USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 THR OG1 : rot 150:sc= 0.00933 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 73 TYR OH : rot 134:sc= 0.0245 USER MOD Set 2.1: A 52 ASN : amide:sc= -0.751 X(o=-0.75,f=-0.53) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 1 SER N :NH3+ 162:sc= 0.497 (180deg=0) USER MOD Set 3.2: A 2 HIS : no HD1:sc= -1.06 X(o=-0.56,f=-0.9) USER MOD Single : A 1 SER OG : rot 24:sc= 0.304 USER MOD Single : A 3 MET CE :methyl -176:sc= 0 (180deg=-0.0146) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.654 F(o=-1.8!,f=-0.65) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.43) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0284 USER MOD Single : A 27 THR OG1 : rot 29:sc= 0.349 USER MOD Single : A 28 CYS SG : rot 170:sc= -0.639 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= 0.407 (180deg=-0.235) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 73:sc= 1.46 USER MOD Single : A 39 CYS SG : rot 80:sc= -0.834! USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= 1.28 (180deg=0.83) USER MOD Single : A 43 ASN : amide:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 55:sc= -2.44! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0855 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 96:sc= 1.17 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.929 -7.381 16.097 1.00 0.00 N ATOM 2 CA SER A 1 3.785 -7.999 15.042 1.00 0.00 C ATOM 3 C SER A 1 3.734 -7.176 13.747 1.00 0.00 C ATOM 4 O SER A 1 2.610 -6.878 13.326 1.00 0.00 O ATOM 5 CB SER A 1 3.301 -9.433 14.719 1.00 0.00 C ATOM 6 OG SER A 1 1.957 -9.456 14.355 1.00 0.00 O ATOM 0 H1 SER A 1 2.730 -8.083 16.838 1.00 0.00 H new ATOM 0 H2 SER A 1 3.425 -6.568 16.514 1.00 0.00 H new ATOM 0 H3 SER A 1 2.034 -7.061 15.675 1.00 0.00 H new ATOM 0 HA SER A 1 4.805 -8.025 15.425 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.904 -9.846 13.910 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.453 -10.072 15.589 1.00 0.00 H new ATOM 0 HG SER A 1 1.695 -8.575 14.016 1.00 0.00 H new ATOM 13 N HIS A 2 4.868 -6.800 13.130 1.00 0.00 N ATOM 14 CA HIS A 2 4.888 -5.571 12.356 1.00 0.00 C ATOM 15 C HIS A 2 5.595 -5.913 11.024 1.00 0.00 C ATOM 16 O HIS A 2 4.990 -6.487 10.108 1.00 0.00 O ATOM 17 CB HIS A 2 5.573 -4.442 13.170 1.00 0.00 C ATOM 18 CG HIS A 2 5.234 -4.438 14.630 1.00 0.00 C ATOM 19 ND1 HIS A 2 6.150 -4.388 15.640 1.00 0.00 N ATOM 20 CD2 HIS A 2 3.984 -4.479 15.177 1.00 0.00 C ATOM 21 CE1 HIS A 2 5.471 -4.436 16.776 1.00 0.00 C ATOM 22 NE2 HIS A 2 4.154 -4.550 16.549 1.00 0.00 N ATOM 0 H HIS A 2 5.748 -7.316 13.156 1.00 0.00 H new ATOM 0 HA HIS A 2 3.891 -5.189 12.135 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.653 -4.536 13.061 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.292 -3.480 12.742 1.00 0.00 H new ATOM 0 HD2 HIS A 2 3.045 -4.460 14.643 1.00 0.00 H new ATOM 0 HE1 HIS A 2 5.919 -4.389 17.757 1.00 0.00 H new ATOM 0 HE2 HIS A 2 3.422 -4.666 17.250 1.00 0.00 H new ATOM 30 N MET A 3 6.915 -5.730 10.999 1.00 0.00 N ATOM 31 CA MET A 3 7.861 -6.107 9.941 1.00 0.00 C ATOM 32 C MET A 3 8.012 -7.633 9.761 1.00 0.00 C ATOM 33 O MET A 3 9.058 -8.121 9.306 1.00 0.00 O ATOM 34 CB MET A 3 9.195 -5.379 10.184 1.00 0.00 C ATOM 35 CG MET A 3 9.006 -3.855 10.107 1.00 0.00 C ATOM 36 SD MET A 3 10.517 -2.858 10.261 1.00 0.00 S ATOM 37 CE MET A 3 10.920 -3.152 12.008 1.00 0.00 C ATOM 0 H MET A 3 7.392 -5.278 11.779 1.00 0.00 H new ATOM 0 HA MET A 3 7.458 -5.781 8.982 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.591 -5.652 11.162 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.929 -5.697 9.443 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.531 -3.615 9.156 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.314 -3.554 10.893 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.786 -2.553 12.287 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.069 -2.872 12.630 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.146 -4.208 12.157 1.00 0.00 H new ATOM 47 N THR A 4 6.962 -8.403 10.110 1.00 0.00 N ATOM 48 CA THR A 4 6.792 -9.754 9.631 1.00 0.00 C ATOM 49 C THR A 4 5.800 -9.794 8.483 1.00 0.00 C ATOM 50 O THR A 4 6.197 -9.889 7.331 1.00 0.00 O ATOM 51 CB THR A 4 6.465 -10.718 10.771 1.00 0.00 C ATOM 52 OG1 THR A 4 7.405 -10.580 11.804 1.00 0.00 O ATOM 53 CG2 THR A 4 6.482 -12.158 10.284 1.00 0.00 C ATOM 0 H THR A 4 6.218 -8.089 10.733 1.00 0.00 H new ATOM 0 HA THR A 4 7.740 -10.107 9.225 1.00 0.00 H new ATOM 0 HB THR A 4 5.468 -10.475 11.139 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.186 -11.200 12.530 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.246 -12.825 11.113 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.741 -12.284 9.495 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.471 -12.399 9.894 1.00 0.00 H new ATOM 61 N ALA A 5 4.529 -9.520 8.757 1.00 0.00 N ATOM 62 CA ALA A 5 3.494 -9.602 7.726 1.00 0.00 C ATOM 63 C ALA A 5 3.532 -8.379 6.799 1.00 0.00 C ATOM 64 O ALA A 5 3.439 -8.542 5.588 1.00 0.00 O ATOM 65 CB ALA A 5 2.140 -9.801 8.433 1.00 0.00 C ATOM 0 H ALA A 5 4.190 -9.241 9.677 1.00 0.00 H new ATOM 0 HA ALA A 5 3.667 -10.453 7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.347 -9.866 7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.166 -10.721 9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.948 -8.957 9.095 1.00 0.00 H new ATOM 71 N VAL A 6 3.704 -7.175 7.363 1.00 0.00 N ATOM 72 CA VAL A 6 3.778 -5.897 6.630 1.00 0.00 C ATOM 73 C VAL A 6 5.021 -5.894 5.750 1.00 0.00 C ATOM 74 O VAL A 6 5.032 -5.252 4.705 1.00 0.00 O ATOM 75 CB VAL A 6 3.709 -4.660 7.568 1.00 0.00 C ATOM 76 CG1 VAL A 6 5.058 -4.082 8.015 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.811 -3.569 6.984 1.00 0.00 C ATOM 0 H VAL A 6 3.799 -7.057 8.372 1.00 0.00 H new ATOM 0 HA VAL A 6 2.898 -5.814 5.992 1.00 0.00 H new ATOM 0 HB VAL A 6 3.265 -5.048 8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.889 -3.224 8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.618 -4.843 8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.627 -3.768 7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.784 -2.718 7.664 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.206 -3.251 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.802 -3.960 6.852 1.00 0.00 H new ATOM 87 N GLN A 7 6.059 -6.647 6.156 1.00 0.00 N ATOM 88 CA GLN A 7 7.300 -6.727 5.419 1.00 0.00 C ATOM 89 C GLN A 7 7.166 -7.584 4.158 1.00 0.00 C ATOM 90 O GLN A 7 7.298 -7.066 3.049 1.00 0.00 O ATOM 91 CB GLN A 7 8.407 -7.255 6.338 1.00 0.00 C ATOM 92 CG GLN A 7 9.805 -7.248 5.705 1.00 0.00 C ATOM 93 CD GLN A 7 10.205 -5.822 5.418 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.687 -5.260 4.357 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 10.824 -5.137 6.204 1.00 0.00 N flip ATOM 0 H GLN A 7 6.046 -7.211 7.006 1.00 0.00 H new ATOM 0 HA GLN A 7 7.564 -5.725 5.082 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.428 -6.653 7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.161 -8.274 6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.526 -7.713 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.805 -7.832 4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.234 -5.560 7.036 1.00 0.00 H new ATOM 0 HE22 GLN A 7 10.934 -4.138 6.033 1.00 0.00 H new ATOM 104 N ASP A 8 6.876 -8.870 4.368 1.00 0.00 N ATOM 105 CA ASP A 8 6.702 -9.918 3.340 1.00 0.00 C ATOM 106 C ASP A 8 5.736 -9.452 2.255 1.00 0.00 C ATOM 107 O ASP A 8 6.100 -9.459 1.078 1.00 0.00 O ATOM 108 CB ASP A 8 6.232 -11.231 3.986 1.00 0.00 C ATOM 109 CG ASP A 8 5.780 -12.275 2.941 1.00 0.00 C ATOM 110 OD1 ASP A 8 6.622 -13.112 2.511 1.00 0.00 O ATOM 111 OD2 ASP A 8 4.565 -12.276 2.624 1.00 0.00 O1- ATOM 0 H ASP A 8 6.747 -9.236 5.311 1.00 0.00 H new ATOM 0 HA ASP A 8 7.665 -10.106 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.042 -11.648 4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.407 -11.022 4.667 1.00 0.00 H new ATOM 116 N PHE A 9 4.548 -8.959 2.643 1.00 0.00 N ATOM 117 CA PHE A 9 3.601 -8.373 1.697 1.00 0.00 C ATOM 118 C PHE A 9 4.295 -7.284 0.862 1.00 0.00 C ATOM 119 O PHE A 9 4.281 -7.360 -0.366 1.00 0.00 O ATOM 120 CB PHE A 9 2.402 -7.743 2.430 1.00 0.00 C ATOM 121 CG PHE A 9 1.534 -6.986 1.435 1.00 0.00 C ATOM 122 CD1 PHE A 9 1.829 -5.637 1.195 1.00 0.00 C ATOM 123 CD2 PHE A 9 0.634 -7.650 0.583 1.00 0.00 C ATOM 124 CE1 PHE A 9 1.291 -4.972 0.087 1.00 0.00 C ATOM 125 CE2 PHE A 9 0.038 -6.941 -0.482 1.00 0.00 C ATOM 126 CZ PHE A 9 0.349 -5.602 -0.727 1.00 0.00 C ATOM 0 H PHE A 9 4.225 -8.958 3.611 1.00 0.00 H new ATOM 0 HA PHE A 9 3.243 -9.173 1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.816 -8.519 2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.754 -7.067 3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.479 -5.104 1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.401 -8.693 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.607 -3.964 -0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.673 -7.444 -1.120 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.131 -5.064 -1.531 1.00 0.00 H new ATOM 136 N VAL A 10 4.924 -6.295 1.520 1.00 0.00 N ATOM 137 CA VAL A 10 5.531 -5.136 0.851 1.00 0.00 C ATOM 138 C VAL A 10 6.596 -5.550 -0.159 1.00 0.00 C ATOM 139 O VAL A 10 6.542 -5.089 -1.290 1.00 0.00 O ATOM 140 CB VAL A 10 6.095 -4.104 1.856 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.082 -3.089 1.257 1.00 0.00 C ATOM 142 CG2 VAL A 10 4.931 -3.325 2.480 1.00 0.00 C ATOM 0 H VAL A 10 5.025 -6.279 2.535 1.00 0.00 H new ATOM 0 HA VAL A 10 4.725 -4.649 0.302 1.00 0.00 H new ATOM 0 HB VAL A 10 6.654 -4.685 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.422 -2.408 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.938 -3.618 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.586 -2.520 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.321 -2.595 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.377 -2.809 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.267 -4.017 2.998 1.00 0.00 H new ATOM 152 N VAL A 11 7.540 -6.415 0.221 1.00 0.00 N ATOM 153 CA VAL A 11 8.593 -6.933 -0.707 1.00 0.00 C ATOM 154 C VAL A 11 8.113 -7.834 -1.838 1.00 0.00 C ATOM 155 O VAL A 11 8.803 -7.935 -2.850 1.00 0.00 O ATOM 156 CB VAL A 11 9.896 -7.460 -0.060 1.00 0.00 C ATOM 157 CG1 VAL A 11 11.023 -6.438 -0.234 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.765 -7.635 1.441 1.00 0.00 C ATOM 0 H VAL A 11 7.611 -6.784 1.169 1.00 0.00 H new ATOM 0 HA VAL A 11 8.876 -5.994 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 11 10.101 -8.413 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.935 -6.820 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.197 -6.265 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.741 -5.500 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.706 -8.007 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.525 -6.676 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.970 -8.349 1.656 1.00 0.00 H new ATOM 168 N ASP A 12 6.912 -8.408 -1.736 1.00 0.00 N ATOM 169 CA ASP A 12 6.265 -9.076 -2.858 1.00 0.00 C ATOM 170 C ASP A 12 5.819 -8.083 -3.946 1.00 0.00 C ATOM 171 O ASP A 12 5.813 -8.416 -5.117 1.00 0.00 O ATOM 172 CB ASP A 12 5.084 -9.890 -2.359 1.00 0.00 C ATOM 173 CG ASP A 12 4.748 -11.066 -3.268 1.00 0.00 C ATOM 174 OD1 ASP A 12 3.544 -11.340 -3.419 1.00 0.00 O ATOM 175 OD2 ASP A 12 5.630 -11.704 -3.874 1.00 0.00 O1- ATOM 0 H ASP A 12 6.366 -8.421 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 12 6.996 -9.742 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.303 -10.262 -1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.212 -9.242 -2.275 1.00 0.00 H new ATOM 180 N ILE A 13 5.527 -6.824 -3.590 1.00 0.00 N ATOM 181 CA ILE A 13 5.289 -5.653 -4.476 1.00 0.00 C ATOM 182 C ILE A 13 6.628 -4.984 -4.798 1.00 0.00 C ATOM 183 O ILE A 13 6.776 -4.472 -5.900 1.00 0.00 O ATOM 184 CB ILE A 13 4.249 -4.713 -3.859 1.00 0.00 C ATOM 185 CG1 ILE A 13 2.817 -5.297 -3.869 1.00 0.00 C ATOM 186 CG2 ILE A 13 4.211 -3.450 -4.723 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.550 -6.428 -2.884 1.00 0.00 C ATOM 0 H ILE A 13 5.443 -6.568 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 13 4.860 -5.971 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 13 4.538 -4.536 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.115 -4.489 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.600 -5.659 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.479 -2.752 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.196 -2.982 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.931 -3.715 -5.743 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.516 -6.758 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.218 -7.262 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.725 -6.074 -1.868 1.00 0.00 H new ATOM 199 N LEU A 14 7.599 -4.948 -3.875 1.00 0.00 N ATOM 200 CA LEU A 14 8.851 -4.189 -4.034 1.00 0.00 C ATOM 201 C LEU A 14 9.860 -4.916 -4.942 1.00 0.00 C ATOM 202 O LEU A 14 10.231 -4.385 -5.986 1.00 0.00 O ATOM 203 CB LEU A 14 9.470 -3.870 -2.645 1.00 0.00 C ATOM 204 CG LEU A 14 9.922 -2.408 -2.489 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.556 -2.226 -1.109 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.915 -1.988 -3.582 1.00 0.00 C ATOM 0 H LEU A 14 7.539 -5.449 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 14 8.607 -3.249 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.739 -4.099 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.325 -4.525 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 14 9.044 -1.770 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.879 -1.192 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.825 -2.468 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.417 -2.888 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.205 -0.948 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.800 -2.623 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.446 -2.094 -4.560 1.00 0.00 H new ATOM 218 N LEU A 15 10.303 -6.124 -4.545 1.00 0.00 N ATOM 219 CA LEU A 15 11.371 -6.864 -5.235 1.00 0.00 C ATOM 220 C LEU A 15 10.881 -8.056 -6.049 1.00 0.00 C ATOM 221 O LEU A 15 11.619 -8.517 -6.917 1.00 0.00 O ATOM 222 CB LEU A 15 12.418 -7.371 -4.230 1.00 0.00 C ATOM 223 CG LEU A 15 13.163 -6.271 -3.446 1.00 0.00 C ATOM 224 CD1 LEU A 15 14.066 -6.919 -2.398 1.00 0.00 C ATOM 225 CD2 LEU A 15 14.007 -5.375 -4.362 1.00 0.00 C ATOM 0 H LEU A 15 9.927 -6.614 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 15 11.804 -6.145 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.924 -8.031 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.152 -7.973 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 15 12.413 -5.641 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.594 -6.143 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.460 -7.509 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.790 -7.567 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.512 -4.616 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.749 -5.982 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.360 -4.890 -5.093 1.00 0.00 H new ATOM 237 N ASN A 16 9.712 -8.619 -5.726 1.00 0.00 N ATOM 238 CA ASN A 16 9.074 -9.575 -6.644 1.00 0.00 C ATOM 239 C ASN A 16 8.153 -8.852 -7.663 1.00 0.00 C ATOM 240 O ASN A 16 7.825 -9.452 -8.688 1.00 0.00 O ATOM 241 CB ASN A 16 8.254 -10.652 -5.904 1.00 0.00 C ATOM 242 CG ASN A 16 9.092 -11.683 -5.132 1.00 0.00 C ATOM 243 OD1 ASN A 16 9.335 -12.792 -5.607 1.00 0.00 O ATOM 244 ND2 ASN A 16 9.542 -11.334 -3.938 1.00 0.00 N ATOM 0 H ASN A 16 9.199 -8.439 -4.863 1.00 0.00 H new ATOM 0 HA ASN A 16 9.890 -10.068 -7.172 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.578 -10.158 -5.206 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.634 -11.179 -6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.102 -11.989 -3.393 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.329 -10.410 -3.563 1.00 0.00 H new ATOM 251 N GLY A 17 7.738 -7.602 -7.373 1.00 0.00 N ATOM 252 CA GLY A 17 6.764 -6.833 -8.143 1.00 0.00 C ATOM 253 C GLY A 17 5.323 -7.285 -7.974 1.00 0.00 C ATOM 254 O GLY A 17 5.020 -8.463 -7.810 1.00 0.00 O ATOM 0 H GLY A 17 8.091 -7.090 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.838 -5.785 -7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.028 -6.892 -9.199 1.00 0.00 H new ATOM 258 N ALA A 18 4.410 -6.338 -8.110 1.00 0.00 N ATOM 259 CA ALA A 18 2.975 -6.562 -8.093 1.00 0.00 C ATOM 260 C ALA A 18 2.456 -7.326 -9.350 1.00 0.00 C ATOM 261 O ALA A 18 3.179 -7.708 -10.275 1.00 0.00 O ATOM 262 CB ALA A 18 2.304 -5.190 -7.904 1.00 0.00 C ATOM 0 H ALA A 18 4.657 -5.357 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 18 2.714 -7.223 -7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.221 -5.314 -7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.635 -4.750 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.580 -4.533 -8.729 1.00 0.00 H new ATOM 268 N ARG A 19 1.120 -7.369 -9.422 1.00 0.00 N ATOM 269 CA ARG A 19 0.363 -7.082 -10.655 1.00 0.00 C ATOM 270 C ARG A 19 0.863 -5.833 -11.388 1.00 0.00 C ATOM 271 O ARG A 19 1.891 -5.236 -11.101 1.00 0.00 O ATOM 272 CB ARG A 19 -1.121 -6.974 -10.221 1.00 0.00 C ATOM 273 CG ARG A 19 -1.873 -8.280 -10.495 1.00 0.00 C ATOM 274 CD ARG A 19 -1.526 -9.455 -9.559 1.00 0.00 C ATOM 275 NE ARG A 19 -1.573 -10.745 -10.271 1.00 0.00 N ATOM 276 CZ ARG A 19 -0.548 -11.354 -10.880 1.00 0.00 C ATOM 277 NH1 ARG A 19 0.705 -11.005 -10.659 1.00 0.00 N ATOM 278 NH2 ARG A 19 -0.766 -12.353 -11.712 1.00 0.00 N ATOM 0 H ARG A 19 0.528 -7.604 -8.626 1.00 0.00 H new ATOM 0 HA ARG A 19 0.499 -7.877 -11.389 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.176 -6.735 -9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.601 -6.155 -10.757 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.943 -8.085 -10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.673 -8.585 -11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.531 -9.306 -9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.225 -9.474 -8.723 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.475 -11.220 -10.303 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.917 -10.250 -10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.462 -11.490 -11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.720 -12.666 -11.895 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.019 -12.813 -12.173 1.00 0.00 H new ATOM 292 N ASP A 20 0.076 -5.482 -12.404 1.00 0.00 N ATOM 293 CA ASP A 20 0.058 -4.321 -13.271 1.00 0.00 C ATOM 294 C ASP A 20 0.330 -2.929 -12.639 1.00 0.00 C ATOM 295 O ASP A 20 0.288 -1.922 -13.363 1.00 0.00 O ATOM 296 CB ASP A 20 -1.342 -4.402 -13.834 1.00 0.00 C ATOM 297 CG ASP A 20 -1.452 -5.575 -14.823 1.00 0.00 C ATOM 298 OD1 ASP A 20 -1.821 -6.667 -14.316 1.00 0.00 O ATOM 299 OD2 ASP A 20 -1.009 -5.440 -15.995 1.00 0.00 O1- ATOM 0 H ASP A 20 -0.680 -6.113 -12.671 1.00 0.00 H new ATOM 0 HA ASP A 20 0.885 -4.368 -13.979 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.060 -4.531 -13.024 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.594 -3.468 -14.337 1.00 0.00 H new ATOM 304 N TRP A 21 0.527 -2.839 -11.322 1.00 0.00 N ATOM 305 CA TRP A 21 1.005 -1.629 -10.698 1.00 0.00 C ATOM 306 C TRP A 21 2.431 -1.261 -11.144 1.00 0.00 C ATOM 307 O TRP A 21 3.224 -2.059 -11.631 1.00 0.00 O ATOM 308 CB TRP A 21 0.797 -1.691 -9.186 1.00 0.00 C ATOM 309 CG TRP A 21 -0.630 -1.905 -8.768 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.537 -2.770 -9.302 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.399 -1.077 -7.852 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.787 -2.521 -8.805 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.771 -1.473 -7.918 1.00 0.00 C ATOM 314 CE3 TRP A 21 -1.088 0.026 -7.037 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.768 -0.826 -7.173 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -2.103 0.785 -6.427 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.434 0.351 -6.486 1.00 0.00 C ATOM 0 H TRP A 21 0.357 -3.606 -10.671 1.00 0.00 H new ATOM 0 HA TRP A 21 0.403 -0.790 -11.049 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.408 -2.497 -8.780 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.158 -0.763 -8.743 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.302 -3.544 -10.018 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.623 -3.046 -9.060 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.054 0.294 -6.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.771 -1.225 -7.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.856 1.702 -5.913 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.208 0.926 -6.000 1.00 0.00 H new ATOM 328 N ASP A 22 2.700 0.023 -10.946 1.00 0.00 N ATOM 329 CA ASP A 22 3.880 0.781 -11.365 1.00 0.00 C ATOM 330 C ASP A 22 4.573 1.288 -10.109 1.00 0.00 C ATOM 331 O ASP A 22 3.979 1.924 -9.240 1.00 0.00 O ATOM 332 CB ASP A 22 3.393 1.908 -12.334 1.00 0.00 C ATOM 333 CG ASP A 22 4.355 3.075 -12.612 1.00 0.00 C ATOM 334 OD1 ASP A 22 5.468 3.084 -12.173 1.00 0.00 O ATOM 335 OD2 ASP A 22 3.827 4.055 -13.302 1.00 0.00 O1- ATOM 0 H ASP A 22 2.041 0.617 -10.443 1.00 0.00 H new ATOM 0 HA ASP A 22 4.614 0.187 -11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.143 1.445 -13.288 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.470 2.323 -11.929 1.00 0.00 H new ATOM 340 N VAL A 23 5.853 0.968 -9.969 1.00 0.00 N ATOM 341 CA VAL A 23 6.401 0.625 -8.659 1.00 0.00 C ATOM 342 C VAL A 23 7.083 1.884 -8.210 1.00 0.00 C ATOM 343 O VAL A 23 8.058 2.341 -8.805 1.00 0.00 O ATOM 344 CB VAL A 23 7.337 -0.603 -8.693 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.198 -0.762 -7.428 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.513 -1.894 -8.871 1.00 0.00 C ATOM 0 H VAL A 23 6.526 0.938 -10.735 1.00 0.00 H new ATOM 0 HA VAL A 23 5.627 0.310 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 23 8.008 -0.435 -9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.829 -1.646 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.826 0.120 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.550 -0.873 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.183 -2.753 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.817 -1.999 -8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.956 -1.844 -9.806 1.00 0.00 H new ATOM 356 N LEU A 24 6.407 2.491 -7.248 1.00 0.00 N ATOM 357 CA LEU A 24 6.682 3.824 -6.796 1.00 0.00 C ATOM 358 C LEU A 24 6.944 3.761 -5.305 1.00 0.00 C ATOM 359 O LEU A 24 6.045 3.533 -4.492 1.00 0.00 O ATOM 360 CB LEU A 24 5.477 4.707 -7.102 1.00 0.00 C ATOM 361 CG LEU A 24 5.480 5.666 -8.296 1.00 0.00 C ATOM 362 CD1 LEU A 24 6.595 6.688 -8.106 1.00 0.00 C ATOM 363 CD2 LEU A 24 5.588 4.973 -9.651 1.00 0.00 C ATOM 0 H LEU A 24 5.633 2.048 -6.753 1.00 0.00 H new ATOM 0 HA LEU A 24 7.552 4.246 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.621 4.045 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.288 5.307 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 24 4.510 6.163 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.606 7.376 -8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.424 7.246 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.554 6.173 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.583 5.721 -10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.516 4.403 -9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.742 4.299 -9.783 1.00 0.00 H new ATOM 375 N GLN A 25 8.170 4.132 -4.974 1.00 0.00 N ATOM 376 CA GLN A 25 8.535 4.562 -3.638 1.00 0.00 C ATOM 377 C GLN A 25 8.513 6.081 -3.604 1.00 0.00 C ATOM 378 O GLN A 25 9.495 6.792 -3.825 1.00 0.00 O ATOM 379 CB GLN A 25 9.837 3.944 -3.163 1.00 0.00 C ATOM 380 CG GLN A 25 9.595 2.463 -2.864 1.00 0.00 C ATOM 381 CD GLN A 25 10.130 1.552 -3.949 1.00 0.00 C ATOM 382 OE1 GLN A 25 11.325 1.468 -4.167 1.00 0.00 O ATOM 383 NE2 GLN A 25 9.266 0.856 -4.659 1.00 0.00 N ATOM 0 H GLN A 25 8.947 4.142 -5.634 1.00 0.00 H new ATOM 0 HA GLN A 25 7.805 4.197 -2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.608 4.055 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.195 4.456 -2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.066 2.207 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.525 2.291 -2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.267 0.935 -4.467 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.596 0.238 -5.401 1.00 0.00 H new ATOM 392 N THR A 26 7.311 6.527 -3.265 1.00 0.00 N ATOM 393 CA THR A 26 7.013 7.851 -2.735 1.00 0.00 C ATOM 394 C THR A 26 6.397 7.637 -1.346 1.00 0.00 C ATOM 395 O THR A 26 6.387 6.513 -0.839 1.00 0.00 O ATOM 396 CB THR A 26 6.227 8.678 -3.765 1.00 0.00 C ATOM 397 OG1 THR A 26 5.945 9.952 -3.240 1.00 0.00 O ATOM 398 CG2 THR A 26 4.933 8.055 -4.292 1.00 0.00 C ATOM 0 H THR A 26 6.477 5.947 -3.357 1.00 0.00 H new ATOM 0 HA THR A 26 7.888 8.481 -2.576 1.00 0.00 H new ATOM 0 HB THR A 26 6.889 8.727 -4.630 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.446 10.475 -3.901 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.470 8.731 -5.010 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.158 7.107 -4.780 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.248 7.883 -3.462 1.00 0.00 H new ATOM 406 N THR A 27 6.028 8.707 -0.658 1.00 0.00 N ATOM 407 CA THR A 27 5.341 8.656 0.635 1.00 0.00 C ATOM 408 C THR A 27 4.250 9.697 0.522 1.00 0.00 C ATOM 409 O THR A 27 4.528 10.810 0.070 1.00 0.00 O ATOM 410 CB THR A 27 6.294 9.031 1.759 1.00 0.00 C ATOM 411 OG1 THR A 27 6.924 10.258 1.493 1.00 0.00 O ATOM 412 CG2 THR A 27 7.368 7.970 2.021 1.00 0.00 C ATOM 0 H THR A 27 6.199 9.658 -0.985 1.00 0.00 H new ATOM 0 HA THR A 27 4.957 7.661 0.859 1.00 0.00 H new ATOM 0 HB THR A 27 5.677 9.108 2.654 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.335 10.816 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.014 8.300 2.834 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.891 7.029 2.295 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.964 7.825 1.120 1.00 0.00 H new ATOM 420 N CYS A 28 3.048 9.406 0.999 1.00 0.00 N ATOM 421 CA CYS A 28 1.881 10.189 0.612 1.00 0.00 C ATOM 422 C CYS A 28 1.038 10.617 1.778 1.00 0.00 C ATOM 423 O CYS A 28 0.734 9.820 2.660 1.00 0.00 O ATOM 424 CB CYS A 28 1.037 9.305 -0.257 1.00 0.00 C ATOM 425 SG CYS A 28 -0.335 10.180 -1.052 1.00 0.00 S ATOM 0 H CYS A 28 2.855 8.643 1.647 1.00 0.00 H new ATOM 0 HA CYS A 28 2.229 11.094 0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.666 8.856 -1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.638 8.489 0.346 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.883 9.409 -1.944 1.00 0.00 H new ATOM 431 N THR A 29 0.676 11.883 1.749 1.00 0.00 N ATOM 432 CA THR A 29 0.227 12.632 2.896 1.00 0.00 C ATOM 433 C THR A 29 -1.264 12.853 2.863 1.00 0.00 C ATOM 434 O THR A 29 -1.789 13.600 2.044 1.00 0.00 O ATOM 435 CB THR A 29 0.879 14.025 2.984 1.00 0.00 C ATOM 436 OG1 THR A 29 2.192 14.036 2.532 1.00 0.00 O ATOM 437 CG2 THR A 29 0.769 14.631 4.381 1.00 0.00 C ATOM 0 H THR A 29 0.688 12.436 0.892 1.00 0.00 H new ATOM 0 HA THR A 29 0.515 12.030 3.758 1.00 0.00 H new ATOM 0 HB THR A 29 0.307 14.660 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.557 14.942 2.608 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.244 15.612 4.390 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.282 14.734 4.651 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.267 13.980 5.100 1.00 0.00 H new ATOM 445 N VAL A 30 -1.938 12.238 3.815 1.00 0.00 N ATOM 446 CA VAL A 30 -3.402 12.267 3.986 1.00 0.00 C ATOM 447 C VAL A 30 -3.743 12.106 5.504 1.00 0.00 C ATOM 448 O VAL A 30 -3.054 11.384 6.228 1.00 0.00 O ATOM 449 CB VAL A 30 -4.040 11.178 3.075 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.543 10.991 3.323 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.844 11.424 1.565 1.00 0.00 C ATOM 0 H VAL A 30 -1.473 11.677 4.528 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.826 13.221 3.673 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.499 10.276 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.928 10.219 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.707 10.692 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.063 11.929 3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.318 10.621 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.297 12.377 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.779 11.449 1.336 1.00 0.00 H new ATOM 461 N ASP A 31 -4.723 12.869 5.999 1.00 0.00 N ATOM 462 CA ASP A 31 -5.313 12.828 7.357 1.00 0.00 C ATOM 463 C ASP A 31 -4.418 13.339 8.475 1.00 0.00 C ATOM 464 O ASP A 31 -4.627 13.071 9.661 1.00 0.00 O ATOM 465 CB ASP A 31 -5.800 11.421 7.734 1.00 0.00 C ATOM 466 CG ASP A 31 -7.212 11.480 8.356 1.00 0.00 C ATOM 467 OD1 ASP A 31 -7.394 10.966 9.480 1.00 0.00 O ATOM 468 OD2 ASP A 31 -8.138 12.099 7.773 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.163 13.588 5.424 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.152 13.520 7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.814 10.786 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.105 10.967 8.440 1.00 0.00 H new ATOM 473 N ARG A 32 -3.385 14.090 8.099 1.00 0.00 N ATOM 474 CA ARG A 32 -2.296 14.605 8.951 1.00 0.00 C ATOM 475 C ARG A 32 -1.264 13.504 9.268 1.00 0.00 C ATOM 476 O ARG A 32 -0.594 13.546 10.297 1.00 0.00 O ATOM 477 CB ARG A 32 -2.815 15.230 10.280 1.00 0.00 C ATOM 478 CG ARG A 32 -4.056 16.164 10.147 1.00 0.00 C ATOM 479 CD ARG A 32 -4.925 16.159 11.438 1.00 0.00 C ATOM 480 NE ARG A 32 -5.570 14.853 11.647 1.00 0.00 N ATOM 481 CZ ARG A 32 -6.220 14.448 12.717 1.00 0.00 C ATOM 482 NH1 ARG A 32 -6.567 15.270 13.688 1.00 0.00 N ATOM 483 NH2 ARG A 32 -6.691 13.231 12.718 1.00 0.00 N ATOM 0 H ARG A 32 -3.272 14.379 7.127 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.815 15.396 8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.063 14.422 10.968 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.003 15.797 10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.725 17.181 9.936 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.662 15.844 9.300 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.301 16.400 12.299 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.687 16.936 11.369 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.506 14.188 10.877 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.332 16.261 13.626 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.071 14.915 14.501 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.550 12.629 11.907 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.200 12.882 13.530 1.00 0.00 H new ATOM 497 N LYS A 33 -1.171 12.514 8.390 1.00 0.00 N ATOM 498 CA LYS A 33 -0.245 11.381 8.393 1.00 0.00 C ATOM 499 C LYS A 33 0.359 11.264 6.992 1.00 0.00 C ATOM 500 O LYS A 33 -0.220 11.700 6.003 1.00 0.00 O ATOM 501 CB LYS A 33 -1.047 10.185 8.868 1.00 0.00 C ATOM 502 CG LYS A 33 -0.344 8.924 8.509 1.00 0.00 C ATOM 503 CD LYS A 33 -0.841 7.855 9.462 1.00 0.00 C ATOM 504 CE LYS A 33 0.088 6.692 9.602 1.00 0.00 C ATOM 505 NZ LYS A 33 1.440 6.788 8.996 1.00 0.00 N ATOM 0 H LYS A 33 -1.796 12.477 7.585 1.00 0.00 H new ATOM 0 HA LYS A 33 0.607 11.482 9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.188 10.237 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.039 10.199 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.552 8.647 7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.736 9.046 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.999 8.302 10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.810 7.495 9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.215 6.496 10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.406 5.820 9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.840 5.834 8.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.371 7.244 8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.057 7.354 9.613 1.00 0.00 H new ATOM 519 N VAL A 34 1.523 10.641 6.866 1.00 0.00 N ATOM 520 CA VAL A 34 2.072 10.233 5.572 1.00 0.00 C ATOM 521 C VAL A 34 2.110 8.698 5.561 1.00 0.00 C ATOM 522 O VAL A 34 2.220 8.079 6.613 1.00 0.00 O ATOM 523 CB VAL A 34 3.487 10.797 5.338 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.603 9.804 5.079 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.488 11.913 4.312 1.00 0.00 C ATOM 0 H VAL A 34 2.118 10.402 7.659 1.00 0.00 H new ATOM 0 HA VAL A 34 1.445 10.625 4.771 1.00 0.00 H new ATOM 0 HB VAL A 34 3.743 11.198 6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.541 10.340 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.698 9.133 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.373 9.224 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.505 12.282 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.110 11.534 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.850 12.726 4.658 1.00 0.00 H new ATOM 535 N TYR A 35 2.030 8.096 4.382 1.00 0.00 N ATOM 536 CA TYR A 35 1.997 6.652 4.163 1.00 0.00 C ATOM 537 C TYR A 35 2.987 6.249 3.095 1.00 0.00 C ATOM 538 O TYR A 35 3.000 6.814 2.007 1.00 0.00 O ATOM 539 CB TYR A 35 0.601 6.296 3.684 1.00 0.00 C ATOM 540 CG TYR A 35 -0.449 6.649 4.685 1.00 0.00 C ATOM 541 CD1 TYR A 35 -0.626 5.789 5.775 1.00 0.00 C ATOM 542 CD2 TYR A 35 -1.172 7.851 4.559 1.00 0.00 C ATOM 543 CE1 TYR A 35 -1.633 6.094 6.716 1.00 0.00 C ATOM 544 CE2 TYR A 35 -2.185 8.153 5.487 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.467 7.228 6.519 1.00 0.00 C ATOM 546 OH TYR A 35 -3.501 7.463 7.367 1.00 0.00 O ATOM 0 H TYR A 35 1.984 8.624 3.510 1.00 0.00 H new ATOM 0 HA TYR A 35 2.253 6.135 5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.397 6.816 2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.553 5.228 3.472 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.006 4.912 5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.950 8.537 3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.770 5.467 7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.739 9.077 5.413 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.970 8.278 7.093 1.00 0.00 H new ATOM 556 N LYS A 36 3.821 5.252 3.345 1.00 0.00 N ATOM 557 CA LYS A 36 4.927 4.968 2.436 1.00 0.00 C ATOM 558 C LYS A 36 4.477 4.029 1.315 1.00 0.00 C ATOM 559 O LYS A 36 4.011 2.922 1.575 1.00 0.00 O ATOM 560 CB LYS A 36 6.121 4.445 3.220 1.00 0.00 C ATOM 561 CG LYS A 36 6.377 5.056 4.620 1.00 0.00 C ATOM 562 CD LYS A 36 7.631 4.475 5.293 1.00 0.00 C ATOM 563 CE LYS A 36 8.940 4.783 4.546 1.00 0.00 C ATOM 564 NZ LYS A 36 9.401 6.176 4.754 1.00 0.00 N ATOM 0 H LYS A 36 3.759 4.634 4.154 1.00 0.00 H new ATOM 0 HA LYS A 36 5.249 5.888 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.000 3.368 3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.015 4.600 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.485 6.137 4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.510 4.876 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.702 4.868 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.518 3.394 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.716 4.094 4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.796 4.607 3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.286 6.331 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.675 6.837 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.566 6.339 5.768 1.00 0.00 H new ATOM 578 N THR A 37 4.532 4.509 0.068 1.00 0.00 N ATOM 579 CA THR A 37 3.956 3.876 -1.115 1.00 0.00 C ATOM 580 C THR A 37 4.938 2.837 -1.632 1.00 0.00 C ATOM 581 O THR A 37 6.159 2.968 -1.479 1.00 0.00 O ATOM 582 CB THR A 37 3.518 4.884 -2.182 1.00 0.00 C ATOM 583 OG1 THR A 37 4.577 5.198 -3.042 1.00 0.00 O ATOM 584 CG2 THR A 37 2.996 6.209 -1.617 1.00 0.00 C ATOM 0 H THR A 37 5.001 5.388 -0.150 1.00 0.00 H new ATOM 0 HA THR A 37 3.029 3.375 -0.837 1.00 0.00 H new ATOM 0 HB THR A 37 2.703 4.384 -2.706 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.751 4.439 -3.637 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.707 6.866 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.130 6.018 -0.983 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.779 6.687 -1.028 1.00 0.00 H new ATOM 592 N ILE A 38 4.393 1.814 -2.276 1.00 0.00 N ATOM 593 CA ILE A 38 5.171 0.761 -2.932 1.00 0.00 C ATOM 594 C ILE A 38 4.948 0.782 -4.434 1.00 0.00 C ATOM 595 O ILE A 38 5.873 0.512 -5.197 1.00 0.00 O ATOM 596 CB ILE A 38 4.739 -0.655 -2.485 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.087 -0.667 -1.083 1.00 0.00 C ATOM 598 CG2 ILE A 38 6.038 -1.495 -2.496 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.602 -2.057 -0.683 1.00 0.00 C ATOM 0 H ILE A 38 3.385 1.686 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 38 6.208 0.959 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 38 3.976 -1.054 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.807 -0.310 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.246 0.027 -1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.813 -2.516 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.458 -1.502 -3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.759 -1.059 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.152 -2.014 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.861 -2.405 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.446 -2.747 -0.669 1.00 0.00 H new ATOM 611 N CYS A 39 3.684 0.965 -4.798 1.00 0.00 N ATOM 612 CA CYS A 39 3.223 0.807 -6.146 1.00 0.00 C ATOM 613 C CYS A 39 2.061 1.710 -6.314 1.00 0.00 C ATOM 614 O CYS A 39 1.349 2.066 -5.371 1.00 0.00 O ATOM 615 CB CYS A 39 2.855 -0.652 -6.389 1.00 0.00 C ATOM 616 SG CYS A 39 1.584 -1.345 -5.297 1.00 0.00 S ATOM 0 H CYS A 39 2.949 1.232 -4.143 1.00 0.00 H new ATOM 0 HA CYS A 39 3.991 1.066 -6.874 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.515 -0.753 -7.420 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.758 -1.255 -6.291 1.00 0.00 H new ATOM 0 HG CYS A 39 0.408 -0.982 -5.715 1.00 0.00 H new ATOM 622 N LYS A 40 1.840 2.009 -7.568 1.00 0.00 N ATOM 623 CA LYS A 40 0.807 2.845 -7.995 1.00 0.00 C ATOM 624 C LYS A 40 0.126 2.263 -9.224 1.00 0.00 C ATOM 625 O LYS A 40 0.791 1.786 -10.139 1.00 0.00 O ATOM 626 CB LYS A 40 1.476 4.175 -8.294 1.00 0.00 C ATOM 627 CG LYS A 40 0.566 5.246 -8.873 1.00 0.00 C ATOM 628 CD LYS A 40 1.347 6.184 -9.796 1.00 0.00 C ATOM 629 CE LYS A 40 1.696 5.454 -11.096 1.00 0.00 C ATOM 630 NZ LYS A 40 2.756 6.156 -11.853 1.00 0.00 N ATOM 0 H LYS A 40 2.412 1.649 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 40 0.023 2.958 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.917 4.556 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.295 4.002 -8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.247 4.777 -9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.112 5.819 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.754 7.072 -10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.258 6.522 -9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.024 4.440 -10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.803 5.368 -11.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.257 5.476 -12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.328 6.898 -12.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.429 6.588 -11.188 1.00 0.00 H new ATOM 644 N ARG A 41 -1.197 2.327 -9.286 1.00 0.00 N ATOM 645 CA ARG A 41 -1.886 2.148 -10.545 1.00 0.00 C ATOM 646 C ARG A 41 -2.834 3.303 -10.789 1.00 0.00 C ATOM 647 O ARG A 41 -3.745 3.564 -10.019 1.00 0.00 O ATOM 648 CB ARG A 41 -2.598 0.801 -10.586 1.00 0.00 C ATOM 649 CG ARG A 41 -2.907 0.514 -12.068 1.00 0.00 C ATOM 650 CD ARG A 41 -4.048 -0.499 -12.167 1.00 0.00 C ATOM 651 NE ARG A 41 -4.221 -1.002 -13.536 1.00 0.00 N ATOM 652 CZ ARG A 41 -5.127 -0.585 -14.407 1.00 0.00 C ATOM 653 NH1 ARG A 41 -6.087 0.261 -14.094 1.00 0.00 N ATOM 654 NH2 ARG A 41 -5.163 -1.116 -15.601 1.00 0.00 N ATOM 0 H ARG A 41 -1.805 2.500 -8.485 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.155 2.145 -11.354 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.970 0.017 -10.162 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.515 0.829 -9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.182 1.437 -12.578 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.019 0.126 -12.567 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.850 -1.335 -11.496 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.975 -0.034 -11.832 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.586 -1.739 -13.843 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.156 0.625 -13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.761 0.552 -14.802 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.497 -1.845 -15.855 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.857 -0.801 -16.278 1.00 0.00 H new ATOM 668 N GLY A 42 -2.537 4.030 -11.839 1.00 0.00 N ATOM 669 CA GLY A 42 -3.282 5.220 -12.136 1.00 0.00 C ATOM 670 C GLY A 42 -3.110 6.267 -11.059 1.00 0.00 C ATOM 671 O GLY A 42 -1.994 6.564 -10.666 1.00 0.00 O ATOM 0 H GLY A 42 -1.787 3.816 -12.497 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.955 5.625 -13.094 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.339 4.973 -12.238 1.00 0.00 H new ATOM 675 N ASN A 43 -4.231 6.768 -10.569 1.00 0.00 N ATOM 676 CA ASN A 43 -4.262 7.711 -9.446 1.00 0.00 C ATOM 677 C ASN A 43 -4.317 7.012 -8.069 1.00 0.00 C ATOM 678 O ASN A 43 -4.556 7.676 -7.046 1.00 0.00 O ATOM 679 CB ASN A 43 -5.415 8.735 -9.642 1.00 0.00 C ATOM 680 CG ASN A 43 -6.782 8.418 -9.073 1.00 0.00 C ATOM 681 OD1 ASN A 43 -7.453 9.242 -8.473 1.00 0.00 O ATOM 682 ND2 ASN A 43 -7.234 7.192 -9.221 1.00 0.00 N ATOM 0 H ASN A 43 -5.154 6.536 -10.936 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.318 8.256 -9.445 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.091 9.682 -9.211 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.534 8.896 -10.713 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.142 6.933 -8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.677 6.500 -9.722 1.00 0.00 H new ATOM 689 N THR A 44 -4.114 5.672 -8.020 1.00 0.00 N ATOM 690 CA THR A 44 -4.032 4.917 -6.749 1.00 0.00 C ATOM 691 C THR A 44 -2.610 4.441 -6.430 1.00 0.00 C ATOM 692 O THR A 44 -1.825 4.207 -7.336 1.00 0.00 O ATOM 693 CB THR A 44 -5.112 3.838 -6.635 1.00 0.00 C ATOM 694 OG1 THR A 44 -5.113 3.243 -5.346 1.00 0.00 O ATOM 695 CG2 THR A 44 -5.153 2.739 -7.688 1.00 0.00 C ATOM 0 H THR A 44 -4.004 5.092 -8.852 1.00 0.00 H new ATOM 0 HA THR A 44 -4.264 5.620 -5.948 1.00 0.00 H new ATOM 0 HB THR A 44 -6.015 4.419 -6.824 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.021 2.950 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.972 2.054 -7.468 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.306 3.183 -8.672 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.210 2.192 -7.679 1.00 0.00 H new ATOM 703 N TYR A 45 -2.265 4.408 -5.146 1.00 0.00 N ATOM 704 CA TYR A 45 -0.952 4.403 -4.543 1.00 0.00 C ATOM 705 C TYR A 45 -1.197 3.581 -3.316 1.00 0.00 C ATOM 706 O TYR A 45 -1.998 3.933 -2.441 1.00 0.00 O ATOM 707 CB TYR A 45 -0.456 5.770 -4.066 1.00 0.00 C ATOM 708 CG TYR A 45 0.010 6.668 -5.170 1.00 0.00 C ATOM 709 CD1 TYR A 45 -0.948 7.242 -6.013 1.00 0.00 C ATOM 710 CD2 TYR A 45 1.386 6.910 -5.371 1.00 0.00 C ATOM 711 CE1 TYR A 45 -0.541 8.098 -7.055 1.00 0.00 C ATOM 712 CE2 TYR A 45 1.800 7.771 -6.404 1.00 0.00 C ATOM 713 CZ TYR A 45 0.833 8.390 -7.232 1.00 0.00 C ATOM 714 OH TYR A 45 1.219 9.234 -8.227 1.00 0.00 O ATOM 0 H TYR A 45 -2.989 4.381 -4.428 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.204 4.056 -5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.259 6.267 -3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.363 5.623 -3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.996 7.029 -5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.118 6.436 -4.734 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.276 8.531 -7.718 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.851 7.959 -6.565 1.00 0.00 H new ATOM 0 HH TYR A 45 2.194 9.331 -8.214 1.00 0.00 H new ATOM 724 N LEU A 46 -0.573 2.428 -3.309 1.00 0.00 N ATOM 725 CA LEU A 46 -0.723 1.498 -2.247 1.00 0.00 C ATOM 726 C LEU A 46 0.468 1.637 -1.332 1.00 0.00 C ATOM 727 O LEU A 46 1.622 1.640 -1.774 1.00 0.00 O ATOM 728 CB LEU A 46 -0.889 0.160 -2.920 1.00 0.00 C ATOM 729 CG LEU A 46 -2.341 -0.260 -3.199 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.820 -1.251 -2.117 1.00 0.00 C ATOM 731 CD2 LEU A 46 -3.369 0.877 -3.229 1.00 0.00 C ATOM 0 H LEU A 46 0.055 2.119 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.587 1.653 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.345 0.177 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.421 -0.602 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.299 -0.692 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.850 -1.544 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.183 -2.135 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.766 -0.775 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.358 0.468 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.379 1.384 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.102 1.588 -4.011 1.00 0.00 H new ATOM 743 N CYS A 47 0.132 1.837 -0.062 1.00 0.00 N ATOM 744 CA CYS A 47 1.031 2.326 0.961 1.00 0.00 C ATOM 745 C CYS A 47 0.892 1.484 2.213 1.00 0.00 C ATOM 746 O CYS A 47 -0.144 0.859 2.416 1.00 0.00 O ATOM 747 CB CYS A 47 0.717 3.805 1.273 1.00 0.00 C ATOM 748 SG CYS A 47 0.213 4.748 -0.203 1.00 0.00 S ATOM 0 H CYS A 47 -0.808 1.655 0.289 1.00 0.00 H new ATOM 0 HA CYS A 47 2.057 2.254 0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.077 3.853 2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.597 4.273 1.714 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.786 4.149 -0.781 1.00 0.00 H new ATOM 754 N PHE A 48 1.909 1.522 3.057 1.00 0.00 N ATOM 755 CA PHE A 48 1.948 0.787 4.307 1.00 0.00 C ATOM 756 C PHE A 48 2.431 1.674 5.450 1.00 0.00 C ATOM 757 O PHE A 48 3.098 2.694 5.233 1.00 0.00 O ATOM 758 CB PHE A 48 2.787 -0.477 4.136 1.00 0.00 C ATOM 759 CG PHE A 48 4.283 -0.308 4.097 1.00 0.00 C ATOM 760 CD1 PHE A 48 4.905 0.138 2.920 1.00 0.00 C ATOM 761 CD2 PHE A 48 5.060 -0.722 5.188 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.306 0.168 2.829 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.460 -0.750 5.082 1.00 0.00 C ATOM 764 CZ PHE A 48 7.089 -0.293 3.907 1.00 0.00 C ATOM 0 H PHE A 48 2.748 2.077 2.887 1.00 0.00 H new ATOM 0 HA PHE A 48 0.939 0.474 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.545 -1.157 4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.478 -0.966 3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.304 0.459 2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.582 -1.019 6.110 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.783 0.543 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.055 -1.122 5.902 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.166 -0.296 3.832 1.00 0.00 H new ATOM 774 N ASP A 49 2.106 1.267 6.681 1.00 0.00 N ATOM 775 CA ASP A 49 2.771 1.802 7.880 1.00 0.00 C ATOM 776 C ASP A 49 3.363 0.651 8.730 1.00 0.00 C ATOM 777 O ASP A 49 3.577 -0.446 8.230 1.00 0.00 O ATOM 778 CB ASP A 49 1.793 2.546 8.776 1.00 0.00 C ATOM 779 CG ASP A 49 1.150 3.750 8.123 1.00 0.00 C ATOM 780 OD1 ASP A 49 1.896 4.585 7.558 1.00 0.00 O ATOM 781 OD2 ASP A 49 -0.047 3.947 8.392 1.00 0.00 O1- ATOM 0 H ASP A 49 1.388 0.570 6.876 1.00 0.00 H new ATOM 0 HA ASP A 49 3.550 2.477 7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.010 1.857 9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.316 2.870 9.676 1.00 0.00 H new ATOM 786 N ASP A 50 3.499 0.870 10.042 1.00 0.00 N ATOM 787 CA ASP A 50 3.987 -0.149 10.965 1.00 0.00 C ATOM 788 C ASP A 50 2.971 -1.262 11.229 1.00 0.00 C ATOM 789 O ASP A 50 3.249 -2.261 11.899 1.00 0.00 O ATOM 790 CB ASP A 50 4.434 0.493 12.284 1.00 0.00 C ATOM 791 CG ASP A 50 5.546 1.531 12.160 1.00 0.00 C ATOM 792 OD1 ASP A 50 5.251 2.744 12.189 1.00 0.00 O ATOM 793 OD2 ASP A 50 6.741 1.161 12.119 1.00 0.00 O1- ATOM 0 H ASP A 50 3.273 1.758 10.489 1.00 0.00 H new ATOM 0 HA ASP A 50 4.842 -0.620 10.481 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.569 0.965 12.751 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.769 -0.296 12.958 1.00 0.00 H new ATOM 798 N THR A 51 1.735 -1.081 10.725 1.00 0.00 N ATOM 799 CA THR A 51 0.511 -1.623 11.324 1.00 0.00 C ATOM 800 C THR A 51 -0.289 -2.491 10.341 1.00 0.00 C ATOM 801 O THR A 51 -0.947 -3.453 10.742 1.00 0.00 O ATOM 802 CB THR A 51 -0.404 -0.459 11.764 1.00 0.00 C ATOM 803 OG1 THR A 51 0.271 0.771 11.839 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.986 -0.751 13.138 1.00 0.00 C ATOM 0 H THR A 51 1.562 -0.544 9.875 1.00 0.00 H new ATOM 0 HA THR A 51 0.819 -2.240 12.168 1.00 0.00 H new ATOM 0 HB THR A 51 -1.183 -0.380 11.005 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.355 1.471 12.120 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.630 0.074 13.443 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.569 -1.671 13.098 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.177 -0.865 13.859 1.00 0.00 H new ATOM 812 N ASN A 52 -0.217 -2.130 9.061 1.00 0.00 N ATOM 813 CA ASN A 52 -1.084 -2.508 7.960 1.00 0.00 C ATOM 814 C ASN A 52 -0.838 -1.585 6.758 1.00 0.00 C ATOM 815 O ASN A 52 0.065 -0.755 6.755 1.00 0.00 O ATOM 816 CB ASN A 52 -2.570 -2.559 8.331 1.00 0.00 C ATOM 817 CG ASN A 52 -3.137 -1.273 8.922 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.440 -1.197 10.097 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.305 -0.281 8.098 1.00 0.00 N ATOM 0 H ASN A 52 0.524 -1.505 8.744 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.822 -3.531 7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.142 -2.813 7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.722 -3.367 9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.703 0.597 8.431 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.039 -0.381 7.118 1.00 0.00 H new ATOM 826 N LEU A 53 -1.662 -1.774 5.738 1.00 0.00 N ATOM 827 CA LEU A 53 -1.673 -0.997 4.521 1.00 0.00 C ATOM 828 C LEU A 53 -2.864 -0.070 4.429 1.00 0.00 C ATOM 829 O LEU A 53 -3.843 -0.186 5.171 1.00 0.00 O ATOM 830 CB LEU A 53 -1.615 -1.967 3.349 1.00 0.00 C ATOM 831 CG LEU A 53 -0.142 -2.275 3.098 1.00 0.00 C ATOM 832 CD1 LEU A 53 0.489 -3.213 4.113 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.017 -2.971 1.790 1.00 0.00 C ATOM 0 H LEU A 53 -2.371 -2.508 5.743 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.804 -0.339 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.167 -2.879 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.074 -1.529 2.463 1.00 0.00 H new ATOM 0 HG LEU A 53 0.347 -1.302 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.536 -3.376 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.424 -2.771 5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.039 -4.167 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.072 -3.187 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.547 -3.904 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.357 -2.332 0.990 1.00 0.00 H new ATOM 845 N TYR A 54 -2.798 0.825 3.446 1.00 0.00 N ATOM 846 CA TYR A 54 -3.829 1.769 3.081 1.00 0.00 C ATOM 847 C TYR A 54 -3.725 2.002 1.565 1.00 0.00 C ATOM 848 O TYR A 54 -2.605 2.099 1.040 1.00 0.00 O ATOM 849 CB TYR A 54 -3.713 3.110 3.835 1.00 0.00 C ATOM 850 CG TYR A 54 -3.429 3.039 5.330 1.00 0.00 C ATOM 851 CD1 TYR A 54 -4.410 3.483 6.234 1.00 0.00 C ATOM 852 CD2 TYR A 54 -2.223 2.517 5.840 1.00 0.00 C ATOM 853 CE1 TYR A 54 -4.208 3.412 7.622 1.00 0.00 C ATOM 854 CE2 TYR A 54 -2.079 2.309 7.221 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.044 2.801 8.125 1.00 0.00 C ATOM 856 OH TYR A 54 -2.904 2.620 9.465 1.00 0.00 O ATOM 0 H TYR A 54 -1.972 0.908 2.854 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.798 1.353 3.358 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.921 3.695 3.367 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.643 3.661 3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.337 3.886 5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.411 2.277 5.169 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.941 3.824 8.299 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.222 1.768 7.594 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.046 2.184 9.648 1.00 0.00 H new ATOM 866 N ALA A 55 -4.853 2.101 0.859 1.00 0.00 N ATOM 867 CA ALA A 55 -4.826 2.744 -0.444 1.00 0.00 C ATOM 868 C ALA A 55 -4.985 4.241 -0.222 1.00 0.00 C ATOM 869 O ALA A 55 -5.784 4.646 0.609 1.00 0.00 O ATOM 870 CB ALA A 55 -5.909 2.144 -1.354 1.00 0.00 C ATOM 0 H ALA A 55 -5.765 1.755 1.159 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.880 2.572 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.879 2.634 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.728 1.076 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.889 2.296 -0.902 1.00 0.00 H new ATOM 876 N ILE A 56 -4.225 5.056 -0.933 1.00 0.00 N ATOM 877 CA ILE A 56 -4.596 6.449 -1.141 1.00 0.00 C ATOM 878 C ILE A 56 -5.029 6.546 -2.581 1.00 0.00 C ATOM 879 O ILE A 56 -4.235 6.443 -3.504 1.00 0.00 O ATOM 880 CB ILE A 56 -3.470 7.407 -0.709 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.411 7.485 0.843 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.759 8.817 -1.255 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.390 6.559 1.511 1.00 0.00 C ATOM 0 H ILE A 56 -3.349 4.780 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.425 6.769 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.522 7.037 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.186 8.512 1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.400 7.253 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.963 9.496 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.809 8.783 -2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.710 9.173 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.431 6.692 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.622 5.523 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.390 6.802 1.153 1.00 0.00 H new ATOM 895 N THR A 57 -6.327 6.705 -2.787 1.00 0.00 N ATOM 896 CA THR A 57 -6.883 6.893 -4.139 1.00 0.00 C ATOM 897 C THR A 57 -7.040 8.416 -4.271 1.00 0.00 C ATOM 898 O THR A 57 -7.957 8.941 -3.665 1.00 0.00 O ATOM 899 CB THR A 57 -8.248 6.167 -4.298 1.00 0.00 C ATOM 900 OG1 THR A 57 -8.066 4.875 -3.816 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.626 6.086 -5.767 1.00 0.00 C ATOM 0 H THR A 57 -7.024 6.709 -2.042 1.00 0.00 H new ATOM 0 HA THR A 57 -6.242 6.472 -4.914 1.00 0.00 H new ATOM 0 HB THR A 57 -9.034 6.699 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.905 4.375 -3.894 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.584 5.576 -5.869 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.706 7.092 -6.178 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.860 5.532 -6.310 1.00 0.00 H new ATOM 909 N GLY A 58 -6.145 9.122 -4.991 1.00 0.00 N ATOM 910 CA GLY A 58 -5.980 10.630 -5.118 1.00 0.00 C ATOM 911 C GLY A 58 -5.516 11.140 -3.701 1.00 0.00 C ATOM 912 O GLY A 58 -4.370 11.388 -3.399 1.00 0.00 O ATOM 0 H GLY A 58 -5.449 8.635 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.243 10.878 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.917 11.101 -5.414 1.00 0.00 H new ATOM 916 N ASP A 59 -6.422 11.102 -2.731 1.00 0.00 N ATOM 917 CA ASP A 59 -6.389 11.822 -1.403 1.00 0.00 C ATOM 918 C ASP A 59 -7.306 11.080 -0.428 1.00 0.00 C ATOM 919 O ASP A 59 -7.671 11.599 0.623 1.00 0.00 O ATOM 920 CB ASP A 59 -6.915 13.258 -1.700 1.00 0.00 C ATOM 921 CG ASP A 59 -6.073 14.096 -2.693 1.00 0.00 C ATOM 922 OD1 ASP A 59 -5.066 14.726 -2.324 1.00 0.00 O ATOM 923 OD2 ASP A 59 -6.541 14.229 -3.883 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.267 10.538 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.396 11.863 -0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.929 13.179 -2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.978 13.803 -0.758 1.00 0.00 H new ATOM 928 N VAL A 60 -7.845 9.904 -0.812 1.00 0.00 N ATOM 929 CA VAL A 60 -8.739 9.067 -0.051 1.00 0.00 C ATOM 930 C VAL A 60 -7.988 7.907 0.625 1.00 0.00 C ATOM 931 O VAL A 60 -7.614 6.959 -0.056 1.00 0.00 O ATOM 932 CB VAL A 60 -9.841 8.457 -0.958 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.739 7.433 -0.210 1.00 0.00 C ATOM 934 CG2 VAL A 60 -10.714 9.588 -1.533 1.00 0.00 C ATOM 0 H VAL A 60 -7.640 9.505 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.189 9.707 0.708 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.338 7.915 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.491 7.040 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.124 6.614 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.233 7.926 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.489 9.162 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.179 10.140 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.093 10.264 -2.120 1.00 0.00 H new ATOM 944 N VAL A 61 -7.774 8.018 1.937 1.00 0.00 N ATOM 945 CA VAL A 61 -7.122 6.936 2.679 1.00 0.00 C ATOM 946 C VAL A 61 -8.098 5.831 3.000 1.00 0.00 C ATOM 947 O VAL A 61 -9.165 6.050 3.578 1.00 0.00 O ATOM 948 CB VAL A 61 -6.380 7.465 3.903 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.275 7.959 5.053 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.427 6.400 4.457 1.00 0.00 C ATOM 0 H VAL A 61 -8.036 8.828 2.499 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.360 6.492 2.039 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.840 8.336 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.651 8.314 5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.906 8.774 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.903 7.140 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.907 6.796 5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.997 5.516 4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.699 6.130 3.692 1.00 0.00 H new ATOM 960 N LEU A 62 -7.718 4.613 2.621 1.00 0.00 N ATOM 961 CA LEU A 62 -8.496 3.407 2.778 1.00 0.00 C ATOM 962 C LEU A 62 -7.645 2.340 3.442 1.00 0.00 C ATOM 963 O LEU A 62 -7.005 1.524 2.804 1.00 0.00 O ATOM 964 CB LEU A 62 -9.085 3.026 1.409 1.00 0.00 C ATOM 965 CG LEU A 62 -9.630 1.581 1.214 1.00 0.00 C ATOM 966 CD1 LEU A 62 -10.149 0.850 2.469 1.00 0.00 C ATOM 967 CD2 LEU A 62 -10.792 1.691 0.243 1.00 0.00 C ATOM 0 H LEU A 62 -6.816 4.442 2.176 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.347 3.544 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.898 3.719 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.314 3.194 0.657 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.781 0.986 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.499 -0.145 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.343 0.762 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.972 1.416 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.215 0.702 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.557 2.344 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.439 2.106 -0.701 1.00 0.00 H new ATOM 979 N LYS A 63 -7.708 2.338 4.759 1.00 0.00 N ATOM 980 CA LYS A 63 -7.027 1.332 5.605 1.00 0.00 C ATOM 981 C LYS A 63 -7.493 -0.094 5.279 1.00 0.00 C ATOM 982 O LYS A 63 -8.687 -0.424 5.303 1.00 0.00 O ATOM 983 CB LYS A 63 -7.127 1.658 7.119 1.00 0.00 C ATOM 984 CG LYS A 63 -8.509 1.523 7.798 1.00 0.00 C ATOM 985 CD LYS A 63 -8.418 1.352 9.322 1.00 0.00 C ATOM 986 CE LYS A 63 -7.784 0.001 9.696 1.00 0.00 C ATOM 987 NZ LYS A 63 -8.043 -0.374 11.108 1.00 0.00 N ATOM 0 H LYS A 63 -8.232 3.032 5.292 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.966 1.382 5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.430 1.008 7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.782 2.682 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.106 2.407 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.034 0.667 7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.827 2.163 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.415 1.422 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.176 -0.775 9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.708 0.048 9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.596 -1.291 11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.646 0.352 11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.068 -0.446 11.265 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.544 -0.995 5.062 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.814 -2.420 5.044 1.00 0.00 C ATOM 1003 C PHE A 64 -6.768 -2.948 6.482 1.00 0.00 C ATOM 1004 O PHE A 64 -5.943 -2.516 7.283 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.826 -3.131 4.142 1.00 0.00 C ATOM 1006 CG PHE A 64 -5.973 -2.739 2.684 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -5.070 -1.833 2.106 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.081 -3.184 1.942 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.244 -1.401 0.781 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.267 -2.749 0.623 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.340 -1.873 0.035 1.00 0.00 C ATOM 0 H PHE A 64 -5.567 -0.755 4.894 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.807 -2.613 4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.812 -2.907 4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.962 -4.208 4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.235 -1.465 2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.791 -3.863 2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.541 -0.711 0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.123 -3.087 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.468 -1.561 -0.991 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.617 -3.925 6.803 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.585 -4.663 8.075 1.00 0.00 C ATOM 1023 C ALA A 65 -6.509 -5.744 8.146 1.00 0.00 C ATOM 1024 O ALA A 65 -6.541 -6.588 9.041 1.00 0.00 O ATOM 1025 CB ALA A 65 -8.934 -5.344 8.271 1.00 0.00 C ATOM 0 H ALA A 65 -8.361 -4.234 6.178 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.358 -3.930 8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.929 -5.897 9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.721 -4.591 8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.118 -6.032 7.446 1.00 0.00 H new ATOM 1031 N THR A 66 -5.598 -5.826 7.179 1.00 0.00 N ATOM 1032 CA THR A 66 -4.539 -6.813 7.117 1.00 0.00 C ATOM 1033 C THR A 66 -3.579 -6.163 6.189 1.00 0.00 C ATOM 1034 O THR A 66 -3.821 -5.140 5.545 1.00 0.00 O ATOM 1035 CB THR A 66 -4.947 -8.165 6.525 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.333 -8.354 6.684 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.346 -9.365 7.214 1.00 0.00 C ATOM 0 H THR A 66 -5.582 -5.179 6.390 1.00 0.00 H new ATOM 0 HA THR A 66 -4.177 -7.056 8.116 1.00 0.00 H new ATOM 0 HB THR A 66 -4.602 -8.115 5.492 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.591 -9.219 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.692 -10.276 6.726 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.259 -9.312 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.652 -9.375 8.260 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.509 -6.880 6.022 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.590 -6.616 4.958 1.00 0.00 C ATOM 1047 C VAL A 67 -2.009 -7.285 3.648 1.00 0.00 C ATOM 1048 O VAL A 67 -2.122 -6.629 2.622 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.270 -7.226 5.390 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.764 -6.330 4.797 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.128 -7.299 6.843 1.00 0.00 C ATOM 0 H VAL A 67 -2.249 -7.664 6.620 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.542 -5.542 4.778 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.365 -8.268 5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.757 -6.696 5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.656 -6.318 3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.636 -5.320 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.107 -7.771 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.173 -6.293 7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.608 -7.886 7.393 1.00 0.00 H new ATOM 1061 N SER A 68 -2.324 -8.573 3.744 1.00 0.00 N ATOM 1062 CA SER A 68 -2.649 -9.458 2.624 1.00 0.00 C ATOM 1063 C SER A 68 -3.865 -8.956 1.847 1.00 0.00 C ATOM 1064 O SER A 68 -4.031 -9.329 0.695 1.00 0.00 O ATOM 1065 CB SER A 68 -2.880 -10.865 3.214 1.00 0.00 C ATOM 1066 OG SER A 68 -2.025 -11.109 4.343 1.00 0.00 O ATOM 0 H SER A 68 -2.362 -9.052 4.644 1.00 0.00 H new ATOM 0 HA SER A 68 -1.832 -9.482 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.922 -10.967 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.695 -11.617 2.447 1.00 0.00 H new ATOM 0 HG SER A 68 -2.196 -12.007 4.695 1.00 0.00 H new ATOM 1072 N LYS A 69 -4.684 -8.081 2.448 1.00 0.00 N ATOM 1073 CA LYS A 69 -5.805 -7.457 1.787 1.00 0.00 C ATOM 1074 C LYS A 69 -5.392 -6.648 0.594 1.00 0.00 C ATOM 1075 O LYS A 69 -5.953 -6.767 -0.484 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.519 -6.526 2.742 1.00 0.00 C ATOM 1077 CG LYS A 69 -6.835 -7.089 4.106 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.299 -6.950 4.459 1.00 0.00 C ATOM 1079 CE LYS A 69 -8.942 -8.209 3.838 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.437 -8.235 3.799 1.00 0.00 N ATOM 0 H LYS A 69 -4.572 -7.793 3.420 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.456 -8.267 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.907 -5.633 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.452 -6.208 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.555 -8.142 4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.232 -6.577 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.450 -6.913 5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.726 -6.036 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.571 -8.316 2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.598 -9.080 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.758 -9.123 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.811 -8.170 4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.784 -7.430 3.239 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.422 -5.764 0.785 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.897 -4.930 -0.298 1.00 0.00 C ATOM 1096 C ALA A 70 -3.573 -5.726 -1.594 1.00 0.00 C ATOM 1097 O ALA A 70 -3.904 -5.291 -2.688 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.688 -4.199 0.293 1.00 0.00 C ATOM 0 H ALA A 70 -3.976 -5.602 1.688 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.649 -4.219 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.245 -3.555 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.008 -3.593 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.949 -4.928 0.626 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.135 -6.993 -1.480 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.790 -7.927 -2.579 1.00 0.00 C ATOM 1106 C ARG A 71 -3.977 -8.307 -3.458 1.00 0.00 C ATOM 1107 O ARG A 71 -3.819 -8.546 -4.651 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.183 -9.228 -2.042 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.051 -9.739 -2.987 1.00 0.00 C ATOM 1110 CD ARG A 71 0.186 -10.285 -2.230 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.116 -11.497 -1.456 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.804 -12.240 -0.873 1.00 0.00 C ATOM 1113 NH1 ARG A 71 2.087 -12.168 -1.141 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.439 -13.164 -0.022 1.00 0.00 N ATOM 0 H ARG A 71 -3.003 -7.423 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.068 -7.378 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.782 -9.063 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.959 -9.988 -1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.451 -10.525 -3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.737 -8.924 -3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.978 -10.503 -2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.566 -9.515 -1.559 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.092 -11.779 -1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.426 -11.506 -1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.745 -12.774 -0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.550 -13.305 0.185 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.143 -13.744 0.434 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.158 -8.463 -2.860 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.400 -8.750 -3.588 1.00 0.00 C ATOM 1130 C ALA A 72 -7.059 -7.451 -4.138 1.00 0.00 C ATOM 1131 O ALA A 72 -7.706 -7.511 -5.186 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.315 -9.457 -2.563 1.00 0.00 C ATOM 0 H ALA A 72 -5.284 -8.394 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.216 -9.372 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.266 -9.704 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.834 -10.371 -2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.491 -8.795 -1.715 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.769 -6.316 -3.488 1.00 0.00 N ATOM 1139 CA TYR A 73 -7.261 -5.016 -3.910 1.00 0.00 C ATOM 1140 C TYR A 73 -6.515 -4.581 -5.159 1.00 0.00 C ATOM 1141 O TYR A 73 -7.069 -3.948 -6.037 1.00 0.00 O ATOM 1142 CB TYR A 73 -7.118 -4.038 -2.757 1.00 0.00 C ATOM 1143 CG TYR A 73 -7.178 -2.619 -3.239 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -6.023 -2.081 -3.810 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -8.374 -1.882 -3.311 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -6.047 -0.911 -4.550 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -8.405 -0.644 -4.006 1.00 0.00 C ATOM 1148 CZ TYR A 73 -7.236 -0.164 -4.660 1.00 0.00 C ATOM 1149 OH TYR A 73 -7.248 0.966 -5.425 1.00 0.00 O ATOM 0 H TYR A 73 -6.184 -6.283 -2.653 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.319 -5.057 -4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.911 -4.211 -2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.171 -4.211 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.082 -2.593 -3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.269 -2.258 -2.838 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.150 -0.570 -5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.317 -0.066 -4.038 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.049 0.971 -5.989 1.00 0.00 H new ATOM 1159 N LEU A 74 -5.214 -4.854 -5.225 1.00 0.00 N ATOM 1160 CA LEU A 74 -4.354 -4.620 -6.366 1.00 0.00 C ATOM 1161 C LEU A 74 -4.922 -5.090 -7.707 1.00 0.00 C ATOM 1162 O LEU A 74 -4.856 -4.396 -8.717 1.00 0.00 O ATOM 1163 CB LEU A 74 -3.112 -5.432 -5.997 1.00 0.00 C ATOM 1164 CG LEU A 74 -2.078 -4.720 -5.103 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -0.935 -4.441 -6.028 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -2.359 -3.314 -4.588 1.00 0.00 C ATOM 0 H LEU A 74 -4.712 -5.266 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.191 -3.555 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.435 -6.342 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.616 -5.738 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.986 -5.373 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.141 -3.932 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.554 -5.380 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.276 -3.808 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.522 -2.976 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.489 -2.637 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.268 -3.322 -3.986 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.563 -6.240 -7.688 1.00 0.00 N ATOM 1179 CA GLU A 75 -6.227 -6.837 -8.850 1.00 0.00 C ATOM 1180 C GLU A 75 -7.709 -6.416 -8.950 1.00 0.00 C ATOM 1181 O GLU A 75 -8.396 -6.802 -9.902 1.00 0.00 O ATOM 1182 CB GLU A 75 -5.952 -8.352 -8.901 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.806 -9.087 -7.551 1.00 0.00 C ATOM 1184 CD GLU A 75 -5.126 -10.453 -7.680 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -5.141 -11.214 -6.698 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -4.567 -10.774 -8.756 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.644 -6.809 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.794 -6.437 -9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.762 -8.824 -9.457 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.038 -8.511 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.230 -8.465 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.793 -9.220 -7.108 1.00 0.00 H new ATOM 1193 N THR A 76 -8.159 -5.551 -8.023 1.00 0.00 N ATOM 1194 CA THR A 76 -9.559 -5.151 -7.795 1.00 0.00 C ATOM 1195 C THR A 76 -9.733 -3.638 -7.449 1.00 0.00 C ATOM 1196 O THR A 76 -9.993 -3.263 -6.295 1.00 0.00 O ATOM 1197 CB THR A 76 -10.183 -6.015 -6.683 1.00 0.00 C ATOM 1198 OG1 THR A 76 -9.881 -7.381 -6.860 1.00 0.00 O ATOM 1199 CG2 THR A 76 -11.700 -5.904 -6.734 1.00 0.00 C ATOM 0 H THR A 76 -7.520 -5.087 -7.377 1.00 0.00 H new ATOM 0 HA THR A 76 -10.078 -5.314 -8.740 1.00 0.00 H new ATOM 0 HB THR A 76 -9.778 -5.656 -5.737 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.099 -7.616 -6.318 1.00 0.00 H new ATOM 0 HG21 THR A 76 -12.136 -6.517 -5.945 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.994 -4.864 -6.590 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.058 -6.251 -7.703 1.00 0.00 H new ATOM 1207 N LYS A 77 -9.687 -2.804 -8.495 1.00 0.00 N ATOM 1208 CA LYS A 77 -10.272 -1.459 -8.597 1.00 0.00 C ATOM 1209 C LYS A 77 -9.506 -0.332 -7.872 1.00 0.00 C ATOM 1210 O LYS A 77 -10.068 0.369 -6.996 1.00 0.00 O ATOM 1211 CB LYS A 77 -11.794 -1.476 -8.296 1.00 0.00 C ATOM 1212 CG LYS A 77 -12.682 -1.559 -9.547 1.00 0.00 C ATOM 1213 CD LYS A 77 -12.688 -2.946 -10.211 1.00 0.00 C ATOM 1214 CE LYS A 77 -13.477 -2.953 -11.536 1.00 0.00 C ATOM 1215 NZ LYS A 77 -14.931 -2.668 -11.369 1.00 0.00 N ATOM 1216 OXT LYS A 77 -8.452 0.078 -8.396 1.00 0.00 O1- ATOM 0 H LYS A 77 -9.206 -3.069 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.148 -1.180 -9.643 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.016 -2.325 -7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.053 -0.575 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.703 -1.292 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.342 -0.820 -10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.662 -3.261 -10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.124 -3.673 -9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.046 -2.212 -12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.359 -3.926 -12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.398 -2.689 -12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.357 -3.388 -10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.054 -1.728 -10.941 1.00 0.00 H new TER 1230 LYS A 77