USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 849 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 ALA N :NH3+ 133:sc= 0.0296 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.373 K(o=-0.37,f=-3.5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00091 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 16 THR OG1 : rot 63:sc= 0.708 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-2.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -4.6! C(o=-4.6!,f=-6.1!) USER MOD Single : A 24 TYR OH : rot -146:sc= -0.998! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.094 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0773 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -5.54! C(o=-5.5!,f=-20!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 175:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.123 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.385 K(o=-0.38,f=-2.9!) USER MOD Single : A 78 TYR OH : rot 180:sc= -3! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -5.89! C(o=-5.9!,f=-6.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 90:sc= -2.22! USER MOD Single : A 91 SER OG : rot 106:sc= 0.466! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -1.51! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -81:sc= -0.599 USER MOD Single : A 100 THR OG1 : rot 50:sc= 0.288 USER MOD Single : A 102 HIS : no HE2:sc= -0.045 X(o=-0.045,f=-0.023) USER MOD Single : A 103 TYR OH : rot 2:sc= 0.575 USER MOD Single : A 104 GLN : amide:sc= -0.727 X(o=-0.73,f=-0.42) USER MOD Single : A 105 THR OG1 : rot -113:sc= -2.11! USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.861 13.682 7.398 1.00 0.00 N ATOM 2 CA ALA A 1 11.117 13.998 6.145 1.00 0.00 C ATOM 3 C ALA A 1 9.649 13.603 6.311 1.00 0.00 C ATOM 4 O ALA A 1 9.330 12.612 6.939 1.00 0.00 O ATOM 5 CB ALA A 1 11.726 13.216 4.980 1.00 0.00 C ATOM 0 H1 ALA A 1 12.745 13.187 7.162 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.083 14.564 7.902 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.275 13.074 8.005 1.00 0.00 H new ATOM 0 HA ALA A 1 11.185 15.067 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.183 13.446 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.773 13.496 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.657 12.147 5.184 1.00 0.00 H new ATOM 13 N GLN A 2 8.753 14.369 5.754 1.00 0.00 N ATOM 14 CA GLN A 2 7.306 14.037 5.881 1.00 0.00 C ATOM 15 C GLN A 2 6.734 13.717 4.498 1.00 0.00 C ATOM 16 O GLN A 2 6.454 14.601 3.713 1.00 0.00 O ATOM 17 CB GLN A 2 6.559 15.230 6.479 1.00 0.00 C ATOM 18 CG GLN A 2 5.336 14.731 7.250 1.00 0.00 C ATOM 19 CD GLN A 2 4.138 15.632 6.946 1.00 0.00 C ATOM 20 OE1 GLN A 2 3.646 16.324 7.817 1.00 0.00 O ATOM 21 NE2 GLN A 2 3.642 15.653 5.740 1.00 0.00 N ATOM 0 H GLN A 2 8.960 15.211 5.216 1.00 0.00 H new ATOM 0 HA GLN A 2 7.187 13.172 6.533 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.218 15.789 7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.250 15.913 5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.111 13.702 6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.543 14.732 8.320 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.054 15.073 5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.842 16.249 5.528 1.00 0.00 H new ATOM 30 N VAL A 3 6.557 12.460 4.196 1.00 0.00 N ATOM 31 CA VAL A 3 6.003 12.084 2.865 1.00 0.00 C ATOM 32 C VAL A 3 4.609 11.478 3.046 1.00 0.00 C ATOM 33 O VAL A 3 4.073 11.447 4.136 1.00 0.00 O ATOM 34 CB VAL A 3 6.921 11.058 2.201 1.00 0.00 C ATOM 35 CG1 VAL A 3 8.330 11.640 2.073 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.970 9.790 3.056 1.00 0.00 C ATOM 0 H VAL A 3 6.772 11.677 4.814 1.00 0.00 H new ATOM 0 HA VAL A 3 5.936 12.972 2.236 1.00 0.00 H new ATOM 0 HB VAL A 3 6.537 10.815 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.984 10.908 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.296 12.544 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.715 11.883 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.624 9.058 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.354 10.034 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.967 9.374 3.148 1.00 0.00 H new ATOM 46 N ILE A 4 4.020 10.995 1.987 1.00 0.00 N ATOM 47 CA ILE A 4 2.663 10.391 2.102 1.00 0.00 C ATOM 48 C ILE A 4 2.796 8.894 2.389 1.00 0.00 C ATOM 49 O ILE A 4 2.714 8.071 1.499 1.00 0.00 O ATOM 50 CB ILE A 4 1.900 10.592 0.791 1.00 0.00 C ATOM 51 CG1 ILE A 4 2.104 12.028 0.301 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.409 10.340 1.023 1.00 0.00 C ATOM 53 CD1 ILE A 4 1.489 13.004 1.306 1.00 0.00 C ATOM 0 H ILE A 4 4.419 10.992 1.048 1.00 0.00 H new ATOM 0 HA ILE A 4 2.119 10.872 2.915 1.00 0.00 H new ATOM 0 HB ILE A 4 2.273 9.894 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.168 12.235 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.642 12.158 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.134 10.483 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.263 9.319 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.034 11.038 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.635 14.026 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.422 12.802 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.971 12.880 2.276 1.00 0.00 H new ATOM 65 N ASN A 5 3.003 8.536 3.626 1.00 0.00 N ATOM 66 CA ASN A 5 3.143 7.093 3.968 1.00 0.00 C ATOM 67 C ASN A 5 2.217 6.756 5.139 1.00 0.00 C ATOM 68 O ASN A 5 2.639 6.206 6.138 1.00 0.00 O ATOM 69 CB ASN A 5 4.593 6.801 4.362 1.00 0.00 C ATOM 70 CG ASN A 5 4.930 7.544 5.656 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.765 8.746 5.740 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.401 6.877 6.673 1.00 0.00 N ATOM 0 H ASN A 5 3.081 9.179 4.414 1.00 0.00 H new ATOM 0 HA ASN A 5 2.873 6.485 3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.735 5.729 4.498 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.268 7.113 3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.631 7.363 7.539 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.539 5.869 6.602 1.00 0.00 H new ATOM 79 N THR A 6 0.959 7.080 5.025 1.00 0.00 N ATOM 80 CA THR A 6 0.009 6.776 6.131 1.00 0.00 C ATOM 81 C THR A 6 -1.361 6.427 5.545 1.00 0.00 C ATOM 82 O THR A 6 -1.562 6.456 4.348 1.00 0.00 O ATOM 83 CB THR A 6 -0.122 7.997 7.043 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.240 9.169 6.249 1.00 0.00 O ATOM 85 CG2 THR A 6 1.116 8.104 7.934 1.00 0.00 C ATOM 0 H THR A 6 0.548 7.542 4.214 1.00 0.00 H new ATOM 0 HA THR A 6 0.383 5.931 6.709 1.00 0.00 H new ATOM 0 HB THR A 6 -1.009 7.891 7.668 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.326 9.952 6.832 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.023 8.974 8.584 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.205 7.204 8.543 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.004 8.210 7.311 1.00 0.00 H new ATOM 93 N PHE A 7 -2.306 6.095 6.381 1.00 0.00 N ATOM 94 CA PHE A 7 -3.661 5.742 5.874 1.00 0.00 C ATOM 95 C PHE A 7 -4.394 7.011 5.435 1.00 0.00 C ATOM 96 O PHE A 7 -4.889 7.100 4.331 1.00 0.00 O ATOM 97 CB PHE A 7 -4.458 5.053 6.984 1.00 0.00 C ATOM 98 CG PHE A 7 -4.108 3.587 7.017 1.00 0.00 C ATOM 99 CD1 PHE A 7 -4.463 2.757 5.948 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.427 3.056 8.120 1.00 0.00 C ATOM 101 CE1 PHE A 7 -4.138 1.396 5.980 1.00 0.00 C ATOM 102 CE2 PHE A 7 -3.102 1.695 8.152 1.00 0.00 C ATOM 103 CZ PHE A 7 -3.457 0.865 7.082 1.00 0.00 C ATOM 0 H PHE A 7 -2.198 6.053 7.394 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.563 5.068 5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.234 5.513 7.946 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.527 5.179 6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.988 3.167 5.098 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.153 3.696 8.945 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.412 0.756 5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.577 1.285 9.002 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.206 -0.185 7.107 1.00 0.00 H new ATOM 113 N ASP A 8 -4.475 7.991 6.292 1.00 0.00 N ATOM 114 CA ASP A 8 -5.180 9.251 5.921 1.00 0.00 C ATOM 115 C ASP A 8 -4.354 10.029 4.892 1.00 0.00 C ATOM 116 O ASP A 8 -4.888 10.676 4.012 1.00 0.00 O ATOM 117 CB ASP A 8 -5.374 10.113 7.170 1.00 0.00 C ATOM 118 CG ASP A 8 -6.848 10.093 7.582 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.610 10.862 7.018 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.190 9.310 8.453 1.00 0.00 O ATOM 0 H ASP A 8 -4.083 7.974 7.234 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.150 9.003 5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.753 9.738 7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.055 11.136 6.972 1.00 0.00 H new ATOM 125 N GLY A 9 -3.054 9.983 5.003 1.00 0.00 N ATOM 126 CA GLY A 9 -2.194 10.731 4.042 1.00 0.00 C ATOM 127 C GLY A 9 -2.297 10.104 2.653 1.00 0.00 C ATOM 128 O GLY A 9 -2.545 10.781 1.674 1.00 0.00 O ATOM 0 H GLY A 9 -2.550 9.459 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.502 11.776 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.158 10.717 4.381 1.00 0.00 H new ATOM 132 N VAL A 10 -2.102 8.820 2.554 1.00 0.00 N ATOM 133 CA VAL A 10 -2.184 8.159 1.221 1.00 0.00 C ATOM 134 C VAL A 10 -3.626 8.209 0.717 1.00 0.00 C ATOM 135 O VAL A 10 -3.875 8.415 -0.453 1.00 0.00 O ATOM 136 CB VAL A 10 -1.727 6.706 1.338 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.625 6.090 -0.058 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.357 6.657 2.017 1.00 0.00 C ATOM 0 H VAL A 10 -1.890 8.200 3.336 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.536 8.681 0.516 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.448 6.144 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.299 5.053 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.600 6.126 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.903 6.651 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.030 5.621 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.364 7.218 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.428 7.097 3.012 1.00 0.00 H new ATOM 148 N ALA A 11 -4.578 8.039 1.590 1.00 0.00 N ATOM 149 CA ALA A 11 -5.999 8.097 1.154 1.00 0.00 C ATOM 150 C ALA A 11 -6.264 9.487 0.578 1.00 0.00 C ATOM 151 O ALA A 11 -6.952 9.645 -0.412 1.00 0.00 O ATOM 152 CB ALA A 11 -6.916 7.857 2.355 1.00 0.00 C ATOM 0 H ALA A 11 -4.434 7.863 2.584 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.195 7.332 0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.956 7.900 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.708 6.875 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.737 8.624 3.108 1.00 0.00 H new ATOM 158 N ASP A 12 -5.704 10.495 1.189 1.00 0.00 N ATOM 159 CA ASP A 12 -5.900 11.880 0.684 1.00 0.00 C ATOM 160 C ASP A 12 -5.271 12.001 -0.703 1.00 0.00 C ATOM 161 O ASP A 12 -5.917 12.383 -1.658 1.00 0.00 O ATOM 162 CB ASP A 12 -5.220 12.866 1.633 1.00 0.00 C ATOM 163 CG ASP A 12 -6.283 13.596 2.456 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.141 12.926 3.007 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.222 14.813 2.522 1.00 0.00 O ATOM 0 H ASP A 12 -5.117 10.417 2.020 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.965 12.103 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.533 12.337 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.627 13.584 1.066 1.00 0.00 H new ATOM 170 N TYR A 13 -4.012 11.675 -0.823 1.00 0.00 N ATOM 171 CA TYR A 13 -3.346 11.771 -2.152 1.00 0.00 C ATOM 172 C TYR A 13 -4.061 10.848 -3.140 1.00 0.00 C ATOM 173 O TYR A 13 -3.976 11.020 -4.341 1.00 0.00 O ATOM 174 CB TYR A 13 -1.883 11.344 -2.023 1.00 0.00 C ATOM 175 CG TYR A 13 -1.120 11.794 -3.245 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.116 11.002 -4.399 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.414 13.004 -3.224 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.410 11.419 -5.532 1.00 0.00 C ATOM 179 CE2 TYR A 13 0.293 13.422 -4.357 1.00 0.00 C ATOM 180 CZ TYR A 13 0.295 12.629 -5.511 1.00 0.00 C ATOM 181 OH TYR A 13 0.992 13.040 -6.630 1.00 0.00 O ATOM 0 H TYR A 13 -3.419 11.348 -0.061 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.392 12.799 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.443 11.779 -1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.817 10.261 -1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.658 10.068 -4.415 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.415 13.614 -2.333 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.408 10.808 -6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.836 14.355 -4.341 1.00 0.00 H new ATOM 0 HH TYR A 13 1.424 13.901 -6.448 1.00 0.00 H new ATOM 191 N LEU A 14 -4.768 9.871 -2.640 1.00 0.00 N ATOM 192 CA LEU A 14 -5.494 8.932 -3.539 1.00 0.00 C ATOM 193 C LEU A 14 -6.703 9.645 -4.141 1.00 0.00 C ATOM 194 O LEU A 14 -6.790 9.835 -5.333 1.00 0.00 O ATOM 195 CB LEU A 14 -5.963 7.719 -2.731 1.00 0.00 C ATOM 196 CG LEU A 14 -4.951 6.579 -2.879 1.00 0.00 C ATOM 197 CD1 LEU A 14 -4.937 5.742 -1.598 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.352 5.689 -4.058 1.00 0.00 C ATOM 0 H LEU A 14 -4.874 9.683 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.832 8.601 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.070 7.989 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.944 7.395 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.960 6.996 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.217 4.930 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.654 6.372 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.930 5.327 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.632 4.878 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.343 5.273 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.367 6.282 -4.973 1.00 0.00 H new ATOM 210 N GLN A 15 -7.639 10.044 -3.327 1.00 0.00 N ATOM 211 CA GLN A 15 -8.836 10.752 -3.865 1.00 0.00 C ATOM 212 C GLN A 15 -8.430 12.153 -4.336 1.00 0.00 C ATOM 213 O GLN A 15 -9.205 12.861 -4.946 1.00 0.00 O ATOM 214 CB GLN A 15 -9.896 10.866 -2.767 1.00 0.00 C ATOM 215 CG GLN A 15 -9.461 11.919 -1.746 1.00 0.00 C ATOM 216 CD GLN A 15 -10.582 12.137 -0.728 1.00 0.00 C ATOM 217 OE1 GLN A 15 -10.856 13.254 -0.339 1.00 0.00 O ATOM 218 NE2 GLN A 15 -11.246 11.108 -0.277 1.00 0.00 N ATOM 0 H GLN A 15 -7.629 9.912 -2.316 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.245 10.192 -4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.857 11.141 -3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.032 9.902 -2.276 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.552 11.595 -1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.227 12.856 -2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.016 10.170 -0.604 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.995 11.242 0.402 1.00 0.00 H new ATOM 227 N THR A 16 -7.222 12.559 -4.047 1.00 0.00 N ATOM 228 CA THR A 16 -6.768 13.916 -4.467 1.00 0.00 C ATOM 229 C THR A 16 -6.154 13.853 -5.860 1.00 0.00 C ATOM 230 O THR A 16 -6.687 14.382 -6.816 1.00 0.00 O ATOM 231 CB THR A 16 -5.726 14.435 -3.473 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.334 14.615 -2.202 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.167 15.770 -3.968 1.00 0.00 C ATOM 0 H THR A 16 -6.530 12.009 -3.538 1.00 0.00 H new ATOM 0 HA THR A 16 -7.625 14.589 -4.485 1.00 0.00 H new ATOM 0 HB THR A 16 -4.914 13.713 -3.388 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.653 13.751 -1.867 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.425 16.139 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.700 15.630 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.977 16.494 -4.055 1.00 0.00 H new ATOM 241 N TYR A 17 -5.036 13.210 -5.977 1.00 0.00 N ATOM 242 CA TYR A 17 -4.367 13.105 -7.305 1.00 0.00 C ATOM 243 C TYR A 17 -4.875 11.861 -8.037 1.00 0.00 C ATOM 244 O TYR A 17 -4.509 11.600 -9.165 1.00 0.00 O ATOM 245 CB TYR A 17 -2.853 12.998 -7.107 1.00 0.00 C ATOM 246 CG TYR A 17 -2.317 14.314 -6.598 1.00 0.00 C ATOM 247 CD1 TYR A 17 -1.899 15.298 -7.502 1.00 0.00 C ATOM 248 CD2 TYR A 17 -2.239 14.551 -5.220 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.402 16.518 -7.028 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.742 15.771 -4.747 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.323 16.754 -5.651 1.00 0.00 C ATOM 252 OH TYR A 17 -0.834 17.957 -5.184 1.00 0.00 O ATOM 0 H TYR A 17 -4.549 12.748 -5.209 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.594 13.992 -7.896 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.624 12.202 -6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.370 12.736 -8.049 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.960 15.116 -8.565 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.562 13.793 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.080 17.277 -7.725 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.682 15.954 -3.684 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.848 17.958 -4.204 1.00 0.00 H new ATOM 262 N HIS A 18 -5.720 11.097 -7.404 1.00 0.00 N ATOM 263 CA HIS A 18 -6.259 9.873 -8.061 1.00 0.00 C ATOM 264 C HIS A 18 -5.104 9.003 -8.561 1.00 0.00 C ATOM 265 O HIS A 18 -5.049 8.626 -9.714 1.00 0.00 O ATOM 266 CB HIS A 18 -7.156 10.285 -9.227 1.00 0.00 C ATOM 267 CG HIS A 18 -8.415 10.899 -8.679 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.606 10.904 -9.387 1.00 0.00 N ATOM 269 CD2 HIS A 18 -8.686 11.523 -7.485 1.00 0.00 C ATOM 270 CE1 HIS A 18 -10.531 11.512 -8.620 1.00 0.00 C ATOM 271 NE2 HIS A 18 -10.022 11.908 -7.450 1.00 0.00 N ATOM 0 H HIS A 18 -6.062 11.267 -6.458 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.844 9.296 -7.344 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.637 10.997 -9.868 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.396 9.418 -9.843 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.970 11.689 -6.694 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.559 11.661 -8.915 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.509 12.389 -6.694 1.00 0.00 H new ATOM 279 N LYS A 19 -4.189 8.678 -7.689 1.00 0.00 N ATOM 280 CA LYS A 19 -3.028 7.825 -8.080 1.00 0.00 C ATOM 281 C LYS A 19 -1.976 7.888 -6.973 1.00 0.00 C ATOM 282 O LYS A 19 -1.591 8.955 -6.535 1.00 0.00 O ATOM 283 CB LYS A 19 -2.417 8.337 -9.387 1.00 0.00 C ATOM 284 CG LYS A 19 -2.176 9.845 -9.285 1.00 0.00 C ATOM 285 CD LYS A 19 -0.805 10.184 -9.874 1.00 0.00 C ATOM 286 CE LYS A 19 -0.944 11.353 -10.852 1.00 0.00 C ATOM 287 NZ LYS A 19 -0.701 10.870 -12.242 1.00 0.00 N ATOM 0 H LYS A 19 -4.196 8.970 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.364 6.798 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.478 7.821 -9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.084 8.121 -10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.957 10.386 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.225 10.162 -8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.109 10.444 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.392 9.315 -10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.940 11.788 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.233 12.139 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.795 11.664 -12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.258 10.474 -12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.396 10.134 -12.480 1.00 0.00 H new ATOM 301 N LEU A 20 -1.506 6.760 -6.514 1.00 0.00 N ATOM 302 CA LEU A 20 -0.479 6.773 -5.433 1.00 0.00 C ATOM 303 C LEU A 20 0.574 7.838 -5.751 1.00 0.00 C ATOM 304 O LEU A 20 0.867 8.088 -6.904 1.00 0.00 O ATOM 305 CB LEU A 20 0.197 5.401 -5.343 1.00 0.00 C ATOM 306 CG LEU A 20 -0.851 4.326 -5.055 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.154 2.978 -4.855 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.622 4.692 -3.786 1.00 0.00 C ATOM 0 H LEU A 20 -1.787 5.835 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.959 7.000 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.713 5.178 -6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.951 5.408 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.543 4.259 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.900 2.210 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.397 2.716 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.537 3.047 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.369 3.926 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.930 4.759 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.117 5.653 -3.925 1.00 0.00 H new ATOM 320 N PRO A 21 1.113 8.433 -4.721 1.00 0.00 N ATOM 321 CA PRO A 21 2.141 9.477 -4.866 1.00 0.00 C ATOM 322 C PRO A 21 3.290 8.979 -5.740 1.00 0.00 C ATOM 323 O PRO A 21 3.456 7.794 -5.951 1.00 0.00 O ATOM 324 CB PRO A 21 2.630 9.743 -3.438 1.00 0.00 C ATOM 325 CG PRO A 21 1.683 8.983 -2.472 1.00 0.00 C ATOM 326 CD PRO A 21 0.747 8.114 -3.329 1.00 0.00 C ATOM 0 HA PRO A 21 1.752 10.376 -5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.658 9.402 -3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.621 10.811 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.256 8.364 -1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.108 9.685 -1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.885 7.054 -3.116 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.300 8.345 -3.132 1.00 0.00 H new ATOM 334 N ASP A 22 4.095 9.876 -6.239 1.00 0.00 N ATOM 335 CA ASP A 22 5.242 9.453 -7.085 1.00 0.00 C ATOM 336 C ASP A 22 6.269 8.736 -6.209 1.00 0.00 C ATOM 337 O ASP A 22 7.239 8.190 -6.694 1.00 0.00 O ATOM 338 CB ASP A 22 5.886 10.680 -7.731 1.00 0.00 C ATOM 339 CG ASP A 22 4.806 11.530 -8.404 1.00 0.00 C ATOM 340 OD1 ASP A 22 4.019 10.970 -9.149 1.00 0.00 O ATOM 341 OD2 ASP A 22 4.784 12.725 -8.162 1.00 0.00 O ATOM 0 H ASP A 22 4.007 10.882 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 22 4.892 8.781 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.409 11.268 -6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.629 10.369 -8.465 1.00 0.00 H new ATOM 346 N ASN A 23 6.061 8.732 -4.919 1.00 0.00 N ATOM 347 CA ASN A 23 7.026 8.047 -4.016 1.00 0.00 C ATOM 348 C ASN A 23 6.554 6.614 -3.757 1.00 0.00 C ATOM 349 O ASN A 23 7.115 5.904 -2.947 1.00 0.00 O ATOM 350 CB ASN A 23 7.118 8.805 -2.688 1.00 0.00 C ATOM 351 CG ASN A 23 5.724 9.271 -2.264 1.00 0.00 C ATOM 352 OD1 ASN A 23 5.327 10.381 -2.561 1.00 0.00 O ATOM 353 ND2 ASN A 23 4.960 8.467 -1.579 1.00 0.00 N ATOM 0 H ASN A 23 5.267 9.172 -4.455 1.00 0.00 H new ATOM 0 HA ASN A 23 8.009 8.026 -4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.546 8.162 -1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.783 9.663 -2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.029 8.769 -1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.293 7.536 -1.330 1.00 0.00 H new ATOM 360 N TYR A 24 5.527 6.179 -4.440 1.00 0.00 N ATOM 361 CA TYR A 24 5.031 4.790 -4.227 1.00 0.00 C ATOM 362 C TYR A 24 5.612 3.869 -5.300 1.00 0.00 C ATOM 363 O TYR A 24 5.130 3.815 -6.414 1.00 0.00 O ATOM 364 CB TYR A 24 3.504 4.759 -4.311 1.00 0.00 C ATOM 365 CG TYR A 24 2.929 4.695 -2.917 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.697 5.875 -2.203 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.634 3.456 -2.335 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.169 5.819 -0.909 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.108 3.399 -1.039 1.00 0.00 C ATOM 370 CZ TYR A 24 1.875 4.581 -0.326 1.00 0.00 C ATOM 371 OH TYR A 24 1.355 4.524 0.951 1.00 0.00 O ATOM 0 H TYR A 24 5.013 6.724 -5.133 1.00 0.00 H new ATOM 0 HA TYR A 24 5.344 4.451 -3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.139 5.647 -4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.178 3.896 -4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.926 6.831 -2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.812 2.544 -2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.988 6.731 -0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.882 2.443 -0.589 1.00 0.00 H new ATOM 0 HH TYR A 24 1.686 3.720 1.404 1.00 0.00 H new ATOM 381 N ILE A 25 6.640 3.138 -4.971 1.00 0.00 N ATOM 382 CA ILE A 25 7.245 2.214 -5.969 1.00 0.00 C ATOM 383 C ILE A 25 6.900 0.774 -5.587 1.00 0.00 C ATOM 384 O ILE A 25 7.259 0.300 -4.528 1.00 0.00 O ATOM 385 CB ILE A 25 8.766 2.393 -5.984 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.325 2.153 -4.580 1.00 0.00 C ATOM 387 CG2 ILE A 25 9.109 3.816 -6.431 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.390 1.057 -4.635 1.00 0.00 C ATOM 0 H ILE A 25 7.087 3.141 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 25 6.852 2.436 -6.961 1.00 0.00 H new ATOM 0 HB ILE A 25 9.207 1.677 -6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.756 3.074 -4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.522 1.861 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.192 3.943 -6.442 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.714 3.988 -7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.666 4.532 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.788 0.886 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.945 0.136 -5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.197 1.367 -5.299 1.00 0.00 H new ATOM 400 N THR A 26 6.201 0.074 -6.436 1.00 0.00 N ATOM 401 CA THR A 26 5.834 -1.332 -6.113 1.00 0.00 C ATOM 402 C THR A 26 7.059 -2.062 -5.562 1.00 0.00 C ATOM 403 O THR A 26 8.162 -1.555 -5.595 1.00 0.00 O ATOM 404 CB THR A 26 5.346 -2.037 -7.378 1.00 0.00 C ATOM 405 OG1 THR A 26 6.452 -2.294 -8.231 1.00 0.00 O ATOM 406 CG2 THR A 26 4.334 -1.149 -8.101 1.00 0.00 C ATOM 0 H THR A 26 5.869 0.414 -7.338 1.00 0.00 H new ATOM 0 HA THR A 26 5.040 -1.338 -5.367 1.00 0.00 H new ATOM 0 HB THR A 26 4.869 -2.979 -7.109 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.141 -2.748 -9.042 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.987 -1.653 -9.003 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.486 -0.955 -7.444 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.807 -0.205 -8.372 1.00 0.00 H new ATOM 414 N LYS A 27 6.879 -3.251 -5.057 1.00 0.00 N ATOM 415 CA LYS A 27 8.052 -3.997 -4.509 1.00 0.00 C ATOM 416 C LYS A 27 9.012 -4.323 -5.648 1.00 0.00 C ATOM 417 O LYS A 27 10.206 -4.142 -5.532 1.00 0.00 O ATOM 418 CB LYS A 27 7.633 -5.307 -3.820 1.00 0.00 C ATOM 419 CG LYS A 27 6.109 -5.426 -3.729 1.00 0.00 C ATOM 420 CD LYS A 27 5.740 -6.709 -2.980 1.00 0.00 C ATOM 421 CE LYS A 27 4.435 -6.493 -2.210 1.00 0.00 C ATOM 422 NZ LYS A 27 3.551 -7.679 -2.388 1.00 0.00 N ATOM 0 H LYS A 27 5.983 -3.736 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 27 8.531 -3.363 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.034 -6.156 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.063 -5.348 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.696 -4.559 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.674 -5.438 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.627 -7.534 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.539 -6.984 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.646 -6.339 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.933 -5.595 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.664 -7.533 -1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.340 -7.806 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.031 -8.527 -2.025 1.00 0.00 H new ATOM 436 N SER A 28 8.506 -4.794 -6.756 1.00 0.00 N ATOM 437 CA SER A 28 9.408 -5.113 -7.896 1.00 0.00 C ATOM 438 C SER A 28 10.236 -3.871 -8.214 1.00 0.00 C ATOM 439 O SER A 28 11.418 -3.947 -8.500 1.00 0.00 O ATOM 440 CB SER A 28 8.575 -5.503 -9.118 1.00 0.00 C ATOM 441 OG SER A 28 8.275 -6.892 -9.057 1.00 0.00 O ATOM 0 H SER A 28 7.515 -4.970 -6.919 1.00 0.00 H new ATOM 0 HA SER A 28 10.063 -5.945 -7.636 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.654 -4.921 -9.146 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.122 -5.277 -10.033 1.00 0.00 H new ATOM 0 HG SER A 28 7.740 -7.146 -9.838 1.00 0.00 H new ATOM 447 N GLU A 29 9.622 -2.723 -8.149 1.00 0.00 N ATOM 448 CA GLU A 29 10.367 -1.469 -8.430 1.00 0.00 C ATOM 449 C GLU A 29 11.524 -1.353 -7.442 1.00 0.00 C ATOM 450 O GLU A 29 12.615 -0.959 -7.798 1.00 0.00 O ATOM 451 CB GLU A 29 9.431 -0.268 -8.269 1.00 0.00 C ATOM 452 CG GLU A 29 8.733 0.019 -9.602 1.00 0.00 C ATOM 453 CD GLU A 29 7.700 1.131 -9.408 1.00 0.00 C ATOM 454 OE1 GLU A 29 8.069 2.172 -8.890 1.00 0.00 O ATOM 455 OE2 GLU A 29 6.557 0.922 -9.782 1.00 0.00 O ATOM 0 H GLU A 29 8.637 -2.601 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 29 10.751 -1.487 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.691 -0.472 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.996 0.606 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.466 0.316 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.246 -0.884 -9.972 1.00 0.00 H new ATOM 462 N ALA A 30 11.303 -1.707 -6.204 1.00 0.00 N ATOM 463 CA ALA A 30 12.408 -1.624 -5.213 1.00 0.00 C ATOM 464 C ALA A 30 13.472 -2.655 -5.581 1.00 0.00 C ATOM 465 O ALA A 30 14.654 -2.431 -5.412 1.00 0.00 O ATOM 466 CB ALA A 30 11.867 -1.911 -3.813 1.00 0.00 C ATOM 0 H ALA A 30 10.412 -2.047 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 30 12.843 -0.625 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.680 -1.849 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.101 -1.178 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.434 -2.911 -3.788 1.00 0.00 H new ATOM 472 N GLN A 31 13.063 -3.780 -6.100 1.00 0.00 N ATOM 473 CA GLN A 31 14.052 -4.817 -6.494 1.00 0.00 C ATOM 474 C GLN A 31 14.919 -4.256 -7.616 1.00 0.00 C ATOM 475 O GLN A 31 16.099 -4.531 -7.700 1.00 0.00 O ATOM 476 CB GLN A 31 13.318 -6.067 -6.986 1.00 0.00 C ATOM 477 CG GLN A 31 12.713 -6.805 -5.789 1.00 0.00 C ATOM 478 CD GLN A 31 12.758 -8.314 -6.040 1.00 0.00 C ATOM 479 OE1 GLN A 31 11.830 -8.878 -6.582 1.00 0.00 O ATOM 480 NE2 GLN A 31 13.807 -8.994 -5.665 1.00 0.00 N ATOM 0 H GLN A 31 12.087 -4.024 -6.267 1.00 0.00 H new ATOM 0 HA GLN A 31 14.674 -5.086 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.534 -5.788 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.008 -6.721 -7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.265 -6.561 -4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.684 -6.483 -5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.586 -8.519 -5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.847 -10.000 -5.827 1.00 0.00 H new ATOM 489 N ALA A 32 14.343 -3.462 -8.478 1.00 0.00 N ATOM 490 CA ALA A 32 15.135 -2.877 -9.587 1.00 0.00 C ATOM 491 C ALA A 32 16.280 -2.051 -9.007 1.00 0.00 C ATOM 492 O ALA A 32 17.363 -1.985 -9.555 1.00 0.00 O ATOM 493 CB ALA A 32 14.238 -1.980 -10.442 1.00 0.00 C ATOM 0 H ALA A 32 13.359 -3.196 -8.459 1.00 0.00 H new ATOM 0 HA ALA A 32 15.539 -3.677 -10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.822 -1.551 -11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.420 -2.571 -10.854 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.832 -1.178 -9.826 1.00 0.00 H new ATOM 499 N LEU A 33 16.036 -1.420 -7.900 1.00 0.00 N ATOM 500 CA LEU A 33 17.087 -0.582 -7.256 1.00 0.00 C ATOM 501 C LEU A 33 18.042 -1.459 -6.448 1.00 0.00 C ATOM 502 O LEU A 33 19.122 -1.045 -6.078 1.00 0.00 O ATOM 503 CB LEU A 33 16.410 0.432 -6.346 1.00 0.00 C ATOM 504 CG LEU A 33 15.718 1.470 -7.221 1.00 0.00 C ATOM 505 CD1 LEU A 33 14.217 1.184 -7.269 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.971 2.858 -6.644 1.00 0.00 C ATOM 0 H LEU A 33 15.145 -1.446 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 33 17.665 -0.065 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.686 -0.062 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.144 0.910 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 33 16.116 1.423 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.725 1.928 -7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.049 0.191 -7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.806 1.229 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.478 3.606 -7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.573 2.909 -5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.043 3.053 -6.623 1.00 0.00 H new ATOM 518 N GLY A 34 17.650 -2.668 -6.175 1.00 0.00 N ATOM 519 CA GLY A 34 18.532 -3.581 -5.392 1.00 0.00 C ATOM 520 C GLY A 34 17.925 -3.827 -4.008 1.00 0.00 C ATOM 521 O GLY A 34 18.627 -3.935 -3.023 1.00 0.00 O ATOM 0 H GLY A 34 16.756 -3.067 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.652 -4.527 -5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.525 -3.144 -5.291 1.00 0.00 H new ATOM 525 N TRP A 35 16.625 -3.918 -3.925 1.00 0.00 N ATOM 526 CA TRP A 35 15.977 -4.159 -2.606 1.00 0.00 C ATOM 527 C TRP A 35 15.579 -5.636 -2.504 1.00 0.00 C ATOM 528 O TRP A 35 14.849 -6.151 -3.327 1.00 0.00 O ATOM 529 CB TRP A 35 14.736 -3.257 -2.482 1.00 0.00 C ATOM 530 CG TRP A 35 13.713 -3.870 -1.569 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.744 -3.823 -0.218 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.508 -4.610 -1.924 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.636 -4.487 0.279 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.845 -4.990 -0.734 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.933 -4.986 -3.150 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.652 -5.715 -0.761 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.733 -5.717 -3.181 1.00 0.00 C ATOM 538 CH2 TRP A 35 10.094 -6.079 -1.989 1.00 0.00 C ATOM 0 H TRP A 35 15.984 -3.836 -4.715 1.00 0.00 H new ATOM 0 HA TRP A 35 16.668 -3.923 -1.797 1.00 0.00 H new ATOM 0 HB2 TRP A 35 15.030 -2.279 -2.100 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.299 -3.096 -3.468 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.509 -3.345 0.376 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.429 -4.592 1.272 1.00 0.00 H new ATOM 0 HE3 TRP A 35 12.417 -4.711 -4.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.164 -5.993 0.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 10.301 -6.001 -4.129 1.00 0.00 H new ATOM 0 HH2 TRP A 35 9.171 -6.639 -2.019 1.00 0.00 H new ATOM 549 N VAL A 36 16.051 -6.316 -1.496 1.00 0.00 N ATOM 550 CA VAL A 36 15.694 -7.752 -1.339 1.00 0.00 C ATOM 551 C VAL A 36 14.415 -7.853 -0.508 1.00 0.00 C ATOM 552 O VAL A 36 14.364 -7.421 0.625 1.00 0.00 O ATOM 553 CB VAL A 36 16.829 -8.488 -0.626 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.556 -9.993 -0.653 1.00 0.00 C ATOM 555 CG2 VAL A 36 18.151 -8.195 -1.338 1.00 0.00 C ATOM 0 H VAL A 36 16.667 -5.939 -0.776 1.00 0.00 H new ATOM 0 HA VAL A 36 15.537 -8.204 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 36 16.891 -8.149 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.365 -10.519 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.613 -10.201 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.495 -10.333 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.961 -8.719 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.090 -8.534 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.345 -7.122 -1.319 1.00 0.00 H new ATOM 565 N ALA A 37 13.376 -8.410 -1.066 1.00 0.00 N ATOM 566 CA ALA A 37 12.100 -8.524 -0.310 1.00 0.00 C ATOM 567 C ALA A 37 12.278 -9.489 0.865 1.00 0.00 C ATOM 568 O ALA A 37 11.708 -9.305 1.921 1.00 0.00 O ATOM 569 CB ALA A 37 11.003 -9.046 -1.238 1.00 0.00 C ATOM 0 H ALA A 37 13.356 -8.791 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 37 11.819 -7.542 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.068 -9.130 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.871 -8.355 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.287 -10.026 -1.621 1.00 0.00 H new ATOM 575 N SER A 38 13.063 -10.516 0.691 1.00 0.00 N ATOM 576 CA SER A 38 13.270 -11.490 1.802 1.00 0.00 C ATOM 577 C SER A 38 14.148 -10.856 2.882 1.00 0.00 C ATOM 578 O SER A 38 13.888 -10.985 4.061 1.00 0.00 O ATOM 579 CB SER A 38 13.954 -12.746 1.260 1.00 0.00 C ATOM 580 OG SER A 38 14.642 -12.426 0.058 1.00 0.00 O ATOM 0 H SER A 38 13.569 -10.724 -0.170 1.00 0.00 H new ATOM 0 HA SER A 38 12.305 -11.759 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.652 -13.141 1.998 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.214 -13.524 1.073 1.00 0.00 H new ATOM 0 HG SER A 38 15.083 -13.229 -0.290 1.00 0.00 H new ATOM 586 N LYS A 39 15.190 -10.173 2.490 1.00 0.00 N ATOM 587 CA LYS A 39 16.083 -9.533 3.498 1.00 0.00 C ATOM 588 C LYS A 39 15.495 -8.185 3.923 1.00 0.00 C ATOM 589 O LYS A 39 15.971 -7.554 4.844 1.00 0.00 O ATOM 590 CB LYS A 39 17.469 -9.315 2.885 1.00 0.00 C ATOM 591 CG LYS A 39 18.391 -10.468 3.286 1.00 0.00 C ATOM 592 CD LYS A 39 19.838 -9.970 3.350 1.00 0.00 C ATOM 593 CE LYS A 39 20.724 -10.858 2.475 1.00 0.00 C ATOM 594 NZ LYS A 39 22.023 -10.172 2.224 1.00 0.00 N ATOM 0 H LYS A 39 15.461 -10.031 1.517 1.00 0.00 H new ATOM 0 HA LYS A 39 16.168 -10.181 4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.393 -9.257 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.885 -8.367 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.090 -10.868 4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.307 -11.282 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.893 -8.936 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.194 -9.986 4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.896 -11.816 2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.224 -11.070 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 22.625 -10.776 1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.850 -9.269 1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 22.501 -9.992 3.130 1.00 0.00 H new ATOM 608 N GLY A 40 14.460 -7.740 3.259 1.00 0.00 N ATOM 609 CA GLY A 40 13.841 -6.434 3.625 1.00 0.00 C ATOM 610 C GLY A 40 14.934 -5.380 3.817 1.00 0.00 C ATOM 611 O GLY A 40 15.527 -5.272 4.872 1.00 0.00 O ATOM 0 H GLY A 40 14.017 -8.226 2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.150 -6.117 2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.260 -6.540 4.541 1.00 0.00 H new ATOM 615 N ASN A 41 15.206 -4.601 2.806 1.00 0.00 N ATOM 616 CA ASN A 41 16.263 -3.558 2.936 1.00 0.00 C ATOM 617 C ASN A 41 15.879 -2.329 2.109 1.00 0.00 C ATOM 618 O ASN A 41 16.700 -1.750 1.424 1.00 0.00 O ATOM 619 CB ASN A 41 17.593 -4.117 2.429 1.00 0.00 C ATOM 620 CG ASN A 41 17.521 -4.310 0.913 1.00 0.00 C ATOM 621 OD1 ASN A 41 16.503 -4.048 0.302 1.00 0.00 O ATOM 622 ND2 ASN A 41 18.565 -4.762 0.274 1.00 0.00 N ATOM 0 H ASN A 41 14.743 -4.641 1.898 1.00 0.00 H new ATOM 0 HA ASN A 41 16.362 -3.272 3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.406 -3.436 2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 41 17.810 -5.067 2.917 1.00 0.00 H new ATOM 0 HD21 ASN A 41 18.526 -4.895 -0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 41 19.420 -4.982 0.785 1.00 0.00 H new ATOM 629 N LEU A 42 14.641 -1.923 2.167 1.00 0.00 N ATOM 630 CA LEU A 42 14.213 -0.731 1.382 1.00 0.00 C ATOM 631 C LEU A 42 14.910 0.512 1.931 1.00 0.00 C ATOM 632 O LEU A 42 15.521 1.267 1.206 1.00 0.00 O ATOM 633 CB LEU A 42 12.699 -0.554 1.504 1.00 0.00 C ATOM 634 CG LEU A 42 12.140 0.019 0.199 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.549 -0.875 -0.973 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.613 0.077 0.283 1.00 0.00 C ATOM 0 H LEU A 42 13.908 -2.364 2.723 1.00 0.00 H new ATOM 0 HA LEU A 42 14.480 -0.872 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.228 -1.512 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.467 0.113 2.334 1.00 0.00 H new ATOM 0 HG LEU A 42 12.538 1.022 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.150 -0.465 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.636 -0.920 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.153 -1.879 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.213 0.485 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.219 -0.927 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.318 0.715 1.116 1.00 0.00 H new ATOM 648 N ALA A 43 14.821 0.730 3.210 1.00 0.00 N ATOM 649 CA ALA A 43 15.478 1.926 3.810 1.00 0.00 C ATOM 650 C ALA A 43 16.969 1.933 3.451 1.00 0.00 C ATOM 651 O ALA A 43 17.639 2.938 3.577 1.00 0.00 O ATOM 652 CB ALA A 43 15.322 1.882 5.330 1.00 0.00 C ATOM 0 H ALA A 43 14.322 0.133 3.869 1.00 0.00 H new ATOM 0 HA ALA A 43 15.009 2.829 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.802 2.756 5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.263 1.881 5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.790 0.977 5.718 1.00 0.00 H new ATOM 658 N ASP A 44 17.496 0.820 3.015 1.00 0.00 N ATOM 659 CA ASP A 44 18.944 0.770 2.663 1.00 0.00 C ATOM 660 C ASP A 44 19.152 1.199 1.206 1.00 0.00 C ATOM 661 O ASP A 44 19.951 2.067 0.916 1.00 0.00 O ATOM 662 CB ASP A 44 19.462 -0.658 2.850 1.00 0.00 C ATOM 663 CG ASP A 44 19.710 -0.921 4.336 1.00 0.00 C ATOM 664 OD1 ASP A 44 18.748 -1.176 5.041 1.00 0.00 O ATOM 665 OD2 ASP A 44 20.859 -0.862 4.744 1.00 0.00 O ATOM 0 H ASP A 44 16.987 -0.055 2.888 1.00 0.00 H new ATOM 0 HA ASP A 44 19.491 1.452 3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.738 -1.373 2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 44 20.384 -0.798 2.286 1.00 0.00 H new ATOM 670 N VAL A 45 18.453 0.591 0.284 1.00 0.00 N ATOM 671 CA VAL A 45 18.635 0.962 -1.151 1.00 0.00 C ATOM 672 C VAL A 45 17.593 2.004 -1.567 1.00 0.00 C ATOM 673 O VAL A 45 17.915 3.003 -2.181 1.00 0.00 O ATOM 674 CB VAL A 45 18.480 -0.284 -2.024 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.484 -1.349 -1.579 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.058 -0.835 -1.881 1.00 0.00 C ATOM 0 H VAL A 45 17.767 -0.143 0.461 1.00 0.00 H new ATOM 0 HA VAL A 45 19.631 1.384 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 45 18.666 -0.021 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.373 -2.237 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.497 -0.959 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.299 -1.611 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.948 -1.723 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.872 -1.096 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.341 -0.078 -2.199 1.00 0.00 H new ATOM 686 N ALA A 46 16.350 1.784 -1.245 1.00 0.00 N ATOM 687 CA ALA A 46 15.294 2.763 -1.632 1.00 0.00 C ATOM 688 C ALA A 46 14.670 3.377 -0.374 1.00 0.00 C ATOM 689 O ALA A 46 13.592 2.991 0.031 1.00 0.00 O ATOM 690 CB ALA A 46 14.212 2.045 -2.442 1.00 0.00 C ATOM 0 H ALA A 46 16.018 0.968 -0.730 1.00 0.00 H new ATOM 0 HA ALA A 46 15.738 3.556 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.438 2.757 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.656 1.613 -3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.771 1.252 -1.838 1.00 0.00 H new ATOM 696 N PRO A 47 15.370 4.321 0.207 1.00 0.00 N ATOM 697 CA PRO A 47 14.902 5.010 1.424 1.00 0.00 C ATOM 698 C PRO A 47 13.609 5.777 1.133 1.00 0.00 C ATOM 699 O PRO A 47 13.345 6.164 0.011 1.00 0.00 O ATOM 700 CB PRO A 47 16.033 5.985 1.782 1.00 0.00 C ATOM 701 CG PRO A 47 17.132 5.852 0.697 1.00 0.00 C ATOM 702 CD PRO A 47 16.678 4.773 -0.298 1.00 0.00 C ATOM 0 HA PRO A 47 14.685 4.316 2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.658 7.008 1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.439 5.755 2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 47 17.283 6.803 0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.085 5.578 1.150 1.00 0.00 H new ATOM 0 HD2 PRO A 47 16.594 5.176 -1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.391 3.950 -0.341 1.00 0.00 H new ATOM 710 N GLY A 48 12.802 6.002 2.134 1.00 0.00 N ATOM 711 CA GLY A 48 11.529 6.744 1.915 1.00 0.00 C ATOM 712 C GLY A 48 10.856 6.246 0.635 1.00 0.00 C ATOM 713 O GLY A 48 10.692 6.981 -0.318 1.00 0.00 O ATOM 0 H GLY A 48 12.970 5.703 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.863 6.602 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.728 7.813 1.840 1.00 0.00 H new ATOM 717 N LYS A 49 10.464 5.003 0.605 1.00 0.00 N ATOM 718 CA LYS A 49 9.801 4.460 -0.614 1.00 0.00 C ATOM 719 C LYS A 49 8.569 3.652 -0.205 1.00 0.00 C ATOM 720 O LYS A 49 8.670 2.653 0.481 1.00 0.00 O ATOM 721 CB LYS A 49 10.781 3.560 -1.369 1.00 0.00 C ATOM 722 CG LYS A 49 11.883 4.420 -1.990 1.00 0.00 C ATOM 723 CD LYS A 49 11.651 4.541 -3.496 1.00 0.00 C ATOM 724 CE LYS A 49 12.675 5.505 -4.095 1.00 0.00 C ATOM 725 NZ LYS A 49 12.057 6.854 -4.243 1.00 0.00 N ATOM 0 H LYS A 49 10.574 4.339 1.372 1.00 0.00 H new ATOM 0 HA LYS A 49 9.495 5.282 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.216 2.826 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.257 3.004 -2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.888 5.409 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.859 3.974 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.738 3.562 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.640 4.900 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.554 5.564 -3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.012 5.139 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.752 7.512 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.231 6.790 -4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.756 7.202 -3.310 1.00 0.00 H new ATOM 739 N SER A 50 7.407 4.077 -0.616 1.00 0.00 N ATOM 740 CA SER A 50 6.170 3.335 -0.249 1.00 0.00 C ATOM 741 C SER A 50 5.871 2.278 -1.312 1.00 0.00 C ATOM 742 O SER A 50 5.815 2.566 -2.490 1.00 0.00 O ATOM 743 CB SER A 50 4.997 4.311 -0.160 1.00 0.00 C ATOM 744 OG SER A 50 5.318 5.348 0.758 1.00 0.00 O ATOM 0 H SER A 50 7.261 4.907 -1.191 1.00 0.00 H new ATOM 0 HA SER A 50 6.314 2.849 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.784 4.732 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.097 3.788 0.164 1.00 0.00 H new ATOM 0 HG SER A 50 4.600 6.015 0.762 1.00 0.00 H new ATOM 750 N ILE A 51 5.674 1.055 -0.907 1.00 0.00 N ATOM 751 CA ILE A 51 5.373 -0.015 -1.896 1.00 0.00 C ATOM 752 C ILE A 51 3.857 -0.121 -2.069 1.00 0.00 C ATOM 753 O ILE A 51 3.161 -0.622 -1.210 1.00 0.00 O ATOM 754 CB ILE A 51 5.920 -1.350 -1.389 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.338 -1.149 -0.840 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.951 -2.356 -2.539 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.325 -0.988 -1.999 1.00 0.00 C ATOM 0 H ILE A 51 5.708 0.751 0.066 1.00 0.00 H new ATOM 0 HA ILE A 51 5.839 0.226 -2.851 1.00 0.00 H new ATOM 0 HB ILE A 51 5.277 -1.729 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.368 -0.268 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.623 -2.001 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.341 -3.308 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.941 -2.499 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.593 -1.979 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.331 -0.846 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.303 -1.882 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.045 -0.122 -2.598 1.00 0.00 H new ATOM 769 N GLY A 52 3.336 0.351 -3.169 1.00 0.00 N ATOM 770 CA GLY A 52 1.863 0.277 -3.380 1.00 0.00 C ATOM 771 C GLY A 52 1.555 0.244 -4.877 1.00 0.00 C ATOM 772 O GLY A 52 2.416 0.469 -5.704 1.00 0.00 O ATOM 0 H GLY A 52 3.864 0.783 -3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.462 -0.614 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.377 1.136 -2.918 1.00 0.00 H new ATOM 776 N GLY A 53 0.330 -0.032 -5.231 1.00 0.00 N ATOM 777 CA GLY A 53 -0.035 -0.075 -6.676 1.00 0.00 C ATOM 778 C GLY A 53 -0.010 -1.521 -7.174 1.00 0.00 C ATOM 779 O GLY A 53 0.372 -1.794 -8.296 1.00 0.00 O ATOM 0 H GLY A 53 -0.433 -0.229 -4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.027 0.353 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.662 0.531 -7.255 1.00 0.00 H new ATOM 783 N ASP A 54 -0.416 -2.450 -6.354 1.00 0.00 N ATOM 784 CA ASP A 54 -0.417 -3.877 -6.787 1.00 0.00 C ATOM 785 C ASP A 54 -1.799 -4.483 -6.530 1.00 0.00 C ATOM 786 O ASP A 54 -2.640 -3.881 -5.895 1.00 0.00 O ATOM 787 CB ASP A 54 0.637 -4.651 -5.993 1.00 0.00 C ATOM 788 CG ASP A 54 2.004 -3.992 -6.182 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.556 -4.116 -7.264 1.00 0.00 O ATOM 790 OD2 ASP A 54 2.477 -3.374 -5.243 1.00 0.00 O ATOM 0 H ASP A 54 -0.747 -2.284 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.185 -3.937 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.372 -4.667 -4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.672 -5.688 -6.328 1.00 0.00 H new ATOM 795 N ILE A 55 -2.039 -5.668 -7.017 1.00 0.00 N ATOM 796 CA ILE A 55 -3.368 -6.304 -6.797 1.00 0.00 C ATOM 797 C ILE A 55 -3.510 -6.694 -5.325 1.00 0.00 C ATOM 798 O ILE A 55 -2.540 -6.991 -4.656 1.00 0.00 O ATOM 799 CB ILE A 55 -3.484 -7.556 -7.668 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.409 -7.156 -9.143 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.821 -8.248 -7.396 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.658 -6.358 -9.521 1.00 0.00 C ATOM 0 H ILE A 55 -1.374 -6.223 -7.557 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.156 -5.600 -7.064 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.668 -8.239 -7.432 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.515 -6.559 -9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.330 -8.045 -9.768 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.902 -9.140 -8.017 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.877 -8.532 -6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.638 -7.566 -7.632 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.604 -6.073 -10.572 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.545 -6.970 -9.356 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.717 -5.461 -8.905 1.00 0.00 H new ATOM 814 N PHE A 56 -4.712 -6.699 -4.816 1.00 0.00 N ATOM 815 CA PHE A 56 -4.913 -7.074 -3.389 1.00 0.00 C ATOM 816 C PHE A 56 -5.452 -8.508 -3.317 1.00 0.00 C ATOM 817 O PHE A 56 -6.150 -8.966 -4.198 1.00 0.00 O ATOM 818 CB PHE A 56 -5.911 -6.104 -2.736 1.00 0.00 C ATOM 819 CG PHE A 56 -6.492 -6.726 -1.486 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.659 -7.029 -0.402 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.862 -7.006 -1.415 1.00 0.00 C ATOM 822 CE1 PHE A 56 -6.197 -7.610 0.752 1.00 0.00 C ATOM 823 CE2 PHE A 56 -8.399 -7.588 -0.261 1.00 0.00 C ATOM 824 CZ PHE A 56 -7.566 -7.890 0.823 1.00 0.00 C ATOM 0 H PHE A 56 -5.562 -6.460 -5.327 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.964 -7.017 -2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.412 -5.167 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.710 -5.863 -3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.602 -6.814 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.505 -6.773 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.555 -7.842 1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.456 -7.804 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.980 -8.339 1.714 1.00 0.00 H new ATOM 834 N SER A 57 -5.132 -9.216 -2.268 1.00 0.00 N ATOM 835 CA SER A 57 -5.624 -10.616 -2.134 1.00 0.00 C ATOM 836 C SER A 57 -7.131 -10.652 -2.373 1.00 0.00 C ATOM 837 O SER A 57 -7.592 -10.820 -3.485 1.00 0.00 O ATOM 838 CB SER A 57 -5.313 -11.131 -0.728 1.00 0.00 C ATOM 839 OG SER A 57 -3.945 -11.508 -0.658 1.00 0.00 O ATOM 0 H SER A 57 -4.551 -8.885 -1.498 1.00 0.00 H new ATOM 0 HA SER A 57 -5.128 -11.249 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.527 -10.358 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.950 -11.984 -0.491 1.00 0.00 H new ATOM 0 HG SER A 57 -3.742 -11.837 0.243 1.00 0.00 H new ATOM 845 N ASN A 58 -7.896 -10.502 -1.335 1.00 0.00 N ATOM 846 CA ASN A 58 -9.380 -10.527 -1.480 1.00 0.00 C ATOM 847 C ASN A 58 -9.830 -11.935 -1.878 1.00 0.00 C ATOM 848 O ASN A 58 -10.910 -12.126 -2.400 1.00 0.00 O ATOM 849 CB ASN A 58 -9.811 -9.529 -2.558 1.00 0.00 C ATOM 850 CG ASN A 58 -11.338 -9.456 -2.606 1.00 0.00 C ATOM 851 OD1 ASN A 58 -11.959 -10.047 -3.467 1.00 0.00 O ATOM 852 ND2 ASN A 58 -11.974 -8.752 -1.711 1.00 0.00 N ATOM 0 H ASN A 58 -7.558 -10.362 -0.383 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.840 -10.252 -0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.396 -8.544 -2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -9.420 -9.835 -3.529 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.992 -8.698 -1.734 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.453 -8.256 -0.988 1.00 0.00 H new ATOM 859 N ARG A 59 -9.011 -12.921 -1.635 1.00 0.00 N ATOM 860 CA ARG A 59 -9.396 -14.314 -1.997 1.00 0.00 C ATOM 861 C ARG A 59 -10.708 -14.676 -1.297 1.00 0.00 C ATOM 862 O ARG A 59 -11.626 -15.188 -1.906 1.00 0.00 O ATOM 863 CB ARG A 59 -8.297 -15.281 -1.553 1.00 0.00 C ATOM 864 CG ARG A 59 -7.345 -15.547 -2.722 1.00 0.00 C ATOM 865 CD ARG A 59 -5.977 -15.965 -2.183 1.00 0.00 C ATOM 866 NE ARG A 59 -5.994 -17.419 -1.857 1.00 0.00 N ATOM 867 CZ ARG A 59 -4.872 -18.058 -1.666 1.00 0.00 C ATOM 868 NH1 ARG A 59 -3.967 -17.563 -0.867 1.00 0.00 N ATOM 869 NH2 ARG A 59 -4.655 -19.192 -2.274 1.00 0.00 N ATOM 0 H ARG A 59 -8.093 -12.822 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.526 -14.386 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.747 -14.861 -0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.738 -16.217 -1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.750 -16.330 -3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.247 -14.652 -3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.204 -15.756 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.732 -15.385 -1.293 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.882 -17.915 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.136 -16.677 -0.392 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.090 -18.062 -0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.362 -19.579 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.778 -19.691 -2.125 1.00 0.00 H new ATOM 883 N GLU A 60 -10.802 -14.411 -0.023 1.00 0.00 N ATOM 884 CA GLU A 60 -12.055 -14.737 0.713 1.00 0.00 C ATOM 885 C GLU A 60 -13.082 -13.627 0.484 1.00 0.00 C ATOM 886 O GLU A 60 -14.270 -13.872 0.406 1.00 0.00 O ATOM 887 CB GLU A 60 -11.752 -14.854 2.208 1.00 0.00 C ATOM 888 CG GLU A 60 -11.044 -16.183 2.482 1.00 0.00 C ATOM 889 CD GLU A 60 -12.068 -17.218 2.954 1.00 0.00 C ATOM 890 OE1 GLU A 60 -13.180 -17.193 2.454 1.00 0.00 O ATOM 891 OE2 GLU A 60 -11.722 -18.017 3.809 1.00 0.00 O ATOM 0 H GLU A 60 -10.066 -13.983 0.539 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.456 -15.683 0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.125 -14.022 2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.676 -14.797 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.545 -16.535 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.272 -16.047 3.240 1.00 0.00 H new ATOM 898 N GLY A 61 -12.635 -12.406 0.371 1.00 0.00 N ATOM 899 CA GLY A 61 -13.587 -11.283 0.143 1.00 0.00 C ATOM 900 C GLY A 61 -13.696 -10.435 1.412 1.00 0.00 C ATOM 901 O GLY A 61 -14.732 -10.376 2.044 1.00 0.00 O ATOM 0 H GLY A 61 -11.652 -12.138 0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.246 -10.667 -0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.567 -11.674 -0.130 1.00 0.00 H new ATOM 905 N LYS A 62 -12.636 -9.773 1.789 1.00 0.00 N ATOM 906 CA LYS A 62 -12.683 -8.928 3.015 1.00 0.00 C ATOM 907 C LYS A 62 -12.948 -7.472 2.623 1.00 0.00 C ATOM 908 O LYS A 62 -13.121 -6.614 3.465 1.00 0.00 O ATOM 909 CB LYS A 62 -11.348 -9.025 3.753 1.00 0.00 C ATOM 910 CG LYS A 62 -11.581 -9.577 5.161 1.00 0.00 C ATOM 911 CD LYS A 62 -11.103 -11.029 5.225 1.00 0.00 C ATOM 912 CE LYS A 62 -12.131 -11.873 5.981 1.00 0.00 C ATOM 913 NZ LYS A 62 -12.876 -12.731 5.015 1.00 0.00 N ATOM 0 H LYS A 62 -11.740 -9.781 1.301 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.483 -9.278 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.664 -9.674 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.879 -8.042 3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.044 -8.974 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.639 -9.520 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.964 -11.422 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.135 -11.083 5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.632 -12.494 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.824 -11.226 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.575 -13.305 5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.364 -12.129 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.209 -13.358 4.521 1.00 0.00 H new ATOM 927 N LEU A 63 -12.986 -7.191 1.350 1.00 0.00 N ATOM 928 CA LEU A 63 -13.246 -5.793 0.902 1.00 0.00 C ATOM 929 C LEU A 63 -14.581 -5.747 0.152 1.00 0.00 C ATOM 930 O LEU A 63 -15.006 -6.736 -0.413 1.00 0.00 O ATOM 931 CB LEU A 63 -12.124 -5.340 -0.036 1.00 0.00 C ATOM 932 CG LEU A 63 -10.826 -5.166 0.753 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.652 -5.084 -0.222 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.890 -3.875 1.572 1.00 0.00 C ATOM 0 H LEU A 63 -12.848 -7.869 0.600 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.285 -5.132 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.982 -6.074 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.397 -4.400 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.693 -6.015 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.724 -4.960 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.602 -6.001 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.791 -4.233 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.963 -3.754 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.022 -3.025 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.730 -3.925 2.265 1.00 0.00 H new ATOM 946 N PRO A 64 -15.203 -4.596 0.165 1.00 0.00 N ATOM 947 CA PRO A 64 -16.496 -4.394 -0.514 1.00 0.00 C ATOM 948 C PRO A 64 -16.345 -4.634 -2.018 1.00 0.00 C ATOM 949 O PRO A 64 -16.117 -3.716 -2.782 1.00 0.00 O ATOM 950 CB PRO A 64 -16.862 -2.931 -0.235 1.00 0.00 C ATOM 951 CG PRO A 64 -15.724 -2.314 0.618 1.00 0.00 C ATOM 952 CD PRO A 64 -14.671 -3.408 0.856 1.00 0.00 C ATOM 0 HA PRO A 64 -17.264 -5.082 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.980 -2.382 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.813 -2.869 0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.280 -1.462 0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.114 -1.946 1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.700 -3.118 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.531 -3.598 1.920 1.00 0.00 H new ATOM 960 N GLY A 65 -16.467 -5.859 -2.451 1.00 0.00 N ATOM 961 CA GLY A 65 -16.329 -6.152 -3.905 1.00 0.00 C ATOM 962 C GLY A 65 -17.138 -7.401 -4.257 1.00 0.00 C ATOM 963 O GLY A 65 -17.670 -8.072 -3.396 1.00 0.00 O ATOM 0 H GLY A 65 -16.656 -6.669 -1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.679 -5.303 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.280 -6.303 -4.158 1.00 0.00 H new ATOM 967 N LYS A 66 -17.235 -7.717 -5.520 1.00 0.00 N ATOM 968 CA LYS A 66 -18.010 -8.922 -5.932 1.00 0.00 C ATOM 969 C LYS A 66 -17.149 -9.790 -6.852 1.00 0.00 C ATOM 970 O LYS A 66 -15.977 -9.533 -7.045 1.00 0.00 O ATOM 971 CB LYS A 66 -19.272 -8.486 -6.678 1.00 0.00 C ATOM 972 CG LYS A 66 -20.353 -8.093 -5.668 1.00 0.00 C ATOM 973 CD LYS A 66 -20.828 -9.339 -4.918 1.00 0.00 C ATOM 974 CE LYS A 66 -20.414 -9.240 -3.450 1.00 0.00 C ATOM 975 NZ LYS A 66 -21.224 -10.192 -2.639 1.00 0.00 N ATOM 0 H LYS A 66 -16.811 -7.192 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 66 -18.290 -9.494 -5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -19.048 -7.644 -7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -19.630 -9.296 -7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.959 -7.360 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -21.192 -7.623 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -21.911 -9.432 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.398 -10.234 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.353 -9.467 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.560 -8.222 -3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.942 -10.124 -1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.233 -9.955 -2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.064 -11.162 -2.979 1.00 0.00 H new ATOM 989 N SER A 67 -17.720 -10.815 -7.421 1.00 0.00 N ATOM 990 CA SER A 67 -16.935 -11.697 -8.330 1.00 0.00 C ATOM 991 C SER A 67 -16.613 -10.943 -9.622 1.00 0.00 C ATOM 992 O SER A 67 -17.485 -10.392 -10.264 1.00 0.00 O ATOM 993 CB SER A 67 -17.752 -12.946 -8.661 1.00 0.00 C ATOM 994 OG SER A 67 -19.134 -12.662 -8.489 1.00 0.00 O ATOM 0 H SER A 67 -18.697 -11.080 -7.296 1.00 0.00 H new ATOM 0 HA SER A 67 -16.007 -11.989 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.558 -13.260 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.455 -13.771 -8.014 1.00 0.00 H new ATOM 0 HG SER A 67 -19.661 -13.460 -8.702 1.00 0.00 H new ATOM 1000 N GLY A 68 -15.367 -10.915 -10.010 1.00 0.00 N ATOM 1001 CA GLY A 68 -14.990 -10.197 -11.262 1.00 0.00 C ATOM 1002 C GLY A 68 -14.404 -8.828 -10.913 1.00 0.00 C ATOM 1003 O GLY A 68 -13.913 -8.117 -11.767 1.00 0.00 O ATOM 0 H GLY A 68 -14.593 -11.358 -9.514 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.262 -10.783 -11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.864 -10.077 -11.902 1.00 0.00 H new ATOM 1007 N ARG A 69 -14.450 -8.451 -9.663 1.00 0.00 N ATOM 1008 CA ARG A 69 -13.894 -7.128 -9.264 1.00 0.00 C ATOM 1009 C ARG A 69 -12.488 -7.317 -8.692 1.00 0.00 C ATOM 1010 O ARG A 69 -12.165 -8.351 -8.140 1.00 0.00 O ATOM 1011 CB ARG A 69 -14.795 -6.496 -8.203 1.00 0.00 C ATOM 1012 CG ARG A 69 -14.193 -5.164 -7.751 1.00 0.00 C ATOM 1013 CD ARG A 69 -14.885 -4.699 -6.470 1.00 0.00 C ATOM 1014 NE ARG A 69 -15.092 -3.224 -6.530 1.00 0.00 N ATOM 1015 CZ ARG A 69 -15.905 -2.645 -5.690 1.00 0.00 C ATOM 1016 NH1 ARG A 69 -17.051 -3.198 -5.402 1.00 0.00 N ATOM 1017 NH2 ARG A 69 -15.572 -1.512 -5.138 1.00 0.00 N ATOM 0 H ARG A 69 -14.848 -9.002 -8.903 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.847 -6.476 -10.136 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.795 -6.337 -8.607 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.899 -7.168 -7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.123 -5.277 -7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -14.312 -4.415 -8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.842 -5.208 -6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.280 -4.958 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.598 -2.668 -7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -17.312 -4.084 -5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.686 -2.744 -4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.676 -1.079 -5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.207 -1.059 -4.481 1.00 0.00 H new ATOM 1031 N THR A 70 -11.647 -6.327 -8.820 1.00 0.00 N ATOM 1032 CA THR A 70 -10.263 -6.452 -8.283 1.00 0.00 C ATOM 1033 C THR A 70 -9.972 -5.279 -7.343 1.00 0.00 C ATOM 1034 O THR A 70 -10.455 -4.182 -7.537 1.00 0.00 O ATOM 1035 CB THR A 70 -9.262 -6.439 -9.441 1.00 0.00 C ATOM 1036 OG1 THR A 70 -9.616 -7.444 -10.380 1.00 0.00 O ATOM 1037 CG2 THR A 70 -7.855 -6.708 -8.907 1.00 0.00 C ATOM 0 H THR A 70 -11.859 -5.438 -9.273 1.00 0.00 H new ATOM 0 HA THR A 70 -10.170 -7.389 -7.734 1.00 0.00 H new ATOM 0 HB THR A 70 -9.281 -5.464 -9.927 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.978 -7.437 -11.123 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.144 -6.698 -9.733 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.585 -5.935 -8.187 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.831 -7.683 -8.419 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.187 -5.504 -6.325 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.867 -4.403 -5.373 1.00 0.00 C ATOM 1047 C TRP A 71 -7.391 -4.030 -5.495 1.00 0.00 C ATOM 1048 O TRP A 71 -6.576 -4.814 -5.938 1.00 0.00 O ATOM 1049 CB TRP A 71 -9.145 -4.867 -3.942 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.562 -4.561 -3.582 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.635 -5.265 -4.002 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -11.076 -3.491 -2.737 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.780 -4.695 -3.471 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.487 -3.599 -2.684 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.464 -2.449 -2.019 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -13.261 -2.702 -1.944 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -11.240 -1.548 -1.272 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.634 -1.675 -1.236 1.00 0.00 C ATOM 0 H TRP A 71 -8.754 -6.402 -6.111 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.486 -3.537 -5.608 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.960 -5.938 -3.854 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.467 -4.368 -3.249 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.605 -6.131 -4.647 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.724 -5.042 -3.640 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.390 -2.341 -2.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.336 -2.802 -1.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.759 -0.753 -0.722 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.225 -0.978 -0.660 1.00 0.00 H new ATOM 1069 N ARG A 72 -7.038 -2.841 -5.096 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.613 -2.421 -5.175 1.00 0.00 C ATOM 1071 C ARG A 72 -5.090 -2.195 -3.756 1.00 0.00 C ATOM 1072 O ARG A 72 -5.790 -1.685 -2.903 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.504 -1.126 -5.980 1.00 0.00 C ATOM 1074 CG ARG A 72 -5.871 -1.400 -7.440 1.00 0.00 C ATOM 1075 CD ARG A 72 -4.631 -1.883 -8.197 1.00 0.00 C ATOM 1076 NE ARG A 72 -4.669 -1.361 -9.591 1.00 0.00 N ATOM 1077 CZ ARG A 72 -3.594 -1.396 -10.331 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -2.909 -2.503 -10.433 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -3.204 -0.326 -10.967 1.00 0.00 N ATOM 0 H ARG A 72 -7.676 -2.141 -4.718 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.023 -3.194 -5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.168 -0.369 -5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.490 -0.730 -5.917 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.658 -2.152 -7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.263 -0.495 -7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.727 -1.540 -7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.598 -2.972 -8.206 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.535 -0.976 -9.968 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.214 -3.339 -9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.069 -2.532 -11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.739 0.539 -10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.364 -0.354 -11.545 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.874 -2.580 -3.487 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.328 -2.394 -2.114 1.00 0.00 C ATOM 1095 C GLU A 73 -2.151 -1.414 -2.142 1.00 0.00 C ATOM 1096 O GLU A 73 -1.496 -1.236 -3.153 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.847 -3.743 -1.576 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.647 -4.220 -2.397 1.00 0.00 C ATOM 1099 CD GLU A 73 -0.356 -3.696 -1.767 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -0.432 -3.135 -0.686 1.00 0.00 O ATOM 1101 OE2 GLU A 73 0.688 -3.864 -2.377 1.00 0.00 O ATOM 0 H GLU A 73 -3.237 -3.014 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.111 -1.993 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.569 -3.650 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.652 -4.476 -1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.629 -5.309 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.732 -3.866 -3.424 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.874 -0.783 -1.032 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.735 0.178 -0.983 1.00 0.00 C ATOM 1110 C ALA A 74 -0.036 0.071 0.377 1.00 0.00 C ATOM 1111 O ALA A 74 -0.647 -0.253 1.375 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.257 1.604 -1.176 1.00 0.00 C ATOM 0 H ALA A 74 -2.388 -0.892 -0.157 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.027 -0.059 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.423 2.305 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.755 1.682 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.966 1.842 -0.383 1.00 0.00 H new ATOM 1118 N ASP A 75 1.241 0.339 0.423 1.00 0.00 N ATOM 1119 CA ASP A 75 1.977 0.252 1.718 1.00 0.00 C ATOM 1120 C ASP A 75 1.566 1.420 2.619 1.00 0.00 C ATOM 1121 O ASP A 75 1.357 2.524 2.159 1.00 0.00 O ATOM 1122 CB ASP A 75 3.483 0.322 1.452 1.00 0.00 C ATOM 1123 CG ASP A 75 4.083 -1.083 1.529 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.318 -2.028 1.626 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.297 -1.190 1.489 1.00 0.00 O ATOM 0 H ASP A 75 1.807 0.614 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 75 1.736 -0.690 2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.669 0.755 0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.962 0.974 2.183 1.00 0.00 H new ATOM 1130 N ILE A 76 1.447 1.188 3.899 1.00 0.00 N ATOM 1131 CA ILE A 76 1.048 2.293 4.816 1.00 0.00 C ATOM 1132 C ILE A 76 1.906 2.258 6.082 1.00 0.00 C ATOM 1133 O ILE A 76 2.277 1.207 6.566 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.423 2.131 5.197 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.289 2.266 3.943 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.814 3.215 6.203 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.321 3.729 3.495 1.00 0.00 C ATOM 0 H ILE A 76 1.608 0.286 4.347 1.00 0.00 H new ATOM 0 HA ILE A 76 1.195 3.247 4.310 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.576 1.149 5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.891 1.640 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.301 1.916 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.863 3.098 6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.196 3.122 7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.662 4.198 5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.938 3.823 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.740 4.344 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.308 4.064 3.272 1.00 0.00 H new ATOM 1149 N ASN A 77 2.217 3.404 6.625 1.00 0.00 N ATOM 1150 CA ASN A 77 3.045 3.447 7.863 1.00 0.00 C ATOM 1151 C ASN A 77 4.472 2.999 7.548 1.00 0.00 C ATOM 1152 O ASN A 77 5.245 2.688 8.433 1.00 0.00 O ATOM 1153 CB ASN A 77 2.437 2.517 8.915 1.00 0.00 C ATOM 1154 CG ASN A 77 2.054 3.329 10.154 1.00 0.00 C ATOM 1155 OD1 ASN A 77 1.973 4.540 10.100 1.00 0.00 O ATOM 1156 ND2 ASN A 77 1.815 2.710 11.277 1.00 0.00 N ATOM 0 H ASN A 77 1.932 4.314 6.263 1.00 0.00 H new ATOM 0 HA ASN A 77 3.066 4.467 8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.558 2.017 8.509 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.151 1.738 9.184 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.560 3.243 12.109 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.883 1.693 11.323 1.00 0.00 H new ATOM 1163 N TYR A 78 4.832 2.960 6.294 1.00 0.00 N ATOM 1164 CA TYR A 78 6.203 2.532 5.928 1.00 0.00 C ATOM 1165 C TYR A 78 7.209 3.598 6.368 1.00 0.00 C ATOM 1166 O TYR A 78 7.208 4.708 5.873 1.00 0.00 O ATOM 1167 CB TYR A 78 6.295 2.341 4.413 1.00 0.00 C ATOM 1168 CG TYR A 78 7.463 1.441 4.090 1.00 0.00 C ATOM 1169 CD1 TYR A 78 8.750 1.980 3.968 1.00 0.00 C ATOM 1170 CD2 TYR A 78 7.260 0.067 3.913 1.00 0.00 C ATOM 1171 CE1 TYR A 78 9.833 1.145 3.669 1.00 0.00 C ATOM 1172 CE2 TYR A 78 8.343 -0.767 3.615 1.00 0.00 C ATOM 1173 CZ TYR A 78 9.630 -0.229 3.493 1.00 0.00 C ATOM 1174 OH TYR A 78 10.697 -1.052 3.197 1.00 0.00 O ATOM 0 H TYR A 78 4.231 3.208 5.508 1.00 0.00 H new ATOM 0 HA TYR A 78 6.430 1.590 6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 78 5.371 1.905 4.034 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.418 3.306 3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.907 3.040 4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.268 -0.349 4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.825 1.561 3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.186 -1.827 3.479 1.00 0.00 H new ATOM 0 HH TYR A 78 10.383 -1.976 3.108 1.00 0.00 H new ATOM 1184 N THR A 79 8.066 3.271 7.296 1.00 0.00 N ATOM 1185 CA THR A 79 9.070 4.264 7.767 1.00 0.00 C ATOM 1186 C THR A 79 10.472 3.730 7.506 1.00 0.00 C ATOM 1187 O THR A 79 11.129 4.098 6.553 1.00 0.00 O ATOM 1188 CB THR A 79 8.886 4.502 9.267 1.00 0.00 C ATOM 1189 OG1 THR A 79 7.662 5.188 9.490 1.00 0.00 O ATOM 1190 CG2 THR A 79 10.049 5.341 9.801 1.00 0.00 C ATOM 0 H THR A 79 8.114 2.358 7.748 1.00 0.00 H new ATOM 0 HA THR A 79 8.933 5.203 7.231 1.00 0.00 H new ATOM 0 HB THR A 79 8.865 3.544 9.786 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.542 5.339 10.451 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.916 5.509 10.870 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.987 4.812 9.631 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.074 6.300 9.283 1.00 0.00 H new ATOM 1198 N SER A 80 10.927 2.863 8.352 1.00 0.00 N ATOM 1199 CA SER A 80 12.288 2.283 8.179 1.00 0.00 C ATOM 1200 C SER A 80 12.304 0.853 8.724 1.00 0.00 C ATOM 1201 O SER A 80 11.399 0.433 9.418 1.00 0.00 O ATOM 1202 CB SER A 80 13.304 3.131 8.944 1.00 0.00 C ATOM 1203 OG SER A 80 13.541 2.546 10.217 1.00 0.00 O ATOM 0 H SER A 80 10.414 2.524 9.166 1.00 0.00 H new ATOM 0 HA SER A 80 12.548 2.272 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.236 3.197 8.382 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.930 4.148 9.062 1.00 0.00 H new ATOM 0 HG SER A 80 14.193 3.087 10.709 1.00 0.00 H new ATOM 1209 N GLY A 81 13.325 0.101 8.416 1.00 0.00 N ATOM 1210 CA GLY A 81 13.396 -1.300 8.917 1.00 0.00 C ATOM 1211 C GLY A 81 12.582 -2.214 7.999 1.00 0.00 C ATOM 1212 O GLY A 81 12.010 -1.777 7.021 1.00 0.00 O ATOM 0 H GLY A 81 14.113 0.396 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.433 -1.633 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.010 -1.353 9.935 1.00 0.00 H new ATOM 1216 N PHE A 82 12.528 -3.482 8.305 1.00 0.00 N ATOM 1217 CA PHE A 82 11.750 -4.421 7.448 1.00 0.00 C ATOM 1218 C PHE A 82 10.382 -3.814 7.138 1.00 0.00 C ATOM 1219 O PHE A 82 9.955 -2.866 7.766 1.00 0.00 O ATOM 1220 CB PHE A 82 11.563 -5.748 8.187 1.00 0.00 C ATOM 1221 CG PHE A 82 12.452 -6.800 7.568 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.830 -6.783 7.811 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.898 -7.790 6.749 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.655 -7.758 7.236 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.722 -8.766 6.174 1.00 0.00 C ATOM 1226 CZ PHE A 82 14.101 -8.750 6.418 1.00 0.00 C ATOM 0 H PHE A 82 12.988 -3.907 9.110 1.00 0.00 H new ATOM 0 HA PHE A 82 12.289 -4.595 6.517 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.807 -5.626 9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.520 -6.061 8.135 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.258 -6.018 8.442 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.835 -7.802 6.560 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.718 -7.745 7.424 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.294 -9.531 5.543 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.737 -9.503 5.975 1.00 0.00 H new ATOM 1236 N ARG A 83 9.688 -4.351 6.171 1.00 0.00 N ATOM 1237 CA ARG A 83 8.348 -3.802 5.821 1.00 0.00 C ATOM 1238 C ARG A 83 7.471 -3.763 7.075 1.00 0.00 C ATOM 1239 O ARG A 83 7.869 -4.196 8.138 1.00 0.00 O ATOM 1240 CB ARG A 83 7.691 -4.693 4.766 1.00 0.00 C ATOM 1241 CG ARG A 83 8.743 -5.142 3.749 1.00 0.00 C ATOM 1242 CD ARG A 83 8.230 -4.867 2.336 1.00 0.00 C ATOM 1243 NE ARG A 83 6.791 -5.244 2.248 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.350 -6.302 2.874 1.00 0.00 C ATOM 1245 NH1 ARG A 83 6.948 -7.451 2.714 1.00 0.00 N ATOM 1246 NH2 ARG A 83 5.312 -6.211 3.658 1.00 0.00 N ATOM 0 H ARG A 83 9.992 -5.146 5.609 1.00 0.00 H new ATOM 0 HA ARG A 83 8.460 -2.793 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.235 -5.562 5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.892 -4.149 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.679 -4.610 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.953 -6.204 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.356 -3.813 2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.811 -5.435 1.610 1.00 0.00 H new ATOM 0 HE ARG A 83 6.149 -4.674 1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.760 -7.522 2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.604 -8.277 3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.844 -5.313 3.783 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.968 -7.038 4.147 1.00 0.00 H new ATOM 1260 N ASN A 84 6.279 -3.245 6.958 1.00 0.00 N ATOM 1261 CA ASN A 84 5.376 -3.177 8.142 1.00 0.00 C ATOM 1262 C ASN A 84 4.149 -4.056 7.901 1.00 0.00 C ATOM 1263 O ASN A 84 4.103 -4.835 6.970 1.00 0.00 O ATOM 1264 CB ASN A 84 4.928 -1.731 8.361 1.00 0.00 C ATOM 1265 CG ASN A 84 4.622 -1.080 7.010 1.00 0.00 C ATOM 1266 OD1 ASN A 84 4.225 -1.749 6.076 1.00 0.00 O ATOM 1267 ND2 ASN A 84 4.788 0.206 6.867 1.00 0.00 N ATOM 0 H ASN A 84 5.891 -2.866 6.094 1.00 0.00 H new ATOM 0 HA ASN A 84 5.910 -3.531 9.024 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.043 -1.706 8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.708 -1.172 8.878 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.585 0.650 5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.121 0.767 7.651 1.00 0.00 H new ATOM 1274 N SER A 85 3.152 -3.935 8.734 1.00 0.00 N ATOM 1275 CA SER A 85 1.927 -4.762 8.555 1.00 0.00 C ATOM 1276 C SER A 85 0.736 -3.849 8.254 1.00 0.00 C ATOM 1277 O SER A 85 -0.406 -4.264 8.313 1.00 0.00 O ATOM 1278 CB SER A 85 1.652 -5.552 9.834 1.00 0.00 C ATOM 1279 OG SER A 85 1.911 -4.724 10.962 1.00 0.00 O ATOM 0 H SER A 85 3.133 -3.299 9.531 1.00 0.00 H new ATOM 0 HA SER A 85 2.074 -5.454 7.726 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.617 -5.894 9.849 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.282 -6.441 9.869 1.00 0.00 H new ATOM 0 HG SER A 85 1.734 -5.227 11.784 1.00 0.00 H new ATOM 1285 N ASP A 86 0.989 -2.608 7.933 1.00 0.00 N ATOM 1286 CA ASP A 86 -0.133 -1.676 7.632 1.00 0.00 C ATOM 1287 C ASP A 86 -0.252 -1.487 6.119 1.00 0.00 C ATOM 1288 O ASP A 86 0.701 -1.147 5.444 1.00 0.00 O ATOM 1289 CB ASP A 86 0.128 -0.323 8.291 1.00 0.00 C ATOM 1290 CG ASP A 86 -0.016 -0.458 9.809 1.00 0.00 C ATOM 1291 OD1 ASP A 86 0.483 -1.432 10.348 1.00 0.00 O ATOM 1292 OD2 ASP A 86 -0.624 0.415 10.407 1.00 0.00 O ATOM 0 H ASP A 86 1.922 -2.201 7.867 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.060 -2.096 8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.129 0.029 8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.575 0.419 7.913 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.421 -1.701 5.586 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.619 -1.537 4.117 1.00 0.00 C ATOM 1299 C ARG A 87 -3.027 -1.001 3.857 1.00 0.00 C ATOM 1300 O ARG A 87 -3.969 -1.362 4.529 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.464 -2.893 3.422 1.00 0.00 C ATOM 1302 CG ARG A 87 -0.086 -3.484 3.730 1.00 0.00 C ATOM 1303 CD ARG A 87 0.972 -2.793 2.868 1.00 0.00 C ATOM 1304 NE ARG A 87 1.744 -3.817 2.104 1.00 0.00 N ATOM 1305 CZ ARG A 87 2.039 -4.964 2.655 1.00 0.00 C ATOM 1306 NH1 ARG A 87 2.574 -4.996 3.845 1.00 0.00 N ATOM 1307 NH2 ARG A 87 1.797 -6.076 2.017 1.00 0.00 N ATOM 0 H ARG A 87 -2.252 -1.984 6.105 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.877 -0.841 3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.245 -3.575 3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.586 -2.775 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.149 -3.354 4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.087 -4.556 3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.495 -2.095 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.645 -2.211 3.498 1.00 0.00 H new ATOM 0 HE ARG A 87 2.042 -3.620 1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.761 -4.126 4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.805 -5.891 4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.377 -6.050 1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.027 -6.972 2.448 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.187 -0.149 2.886 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.543 0.391 2.593 1.00 0.00 C ATOM 1323 C ILE A 88 -5.039 -0.193 1.266 1.00 0.00 C ATOM 1324 O ILE A 88 -4.309 -0.259 0.295 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.477 1.917 2.506 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.891 2.498 2.567 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.817 2.324 1.193 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.845 3.986 2.214 1.00 0.00 C ATOM 0 H ILE A 88 -2.440 0.197 2.283 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.234 0.113 3.389 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.892 2.301 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.544 1.968 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.309 2.362 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.770 3.411 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.808 1.914 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.401 1.938 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.852 4.401 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.206 4.509 2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.444 4.109 1.208 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.268 -0.631 1.224 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.808 -1.224 -0.032 1.00 0.00 C ATOM 1342 C LEU A 89 -7.792 -0.252 -0.689 1.00 0.00 C ATOM 1343 O LEU A 89 -8.874 -0.023 -0.189 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.543 -2.527 0.299 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.533 -3.603 0.698 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.454 -3.711 -0.377 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.886 -3.229 2.034 1.00 0.00 C ATOM 0 H LEU A 89 -6.922 -0.604 2.006 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.983 -1.422 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.251 -2.360 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.120 -2.859 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.044 -4.560 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.733 -4.478 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.914 -3.979 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.944 -2.753 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.166 -3.997 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.375 -2.271 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.656 -3.152 2.802 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.441 0.302 -1.817 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.384 1.234 -2.503 1.00 0.00 C ATOM 1361 C TYR A 90 -9.057 0.480 -3.655 1.00 0.00 C ATOM 1362 O TYR A 90 -8.442 -0.335 -4.315 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.638 2.463 -3.041 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.290 2.068 -3.597 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.204 1.872 -2.735 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -6.123 1.910 -4.977 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -3.953 1.517 -3.253 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.873 1.554 -5.496 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.788 1.357 -4.634 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.555 1.006 -5.145 1.00 0.00 O ATOM 0 H TYR A 90 -6.550 0.152 -2.291 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.134 1.583 -1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.231 2.943 -3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.508 3.194 -2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.332 1.995 -1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.960 2.063 -5.643 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.116 1.367 -2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.746 1.431 -6.561 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.485 0.029 -5.188 1.00 0.00 H new ATOM 1380 N SER A 91 -10.319 0.721 -3.888 1.00 0.00 N ATOM 1381 CA SER A 91 -11.024 -0.012 -4.981 1.00 0.00 C ATOM 1382 C SER A 91 -11.268 0.910 -6.179 1.00 0.00 C ATOM 1383 O SER A 91 -11.032 2.101 -6.124 1.00 0.00 O ATOM 1384 CB SER A 91 -12.366 -0.526 -4.460 1.00 0.00 C ATOM 1385 OG SER A 91 -12.455 -1.925 -4.696 1.00 0.00 O ATOM 0 H SER A 91 -10.891 1.390 -3.372 1.00 0.00 H new ATOM 0 HA SER A 91 -10.401 -0.847 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.459 -0.318 -3.394 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.185 -0.008 -4.958 1.00 0.00 H new ATOM 0 HG SER A 91 -12.336 -2.407 -3.851 1.00 0.00 H new ATOM 1391 N SER A 92 -11.741 0.357 -7.266 1.00 0.00 N ATOM 1392 CA SER A 92 -12.004 1.186 -8.477 1.00 0.00 C ATOM 1393 C SER A 92 -13.143 2.159 -8.191 1.00 0.00 C ATOM 1394 O SER A 92 -13.279 3.182 -8.831 1.00 0.00 O ATOM 1395 CB SER A 92 -12.385 0.278 -9.647 1.00 0.00 C ATOM 1396 OG SER A 92 -13.640 -0.334 -9.377 1.00 0.00 O ATOM 0 H SER A 92 -11.956 -0.635 -7.366 1.00 0.00 H new ATOM 0 HA SER A 92 -11.106 1.747 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.441 0.857 -10.569 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.620 -0.484 -9.795 1.00 0.00 H new ATOM 0 HG SER A 92 -13.888 -0.915 -10.126 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.954 1.853 -7.223 1.00 0.00 N ATOM 1403 CA ASP A 93 -15.072 2.759 -6.878 1.00 0.00 C ATOM 1404 C ASP A 93 -14.584 3.766 -5.836 1.00 0.00 C ATOM 1405 O ASP A 93 -15.361 4.429 -5.179 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.249 1.951 -6.323 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.890 1.393 -4.946 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.725 1.448 -4.591 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.789 0.920 -4.272 1.00 0.00 O ATOM 0 H ASP A 93 -13.888 1.009 -6.654 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.409 3.288 -7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.134 2.583 -6.250 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.495 1.136 -7.003 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.290 3.883 -5.692 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.714 4.843 -4.714 1.00 0.00 C ATOM 1416 C TRP A 94 -13.018 4.396 -3.283 1.00 0.00 C ATOM 1417 O TRP A 94 -13.093 5.202 -2.377 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.286 6.239 -4.963 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.319 7.009 -5.802 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.649 7.790 -6.856 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.869 7.077 -5.680 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.493 8.337 -7.386 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.370 7.926 -6.695 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -9.948 6.491 -4.793 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.003 8.183 -6.826 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.574 6.746 -4.923 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.103 7.591 -5.937 1.00 0.00 C ATOM 0 H TRP A 94 -12.602 3.346 -6.219 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.632 4.871 -4.843 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.250 6.168 -5.466 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.457 6.752 -4.017 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.650 7.959 -7.224 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.473 8.966 -8.188 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.301 5.840 -4.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.645 8.835 -7.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.876 6.288 -4.238 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.045 7.784 -6.031 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.164 3.118 -3.064 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.427 2.633 -1.681 1.00 0.00 C ATOM 1440 C LEU A 95 -12.082 2.460 -0.980 1.00 0.00 C ATOM 1441 O LEU A 95 -11.290 1.614 -1.343 1.00 0.00 O ATOM 1442 CB LEU A 95 -14.149 1.283 -1.722 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.664 1.496 -1.730 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.367 0.148 -1.575 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -16.063 2.411 -0.569 1.00 0.00 C ATOM 0 H LEU A 95 -13.113 2.393 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.054 3.349 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.848 0.728 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.863 0.683 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.958 1.958 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.447 0.298 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.087 -0.505 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.069 -0.311 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -17.143 2.560 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.768 1.951 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.563 3.373 -0.676 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.801 3.264 0.005 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.492 3.140 0.697 1.00 0.00 C ATOM 1459 C ILE A 96 -10.654 2.384 2.016 1.00 0.00 C ATOM 1460 O ILE A 96 -11.441 2.748 2.867 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.922 4.532 0.970 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.266 5.461 -0.198 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.403 4.428 1.108 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.450 6.751 -0.086 1.00 0.00 C ATOM 0 H ILE A 96 -12.417 3.996 0.358 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.808 2.584 0.056 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.350 4.934 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.053 4.965 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.331 5.691 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.987 5.416 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.158 3.761 1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.980 4.032 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.696 7.411 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.685 7.250 0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.387 6.513 -0.114 1.00 0.00 H new ATOM 1476 N TYR A 97 -9.894 1.339 2.188 1.00 0.00 N ATOM 1477 CA TYR A 97 -9.964 0.545 3.445 1.00 0.00 C ATOM 1478 C TYR A 97 -8.568 0.513 4.067 1.00 0.00 C ATOM 1479 O TYR A 97 -7.582 0.740 3.397 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.411 -0.884 3.125 1.00 0.00 C ATOM 1481 CG TYR A 97 -11.913 -0.990 3.238 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.731 -0.490 2.217 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.488 -1.595 4.361 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.124 -0.594 2.322 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -13.880 -1.699 4.466 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.699 -1.199 3.446 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.071 -1.301 3.550 1.00 0.00 O ATOM 0 H TYR A 97 -9.220 0.998 1.503 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.678 0.994 4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.093 -1.157 2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.936 -1.585 3.811 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.288 -0.024 1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -11.857 -1.982 5.148 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.755 -0.207 1.535 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.323 -2.165 5.334 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.303 -1.748 4.391 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.463 0.245 5.336 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.110 0.215 5.965 1.00 0.00 C ATOM 1499 C LYS A 98 -6.945 -1.064 6.795 1.00 0.00 C ATOM 1500 O LYS A 98 -7.860 -1.512 7.452 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.950 1.435 6.876 1.00 0.00 C ATOM 1502 CG LYS A 98 -8.121 1.495 7.858 1.00 0.00 C ATOM 1503 CD LYS A 98 -8.223 2.902 8.448 1.00 0.00 C ATOM 1504 CE LYS A 98 -6.982 3.192 9.295 1.00 0.00 C ATOM 1505 NZ LYS A 98 -7.351 3.179 10.738 1.00 0.00 N ATOM 0 H LYS A 98 -9.244 0.047 5.962 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.351 0.234 5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.008 1.375 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.915 2.346 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.049 1.235 7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.979 0.765 8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.310 3.638 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.121 2.987 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.212 2.446 9.099 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.563 4.161 9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.508 3.376 11.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.071 3.907 10.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.732 2.245 10.991 1.00 0.00 H new ATOM 1519 N THR A 99 -5.777 -1.645 6.782 1.00 0.00 N ATOM 1520 CA THR A 99 -5.547 -2.885 7.580 1.00 0.00 C ATOM 1521 C THR A 99 -4.273 -2.713 8.409 1.00 0.00 C ATOM 1522 O THR A 99 -3.228 -2.369 7.890 1.00 0.00 O ATOM 1523 CB THR A 99 -5.390 -4.091 6.649 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.631 -5.096 7.308 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.668 -3.668 5.370 1.00 0.00 C ATOM 0 H THR A 99 -4.970 -1.315 6.253 1.00 0.00 H new ATOM 0 HA THR A 99 -6.401 -3.055 8.236 1.00 0.00 H new ATOM 0 HB THR A 99 -6.375 -4.480 6.393 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.677 -4.884 7.238 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.559 -4.530 4.712 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.247 -2.896 4.864 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.682 -3.277 5.621 1.00 0.00 H new ATOM 1533 N THR A 100 -4.349 -2.941 9.691 1.00 0.00 N ATOM 1534 CA THR A 100 -3.139 -2.781 10.548 1.00 0.00 C ATOM 1535 C THR A 100 -2.604 -4.157 10.952 1.00 0.00 C ATOM 1536 O THR A 100 -1.764 -4.273 11.823 1.00 0.00 O ATOM 1537 CB THR A 100 -3.505 -1.987 11.804 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.851 -2.265 12.163 1.00 0.00 O ATOM 1539 CG2 THR A 100 -3.346 -0.491 11.529 1.00 0.00 C ATOM 0 H THR A 100 -5.195 -3.231 10.182 1.00 0.00 H new ATOM 0 HA THR A 100 -2.371 -2.247 9.989 1.00 0.00 H new ATOM 0 HB THR A 100 -2.844 -2.275 12.622 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.991 -3.235 12.183 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.607 0.073 12.424 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.312 -0.279 11.255 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.005 -0.199 10.711 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.080 -5.201 10.329 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.589 -6.565 10.688 1.00 0.00 C ATOM 1549 C ASP A 101 -2.236 -7.333 9.412 1.00 0.00 C ATOM 1550 O ASP A 101 -2.237 -8.547 9.388 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.664 -7.342 11.468 1.00 0.00 C ATOM 1552 CG ASP A 101 -4.922 -6.489 11.656 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -4.786 -5.339 12.039 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.002 -7.004 11.418 1.00 0.00 O ATOM 0 H ASP A 101 -3.784 -5.171 9.591 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.705 -6.461 11.317 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.917 -8.258 10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.271 -7.638 12.441 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.927 -6.634 8.353 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.566 -7.325 7.082 1.00 0.00 C ATOM 1561 C HIS A 102 -2.830 -7.856 6.403 1.00 0.00 C ATOM 1562 O HIS A 102 -3.104 -9.040 6.420 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.624 -8.492 7.386 1.00 0.00 C ATOM 1564 CG HIS A 102 0.213 -8.788 6.173 1.00 0.00 C ATOM 1565 ND1 HIS A 102 0.172 -10.015 5.529 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.116 -8.027 5.473 1.00 0.00 C ATOM 1567 CE1 HIS A 102 1.028 -9.958 4.492 1.00 0.00 C ATOM 1568 NE2 HIS A 102 1.629 -8.767 4.412 1.00 0.00 N ATOM 0 H HIS A 102 -1.909 -5.615 8.313 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.070 -6.618 6.417 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.017 -8.245 8.232 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.199 -9.374 7.668 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.402 -10.815 5.793 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.387 -7.009 5.710 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.207 -10.775 3.808 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.600 -6.993 5.798 1.00 0.00 N ATOM 1577 CA TYR A 103 -4.840 -7.455 5.114 1.00 0.00 C ATOM 1578 C TYR A 103 -5.678 -8.295 6.081 1.00 0.00 C ATOM 1579 O TYR A 103 -5.940 -9.458 5.842 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.461 -8.301 3.897 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.472 -7.544 3.043 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.661 -6.178 2.797 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.366 -8.207 2.497 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.743 -5.476 2.005 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.450 -7.504 1.705 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.637 -6.139 1.459 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.734 -5.447 0.679 1.00 0.00 O ATOM 0 H TYR A 103 -3.424 -5.990 5.748 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.421 -6.591 4.792 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.028 -9.248 4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.352 -8.539 3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.514 -5.666 3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.220 -9.260 2.687 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.888 -4.423 1.815 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.598 -8.016 1.283 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.996 -4.504 0.634 1.00 0.00 H new ATOM 1597 N GLN A 104 -6.102 -7.716 7.170 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.924 -8.475 8.153 1.00 0.00 C ATOM 1599 C GLN A 104 -8.101 -7.616 8.594 1.00 0.00 C ATOM 1600 O GLN A 104 -9.238 -7.857 8.240 1.00 0.00 O ATOM 1601 CB GLN A 104 -6.066 -8.830 9.369 1.00 0.00 C ATOM 1602 CG GLN A 104 -5.350 -10.158 9.118 1.00 0.00 C ATOM 1603 CD GLN A 104 -6.377 -11.292 9.081 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -6.812 -11.766 10.111 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -6.785 -11.749 7.929 1.00 0.00 N ATOM 0 H GLN A 104 -5.914 -6.746 7.422 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.293 -9.391 7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -5.337 -8.041 9.556 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.691 -8.904 10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.804 -10.117 8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -4.617 -10.342 9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.420 -11.351 7.064 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.469 -12.504 7.893 1.00 0.00 H new ATOM 1614 N THR A 105 -7.827 -6.609 9.360 1.00 0.00 N ATOM 1615 CA THR A 105 -8.910 -5.704 9.833 1.00 0.00 C ATOM 1616 C THR A 105 -9.087 -4.578 8.816 1.00 0.00 C ATOM 1617 O THR A 105 -8.415 -3.566 8.871 1.00 0.00 O ATOM 1618 CB THR A 105 -8.527 -5.114 11.192 1.00 0.00 C ATOM 1619 OG1 THR A 105 -7.124 -4.896 11.233 1.00 0.00 O ATOM 1620 CG2 THR A 105 -8.927 -6.085 12.305 1.00 0.00 C ATOM 0 H THR A 105 -6.891 -6.367 9.685 1.00 0.00 H new ATOM 0 HA THR A 105 -9.842 -6.260 9.936 1.00 0.00 H new ATOM 0 HB THR A 105 -9.047 -4.167 11.336 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.717 -5.506 11.883 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.653 -5.663 13.272 1.00 0.00 H new ATOM 0 HG22 THR A 105 -10.004 -6.251 12.273 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.409 -7.034 12.164 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.974 -4.750 7.877 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.180 -3.696 6.847 1.00 0.00 C ATOM 1630 C PHE A 106 -11.238 -2.704 7.319 1.00 0.00 C ATOM 1631 O PHE A 106 -12.411 -3.013 7.391 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.638 -4.346 5.541 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.623 -5.378 5.116 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.479 -4.985 4.415 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.828 -6.728 5.423 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.535 -5.941 4.021 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -8.885 -7.685 5.030 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.739 -7.292 4.328 1.00 0.00 C ATOM 0 H PHE A 106 -10.565 -5.575 7.778 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.242 -3.166 6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.614 -4.813 5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.751 -3.589 4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.323 -3.943 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.713 -7.031 5.963 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.651 -5.637 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.041 -8.727 5.268 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.012 -8.031 4.023 1.00 0.00 H new ATOM 1648 N THR A 107 -10.832 -1.505 7.630 1.00 0.00 N ATOM 1649 CA THR A 107 -11.806 -0.481 8.085 1.00 0.00 C ATOM 1650 C THR A 107 -12.081 0.482 6.930 1.00 0.00 C ATOM 1651 O THR A 107 -11.184 0.854 6.195 1.00 0.00 O ATOM 1652 CB THR A 107 -11.223 0.291 9.271 1.00 0.00 C ATOM 1653 OG1 THR A 107 -10.862 -0.624 10.296 1.00 0.00 O ATOM 1654 CG2 THR A 107 -12.265 1.274 9.804 1.00 0.00 C ATOM 0 H THR A 107 -9.862 -1.191 7.588 1.00 0.00 H new ATOM 0 HA THR A 107 -12.733 -0.962 8.396 1.00 0.00 H new ATOM 0 HB THR A 107 -10.340 0.843 8.948 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.487 -0.132 11.056 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.849 1.823 10.649 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.541 1.975 9.016 1.00 0.00 H new ATOM 0 HG23 THR A 107 -13.150 0.726 10.128 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.311 0.881 6.762 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.648 1.815 5.653 1.00 0.00 C ATOM 1664 C LYS A 108 -13.400 3.254 6.105 1.00 0.00 C ATOM 1665 O LYS A 108 -13.917 3.698 7.110 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.121 1.645 5.276 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.517 2.709 4.251 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.853 3.334 4.655 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.031 4.669 3.931 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.353 4.689 3.244 1.00 0.00 N ATOM 0 H LYS A 108 -14.098 0.600 7.346 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.023 1.594 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.288 0.650 4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.746 1.732 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.747 3.478 4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.597 2.262 3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.672 2.660 4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.884 3.486 5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.966 5.492 4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.230 4.811 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.475 5.597 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.397 3.912 2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.111 4.572 3.946 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.609 3.987 5.369 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.327 5.397 5.758 1.00 0.00 C ATOM 1686 C ILE A 109 -12.725 6.331 4.613 1.00 0.00 C ATOM 1687 O ILE A 109 -12.759 7.535 4.766 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.833 5.555 6.050 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -10.032 4.610 5.152 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.561 5.214 7.517 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.582 5.089 5.068 1.00 0.00 C ATOM 0 H ILE A 109 -12.147 3.670 4.517 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.901 5.651 6.649 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.533 6.584 5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.068 3.596 5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.473 4.577 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.497 5.326 7.725 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.130 5.887 8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.862 4.185 7.713 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.013 4.415 4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.555 6.095 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.144 5.099 6.066 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.029 5.785 3.468 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.428 6.643 2.316 1.00 0.00 C ATOM 1705 C ARG A 110 -14.093 5.778 1.244 1.00 0.00 C ATOM 1706 O ARG A 110 -14.701 4.785 1.604 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.186 7.319 1.730 1.00 0.00 C ATOM 1708 CG ARG A 110 -11.986 8.682 2.395 1.00 0.00 C ATOM 1709 CD ARG A 110 -10.716 8.653 3.246 1.00 0.00 C ATOM 1710 NE ARG A 110 -10.878 9.571 4.409 1.00 0.00 N ATOM 1711 CZ ARG A 110 -10.059 9.492 5.420 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -8.836 9.076 5.238 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -10.462 9.829 6.615 1.00 0.00 N ATOM 1714 OXT ARG A 110 -13.983 6.126 0.079 1.00 0.00 O ATOM 0 H ARG A 110 -13.019 4.783 3.280 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.130 7.405 2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.308 6.692 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.299 7.441 0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -11.910 9.461 1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.848 8.925 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.521 7.639 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.857 8.955 2.647 1.00 0.00 H new ATOM 0 HE ARG A 110 -11.629 10.261 4.414 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.521 8.813 4.304 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.195 9.014 6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.418 10.154 6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -9.821 9.767 7.406 1.00 0.00 H new TER 1728 ARG A 110