.00 0.83 C ATOM 79 O GLN A 6 2.218 -6.344 0.092 1.00 0.94 O ATOM 80 CB GLN A 6 2.799 -6.599 -3.044 1.00 0.83 C ATOM 81 CG GLN A 6 3.700 -6.775 -4.253 1.00 1.45 C ATOM 82 CD GLN A 6 4.091 -8.221 -4.483 1.00 1.81 C ATOM 83 OE1 GLN A 6 3.519 -8.904 -5.334 1.00 2.26 O ATOM 84 NE2 GLN A 6 5.070 -8.697 -3.723 1.00 2.01 N ATOM 0 H GLN A 6 4.437 -7.541 -1.190 1.00 1.03 H new ATOM 0 HA GLN A 6 3.821 -4.863 -2.254 1.00 0.85 H new ATOM 0 HB2 GLN A 6 2.494 -7.581 -2.681 1.00 0.83 H new ATOM 0 HB3 GLN A 6 1.892 -6.076 -3.349 1.00 0.83 H new ATOM 0 HG2 GLN A 6 3.191 -6.395 -5.139 1.00 1.45 H new ATOM 0 HG3 GLN A 6 4.601 -6.176 -4.121 1.00 1.45 H new ATOM 0 HE21 GLN A 6 5.516 -8.096 -3.030 1.00 2.01 H new ATOM 0 HE22 GLN A 6 5.376 -9.664 -3.832 1.00 2.01 H new ATOM 93 N PHE A 7 1.780 -4.389 -0.943 1.00 0.74 N ATOM 94 CA PHE A 7 0.745 -3.977 -0.012 1.00 0.78 C ATOM 95 C PHE A 7 -0.608 -4.323 -0.623 1.00 0.62 C ATOM 96 O PHE A 7 -0.969 -3.814 -1.688 1.00 0.55 O ATOM 97 CB PHE A 7 0.859 -2.472 0.277 1.00 0.86 C ATOM 98 CG PHE A 7 -0.397 -1.851 0.822 1.00 0.97 C ATOM 99 CD1 PHE A 7 -1.040 -2.401 1.918 1.00 1.14 C ATOM 100 CD2 PHE A 7 -0.935 -0.721 0.230 1.00 0.98 C ATOM 101 CE1 PHE A 7 -2.196 -1.834 2.415 1.00 1.29 C ATOM 102 CE2 PHE A 7 -2.091 -0.150 0.721 1.00 1.17 C ATOM 103 CZ PHE A 7 -2.724 -0.706 1.816 1.00 1.29 C ATOM 0 H PHE A 7 1.956 -3.721 -1.694 1.00 0.74 H new ATOM 0 HA PHE A 7 0.857 -4.499 0.939 1.00 0.78 H new ATOM 0 HB2 PHE A 7 1.669 -2.311 0.989 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.136 -1.957 -0.643 1.00 0.86 H new ATOM 0 HD1 PHE A 7 -0.633 -3.283 2.389 1.00 1.14 H new ATOM 0 HD2 PHE A 7 -0.444 -0.282 -0.626 1.00 0.98 H new ATOM 0 HE1 PHE A 7 -2.688 -2.271 3.271 1.00 1.29 H new ATOM 0 HE2 PHE A 7 -2.501 0.731 0.250 1.00 1.17 H new ATOM 0 HZ PHE A 7 -3.629 -0.260 2.203 1.00 1.29 H new ATOM 113 N LYS A 8 -1.326 -5.228 0.031 1.00 0.60 N ATOM 114 CA LYS A 8 -2.613 -5.690 -0.468 1.00 0.54 C ATOM 115 C LYS A 8 -3.773 -5.267 0.430 1.00 0.68 C ATOM 116 O LYS A 8 -3.793 -5.567 1.623 1.00 0.77 O ATOM 117 CB LYS A 8 -2.577 -7.217 -0.585 1.00 0.61 C ATOM 118 CG LYS A 8 -3.897 -7.848 -0.998 1.00 1.40 C ATOM 119 CD LYS A 8 -4.105 -9.195 -0.319 1.00 2.22 C ATOM 120 CE LYS A 8 -2.895 -10.106 -0.487 1.00 1.88 C ATOM 121 NZ LYS A 8 -3.084 -11.413 0.201 1.00 2.42 N ATOM 0 H LYS A 8 -1.037 -5.657 0.910 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.782 -5.231 -1.442 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -1.813 -7.495 -1.311 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -2.273 -7.635 0.375 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -4.718 -7.179 -0.741 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.918 -7.977 -2.080 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -4.299 -9.041 0.742 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -4.987 -9.681 -0.737 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -2.714 -10.277 -1.548 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -2.010 -9.611 -0.089 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -2.239 -12.003 0.063 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -3.231 -11.252 1.218 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -3.914 -11.898 -0.196 1.00 2.42 H new ATOM 135 N LEU A 9 -4.759 -4.600 -0.169 1.00 0.86 N ATOM 136 CA LEU A 9 -5.950 -4.172 0.558 1.00 1.06 C ATOM 137 C LEU A 9 -6.582 -5.399 1.212 1.00 1.74 C ATOM 138 O LEU A 9 -7.034 -6.305 0.519 1.00 2.24 O ATOM 139 CB LEU A 9 -6.928 -3.503 -0.429 1.00 1.28 C ATOM 140 CG LEU A 9 -8.118 -2.731 0.170 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.801 -3.534 1.264 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.678 -1.374 0.697 1.00 1.96 C ATOM 0 H LEU A 9 -4.755 -4.345 -1.157 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.697 -3.448 1.333 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.359 -2.814 -1.053 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.324 -4.276 -1.087 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.841 -2.569 -0.630 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.637 -2.962 1.667 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -9.169 -4.473 0.850 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -8.087 -3.744 2.061 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.538 -0.850 1.114 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.925 -1.512 1.473 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.256 -0.787 -0.118 1.00 1.96 H new ATOM 154 N SER A 10 -6.591 -5.446 2.541 1.00 2.11 N ATOM 155 CA SER A 10 -7.153 -6.598 3.246 1.00 2.83 C ATOM 156 C SER A 10 -7.918 -6.186 4.501 1.00 2.93 C ATOM 157 O SER A 10 -8.220 -7.022 5.353 1.00 3.26 O ATOM 158 CB SER A 10 -6.039 -7.579 3.617 1.00 3.76 C ATOM 159 OG SER A 10 -6.559 -8.719 4.278 1.00 4.49 O ATOM 0 H SER A 10 -6.222 -4.712 3.146 1.00 2.11 H new ATOM 0 HA SER A 10 -7.861 -7.080 2.571 1.00 2.83 H new ATOM 0 HB2 SER A 10 -5.508 -7.888 2.716 1.00 3.76 H new ATOM 0 HB3 SER A 10 -5.313 -7.082 4.260 1.00 3.76 H new ATOM 0 HG SER A 10 -7.154 -8.434 5.003 1.00 4.49 H new ATOM 165 N ASP A 11 -8.239 -4.903 4.610 1.00 3.22 N ATOM 166 CA ASP A 11 -8.977 -4.399 5.760 1.00 3.68 C ATOM 167 C ASP A 11 -10.485 -4.500 5.532 1.00 3.44 C ATOM 168 O ASP A 11 -11.270 -4.421 6.477 1.00 4.01 O ATOM 169 CB ASP A 11 -8.590 -2.946 6.039 1.00 4.18 C ATOM 170 CG ASP A 11 -8.592 -2.617 7.519 1.00 4.90 C ATOM 171 OD1 ASP A 11 -7.892 -3.314 8.283 1.00 5.41 O ATOM 172 OD2 ASP A 11 -9.293 -1.662 7.915 1.00 5.24 O ATOM 0 H ASP A 11 -8.000 -4.194 3.917 1.00 3.22 H new ATOM 0 HA ASP A 11 -8.718 -5.013 6.623 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -7.599 -2.752 5.629 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -9.284 -2.283 5.522 1.00 4.18 H new ATOM 177 N ILE A 12 -10.884 -4.663 4.273 1.00 2.82 N ATOM 178 CA ILE A 12 -12.295 -4.760 3.923 1.00 2.70 C ATOM 179 C ILE A 12 -12.769 -6.218 3.897 1.00 2.96 C ATOM 180 O ILE A 12 -11.966 -7.148 3.834 1.00 3.29 O ATOM 181 CB ILE A 12 -12.558 -4.059 2.560 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.635 -2.550 2.775 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.839 -4.549 1.895 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.723 -1.757 1.869 1.00 1.97 C ATOM 0 H ILE A 12 -10.248 -4.731 3.479 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.873 -4.249 4.693 1.00 2.70 H new ATOM 0 HB ILE A 12 -11.731 -4.307 1.894 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -13.663 -2.222 2.618 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -12.385 -2.327 3.812 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -13.978 -4.030 0.947 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -13.768 -5.622 1.714 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -14.688 -4.347 2.548 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -11.834 -0.694 2.081 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -10.689 -2.055 2.042 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -11.987 -1.949 0.829 1.00 1.97 H new ATOM 196 N GLY A 13 -14.089 -6.392 3.950 1.00 3.15 N ATOM 197 CA GLY A 13 -14.681 -7.718 3.936 1.00 3.67 C ATOM 198 C GLY A 13 -14.616 -8.381 2.573 1.00 3.84 C ATOM 199 O GLY A 13 -14.232 -7.755 1.585 1.00 3.63 O ATOM 0 H GLY A 13 -14.763 -5.629 4.003 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -14.169 -8.346 4.665 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -15.722 -7.649 4.251 1.00 3.67 H new ATOM 203 N GLU A 14 -14.984 -9.658 2.526 1.00 4.49 N ATOM 204 CA GLU A 14 -14.959 -10.424 1.284 1.00 4.81 C ATOM 205 C GLU A 14 -16.003 -9.923 0.286 1.00 4.15 C ATOM 206 O GLU A 14 -15.808 -10.024 -0.925 1.00 4.04 O ATOM 207 CB GLU A 14 -15.193 -11.907 1.576 1.00 5.76 C ATOM 208 CG GLU A 14 -14.562 -12.835 0.551 1.00 6.16 C ATOM 209 CD GLU A 14 -13.974 -14.085 1.178 1.00 7.04 C ATOM 210 OE1 GLU A 14 -14.473 -14.506 2.242 1.00 7.20 O ATOM 211 OE2 GLU A 14 -13.015 -14.642 0.604 1.00 7.72 O ATOM 0 H GLU A 14 -15.304 -10.186 3.338 1.00 4.49 H new ATOM 0 HA GLU A 14 -13.975 -10.289 0.835 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -14.793 -12.142 2.562 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -16.266 -12.097 1.614 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -15.313 -13.121 -0.185 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -13.779 -12.299 0.015 1.00 6.16 H new ATOM 218 N GLY A 15 -17.115 -9.394 0.792 1.00 3.81 N ATOM 219 CA GLY A 15 -18.160 -8.906 -0.092 1.00 3.32 C ATOM 220 C GLY A 15 -18.884 -7.686 0.448 1.00 2.93 C ATOM 221 O GLY A 15 -20.104 -7.705 0.613 1.00 3.13 O ATOM 0 H GLY A 15 -17.310 -9.295 1.788 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -17.722 -8.661 -1.060 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -18.884 -9.703 -0.262 1.00 3.32 H new ATOM 225 N ILE A 16 -18.136 -6.622 0.720 1.00 2.53 N ATOM 226 CA ILE A 16 -18.717 -5.392 1.237 1.00 2.22 C ATOM 227 C ILE A 16 -18.166 -4.173 0.487 1.00 1.91 C ATOM 228 O ILE A 16 -17.730 -4.289 -0.658 1.00 1.88 O ATOM 229 CB ILE A 16 -18.451 -5.260 2.752 1.00 2.22 C ATOM 230 CG1 ILE A 16 -16.977 -4.946 3.029 1.00 2.32 C ATOM 231 CG2 ILE A 16 -18.863 -6.535 3.470 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.775 -3.898 4.101 1.00 2.22 C ATOM 0 H ILE A 16 -17.125 -6.588 0.590 1.00 2.53 H new ATOM 0 HA ILE A 16 -19.795 -5.433 1.078 1.00 2.22 H new ATOM 0 HB ILE A 16 -19.049 -4.431 3.130 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -16.468 -5.863 3.328 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -16.506 -4.606 2.106 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -18.671 -6.430 4.538 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -19.926 -6.716 3.309 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -18.289 -7.375 3.079 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.708 -3.726 4.245 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -17.255 -2.968 3.796 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -17.216 -4.244 5.036 1.00 2.22 H new ATOM 244 N ARG A 17 -18.173 -3.009 1.138 1.00 1.82 N ATOM 245 CA ARG A 17 -17.659 -1.789 0.527 1.00 1.64 C ATOM 246 C ARG A 17 -16.131 -1.797 0.517 1.00 1.22 C ATOM 247 O ARG A 17 -15.500 -2.299 1.445 1.00 1.14 O ATOM 248 CB ARG A 17 -18.169 -0.564 1.291 1.00 1.77 C ATOM 249 CG ARG A 17 -18.430 0.644 0.406 1.00 2.27 C ATOM 250 CD ARG A 17 -17.605 1.843 0.843 1.00 2.75 C ATOM 251 NE ARG A 17 -17.470 2.832 -0.222 1.00 3.16 N ATOM 252 CZ ARG A 17 -18.403 3.733 -0.515 1.00 3.76 C ATOM 253 NH1 ARG A 17 -19.531 3.772 0.181 1.00 4.04 N ATOM 254 NH2 ARG A 17 -18.208 4.596 -1.502 1.00 4.40 N ATOM 0 H ARG A 17 -18.529 -2.888 2.086 1.00 1.82 H new ATOM 0 HA ARG A 17 -18.014 -1.742 -0.502 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -19.090 -0.828 1.810 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.439 -0.293 2.054 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -18.194 0.396 -0.629 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -19.489 0.898 0.439 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -18.072 2.307 1.712 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -16.615 1.508 1.154 1.00 2.75 H new ATOM 0 HE ARG A 17 -16.611 2.832 -0.773 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -19.684 3.110 0.942 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -20.246 4.464 -0.045 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -17.341 4.570 -2.039 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -18.925 5.286 -1.725 1.00 4.40 H new ATOM 268 N GLU A 18 -15.544 -1.239 -0.537 1.00 1.16 N ATOM 269 CA GLU A 18 -14.090 -1.185 -0.666 1.00 0.91 C ATOM 270 C GLU A 18 -13.571 0.188 -0.242 1.00 0.63 C ATOM 271 O GLU A 18 -14.364 1.071 0.084 1.00 0.66 O ATOM 272 CB GLU A 18 -13.678 -1.529 -2.096 1.00 1.29 C ATOM 273 CG GLU A 18 -14.078 -2.939 -2.506 1.00 1.64 C ATOM 274 CD GLU A 18 -13.414 -4.012 -1.663 1.00 1.83 C ATOM 275 OE1 GLU A 18 -12.651 -3.658 -0.740 1.00 2.17 O ATOM 276 OE2 GLU A 18 -13.658 -5.207 -1.927 1.00 2.11 O ATOM 0 H GLU A 18 -16.052 -0.818 -1.315 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.641 -1.925 -0.003 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -14.133 -0.814 -2.782 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.598 -1.421 -2.193 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -15.160 -3.041 -2.428 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.818 -3.095 -3.553 1.00 1.64 H new ATOM 283 N VAL A 19 -12.246 0.369 -0.193 1.00 0.63 N ATOM 284 CA VAL A 19 -11.705 1.656 0.265 1.00 0.57 C ATOM 285 C VAL A 19 -10.782 2.332 -0.743 1.00 0.41 C ATOM 286 O VAL A 19 -10.067 1.677 -1.501 1.00 0.47 O ATOM 287 CB VAL A 19 -10.954 1.511 1.603 1.00 0.93 C ATOM 288 CG1 VAL A 19 -9.714 0.651 1.432 1.00 1.51 C ATOM 289 CG2 VAL A 19 -10.588 2.878 2.159 1.00 1.16 C ATOM 0 H VAL A 19 -11.550 -0.330 -0.454 1.00 0.63 H new ATOM 0 HA VAL A 19 -12.581 2.293 0.391 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.614 1.016 2.316 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.199 0.561 2.388 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -10.004 -0.340 1.082 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.048 1.113 0.703 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.058 2.757 3.104 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -9.947 3.400 1.448 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -11.496 3.459 2.324 1.00 1.16 H new ATOM 299 N THR A 20 -10.810 3.666 -0.725 1.00 0.37 N ATOM 300 CA THR A 20 -9.993 4.482 -1.616 1.00 0.30 C ATOM 301 C THR A 20 -8.744 4.989 -0.909 1.00 0.33 C ATOM 302 O THR A 20 -8.681 5.018 0.320 1.00 0.65 O ATOM 303 CB THR A 20 -10.772 5.715 -2.118 1.00 0.43 C ATOM 304 OG1 THR A 20 -12.183 5.497 -1.999 1.00 0.69 O ATOM 305 CG2 THR A 20 -10.412 6.041 -3.562 1.00 0.54 C ATOM 0 H THR A 20 -11.399 4.207 -0.093 1.00 0.37 H new ATOM 0 HA THR A 20 -9.719 3.841 -2.454 1.00 0.30 H new ATOM 0 HB THR A 20 -10.491 6.565 -1.496 1.00 0.43 H new ATOM 0 HG1 THR A 20 -12.664 6.288 -2.320 1.00 0.69 H new ATOM 0 HG21 THR A 20 -10.976 6.914 -3.889 1.00 0.54 H new ATOM 0 HG22 THR A 20 -9.345 6.251 -3.632 1.00 0.54 H new ATOM 0 HG23 THR A 20 -10.657 5.191 -4.199 1.00 0.54 H new ATOM 313 N VAL A 21 -7.764 5.413 -1.695 1.00 0.28 N ATOM 314 CA VAL A 21 -6.528 5.950 -1.141 1.00 0.25 C ATOM 315 C VAL A 21 -6.726 7.407 -0.728 1.00 0.29 C ATOM 316 O VAL A 21 -6.966 8.273 -1.569 1.00 0.33 O ATOM 317 CB VAL A 21 -5.365 5.861 -2.148 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.094 6.442 -1.548 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.148 4.421 -2.585 1.00 1.21 C ATOM 0 H VAL A 21 -7.800 5.396 -2.714 1.00 0.28 H new ATOM 0 HA VAL A 21 -6.273 5.347 -0.269 1.00 0.25 H new ATOM 0 HB VAL A 21 -5.624 6.449 -3.029 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -3.284 6.371 -2.273 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -4.259 7.488 -1.290 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -3.828 5.884 -0.650 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -4.323 4.377 -3.296 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -4.910 3.809 -1.715 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.055 4.044 -3.058 1.00 1.21 H new ATOM 329 N LYS A 22 -6.640 7.671 0.571 1.00 0.36 N ATOM 330 CA LYS A 22 -6.826 9.023 1.088 1.00 0.46 C ATOM 331 C LYS A 22 -5.569 9.873 0.919 1.00 0.52 C ATOM 332 O LYS A 22 -5.655 11.091 0.766 1.00 0.66 O ATOM 333 CB LYS A 22 -7.228 8.982 2.562 1.00 0.52 C ATOM 334 CG LYS A 22 -7.595 10.345 3.126 1.00 0.78 C ATOM 335 CD LYS A 22 -8.693 10.240 4.170 1.00 1.48 C ATOM 336 CE LYS A 22 -9.711 11.360 4.023 1.00 2.16 C ATOM 337 NZ LYS A 22 -11.043 10.974 4.565 1.00 2.95 N ATOM 0 H LYS A 22 -6.443 6.969 1.284 1.00 0.36 H new ATOM 0 HA LYS A 22 -7.625 9.484 0.508 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.076 8.308 2.681 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -6.406 8.566 3.144 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -6.712 10.805 3.570 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -7.922 10.998 2.317 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -9.194 9.277 4.077 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -8.253 10.275 5.167 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -9.351 12.248 4.542 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -9.810 11.625 2.970 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -11.709 11.764 4.446 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -11.398 10.142 4.053 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -10.954 10.746 5.576 1.00 2.95 H new ATOM 351 N GLU A 23 -4.402 9.235 0.952 1.00 0.46 N ATOM 352 CA GLU A 23 -3.143 9.959 0.806 1.00 0.56 C ATOM 353 C GLU A 23 -2.142 9.186 -0.048 1.00 0.42 C ATOM 354 O GLU A 23 -2.063 7.960 0.022 1.00 0.42 O ATOM 355 CB GLU A 23 -2.535 10.250 2.179 1.00 0.73 C ATOM 356 CG GLU A 23 -1.993 11.664 2.317 1.00 1.09 C ATOM 357 CD GLU A 23 -0.479 11.706 2.388 1.00 1.33 C ATOM 358 OE1 GLU A 23 0.171 11.468 1.348 1.00 1.63 O ATOM 359 OE2 GLU A 23 0.056 11.978 3.483 1.00 2.13 O ATOM 0 H GLU A 23 -4.302 8.228 1.077 1.00 0.46 H new ATOM 0 HA GLU A 23 -3.364 10.898 0.299 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -3.292 10.084 2.945 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -1.729 9.541 2.368 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -2.330 12.262 1.470 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -2.408 12.122 3.215 1.00 1.09 H new ATOM 366 N TRP A 24 -1.370 9.921 -0.842 1.00 0.35 N ATOM 367 CA TRP A 24 -0.356 9.324 -1.705 1.00 0.26 C ATOM 368 C TRP A 24 0.913 10.169 -1.673 1.00 0.24 C ATOM 369 O TRP A 24 0.909 11.324 -2.099 1.00 0.33 O ATOM 370 CB TRP A 24 -0.884 9.205 -3.138 1.00 0.37 C ATOM 371 CG TRP A 24 -1.433 7.849 -3.451 1.00 0.43 C ATOM 372 CD1 TRP A 24 -2.622 7.567 -4.053 1.00 0.75 C ATOM 373 CD2 TRP A 24 -0.815 6.590 -3.176 1.00 0.36 C ATOM 374 NE1 TRP A 24 -2.787 6.208 -4.163 1.00 0.74 N ATOM 375 CE2 TRP A 24 -1.690 5.586 -3.634 1.00 0.47 C ATOM 376 CE3 TRP A 24 0.392 6.214 -2.587 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -1.394 4.231 -3.518 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.686 4.870 -2.475 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.204 3.892 -2.938 1.00 0.70 C ATOM 0 H TRP A 24 -1.428 10.937 -0.906 1.00 0.35 H new ATOM 0 HA TRP A 24 -0.122 8.324 -1.340 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -1.663 9.951 -3.295 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.079 9.434 -3.836 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -3.332 8.305 -4.394 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -3.595 5.739 -4.572 1.00 0.74 H new ATOM 0 HE3 TRP A 24 1.084 6.960 -2.225 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.079 3.476 -3.873 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.619 4.567 -2.022 1.00 0.83 H new ATOM 0 HH2 TRP A 24 0.056 2.849 -2.834 1.00 0.70 H new ATOM 390 N TYR A 25 1.994 9.599 -1.147 1.00 0.20 N ATOM 391 CA TYR A 25 3.256 10.327 -1.045 1.00 0.31 C ATOM 392 C TYR A 25 4.338 9.740 -1.953 1.00 0.27 C ATOM 393 O TYR A 25 5.419 10.314 -2.082 1.00 0.36 O ATOM 394 CB TYR A 25 3.742 10.333 0.406 1.00 0.42 C ATOM 395 CG TYR A 25 4.172 11.699 0.896 1.00 0.70 C ATOM 396 CD1 TYR A 25 3.447 12.838 0.566 1.00 1.16 C ATOM 397 CD2 TYR A 25 5.303 11.849 1.689 1.00 1.07 C ATOM 398 CE1 TYR A 25 3.839 14.087 1.011 1.00 1.44 C ATOM 399 CE2 TYR A 25 5.700 13.094 2.138 1.00 1.34 C ATOM 400 CZ TYR A 25 4.965 14.209 1.797 1.00 1.36 C ATOM 401 OH TYR A 25 5.359 15.451 2.241 1.00 1.72 O ATOM 0 H TYR A 25 2.023 8.645 -0.788 1.00 0.20 H new ATOM 0 HA TYR A 25 3.069 11.348 -1.376 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.945 9.960 1.049 1.00 0.42 H new ATOM 0 HB3 TYR A 25 4.579 9.642 0.503 1.00 0.42 H new ATOM 0 HD1 TYR A 25 2.563 12.746 -0.048 1.00 1.16 H new ATOM 0 HD2 TYR A 25 5.882 10.978 1.959 1.00 1.07 H new ATOM 0 HE1 TYR A 25 3.266 14.963 0.744 1.00 1.44 H new ATOM 0 HE2 TYR A 25 6.582 13.193 2.753 1.00 1.34 H new ATOM 0 HH TYR A 25 6.170 15.362 2.784 1.00 1.72 H new ATOM 411 N VAL A 26 4.055 8.599 -2.575 1.00 0.22 N ATOM 412 CA VAL A 26 5.026 7.960 -3.456 1.00 0.22 C ATOM 413 C VAL A 26 4.407 7.601 -4.806 1.00 0.22 C ATOM 414 O VAL A 26 3.187 7.487 -4.929 1.00 0.31 O ATOM 415 CB VAL A 26 5.605 6.692 -2.804 1.00 0.28 C ATOM 416 CG1 VAL A 26 6.342 7.045 -1.523 1.00 0.50 C ATOM 417 CG2 VAL A 26 4.502 5.686 -2.529 1.00 0.40 C ATOM 0 H VAL A 26 3.169 8.102 -2.486 1.00 0.22 H new ATOM 0 HA VAL A 26 5.829 8.678 -3.623 1.00 0.22 H new ATOM 0 HB VAL A 26 6.316 6.239 -3.495 1.00 0.28 H new ATOM 0 HG11 VAL A 26 6.746 6.138 -1.074 1.00 0.50 H new ATOM 0 HG12 VAL A 26 7.158 7.732 -1.750 1.00 0.50 H new ATOM 0 HG13 VAL A 26 5.652 7.519 -0.825 1.00 0.50 H new ATOM 0 HG21 VAL A 26 4.929 4.795 -2.068 1.00 0.40 H new ATOM 0 HG22 VAL A 26 3.767 6.127 -1.855 1.00 0.40 H new ATOM 0 HG23 VAL A 26 4.017 5.413 -3.466 1.00 0.40 H new ATOM 427 N LYS A 27 5.257 7.432 -5.817 1.00 0.24 N ATOM 428 CA LYS A 27 4.793 7.096 -7.161 1.00 0.26 C ATOM 429 C LYS A 27 5.540 5.888 -7.723 1.00 0.29 C ATOM 430 O LYS A 27 6.559 5.463 -7.178 1.00 0.42 O ATOM 431 CB LYS A 27 4.970 8.294 -8.097 1.00 0.38 C ATOM 432 CG LYS A 27 3.670 8.784 -8.712 1.00 0.61 C ATOM 433 CD LYS A 27 3.895 10.002 -9.593 1.00 0.99 C ATOM 434 CE LYS A 27 2.584 10.691 -9.936 1.00 1.52 C ATOM 435 NZ LYS A 27 2.553 11.159 -11.349 1.00 1.89 N ATOM 0 H LYS A 27 6.269 7.522 -5.731 1.00 0.24 H new ATOM 0 HA LYS A 27 3.735 6.842 -7.093 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.431 9.112 -7.543 1.00 0.38 H new ATOM 0 HB3 LYS A 27 5.660 8.021 -8.896 1.00 0.38 H new ATOM 0 HG2 LYS A 27 3.221 7.985 -9.302 1.00 0.61 H new ATOM 0 HG3 LYS A 27 2.963 9.032 -7.921 1.00 0.61 H new ATOM 0 HD2 LYS A 27 4.554 10.705 -9.083 1.00 0.99 H new ATOM 0 HD3 LYS A 27 4.400 9.700 -10.511 1.00 0.99 H new ATOM 0 HE2 LYS A 27 1.757 10.002 -9.764 1.00 1.52 H new ATOM 0 HE3 LYS A 27 2.436 11.541 -9.269 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 1.642 11.623 -11.541 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 3.327 11.836 -11.508 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 2.669 10.346 -11.987 1.00 1.89 H new ATOM 449 N GLU A 28 5.022 5.345 -8.820 1.00 0.30 N ATOM 450 CA GLU A 28 5.631 4.186 -9.474 1.00 0.34 C ATOM 451 C GLU A 28 7.110 4.434 -9.756 1.00 0.38 C ATOM 452 O GLU A 28 7.492 5.519 -10.196 1.00 0.42 O ATOM 453 CB GLU A 28 4.906 3.865 -10.787 1.00 0.42 C ATOM 454 CG GLU A 28 3.400 4.068 -10.731 1.00 0.35 C ATOM 455 CD GLU A 28 2.667 3.284 -11.801 1.00 1.10 C ATOM 456 OE1 GLU A 28 3.337 2.576 -12.583 1.00 1.23 O ATOM 457 OE2 GLU A 28 1.423 3.379 -11.859 1.00 2.03 O ATOM 0 H GLU A 28 4.178 5.689 -9.278 1.00 0.30 H new ATOM 0 HA GLU A 28 5.539 3.337 -8.797 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.317 4.491 -11.579 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.112 2.830 -11.060 1.00 0.42 H new ATOM 0 HG2 GLU A 28 3.033 3.768 -9.750 1.00 0.35 H new ATOM 0 HG3 GLU A 28 3.175 5.129 -10.845 1.00 0.35 H new ATOM 464 N GLY A 29 7.944 3.426 -9.499 1.00 0.39 N ATOM 465 CA GLY A 29 9.370 3.574 -9.735 1.00 0.45 C ATOM 466 C GLY A 29 10.043 4.483 -8.721 1.00 0.40 C ATOM 467 O GLY A 29 11.232 4.780 -8.841 1.00 0.44 O ATOM 0 H GLY A 29 7.659 2.517 -9.134 1.00 0.39 H new ATOM 0 HA2 GLY A 29 9.842 2.592 -9.706 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.528 3.974 -10.736 1.00 0.45 H new ATOM 471 N ASP A 30 9.279 4.946 -7.733 1.00 0.34 N ATOM 472 CA ASP A 30 9.806 5.847 -6.712 1.00 0.31 C ATOM 473 C ASP A 30 10.187 5.095 -5.444 1.00 0.25 C ATOM 474 O ASP A 30 9.637 4.036 -5.148 1.00 0.24 O ATOM 475 CB ASP A 30 8.772 6.924 -6.378 1.00 0.31 C ATOM 476 CG ASP A 30 9.409 8.274 -6.116 1.00 0.91 C ATOM 477 OD1 ASP A 30 10.514 8.307 -5.536 1.00 1.36 O ATOM 478 OD2 ASP A 30 8.802 9.300 -6.491 1.00 1.27 O ATOM 0 H ASP A 30 8.293 4.711 -7.619 1.00 0.34 H new ATOM 0 HA ASP A 30 10.706 6.313 -7.114 1.00 0.31 H new ATOM 0 HB2 ASP A 30 8.064 7.013 -7.202 1.00 0.31 H new ATOM 0 HB3 ASP A 30 8.202 6.618 -5.501 1.00 0.31 H new ATOM 483 N THR A 31 11.129 5.659 -4.695 1.00 0.23 N ATOM 484 CA THR A 31 11.582 5.049 -3.453 1.00 0.18 C ATOM 485 C THR A 31 10.927 5.713 -2.245 1.00 0.18 C ATOM 486 O THR A 31 10.701 6.923 -2.235 1.00 0.30 O ATOM 487 CB THR A 31 13.112 5.141 -3.307 1.00 0.19 C ATOM 488 OG1 THR A 31 13.748 4.679 -4.505 1.00 0.31 O ATOM 489 CG2 THR A 31 13.591 4.317 -2.120 1.00 0.30 C ATOM 0 H THR A 31 11.593 6.537 -4.928 1.00 0.23 H new ATOM 0 HA THR A 31 11.291 3.999 -3.491 1.00 0.18 H new ATOM 0 HB THR A 31 13.378 6.184 -3.136 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.721 4.742 -4.404 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.675 4.396 -2.036 1.00 0.30 H new ATOM 0 HG22 THR A 31 13.128 4.691 -1.207 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.314 3.273 -2.266 1.00 0.30 H new ATOM 497 N VAL A 32 10.626 4.910 -1.230 1.00 0.14 N ATOM 498 CA VAL A 32 9.999 5.412 -0.011 1.00 0.14 C ATOM 499 C VAL A 32 11.031 5.585 1.095 1.00 0.14 C ATOM 500 O VAL A 32 12.118 5.012 1.034 1.00 0.18 O ATOM 501 CB VAL A 32 8.860 4.493 0.508 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.529 5.214 0.417 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.797 3.166 -0.242 1.00 0.18 C ATOM 0 H VAL A 32 10.806 3.906 -1.227 1.00 0.14 H new ATOM 0 HA VAL A 32 9.561 6.375 -0.275 1.00 0.14 H new ATOM 0 HB VAL A 32 9.078 4.261 1.550 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.736 4.562 0.783 1.00 0.28 H new ATOM 0 HG12 VAL A 32 7.563 6.119 1.023 1.00 0.28 H new ATOM 0 HG13 VAL A 32 7.330 5.480 -0.621 1.00 0.28 H new ATOM 0 HG21 VAL A 32 7.984 2.560 0.159 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.621 3.355 -1.301 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.741 2.634 -0.120 1.00 0.18 H new ATOM 513 N SER A 33 10.681 6.378 2.105 1.00 0.23 N ATOM 514 CA SER A 33 11.575 6.629 3.229 1.00 0.31 C ATOM 515 C SER A 33 10.846 6.451 4.556 1.00 0.33 C ATOM 516 O SER A 33 9.622 6.333 4.591 1.00 0.35 O ATOM 517 CB SER A 33 12.155 8.041 3.139 1.00 0.38 C ATOM 518 OG SER A 33 13.114 8.135 2.100 1.00 1.42 O ATOM 0 H SER A 33 9.783 6.858 2.167 1.00 0.23 H new ATOM 0 HA SER A 33 12.388 5.905 3.183 1.00 0.31 H new ATOM 0 HB2 SER A 33 11.352 8.756 2.962 1.00 0.38 H new ATOM 0 HB3 SER A 33 12.617 8.309 4.089 1.00 0.38 H new ATOM 0 HG SER A 33 13.468 9.048 2.063 1.00 1.42 H new ATOM 524 N GLN A 34 11.605 6.432 5.647 1.00 0.37 N ATOM 525 CA GLN A 34 11.031 6.267 6.979 1.00 0.41 C ATOM 526 C GLN A 34 10.019 7.367 7.281 1.00 0.43 C ATOM 527 O GLN A 34 9.118 7.188 8.100 1.00 0.52 O ATOM 528 CB GLN A 34 12.135 6.272 8.038 1.00 0.44 C ATOM 529 CG GLN A 34 12.573 4.883 8.471 1.00 0.76 C ATOM 530 CD GLN A 34 14.005 4.854 8.973 1.00 1.54 C ATOM 531 OE1 GLN A 34 14.790 3.984 8.595 1.00 2.38 O ATOM 532 NE2 GLN A 34 14.352 5.807 9.830 1.00 1.72 N ATOM 0 H GLN A 34 12.620 6.529 5.635 1.00 0.37 H new ATOM 0 HA GLN A 34 10.514 5.308 7.004 1.00 0.41 H new ATOM 0 HB2 GLN A 34 12.999 6.810 7.647 1.00 0.44 H new ATOM 0 HB3 GLN A 34 11.785 6.822 8.912 1.00 0.44 H new ATOM 0 HG2 GLN A 34 11.909 4.525 9.257 1.00 0.76 H new ATOM 0 HG3 GLN A 34 12.472 4.196 7.631 1.00 0.76 H new ATOM 0 HE21 GLN A 34 13.669 6.509 10.117 1.00 1.72 H new ATOM 0 HE22 GLN A 34 15.301 5.838 10.202 1.00 1.72 H new ATOM 541 N PHE A 35 10.177 8.506 6.617 1.00 0.43 N ATOM 542 CA PHE A 35 9.281 9.638 6.818 1.00 0.48 C ATOM 543 C PHE A 35 8.277 9.765 5.673 1.00 0.43 C ATOM 544 O PHE A 35 7.263 10.450 5.803 1.00 0.47 O ATOM 545 CB PHE A 35 10.086 10.932 6.940 1.00 0.58 C ATOM 546 CG PHE A 35 10.993 10.971 8.136 1.00 0.99 C ATOM 547 CD1 PHE A 35 10.471 11.000 9.420 1.00 1.86 C ATOM 548 CD2 PHE A 35 12.369 10.981 7.976 1.00 1.12 C ATOM 549 CE1 PHE A 35 11.306 11.037 10.521 1.00 2.52 C ATOM 550 CE2 PHE A 35 13.208 11.018 9.072 1.00 1.64 C ATOM 551 CZ PHE A 35 12.676 11.046 10.347 1.00 2.31 C ATOM 0 H PHE A 35 10.917 8.670 5.935 1.00 0.43 H new ATOM 0 HA PHE A 35 8.728 9.463 7.741 1.00 0.48 H new ATOM 0 HB2 PHE A 35 10.684 11.063 6.038 1.00 0.58 H new ATOM 0 HB3 PHE A 35 9.396 11.775 6.991 1.00 0.58 H new ATOM 0 HD1 PHE A 35 9.400 10.994 9.562 1.00 1.86 H new ATOM 0 HD2 PHE A 35 12.791 10.960 6.982 1.00 1.12 H new ATOM 0 HE1 PHE A 35 10.887 11.059 11.516 1.00 2.52 H new ATOM 0 HE2 PHE A 35 14.279 11.025 8.933 1.00 1.64 H new ATOM 0 HZ PHE A 35 13.330 11.075 11.206 1.00 2.31 H new ATOM 561 N ASP A 36 8.566 9.116 4.548 1.00 0.36 N ATOM 562 CA ASP A 36 7.685 9.178 3.388 1.00 0.34 C ATOM 563 C ASP A 36 6.797 7.941 3.292 1.00 0.25 C ATOM 564 O ASP A 36 7.172 6.941 2.679 1.00 0.21 O ATOM 565 CB ASP A 36 8.507 9.327 2.107 1.00 0.41 C ATOM 566 CG ASP A 36 8.365 10.704 1.489 1.00 0.76 C ATOM 567 OD1 ASP A 36 8.465 11.702 2.234 1.00 0.84 O ATOM 568 OD2 ASP A 36 8.150 10.785 0.261 1.00 1.69 O ATOM 0 H ASP A 36 9.400 8.544 4.416 1.00 0.36 H new ATOM 0 HA ASP A 36 7.040 10.049 3.509 1.00 0.34 H new ATOM 0 HB2 ASP A 36 9.557 9.137 2.328 1.00 0.41 H new ATOM 0 HB3 ASP A 36 8.191 8.573 1.386 1.00 0.41 H new ATOM 573 N SER A 37 5.611 8.022 3.889 1.00 0.26 N ATOM 574 CA SER A 37 4.661 6.916 3.857 1.00 0.21 C ATOM 575 C SER A 37 4.280 6.590 2.417 1.00 0.23 C ATOM 576 O SER A 37 4.453 7.418 1.522 1.00 0.28 O ATOM 577 CB SER A 37 3.409 7.263 4.664 1.00 0.25 C ATOM 578 OG SER A 37 2.794 8.441 4.172 1.00 0.94 O ATOM 0 H SER A 37 5.286 8.842 4.401 1.00 0.26 H new ATOM 0 HA SER A 37 5.134 6.042 4.304 1.00 0.21 H new ATOM 0 HB2 SER A 37 2.702 6.434 4.619 1.00 0.25 H new ATOM 0 HB3 SER A 37 3.675 7.399 5.712 1.00 0.25 H new ATOM 0 HG SER A 37 1.820 8.330 4.180 1.00 0.94 H new ATOM 584 N ILE A 38 3.761 5.388 2.193 1.00 0.22 N ATOM 585 CA ILE A 38 3.364 4.980 0.849 1.00 0.27 C ATOM 586 C ILE A 38 1.949 5.453 0.539 1.00 0.27 C ATOM 587 O ILE A 38 1.758 6.403 -0.225 1.00 0.27 O ATOM 588 CB ILE A 38 3.468 3.451 0.675 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.915 3.016 0.961 1.00 0.36 C ATOM 590 CG2 ILE A 38 3.010 3.037 -0.728 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.312 1.682 0.366 1.00 0.47 C ATOM 0 H ILE A 38 3.606 4.685 2.916 1.00 0.22 H new ATOM 0 HA ILE A 38 4.051 5.448 0.144 1.00 0.27 H new ATOM 0 HB ILE A 38 2.809 2.948 1.382 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.591 3.782 0.580 1.00 0.36 H new ATOM 0 HG13 ILE A 38 5.059 2.972 2.041 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.090 1.955 -0.832 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.974 3.340 -0.877 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.640 3.521 -1.474 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.349 1.463 0.622 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.667 0.899 0.765 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.207 1.721 -0.718 1.00 0.47 H new ATOM 603 N CYS A 39 0.962 4.801 1.144 1.00 0.32 N ATOM 604 CA CYS A 39 -0.431 5.173 0.934 1.00 0.34 C ATOM 605 C CYS A 39 -1.219 5.087 2.242 1.00 0.40 C ATOM 606 O CYS A 39 -0.826 4.389 3.176 1.00 0.55 O ATOM 607 CB CYS A 39 -1.043 4.292 -0.186 1.00 0.40 C ATOM 608 SG CYS A 39 -2.543 3.346 0.224 1.00 1.29 S ATOM 0 H CYS A 39 1.100 4.016 1.781 1.00 0.32 H new ATOM 0 HA CYS A 39 -0.486 6.211 0.607 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -1.272 4.936 -1.035 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -0.280 3.588 -0.517 1.00 0.40 H new ATOM 0 HG CYS A 39 -2.934 2.678 -0.821 1.00 1.29 H new ATOM 614 N GLU A 40 -2.342 5.793 2.284 1.00 0.36 N ATOM 615 CA GLU A 40 -3.207 5.796 3.454 1.00 0.44 C ATOM 616 C GLU A 40 -4.663 5.705 3.019 1.00 0.48 C ATOM 617 O GLU A 40 -5.129 6.516 2.221 1.00 0.50 O ATOM 618 CB GLU A 40 -2.985 7.064 4.279 1.00 0.57 C ATOM 619 CG GLU A 40 -1.558 7.223 4.776 1.00 1.15 C ATOM 620 CD GLU A 40 -1.027 8.629 4.580 1.00 1.65 C ATOM 621 OE1 GLU A 40 -1.779 9.589 4.847 1.00 1.74 O ATOM 622 OE2 GLU A 40 0.140 8.769 4.160 1.00 2.37 O ATOM 0 H GLU A 40 -2.676 6.374 1.515 1.00 0.36 H new ATOM 0 HA GLU A 40 -2.963 4.933 4.073 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -3.249 7.932 3.675 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -3.660 7.054 5.135 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -1.515 6.966 5.834 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -0.913 6.518 4.251 1.00 1.15 H new ATOM 629 N VAL A 41 -5.375 4.713 3.535 1.00 0.55 N ATOM 630 CA VAL A 41 -6.775 4.524 3.179 1.00 0.64 C ATOM 631 C VAL A 41 -7.682 4.681 4.393 1.00 0.92 C ATOM 632 O VAL A 41 -7.319 4.304 5.507 1.00 1.08 O ATOM 633 CB VAL A 41 -7.007 3.140 2.543 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.102 2.955 1.334 1.00 1.35 C ATOM 635 CG2 VAL A 41 -6.776 2.035 3.563 1.00 1.32 C ATOM 0 H VAL A 41 -5.009 4.030 4.198 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.024 5.296 2.450 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.043 3.082 2.210 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.277 1.973 0.895 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -6.320 3.726 0.595 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.060 3.033 1.644 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -6.945 1.066 3.094 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -5.751 2.087 3.930 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.466 2.160 4.397 1.00 1.32 H new ATOM 645 N GLN A 42 -8.864 5.244 4.169 1.00 1.03 N ATOM 646 CA GLN A 42 -9.822 5.454 5.248 1.00 1.34 C ATOM 647 C GLN A 42 -11.218 4.995 4.838 1.00 1.39 C ATOM 648 O GLN A 42 -11.688 5.303 3.743 1.00 1.38 O ATOM 649 CB GLN A 42 -9.854 6.930 5.650 1.00 1.58 C ATOM 650 CG GLN A 42 -8.916 7.269 6.798 1.00 1.80 C ATOM 651 CD GLN A 42 -7.648 7.959 6.334 1.00 2.17 C ATOM 652 OE1 GLN A 42 -7.301 7.919 5.154 1.00 2.33 O ATOM 653 NE2 GLN A 42 -6.947 8.598 7.264 1.00 2.60 N ATOM 0 H GLN A 42 -9.181 5.562 3.253 1.00 1.03 H new ATOM 0 HA GLN A 42 -9.502 4.858 6.103 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -9.591 7.539 4.785 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -10.872 7.199 5.932 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -9.436 7.912 7.508 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.653 6.354 7.329 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.271 8.606 8.231 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -6.085 9.081 7.011 1.00 2.60 H new ATOM 662 N SER A 43 -11.875 4.258 5.727 1.00 1.55 N ATOM 663 CA SER A 43 -13.218 3.755 5.463 1.00 1.64 C ATOM 664 C SER A 43 -14.138 4.023 6.649 1.00 2.05 C ATOM 665 O SER A 43 -13.689 4.074 7.795 1.00 2.29 O ATOM 666 CB SER A 43 -13.176 2.255 5.164 1.00 1.43 C ATOM 667 OG SER A 43 -13.584 1.988 3.834 1.00 1.73 O ATOM 0 H SER A 43 -11.499 3.995 6.638 1.00 1.55 H new ATOM 0 HA SER A 43 -13.612 4.279 4.592 1.00 1.64 H new ATOM 0 HB2 SER A 43 -12.165 1.878 5.320 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.825 1.724 5.860 1.00 1.43 H new ATOM 0 HG SER A 43 -13.547 1.023 3.668 1.00 1.73 H new ATOM 673 N ASP A 44 -15.426 4.194 6.370 1.00 2.23 N ATOM 674 CA ASP A 44 -16.403 4.455 7.420 1.00 2.66 C ATOM 675 C ASP A 44 -16.302 3.408 8.524 1.00 2.80 C ATOM 676 O ASP A 44 -16.612 3.682 9.684 1.00 3.14 O ATOM 677 CB ASP A 44 -17.819 4.468 6.839 1.00 2.85 C ATOM 678 CG ASP A 44 -18.262 5.858 6.426 1.00 3.67 C ATOM 679 OD1 ASP A 44 -17.626 6.840 6.865 1.00 4.39 O ATOM 680 OD2 ASP A 44 -19.246 5.966 5.664 1.00 3.89 O ATOM 0 H ASP A 44 -15.816 4.157 5.428 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.188 5.434 7.849 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -17.860 3.805 5.975 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.516 4.072 7.578 1.00 2.85 H new ATOM 685 N LYS A 45 -15.864 2.208 8.156 1.00 2.69 N ATOM 686 CA LYS A 45 -15.719 1.119 9.115 1.00 2.92 C ATOM 687 C LYS A 45 -14.460 1.299 9.955 1.00 3.03 C ATOM 688 O LYS A 45 -14.531 1.437 11.176 1.00 3.65 O ATOM 689 CB LYS A 45 -15.672 -0.227 8.389 1.00 2.89 C ATOM 690 CG LYS A 45 -15.462 -1.412 9.318 1.00 2.98 C ATOM 691 CD LYS A 45 -14.158 -2.135 9.016 1.00 3.17 C ATOM 692 CE LYS A 45 -14.109 -2.620 7.576 1.00 3.22 C ATOM 693 NZ LYS A 45 -15.393 -3.245 7.156 1.00 3.62 N ATOM 0 H LYS A 45 -15.603 1.965 7.200 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.584 1.136 9.778 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -16.603 -0.367 7.840 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -14.868 -0.206 7.653 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -15.457 -1.068 10.352 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -16.296 -2.107 9.217 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -13.318 -1.466 9.204 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -14.047 -2.984 9.691 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -13.881 -1.781 6.918 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -13.300 -3.342 7.464 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -15.221 -3.890 6.358 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -15.796 -3.779 7.952 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -16.061 -2.503 6.863 1.00 3.62 H new ATOM 707 N ALA A 46 -13.307 1.296 9.294 1.00 2.58 N ATOM 708 CA ALA A 46 -12.032 1.459 9.982 1.00 2.82 C ATOM 709 C ALA A 46 -11.020 2.187 9.104 1.00 2.68 C ATOM 710 O ALA A 46 -11.151 2.215 7.880 1.00 2.63 O ATOM 711 CB ALA A 46 -11.484 0.105 10.408 1.00 2.83 C ATOM 0 H ALA A 46 -13.230 1.183 8.283 1.00 2.58 H new ATOM 0 HA ALA A 46 -12.205 2.066 10.871 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.532 0.243 10.920 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -12.192 -0.378 11.081 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.335 -0.521 9.528 1.00 2.83 H new ATOM 717 N SER A 47 -10.010 2.774 9.738 1.00 2.96 N ATOM 718 CA SER A 47 -8.972 3.503 9.017 1.00 2.92 C ATOM 719 C SER A 47 -7.700 2.668 8.908 1.00 2.26 C ATOM 720 O SER A 47 -7.296 2.008 9.864 1.00 2.31 O ATOM 721 CB SER A 47 -8.671 4.828 9.722 1.00 3.72 C ATOM 722 OG SER A 47 -7.343 5.254 9.471 1.00 4.52 O ATOM 0 H SER A 47 -9.888 2.759 10.751 1.00 2.96 H new ATOM 0 HA SER A 47 -9.336 3.710 8.010 1.00 2.92 H new ATOM 0 HB2 SER A 47 -9.371 5.591 9.381 1.00 3.72 H new ATOM 0 HB3 SER A 47 -8.822 4.714 10.795 1.00 3.72 H new ATOM 0 HG SER A 47 -7.179 6.103 9.932 1.00 4.52 H new ATOM 728 N VAL A 48 -7.072 2.702 7.737 1.00 2.12 N ATOM 729 CA VAL A 48 -5.846 1.945 7.509 1.00 1.80 C ATOM 730 C VAL A 48 -4.791 2.804 6.819 1.00 1.55 C ATOM 731 O VAL A 48 -4.943 3.178 5.656 1.00 1.97 O ATOM 732 CB VAL A 48 -6.096 0.682 6.656 1.00 2.53 C ATOM 733 CG1 VAL A 48 -5.039 -0.373 6.947 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.493 0.123 6.900 1.00 3.50 C ATOM 0 H VAL A 48 -7.390 3.244 6.934 1.00 2.12 H new ATOM 0 HA VAL A 48 -5.486 1.639 8.491 1.00 1.80 H new ATOM 0 HB VAL A 48 -6.026 0.964 5.605 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -5.230 -1.257 6.338 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -4.052 0.025 6.710 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -5.077 -0.645 8.002 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -7.642 -0.766 6.287 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.601 -0.140 7.952 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -8.237 0.875 6.636 1.00 3.50 H new ATOM 744 N THR A 49 -3.722 3.109 7.546 1.00 1.13 N ATOM 745 CA THR A 49 -2.636 3.922 7.011 1.00 0.98 C ATOM 746 C THR A 49 -1.364 3.091 6.866 1.00 0.69 C ATOM 747 O THR A 49 -0.971 2.378 7.790 1.00 0.71 O ATOM 748 CB THR A 49 -2.352 5.135 7.917 1.00 1.22 C ATOM 749 OG1 THR A 49 -1.877 4.692 9.194 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.607 5.977 8.102 1.00 1.46 C ATOM 0 H THR A 49 -3.584 2.805 8.510 1.00 1.13 H new ATOM 0 HA THR A 49 -2.947 4.281 6.030 1.00 0.98 H new ATOM 0 HB THR A 49 -1.588 5.748 7.438 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.697 5.469 9.764 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.383 6.828 8.745 1.00 1.46 H new ATOM 0 HG22 THR A 49 -3.951 6.336 7.132 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.388 5.371 8.562 1.00 1.46 H new ATOM 758 N ILE A 50 -0.729 3.173 5.699 1.00 0.66 N ATOM 759 CA ILE A 50 0.487 2.408 5.447 1.00 0.49 C ATOM 760 C ILE A 50 1.740 3.276 5.547 1.00 0.37 C ATOM 761 O ILE A 50 2.046 4.068 4.647 1.00 0.36 O ATOM 762 CB ILE A 50 0.444 1.736 4.062 1.00 0.66 C ATOM 763 CG1 ILE A 50 -0.869 0.971 3.888 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.634 0.804 3.889 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.108 -0.069 4.962 1.00 1.01 C ATOM 0 H ILE A 50 -1.034 3.756 4.920 1.00 0.66 H new ATOM 0 HA ILE A 50 0.535 1.641 6.220 1.00 0.49 H new ATOM 0 HB ILE A 50 0.499 2.508 3.295 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.697 1.680 3.889 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -0.869 0.483 2.914 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.590 0.336 2.905 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.559 1.374 3.979 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.607 0.033 4.659 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.057 -0.573 4.776 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -0.300 -0.800 4.947 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.140 0.416 5.938 1.00 1.01 H new ATOM 777 N THR A 51 2.472 3.100 6.643 1.00 0.41 N ATOM 778 CA THR A 51 3.703 3.841 6.876 1.00 0.44 C ATOM 779 C THR A 51 4.881 3.143 6.212 1.00 0.40 C ATOM 780 O THR A 51 4.712 2.115 5.556 1.00 0.50 O ATOM 781 CB THR A 51 3.995 3.998 8.380 1.00 0.56 C ATOM 782 OG1 THR A 51 3.463 2.881 9.103 1.00 0.79 O ATOM 783 CG2 THR A 51 3.392 5.288 8.916 1.00 1.04 C ATOM 0 H THR A 51 2.230 2.446 7.387 1.00 0.41 H new ATOM 0 HA THR A 51 3.568 4.831 6.441 1.00 0.44 H new ATOM 0 HB THR A 51 5.076 4.036 8.515 1.00 0.56 H new ATOM 0 HG1 THR A 51 3.655 2.988 10.058 1.00 0.79 H new ATOM 0 HG21 THR A 51 3.611 5.377 9.980 1.00 1.04 H new ATOM 0 HG22 THR A 51 3.820 6.138 8.385 1.00 1.04 H new ATOM 0 HG23 THR A 51 2.312 5.274 8.768 1.00 1.04 H new ATOM 791 N SER A 52 6.071 3.705 6.375 1.00 0.49 N ATOM 792 CA SER A 52 7.263 3.123 5.777 1.00 0.56 C ATOM 793 C SER A 52 8.102 2.374 6.811 1.00 0.56 C ATOM 794 O SER A 52 8.158 1.148 6.790 1.00 0.66 O ATOM 795 CB SER A 52 8.099 4.209 5.097 1.00 0.63 C ATOM 796 OG SER A 52 7.273 5.129 4.405 1.00 1.36 O ATOM 0 H SER A 52 6.236 4.556 6.912 1.00 0.49 H new ATOM 0 HA SER A 52 6.941 2.401 5.027 1.00 0.56 H new ATOM 0 HB2 SER A 52 8.691 4.738 5.844 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.800 3.750 4.400 1.00 0.63 H new ATOM 0 HG SER A 52 7.833 5.782 3.935 1.00 1.36 H new ATOM 802 N ARG A 53 8.765 3.123 7.699 1.00 0.54 N ATOM 803 CA ARG A 53 9.627 2.546 8.740 1.00 0.63 C ATOM 804 C ARG A 53 11.028 2.225 8.196 1.00 0.58 C ATOM 805 O ARG A 53 11.948 1.933 8.961 1.00 0.68 O ATOM 806 CB ARG A 53 8.969 1.302 9.384 1.00 0.83 C ATOM 807 CG ARG A 53 9.369 -0.051 8.791 1.00 1.39 C ATOM 808 CD ARG A 53 10.158 -0.893 9.783 1.00 2.19 C ATOM 809 NE ARG A 53 11.312 -0.181 10.327 1.00 2.73 N ATOM 810 CZ ARG A 53 12.194 -0.733 11.155 1.00 3.54 C ATOM 811 NH1 ARG A 53 12.037 -1.988 11.553 1.00 4.04 N ATOM 812 NH2 ARG A 53 13.230 -0.028 11.590 1.00 4.23 N ATOM 0 H ARG A 53 8.721 4.142 7.718 1.00 0.54 H new ATOM 0 HA ARG A 53 9.748 3.296 9.522 1.00 0.63 H new ATOM 0 HB2 ARG A 53 9.211 1.297 10.447 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.887 1.406 9.304 1.00 0.83 H new ATOM 0 HG2 ARG A 53 8.474 -0.593 8.486 1.00 1.39 H new ATOM 0 HG3 ARG A 53 9.967 0.108 7.893 1.00 1.39 H new ATOM 0 HD2 ARG A 53 9.503 -1.195 10.600 1.00 2.19 H new ATOM 0 HD3 ARG A 53 10.496 -1.805 9.292 1.00 2.19 H new ATOM 0 HE ARG A 53 11.449 0.793 10.057 1.00 2.73 H new ATOM 0 HH11 ARG A 53 11.239 -2.531 11.224 1.00 4.04 H new ATOM 0 HH12 ARG A 53 12.714 -2.410 12.188 1.00 4.04 H new ATOM 0 HH21 ARG A 53 13.351 0.939 11.289 1.00 4.23 H new ATOM 0 HH22 ARG A 53 13.906 -0.453 12.225 1.00 4.23 H new ATOM 826 N TYR A 54 11.179 2.281 6.876 1.00 0.45 N ATOM 827 CA TYR A 54 12.446 2.000 6.221 1.00 0.41 C ATOM 828 C TYR A 54 12.393 2.517 4.790 1.00 0.31 C ATOM 829 O TYR A 54 11.335 2.941 4.322 1.00 0.28 O ATOM 830 CB TYR A 54 12.742 0.499 6.236 1.00 0.50 C ATOM 831 CG TYR A 54 13.864 0.115 7.176 1.00 1.15 C ATOM 832 CD1 TYR A 54 15.004 0.902 7.285 1.00 1.89 C ATOM 833 CD2 TYR A 54 13.783 -1.033 7.955 1.00 1.77 C ATOM 834 CE1 TYR A 54 16.031 0.556 8.142 1.00 2.72 C ATOM 835 CE2 TYR A 54 14.805 -1.385 8.816 1.00 2.59 C ATOM 836 CZ TYR A 54 15.927 -0.589 8.906 1.00 2.95 C ATOM 837 OH TYR A 54 16.947 -0.938 9.762 1.00 3.88 O ATOM 0 H TYR A 54 10.425 2.523 6.233 1.00 0.45 H new ATOM 0 HA TYR A 54 13.248 2.504 6.760 1.00 0.41 H new ATOM 0 HB2 TYR A 54 11.838 -0.039 6.523 1.00 0.50 H new ATOM 0 HB3 TYR A 54 12.998 0.177 5.227 1.00 0.50 H new ATOM 0 HD1 TYR A 54 15.089 1.799 6.690 1.00 1.89 H new ATOM 0 HD2 TYR A 54 12.907 -1.661 7.886 1.00 1.77 H new ATOM 0 HE1 TYR A 54 16.911 1.178 8.214 1.00 2.72 H new ATOM 0 HE2 TYR A 54 14.725 -2.280 9.416 1.00 2.59 H new ATOM 0 HH TYR A 54 16.715 -1.770 10.226 1.00 3.88 H new ATOM 847 N ASP A 55 13.520 2.496 4.094 1.00 0.30 N ATOM 848 CA ASP A 55 13.551 2.984 2.724 1.00 0.24 C ATOM 849 C ASP A 55 13.422 1.831 1.736 1.00 0.23 C ATOM 850 O ASP A 55 14.220 0.894 1.745 1.00 0.28 O ATOM 851 CB ASP A 55 14.836 3.770 2.459 1.00 0.28 C ATOM 852 CG ASP A 55 15.251 4.620 3.646 1.00 1.01 C ATOM 853 OD1 ASP A 55 15.849 4.067 4.592 1.00 1.52 O ATOM 854 OD2 ASP A 55 14.977 5.839 3.628 1.00 1.33 O ATOM 0 H ASP A 55 14.412 2.152 4.449 1.00 0.30 H new ATOM 0 HA ASP A 55 12.702 3.653 2.585 1.00 0.24 H new ATOM 0 HB2 ASP A 55 15.640 3.075 2.215 1.00 0.28 H new ATOM 0 HB3 ASP A 55 14.693 4.411 1.589 1.00 0.28 H new ATOM 859 N GLY A 56 12.395 1.908 0.892 1.00 0.18 N ATOM 860 CA GLY A 56 12.153 0.865 -0.089 1.00 0.18 C ATOM 861 C GLY A 56 11.877 1.417 -1.472 1.00 0.15 C ATOM 862 O GLY A 56 11.609 2.605 -1.629 1.00 0.15 O ATOM 0 H GLY A 56 11.725 2.677 0.871 1.00 0.18 H new ATOM 0 HA2 GLY A 56 13.019 0.204 -0.132 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.305 0.259 0.232 1.00 0.18 H new ATOM 866 N VAL A 57 11.954 0.557 -2.482 1.00 0.18 N ATOM 867 CA VAL A 57 11.720 0.982 -3.861 1.00 0.21 C ATOM 868 C VAL A 57 10.344 0.560 -4.366 1.00 0.22 C ATOM 869 O VAL A 57 10.025 -0.626 -4.405 1.00 0.26 O ATOM 870 CB VAL A 57 12.789 0.411 -4.811 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.570 0.917 -6.228 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.186 0.760 -4.322 1.00 1.11 C ATOM 0 H VAL A 57 12.175 -0.433 -2.375 1.00 0.18 H new ATOM 0 HA VAL A 57 11.776 2.071 -3.856 1.00 0.21 H new ATOM 0 HB VAL A 57 12.695 -0.675 -4.819 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.335 0.503 -6.885 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.585 0.606 -6.577 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.632 2.005 -6.240 1.00 1.06 H new ATOM 0 HG21 VAL A 57 14.925 0.347 -5.008 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.296 1.844 -4.279 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.339 0.340 -3.328 1.00 1.11 H new ATOM 882 N ILE A 58 9.544 1.543 -4.775 1.00 0.21 N ATOM 883 CA ILE A 58 8.207 1.287 -5.305 1.00 0.24 C ATOM 884 C ILE A 58 8.245 1.314 -6.827 1.00 0.33 C ATOM 885 O ILE A 58 8.764 2.262 -7.426 1.00 0.38 O ATOM 886 CB ILE A 58 7.196 2.321 -4.783 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.368 2.486 -3.279 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.772 1.899 -5.110 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.528 3.593 -2.690 1.00 0.17 C ATOM 0 H ILE A 58 9.801 2.530 -4.749 1.00 0.21 H new ATOM 0 HA ILE A 58 7.885 0.302 -4.967 1.00 0.24 H new ATOM 0 HB ILE A 58 7.384 3.276 -5.274 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.112 1.547 -2.788 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.418 2.684 -3.062 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.075 2.646 -4.731 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.658 1.811 -6.190 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.562 0.937 -4.644 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.703 3.651 -1.616 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.799 4.542 -3.153 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.474 3.387 -2.875 1.00 0.17 H new ATOM 901 N LYS A 59 7.734 0.250 -7.446 1.00 0.40 N ATOM 902 CA LYS A 59 7.764 0.126 -8.900 1.00 0.53 C ATOM 903 C LYS A 59 6.447 0.496 -9.578 1.00 0.52 C ATOM 904 O LYS A 59 6.452 1.186 -10.597 1.00 0.61 O ATOM 905 CB LYS A 59 8.154 -1.302 -9.309 1.00 0.65 C ATOM 906 CG LYS A 59 7.891 -2.371 -8.259 1.00 0.83 C ATOM 907 CD LYS A 59 8.437 -3.717 -8.700 1.00 1.03 C ATOM 908 CE LYS A 59 9.917 -3.630 -9.038 1.00 1.51 C ATOM 909 NZ LYS A 59 10.696 -2.967 -7.956 1.00 2.14 N ATOM 0 H LYS A 59 7.296 -0.535 -6.964 1.00 0.40 H new ATOM 0 HA LYS A 59 8.512 0.842 -9.240 1.00 0.53 H new ATOM 0 HB2 LYS A 59 7.610 -1.565 -10.216 1.00 0.65 H new ATOM 0 HB3 LYS A 59 9.215 -1.314 -9.559 1.00 0.65 H new ATOM 0 HG2 LYS A 59 8.352 -2.080 -7.315 1.00 0.83 H new ATOM 0 HG3 LYS A 59 6.819 -2.452 -8.078 1.00 0.83 H new ATOM 0 HD2 LYS A 59 8.285 -4.450 -7.908 1.00 1.03 H new ATOM 0 HD3 LYS A 59 7.883 -4.069 -9.570 1.00 1.03 H new ATOM 0 HE2 LYS A 59 10.310 -4.632 -9.206 1.00 1.51 H new ATOM 0 HE3 LYS A 59 10.045 -3.077 -9.969 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 11.564 -3.509 -7.771 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 10.947 -2.002 -8.250 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 10.122 -2.927 -7.090 1.00 2.14 H new ATOM 923 N LYS A 60 5.325 0.026 -9.048 1.00 0.44 N ATOM 924 CA LYS A 60 4.039 0.321 -9.672 1.00 0.45 C ATOM 925 C LYS A 60 2.926 0.544 -8.652 1.00 0.37 C ATOM 926 O LYS A 60 2.832 -0.158 -7.648 1.00 0.53 O ATOM 927 CB LYS A 60 3.654 -0.809 -10.640 1.00 0.55 C ATOM 928 CG LYS A 60 3.002 -2.015 -9.974 1.00 0.76 C ATOM 929 CD LYS A 60 3.976 -2.760 -9.077 1.00 0.51 C ATOM 930 CE LYS A 60 5.224 -3.181 -9.835 1.00 0.71 C ATOM 931 NZ LYS A 60 4.891 -3.939 -11.073 1.00 1.35 N ATOM 0 H LYS A 60 5.276 -0.548 -8.207 1.00 0.44 H new ATOM 0 HA LYS A 60 4.155 1.255 -10.222 1.00 0.45 H new ATOM 0 HB2 LYS A 60 2.971 -0.411 -11.391 1.00 0.55 H new ATOM 0 HB3 LYS A 60 4.549 -1.140 -11.167 1.00 0.55 H new ATOM 0 HG2 LYS A 60 2.145 -1.686 -9.386 1.00 0.76 H new ATOM 0 HG3 LYS A 60 2.622 -2.692 -10.740 1.00 0.76 H new ATOM 0 HD2 LYS A 60 4.257 -2.125 -8.237 1.00 0.51 H new ATOM 0 HD3 LYS A 60 3.488 -3.641 -8.661 1.00 0.51 H new ATOM 0 HE2 LYS A 60 5.806 -2.297 -10.096 1.00 0.71 H new ATOM 0 HE3 LYS A 60 5.851 -3.797 -9.190 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 5.750 -4.395 -11.443 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 4.180 -4.666 -10.854 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 4.510 -3.286 -11.788 1.00 1.35 H new ATOM 945 N LEU A 61 2.070 1.516 -8.947 1.00 0.35 N ATOM 946 CA LEU A 61 0.935 1.842 -8.094 1.00 0.37 C ATOM 947 C LEU A 61 -0.349 1.799 -8.919 1.00 0.56 C ATOM 948 O LEU A 61 -0.607 2.685 -9.734 1.00 0.94 O ATOM 949 CB LEU A 61 1.126 3.221 -7.460 1.00 0.39 C ATOM 950 CG LEU A 61 2.259 3.309 -6.433 1.00 0.33 C ATOM 951 CD1 LEU A 61 3.090 4.561 -6.660 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.697 3.294 -5.024 1.00 0.91 C ATOM 0 H LEU A 61 2.143 2.098 -9.781 1.00 0.35 H new ATOM 0 HA LEU A 61 0.864 1.109 -7.291 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.316 3.945 -8.252 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.194 3.515 -6.977 1.00 0.39 H new ATOM 0 HG LEU A 61 2.906 2.441 -6.558 1.00 0.33 H new ATOM 0 HD11 LEU A 61 3.890 4.606 -5.921 1.00 1.14 H new ATOM 0 HD12 LEU A 61 3.522 4.535 -7.661 1.00 1.14 H new ATOM 0 HD13 LEU A 61 2.455 5.442 -6.562 1.00 1.14 H new ATOM 0 HD21 LEU A 61 2.514 3.357 -4.306 1.00 0.91 H new ATOM 0 HD22 LEU A 61 1.029 4.145 -4.890 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.143 2.369 -4.863 1.00 0.91 H new ATOM 964 N TYR A 62 -1.124 0.737 -8.731 1.00 0.68 N ATOM 965 CA TYR A 62 -2.359 0.532 -9.484 1.00 0.88 C ATOM 966 C TYR A 62 -3.475 1.506 -9.100 1.00 0.75 C ATOM 967 O TYR A 62 -4.161 2.036 -9.974 1.00 0.87 O ATOM 968 CB TYR A 62 -2.848 -0.904 -9.292 1.00 1.16 C ATOM 969 CG TYR A 62 -3.330 -1.558 -10.568 1.00 1.24 C ATOM 970 CD1 TYR A 62 -2.444 -2.218 -11.410 1.00 1.55 C ATOM 971 CD2 TYR A 62 -4.670 -1.515 -10.928 1.00 1.81 C ATOM 972 CE1 TYR A 62 -2.882 -2.818 -12.576 1.00 2.07 C ATOM 973 CE2 TYR A 62 -5.116 -2.113 -12.092 1.00 2.35 C ATOM 974 CZ TYR A 62 -4.219 -2.762 -12.912 1.00 2.38 C ATOM 975 OH TYR A 62 -4.660 -3.359 -14.071 1.00 3.08 O ATOM 0 H TYR A 62 -0.918 -0.002 -8.058 1.00 0.68 H new ATOM 0 HA TYR A 62 -2.120 0.722 -10.530 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -2.039 -1.501 -8.872 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -3.659 -0.908 -8.563 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -1.397 -2.263 -11.150 1.00 1.55 H new ATOM 0 HD2 TYR A 62 -5.376 -1.006 -10.288 1.00 1.81 H new ATOM 0 HE1 TYR A 62 -2.181 -3.328 -13.220 1.00 2.07 H new ATOM 0 HE2 TYR A 62 -6.162 -2.072 -12.357 1.00 2.35 H new ATOM 0 HH TYR A 62 -5.627 -3.229 -14.159 1.00 3.08 H new ATOM 985 N TYR A 63 -3.687 1.716 -7.805 1.00 0.64 N ATOM 986 CA TYR A 63 -4.761 2.600 -7.357 1.00 0.62 C ATOM 987 C TYR A 63 -4.240 3.926 -6.806 1.00 0.63 C ATOM 988 O TYR A 63 -3.315 3.956 -5.995 1.00 0.73 O ATOM 989 CB TYR A 63 -5.600 1.888 -6.293 1.00 0.79 C ATOM 990 CG TYR A 63 -6.284 0.640 -6.802 1.00 1.02 C ATOM 991 CD1 TYR A 63 -6.856 0.606 -8.068 1.00 1.16 C ATOM 992 CD2 TYR A 63 -6.356 -0.505 -6.019 1.00 1.28 C ATOM 993 CE1 TYR A 63 -7.481 -0.532 -8.538 1.00 1.45 C ATOM 994 CE2 TYR A 63 -6.979 -1.648 -6.483 1.00 1.56 C ATOM 995 CZ TYR A 63 -7.539 -1.657 -7.742 1.00 1.60 C ATOM 996 OH TYR A 63 -8.160 -2.793 -8.208 1.00 1.93 O ATOM 0 H TYR A 63 -3.139 1.294 -7.055 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.374 2.835 -8.227 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.959 1.624 -5.452 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.354 2.578 -5.914 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -6.811 1.484 -8.695 1.00 1.16 H new ATOM 0 HD2 TYR A 63 -5.918 -0.502 -5.032 1.00 1.28 H new ATOM 0 HE1 TYR A 63 -7.922 -0.541 -9.524 1.00 1.45 H new ATOM 0 HE2 TYR A 63 -7.027 -2.530 -5.862 1.00 1.56 H new ATOM 0 HH TYR A 63 -8.674 -3.206 -7.483 1.00 1.93 H new ATOM 1006 N ASN A 64 -4.861 5.022 -7.249 1.00 0.63 N ATOM 1007 CA ASN A 64 -4.486 6.359 -6.802 1.00 0.67 C ATOM 1008 C ASN A 64 -5.411 6.845 -5.690 1.00 0.49 C ATOM 1009 O ASN A 64 -6.169 6.070 -5.105 1.00 0.47 O ATOM 1010 CB ASN A 64 -4.544 7.350 -7.964 1.00 0.93 C ATOM 1011 CG ASN A 64 -3.767 6.873 -9.176 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -4.297 6.158 -10.026 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -2.502 7.267 -9.259 1.00 1.03 N ATOM 0 H ASN A 64 -5.629 5.006 -7.920 1.00 0.63 H new ATOM 0 HA ASN A 64 -3.467 6.302 -6.420 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -5.584 7.514 -8.245 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -4.147 8.311 -7.637 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -1.928 6.977 -10.051 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -2.104 7.860 -8.531 1.00 1.03 H new ATOM 1020 N LEU A 65 -5.325 8.138 -5.407 1.00 0.54 N ATOM 1021 CA LEU A 65 -6.122 8.771 -4.374 1.00 0.54 C ATOM 1022 C LEU A 65 -7.621 8.586 -4.605 1.00 0.66 C ATOM 1023 O LEU A 65 -8.417 8.700 -3.674 1.00 0.77 O ATOM 1024 CB LEU A 65 -5.786 10.258 -4.340 1.00 0.66 C ATOM 1025 CG LEU A 65 -4.647 10.639 -3.398 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -3.965 11.913 -3.869 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -5.161 10.798 -1.978 1.00 1.04 C ATOM 0 H LEU A 65 -4.696 8.777 -5.892 1.00 0.54 H new ATOM 0 HA LEU A 65 -5.883 8.298 -3.421 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -5.527 10.580 -5.349 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -6.679 10.811 -4.049 1.00 0.66 H new ATOM 0 HG LEU A 65 -3.910 9.836 -3.407 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.156 12.167 -3.184 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -3.559 11.760 -4.869 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -4.690 12.727 -3.892 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -4.335 11.070 -1.320 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -5.919 11.581 -1.951 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -5.598 9.858 -1.642 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.004 8.322 -5.849 1.00 0.75 N ATOM 1040 CA ASP A 66 -9.413 8.150 -6.191 1.00 0.92 C ATOM 1041 C ASP A 66 -9.789 6.678 -6.341 1.00 0.87 C ATOM 1042 O ASP A 66 -10.952 6.308 -6.180 1.00 1.00 O ATOM 1043 CB ASP A 66 -9.734 8.900 -7.485 1.00 1.12 C ATOM 1044 CG ASP A 66 -11.205 9.245 -7.606 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -12.018 8.638 -6.878 1.00 2.30 O ATOM 1046 OD2 ASP A 66 -11.544 10.121 -8.429 1.00 2.33 O ATOM 0 H ASP A 66 -7.362 8.222 -6.636 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.001 8.561 -5.371 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.145 9.816 -7.526 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -9.436 8.291 -8.338 1.00 1.12 H new ATOM 1051 N ASP A 67 -8.810 5.845 -6.669 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.054 4.419 -6.862 1.00 0.81 C ATOM 1053 C ASP A 67 -9.342 3.696 -5.548 1.00 0.69 C ATOM 1054 O ASP A 67 -8.837 4.071 -4.483 1.00 0.56 O ATOM 1055 CB ASP A 67 -7.857 3.768 -7.548 1.00 0.92 C ATOM 1056 CG ASP A 67 -7.691 4.229 -8.982 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -8.262 5.282 -9.338 1.00 1.54 O ATOM 1058 OD2 ASP A 67 -6.991 3.537 -9.750 1.00 1.85 O ATOM 0 H ASP A 67 -7.840 6.130 -6.807 1.00 0.77 H new ATOM 0 HA ASP A 67 -9.939 4.330 -7.492 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -6.951 3.999 -6.988 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -7.976 2.685 -7.529 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.150 2.641 -5.654 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.525 1.816 -4.510 1.00 0.78 C ATOM 1065 C ILE A 68 -9.891 0.449 -4.618 1.00 0.99 C ATOM 1066 O ILE A 68 -9.900 -0.173 -5.680 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.051 1.608 -4.411 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -12.816 2.791 -5.012 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.456 1.382 -2.960 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -12.779 4.027 -4.148 1.00 1.10 C ATOM 0 H ILE A 68 -10.562 2.336 -6.536 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.176 2.347 -3.624 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.312 0.722 -4.990 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.396 3.027 -5.990 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -13.854 2.500 -5.173 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.535 1.236 -2.902 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -11.949 0.497 -2.574 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.174 2.250 -2.364 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -13.340 4.826 -4.632 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.225 3.807 -3.178 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -11.745 4.342 -4.008 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.365 -0.027 -3.508 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.756 -1.335 -3.479 1.00 1.34 C ATOM 1084 C ALA A 69 -9.713 -2.337 -2.857 1.00 1.19 C ATOM 1085 O ALA A 69 -10.487 -1.997 -1.942 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.434 -1.301 -2.731 1.00 2.16 C ATOM 0 H ALA A 69 -9.348 0.472 -2.619 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.545 -1.647 -4.502 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.995 -2.299 -2.723 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.753 -0.609 -3.226 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.604 -0.971 -1.706 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.660 -3.564 -3.368 1.00 1.18 N ATOM 1093 CA TYR A 70 -10.512 -4.640 -2.892 1.00 1.38 C ATOM 1094 C TYR A 70 -9.676 -5.853 -2.510 1.00 1.17 C ATOM 1095 O TYR A 70 -8.676 -6.162 -3.158 1.00 1.21 O ATOM 1096 CB TYR A 70 -11.535 -5.024 -3.963 1.00 1.97 C ATOM 1097 CG TYR A 70 -10.911 -5.491 -5.259 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -10.593 -6.829 -5.459 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -10.639 -4.592 -6.283 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -10.022 -7.258 -6.642 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -10.068 -5.014 -7.470 1.00 4.07 C ATOM 1102 CZ TYR A 70 -9.761 -6.347 -7.644 1.00 4.67 C ATOM 1103 OH TYR A 70 -9.192 -6.770 -8.824 1.00 5.65 O ATOM 0 H TYR A 70 -9.027 -3.836 -4.120 1.00 1.18 H new ATOM 0 HA TYR A 70 -11.044 -4.290 -2.007 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -12.177 -5.814 -3.573 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -12.175 -4.165 -4.167 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -10.796 -7.546 -4.677 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -10.877 -3.547 -6.150 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -9.781 -8.302 -6.781 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -9.864 -4.303 -8.257 1.00 4.07 H new ATOM 0 HH TYR A 70 -9.076 -6.004 -9.424 1.00 5.65 H new ATOM 1113 N VAL A 71 -10.089 -6.531 -1.449 1.00 1.69 N ATOM 1114 CA VAL A 71 -9.376 -7.705 -0.970 1.00 2.02 C ATOM 1115 C VAL A 71 -9.335 -8.806 -2.024 1.00 2.00 C ATOM 1116 O VAL A 71 -10.319 -9.048 -2.724 1.00 2.35 O ATOM 1117 CB VAL A 71 -10.013 -8.260 0.317 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -9.125 -9.328 0.937 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -10.277 -7.136 1.307 1.00 3.61 C ATOM 0 H VAL A 71 -10.915 -6.287 -0.903 1.00 1.69 H new ATOM 0 HA VAL A 71 -8.356 -7.385 -0.755 1.00 2.02 H new ATOM 0 HB VAL A 71 -10.967 -8.720 0.059 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -9.593 -9.708 1.845 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -8.991 -10.146 0.229 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -8.154 -8.897 1.182 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -10.727 -7.546 2.211 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -9.337 -6.646 1.560 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -10.956 -6.410 0.860 1.00 3.61 H new ATOM 1129 N GLY A 72 -8.189 -9.475 -2.129 1.00 1.84 N ATOM 1130 CA GLY A 72 -8.041 -10.547 -3.095 1.00 1.87 C ATOM 1131 C GLY A 72 -6.897 -10.322 -4.069 1.00 1.57 C ATOM 1132 O GLY A 72 -6.510 -11.239 -4.794 1.00 1.63 O ATOM 0 H GLY A 72 -7.361 -9.293 -1.562 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -7.879 -11.485 -2.565 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -8.970 -10.654 -3.655 1.00 1.87 H new ATOM 1136 N LYS A 73 -6.349 -9.110 -4.091 1.00 1.31 N ATOM 1137 CA LYS A 73 -5.242 -8.799 -4.992 1.00 1.09 C ATOM 1138 C LYS A 73 -4.401 -7.636 -4.463 1.00 0.83 C ATOM 1139 O LYS A 73 -4.940 -6.639 -3.984 1.00 0.79 O ATOM 1140 CB LYS A 73 -5.772 -8.468 -6.388 1.00 1.27 C ATOM 1141 CG LYS A 73 -5.437 -9.523 -7.430 1.00 1.59 C ATOM 1142 CD LYS A 73 -5.071 -8.894 -8.765 1.00 1.98 C ATOM 1143 CE LYS A 73 -3.606 -9.120 -9.105 1.00 2.32 C ATOM 1144 NZ LYS A 73 -3.319 -8.846 -10.541 1.00 2.96 N ATOM 0 H LYS A 73 -6.649 -8.334 -3.502 1.00 1.31 H new ATOM 0 HA LYS A 73 -4.603 -9.680 -5.050 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -6.854 -8.349 -6.338 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -5.360 -7.510 -6.707 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -4.607 -10.135 -7.076 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -6.290 -10.189 -7.562 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -5.697 -9.316 -9.551 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -5.277 -7.824 -8.733 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -2.985 -8.476 -8.482 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -3.334 -10.149 -8.871 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -2.310 -9.012 -10.731 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -3.892 -9.478 -11.136 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -3.554 -7.857 -10.759 1.00 2.96 H new ATOM 1158 N PRO A 74 -3.061 -7.750 -4.545 1.00 0.75 N ATOM 1159 CA PRO A 74 -2.145 -6.702 -4.073 1.00 0.64 C ATOM 1160 C PRO A 74 -2.437 -5.346 -4.705 1.00 0.53 C ATOM 1161 O PRO A 74 -3.155 -5.257 -5.701 1.00 0.75 O ATOM 1162 CB PRO A 74 -0.766 -7.209 -4.506 1.00 0.77 C ATOM 1163 CG PRO A 74 -0.926 -8.684 -4.621 1.00 0.87 C ATOM 1164 CD PRO A 74 -2.332 -8.905 -5.101 1.00 0.91 C ATOM 0 HA PRO A 74 -2.235 -6.539 -2.999 1.00 0.64 H new ATOM 0 HB2 PRO A 74 -0.462 -6.768 -5.455 1.00 0.77 H new ATOM 0 HB3 PRO A 74 -0.001 -6.949 -3.775 1.00 0.77 H new ATOM 0 HG2 PRO A 74 -0.203 -9.103 -5.321 1.00 0.87 H new ATOM 0 HG3 PRO A 74 -0.759 -9.172 -3.661 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -2.387 -8.930 -6.189 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -2.738 -9.850 -4.739 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.882 -4.291 -4.115 1.00 0.40 N ATOM 1173 CA LEU A 75 -2.091 -2.939 -4.618 1.00 0.49 C ATOM 1174 C LEU A 75 -0.799 -2.344 -5.174 1.00 0.46 C ATOM 1175 O LEU A 75 -0.788 -1.779 -6.268 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.635 -2.045 -3.503 1.00 0.64 C ATOM 1177 CG LEU A 75 -3.120 -0.666 -3.950 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -4.163 -0.130 -2.982 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -1.949 0.299 -4.063 1.00 1.32 C ATOM 0 H LEU A 75 -1.285 -4.347 -3.290 1.00 0.40 H new ATOM 0 HA LEU A 75 -2.816 -2.992 -5.430 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -3.461 -2.562 -3.016 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -1.855 -1.912 -2.753 1.00 0.64 H new ATOM 0 HG LEU A 75 -3.581 -0.763 -4.933 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -4.498 0.852 -3.315 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -5.013 -0.811 -2.949 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -3.727 -0.047 -1.987 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.312 1.276 -4.382 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -1.460 0.393 -3.093 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -1.235 -0.079 -4.794 1.00 1.32 H new ATOM 1191 N VAL A 76 0.287 -2.465 -4.417 1.00 0.32 N ATOM 1192 CA VAL A 76 1.577 -1.926 -4.846 1.00 0.29 C ATOM 1193 C VAL A 76 2.722 -2.868 -4.488 1.00 0.27 C ATOM 1194 O VAL A 76 2.620 -3.643 -3.542 1.00 0.35 O ATOM 1195 CB VAL A 76 1.842 -0.544 -4.206 1.00 0.36 C ATOM 1196 CG1 VAL A 76 1.697 -0.623 -2.696 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.223 -0.017 -4.579 1.00 0.47 C ATOM 0 H VAL A 76 0.302 -2.928 -3.508 1.00 0.32 H new ATOM 0 HA VAL A 76 1.531 -1.820 -5.930 1.00 0.29 H new ATOM 0 HB VAL A 76 1.100 0.153 -4.595 1.00 0.36 H new ATOM 0 HG11 VAL A 76 1.887 0.358 -2.260 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.686 -0.943 -2.444 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.414 -1.341 -2.299 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.379 0.956 -4.114 1.00 0.47 H new ATOM 0 HG22 VAL A 76 3.985 -0.713 -4.229 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.294 0.083 -5.662 1.00 0.47 H new ATOM 1207 N ASP A 77 3.816 -2.777 -5.243 1.00 0.30 N ATOM 1208 CA ASP A 77 4.993 -3.604 -4.995 1.00 0.41 C ATOM 1209 C ASP A 77 6.162 -2.720 -4.574 1.00 0.38 C ATOM 1210 O ASP A 77 6.515 -1.772 -5.275 1.00 0.41 O ATOM 1211 CB ASP A 77 5.379 -4.414 -6.239 1.00 0.58 C ATOM 1212 CG ASP A 77 4.195 -5.103 -6.897 1.00 0.78 C ATOM 1213 OD1 ASP A 77 3.044 -4.680 -6.659 1.00 0.87 O ATOM 1214 OD2 ASP A 77 4.421 -6.067 -7.657 1.00 1.10 O ATOM 0 H ASP A 77 3.910 -2.138 -6.032 1.00 0.30 H new ATOM 0 HA ASP A 77 4.753 -4.305 -4.196 1.00 0.41 H new ATOM 0 HB2 ASP A 77 5.854 -3.752 -6.963 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.119 -5.164 -5.961 1.00 0.58 H new ATOM 1219 N ILE A 78 6.744 -3.017 -3.420 1.00 0.44 N ATOM 1220 CA ILE A 78 7.855 -2.221 -2.905 1.00 0.42 C ATOM 1221 C ILE A 78 8.961 -3.102 -2.350 1.00 0.41 C ATOM 1222 O ILE A 78 8.695 -4.178 -1.830 1.00 0.51 O ATOM 1223 CB ILE A 78 7.388 -1.274 -1.784 1.00 0.42 C ATOM 1224 CG1 ILE A 78 5.974 -0.764 -2.070 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.362 -0.118 -1.623 1.00 0.48 C ATOM 1226 CD1 ILE A 78 4.898 -1.571 -1.378 1.00 0.86 C ATOM 0 H ILE A 78 6.469 -3.798 -2.824 1.00 0.44 H new ATOM 0 HA ILE A 78 8.236 -1.642 -3.746 1.00 0.42 H new ATOM 0 HB ILE A 78 7.365 -1.829 -0.846 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.899 0.276 -1.753 1.00 0.53 H new ATOM 0 HG13 ILE A 78 5.798 -0.783 -3.146 1.00 0.53 H new ATOM 0 HG21 ILE A 78 8.016 0.541 -0.827 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.349 -0.506 -1.370 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.421 0.441 -2.557 1.00 0.48 H new ATOM 0 HD11 ILE A 78 3.919 -1.157 -1.622 1.00 0.86 H new ATOM 0 HD12 ILE A 78 4.948 -2.607 -1.713 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.050 -1.531 -0.299 1.00 0.86 H new ATOM 1238 N GLU A 79 10.203 -2.639 -2.436 1.00 0.29 N ATOM 1239 CA GLU A 79 11.316 -3.413 -1.910 1.00 0.29 C ATOM 1240 C GLU A 79 11.709 -2.895 -0.534 1.00 0.47 C ATOM 1241 O GLU A 79 12.209 -1.781 -0.398 1.00 0.79 O ATOM 1242 CB GLU A 79 12.515 -3.333 -2.857 1.00 0.62 C ATOM 1243 CG GLU A 79 12.509 -4.399 -3.937 1.00 0.92 C ATOM 1244 CD GLU A 79 13.848 -5.097 -4.073 1.00 0.96 C ATOM 1245 OE1 GLU A 79 14.322 -5.675 -3.072 1.00 1.09 O ATOM 1246 OE2 GLU A 79 14.425 -5.064 -5.180 1.00 1.39 O ATOM 0 H GLU A 79 10.460 -1.747 -2.858 1.00 0.29 H new ATOM 0 HA GLU A 79 11.005 -4.454 -1.824 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.530 -2.350 -3.328 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.433 -3.422 -2.276 1.00 0.62 H new ATOM 0 HG2 GLU A 79 11.740 -5.137 -3.710 1.00 0.92 H new ATOM 0 HG3 GLU A 79 12.242 -3.944 -4.891 1.00 0.92 H new ATOM 1253 N THR A 80 11.478 -3.721 0.480 1.00 0.64 N ATOM 1254 CA THR A 80 11.800 -3.370 1.856 1.00 1.05 C ATOM 1255 C THR A 80 12.292 -4.593 2.622 1.00 1.00 C ATOM 1256 O THR A 80 11.977 -5.726 2.258 1.00 1.22 O ATOM 1257 CB THR A 80 10.586 -2.762 2.584 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.399 -3.491 2.250 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.409 -1.295 2.209 1.00 1.18 C ATOM 0 H THR A 80 11.065 -4.647 0.372 1.00 0.64 H new ATOM 0 HA THR A 80 12.592 -2.622 1.821 1.00 1.05 H new ATOM 0 HB THR A 80 10.763 -2.828 3.658 1.00 1.51 H new ATOM 0 HG1 THR A 80 8.632 -3.100 2.718 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.546 -0.887 2.735 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.302 -0.737 2.490 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.252 -1.211 1.134 1.00 1.18 H new ATOM 1267 N GLU A 81 13.052 -4.366 3.685 1.00 1.27 N ATOM 1268 CA GLU A 81 13.564 -5.465 4.494 1.00 1.30 C ATOM 1269 C GLU A 81 12.409 -6.314 5.016 1.00 1.99 C ATOM 1270 O GLU A 81 11.287 -5.826 5.155 1.00 2.56 O ATOM 1271 CB GLU A 81 14.388 -4.926 5.664 1.00 1.53 C ATOM 1272 CG GLU A 81 15.804 -4.526 5.281 1.00 1.62 C ATOM 1273 CD GLU A 81 16.810 -4.827 6.375 1.00 2.40 C ATOM 1274 OE1 GLU A 81 16.909 -4.025 7.328 1.00 2.85 O ATOM 1275 OE2 GLU A 81 17.498 -5.866 6.281 1.00 3.13 O ATOM 0 H GLU A 81 13.326 -3.438 4.006 1.00 1.27 H new ATOM 0 HA GLU A 81 14.207 -6.086 3.870 1.00 1.30 H new ATOM 0 HB2 GLU A 81 13.878 -4.061 6.088 1.00 1.53 H new ATOM 0 HB3 GLU A 81 14.433 -5.685 6.445 1.00 1.53 H new ATOM 0 HG2 GLU A 81 16.093 -5.053 4.371 1.00 1.62 H new ATOM 0 HG3 GLU A 81 15.828 -3.460 5.054 1.00 1.62 H new ATOM 1282 N ALA A 82 12.685 -7.589 5.294 1.00 2.01 N ATOM 1283 CA ALA A 82 11.666 -8.518 5.794 1.00 2.67 C ATOM 1284 C ALA A 82 10.724 -7.846 6.792 1.00 3.02 C ATOM 1285 O ALA A 82 11.131 -7.474 7.893 1.00 3.10 O ATOM 1286 CB ALA A 82 12.328 -9.731 6.430 1.00 2.85 C ATOM 0 H ALA A 82 13.609 -8.005 5.181 1.00 2.01 H new ATOM 0 HA ALA A 82 11.067 -8.840 4.942 1.00 2.67 H new ATOM 0 HB1 ALA A 82 11.561 -10.413 6.797 1.00 2.85 H new ATOM 0 HB2 ALA A 82 12.942 -10.241 5.688 1.00 2.85 H new ATOM 0 HB3 ALA A 82 12.956 -9.409 7.261 1.00 2.85 H new ATOM 1292 N LEU A 83 9.465 -7.687 6.392 1.00 3.31 N ATOM 1293 CA LEU A 83 8.465 -7.054 7.244 1.00 3.73 C ATOM 1294 C LEU A 83 7.334 -8.020 7.582 1.00 4.31 C ATOM 1295 O LEU A 83 6.952 -8.859 6.768 1.00 4.31 O ATOM 1296 CB LEU A 83 7.899 -5.807 6.562 1.00 3.56 C ATOM 1297 CG LEU A 83 8.483 -4.481 7.050 1.00 3.51 C ATOM 1298 CD1 LEU A 83 9.466 -3.923 6.032 1.00 3.49 C ATOM 1299 CD2 LEU A 83 7.370 -3.480 7.324 1.00 3.60 C ATOM 0 H LEU A 83 9.114 -7.988 5.483 1.00 3.31 H new ATOM 0 HA LEU A 83 8.955 -6.764 8.174 1.00 3.73 H new ATOM 0 HB2 LEU A 83 8.071 -5.889 5.489 1.00 3.56 H new ATOM 0 HB3 LEU A 83 6.819 -5.788 6.712 1.00 3.56 H new ATOM 0 HG LEU A 83 9.021 -4.662 7.981 1.00 3.51 H new ATOM 0 HD11 LEU A 83 9.871 -2.979 6.397 1.00 3.49 H new ATOM 0 HD12 LEU A 83 10.279 -4.634 5.884 1.00 3.49 H new ATOM 0 HD13 LEU A 83 8.953 -3.756 5.085 1.00 3.49 H new ATOM 0 HD21 LEU A 83 7.802 -2.541 7.671 1.00 3.60 H new ATOM 0 HD22 LEU A 83 6.806 -3.303 6.408 1.00 3.60 H new ATOM 0 HD23 LEU A 83 6.704 -3.877 8.090 1.00 3.60 H new ATOM 1311 N LYS A 84 6.805 -7.890 8.794 1.00 4.85 N ATOM 1312 CA LYS A 84 5.717 -8.742 9.262 1.00 5.44 C ATOM 1313 C LYS A 84 4.435 -8.509 8.461 1.00 5.34 C ATOM 1314 O LYS A 84 3.551 -9.365 8.442 1.00 5.61 O ATOM 1315 CB LYS A 84 5.454 -8.491 10.748 1.00 6.29 C ATOM 1316 CG LYS A 84 4.588 -9.554 11.402 1.00 6.80 C ATOM 1317 CD LYS A 84 4.570 -9.402 12.914 1.00 7.13 C ATOM 1318 CE LYS A 84 3.166 -9.135 13.431 1.00 7.72 C ATOM 1319 NZ LYS A 84 3.141 -8.026 14.424 1.00 8.33 N ATOM 0 H LYS A 84 7.115 -7.197 9.475 1.00 4.85 H new ATOM 0 HA LYS A 84 6.021 -9.778 9.116 1.00 5.44 H new ATOM 0 HB2 LYS A 84 6.408 -8.438 11.273 1.00 6.29 H new ATOM 0 HB3 LYS A 84 4.972 -7.520 10.864 1.00 6.29 H new ATOM 0 HG2 LYS A 84 3.571 -9.485 11.016 1.00 6.80 H new ATOM 0 HG3 LYS A 84 4.963 -10.543 11.139 1.00 6.80 H new ATOM 0 HD2 LYS A 84 4.963 -10.308 13.376 1.00 7.13 H new ATOM 0 HD3 LYS A 84 5.228 -8.584 13.206 1.00 7.13 H new ATOM 0 HE2 LYS A 84 2.512 -8.888 12.595 1.00 7.72 H new ATOM 0 HE3 LYS A 84 2.769 -10.041 13.889 1.00 7.72 H new ATOM 0 HZ1 LYS A 84 2.166 -7.876 14.752 1.00 8.33 H new ATOM 0 HZ2 LYS A 84 3.745 -8.272 15.234 1.00 8.33 H new ATOM 0 HZ3 LYS A 84 3.495 -7.155 13.980 1.00 8.33 H new ATOM 1333 N ASP A 85 4.341 -7.336 7.823 1.00 5.08 N ATOM 1334 CA ASP A 85 3.166 -6.949 7.022 1.00 5.19 C ATOM 1335 C ASP A 85 2.455 -8.148 6.388 1.00 4.88 C ATOM 1336 O ASP A 85 1.237 -8.283 6.497 1.00 5.42 O ATOM 1337 CB ASP A 85 3.583 -5.964 5.928 1.00 4.91 C ATOM 1338 CG ASP A 85 2.398 -5.240 5.319 1.00 5.75 C ATOM 1339 OD1 ASP A 85 1.460 -4.901 6.071 1.00 6.23 O ATOM 1340 OD2 ASP A 85 2.409 -5.013 4.091 1.00 6.12 O ATOM 0 H ASP A 85 5.074 -6.627 7.845 1.00 5.08 H new ATOM 0 HA ASP A 85 2.459 -6.480 7.706 1.00 5.19 H new ATOM 0 HB2 ASP A 85 4.276 -5.234 6.346 1.00 4.91 H new ATOM 0 HB3 ASP A 85 4.119 -6.500 5.145 1.00 4.91 H new ATOM 1345 N LEU A 86 3.219 -9.017 5.733 1.00 4.16 N ATOM 1346 CA LEU A 86 2.647 -10.199 5.094 1.00 3.99 C ATOM 1347 C LEU A 86 3.034 -11.466 5.850 1.00 4.35 C ATOM 1348 O LEU A 86 2.311 -12.461 5.827 1.00 4.39 O ATOM 1349 CB LEU A 86 3.108 -10.303 3.640 1.00 3.28 C ATOM 1350 CG LEU A 86 3.195 -8.972 2.888 1.00 2.93 C ATOM 1351 CD1 LEU A 86 4.648 -8.580 2.666 1.00 3.28 C ATOM 1352 CD2 LEU A 86 2.451 -9.058 1.561 1.00 2.54 C ATOM 0 H LEU A 86 4.230 -8.927 5.631 1.00 4.16 H new ATOM 0 HA LEU A 86 1.562 -10.097 5.114 1.00 3.99 H new ATOM 0 HB2 LEU A 86 4.089 -10.779 3.619 1.00 3.28 H new ATOM 0 HB3 LEU A 86 2.423 -10.961 3.104 1.00 3.28 H new ATOM 0 HG LEU A 86 2.721 -8.201 3.495 1.00 2.93 H new ATOM 0 HD11 LEU A 86 4.691 -7.632 2.130 1.00 3.28 H new ATOM 0 HD12 LEU A 86 5.148 -8.476 3.629 1.00 3.28 H new ATOM 0 HD13 LEU A 86 5.147 -9.351 2.079 1.00 3.28 H new ATOM 0 HD21 LEU A 86 2.524 -8.103 1.041 1.00 2.54 H new ATOM 0 HD22 LEU A 86 2.894 -9.841 0.946 1.00 2.54 H new ATOM 0 HD23 LEU A 86 1.403 -9.291 1.746 1.00 2.54 H new ATOM 1364 N GLU A 87 4.182 -11.420 6.518 1.00 4.90 N ATOM 1365 CA GLU A 87 4.670 -12.562 7.282 1.00 5.65 C ATOM 1366 C GLU A 87 4.820 -12.205 8.757 1.00 5.80 C ATOM 1367 O GLU A 87 3.862 -11.642 9.328 1.00 5.45 O ATOM 1368 CB GLU A 87 6.011 -13.045 6.720 1.00 6.27 C ATOM 1369 CG GLU A 87 6.878 -11.927 6.163 1.00 6.31 C ATOM 1370 CD GLU A 87 8.360 -12.236 6.260 1.00 7.17 C ATOM 1371 OE1 GLU A 87 8.839 -13.097 5.493 1.00 7.41 O ATOM 1372 OE2 GLU A 87 9.041 -11.615 7.103 1.00 7.79 O ATOM 0 H GLU A 87 4.792 -10.603 6.546 1.00 4.90 H new ATOM 0 HA GLU A 87 3.939 -13.366 7.195 1.00 5.65 H new ATOM 0 HB2 GLU A 87 6.560 -13.561 7.507 1.00 6.27 H new ATOM 0 HB3 GLU A 87 5.823 -13.774 5.932 1.00 6.27 H new ATOM 0 HG2 GLU A 87 6.614 -11.753 5.120 1.00 6.31 H new ATOM 0 HG3 GLU A 87 6.667 -11.004 6.704 1.00 6.31 H new TER 1379 GLU A 87