USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 455 hydrogens (2 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 14 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0379) USER MOD Single : A 1 VAL N :NH3+ -122:sc= -0.09 (180deg=-0.496) USER MOD Single : A 5 TYR OH : rot 122:sc= 1.19 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -1.05 K(o=-1,f=-5.7!) USER MOD Single : A 15 HIS : no HD1:sc= -0.0205 X(o=-0.021,f=-0.003) USER MOD Single : A 20 SER OG : rot -40:sc= 1.22 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0609 USER MOD Single : A 25 THR OG1 : rot 52:sc= 1.25 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 34 SER OG : rot 5:sc= 1.16 USER MOD Single : A 36 HIS : no HE2:sc= 0.473 K(o=0.47,f=-2.1!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-1.9) USER MOD Single : A 50 ASN : amide:sc= 0.868 K(o=0.87,f=-3.7!) USER MOD Single : A 55 ASN : amide:sc= 0.27 K(o=0.27,f=-3.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.311 K(o=-0.31,f=-1.1) USER MOD Single : A 67 SER OG : rot 8:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.282 11.937 6.001 1.00 0.00 N ATOM 2 CA VAL A 1 6.097 10.683 5.228 1.00 0.00 C ATOM 3 C VAL A 1 5.084 9.804 5.912 1.00 0.00 C ATOM 4 O VAL A 1 4.681 10.060 7.049 1.00 0.00 O ATOM 5 CB VAL A 1 7.423 9.936 5.018 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.394 10.838 4.223 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.051 9.442 6.343 1.00 0.00 C ATOM 0 H1 VAL A 1 6.065 12.754 5.395 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.643 11.936 6.822 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.267 12.001 6.329 1.00 0.00 H new ATOM 0 HA VAL A 1 5.725 10.949 4.238 1.00 0.00 H new ATOM 0 HB VAL A 1 7.217 9.033 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.337 10.313 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.955 11.082 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.576 11.757 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.985 8.922 6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.250 10.295 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.361 8.760 6.841 1.00 0.00 H new ATOM 19 N ARG A 2 4.649 8.728 5.219 1.00 0.00 N ATOM 20 CA ARG A 2 3.823 7.707 5.809 1.00 0.00 C ATOM 21 C ARG A 2 4.703 6.510 6.011 1.00 0.00 C ATOM 22 O ARG A 2 5.698 6.320 5.310 1.00 0.00 O ATOM 23 CB ARG A 2 2.649 7.201 4.931 1.00 0.00 C ATOM 24 CG ARG A 2 1.599 8.250 4.524 1.00 0.00 C ATOM 25 CD ARG A 2 1.918 8.997 3.219 1.00 0.00 C ATOM 26 NE ARG A 2 0.634 9.509 2.622 1.00 0.00 N ATOM 27 CZ ARG A 2 0.002 10.646 3.044 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.529 11.428 4.029 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.179 11.004 2.456 1.00 0.00 N ATOM 0 H ARG A 2 4.873 8.564 4.237 1.00 0.00 H new ATOM 0 HA ARG A 2 3.392 8.150 6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.065 6.763 4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.141 6.400 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.633 7.757 4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.499 8.978 5.329 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.598 9.825 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.421 8.331 2.517 1.00 0.00 H new ATOM 0 HE ARG A 2 0.212 8.978 1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.413 11.169 4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.039 12.272 4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.575 10.426 1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.664 11.849 2.758 1.00 0.00 H new ATOM 43 N ASP A 3 4.299 5.621 6.938 1.00 0.00 N ATOM 44 CA ASP A 3 4.707 4.248 6.936 1.00 0.00 C ATOM 45 C ASP A 3 3.322 3.718 6.983 1.00 0.00 C ATOM 46 O ASP A 3 2.539 4.204 7.801 1.00 0.00 O ATOM 47 CB ASP A 3 5.482 3.775 8.189 1.00 0.00 C ATOM 48 CG ASP A 3 6.789 4.558 8.314 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.639 4.442 7.394 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.955 5.278 9.335 1.00 0.00 O ATOM 0 H ASP A 3 3.674 5.862 7.707 1.00 0.00 H new ATOM 0 HA ASP A 3 5.390 3.967 6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.873 3.921 9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.692 2.708 8.117 1.00 0.00 H new ATOM 55 N GLY A 4 2.932 2.836 6.045 1.00 0.00 N ATOM 56 CA GLY A 4 1.547 2.476 5.997 1.00 0.00 C ATOM 57 C GLY A 4 1.439 1.219 5.232 1.00 0.00 C ATOM 58 O GLY A 4 2.419 0.723 4.675 1.00 0.00 O ATOM 0 H GLY A 4 3.537 2.392 5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.150 2.347 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.963 3.264 5.523 1.00 0.00 H new ATOM 62 N TYR A 5 0.195 0.717 5.120 1.00 0.00 N ATOM 63 CA TYR A 5 -0.149 -0.328 4.196 1.00 0.00 C ATOM 64 C TYR A 5 -0.371 0.382 2.894 1.00 0.00 C ATOM 65 O TYR A 5 -1.084 1.379 2.887 1.00 0.00 O ATOM 66 CB TYR A 5 -1.478 -1.015 4.550 1.00 0.00 C ATOM 67 CG TYR A 5 -1.317 -1.992 5.661 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.513 -1.630 7.005 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.075 -3.331 5.336 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.536 -2.612 8.004 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.131 -4.308 6.326 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.391 -3.961 7.656 1.00 0.00 C ATOM 73 OH TYR A 5 -1.626 -4.973 8.609 1.00 0.00 O ATOM 0 H TYR A 5 -0.591 1.042 5.683 1.00 0.00 H new ATOM 0 HA TYR A 5 0.631 -1.089 4.191 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.213 -0.261 4.833 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.868 -1.526 3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.646 -0.591 7.268 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.845 -3.607 4.317 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.665 -2.330 9.038 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.972 -5.344 6.065 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.325 -5.576 8.280 1.00 0.00 H new ATOM 83 N ILE A 6 0.249 -0.069 1.780 1.00 0.00 N ATOM 84 CA ILE A 6 0.086 0.569 0.495 1.00 0.00 C ATOM 85 C ILE A 6 -1.077 -0.116 -0.181 1.00 0.00 C ATOM 86 O ILE A 6 -1.302 -1.330 -0.042 1.00 0.00 O ATOM 87 CB ILE A 6 1.362 0.671 -0.359 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.208 1.626 -1.572 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.837 -0.723 -0.776 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.469 1.822 -2.419 1.00 0.00 C ATOM 0 H ILE A 6 0.867 -0.880 1.767 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.133 1.627 0.639 1.00 0.00 H new ATOM 0 HB ILE A 6 2.134 1.122 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.415 1.244 -2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.881 2.600 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.740 -0.634 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.052 -1.315 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.058 -1.214 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.253 2.506 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.263 2.238 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.789 0.861 -2.822 1.00 0.00 H new ATOM 102 N ALA A 7 -1.836 0.709 -0.923 1.00 0.00 N ATOM 103 CA ALA A 7 -3.019 0.393 -1.637 1.00 0.00 C ATOM 104 C ALA A 7 -2.827 1.290 -2.798 1.00 0.00 C ATOM 105 O ALA A 7 -1.842 2.025 -2.829 1.00 0.00 O ATOM 106 CB ALA A 7 -4.302 0.836 -0.920 1.00 0.00 C ATOM 0 H ALA A 7 -1.589 1.693 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.142 -0.675 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.168 0.563 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.365 0.344 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.285 1.917 -0.778 1.00 0.00 H new ATOM 112 N GLN A 8 -3.777 1.268 -3.750 1.00 0.00 N ATOM 113 CA GLN A 8 -3.747 2.094 -4.925 1.00 0.00 C ATOM 114 C GLN A 8 -4.233 3.466 -4.509 1.00 0.00 C ATOM 115 O GLN A 8 -4.937 3.522 -3.500 1.00 0.00 O ATOM 116 CB GLN A 8 -4.668 1.495 -6.012 1.00 0.00 C ATOM 117 CG GLN A 8 -4.166 0.114 -6.468 1.00 0.00 C ATOM 118 CD GLN A 8 -5.228 -0.584 -7.315 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.204 -0.520 -8.548 1.00 0.00 O ATOM 120 NE2 GLN A 8 -6.174 -1.282 -6.620 1.00 0.00 N ATOM 0 H GLN A 8 -4.593 0.658 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.742 2.154 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.683 1.406 -5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.712 2.169 -6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.247 0.226 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.925 -0.498 -5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.147 -1.302 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.908 -1.784 -7.120 1.00 0.00 H new ATOM 129 N PRO A 9 -3.919 4.584 -5.176 1.00 0.00 N ATOM 130 CA PRO A 9 -3.856 5.878 -4.503 1.00 0.00 C ATOM 131 C PRO A 9 -5.157 6.445 -4.005 1.00 0.00 C ATOM 132 O PRO A 9 -5.126 7.360 -3.185 1.00 0.00 O ATOM 133 CB PRO A 9 -3.282 6.824 -5.560 1.00 0.00 C ATOM 134 CG PRO A 9 -2.328 5.930 -6.350 1.00 0.00 C ATOM 135 CD PRO A 9 -3.075 4.593 -6.382 1.00 0.00 C ATOM 0 HA PRO A 9 -3.266 5.758 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.064 7.239 -6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.761 7.666 -5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.146 6.317 -7.353 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.358 5.841 -5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.680 4.503 -7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.379 3.754 -6.380 1.00 0.00 H new ATOM 143 N GLU A 10 -6.301 5.964 -4.519 1.00 0.00 N ATOM 144 CA GLU A 10 -7.591 6.485 -4.144 1.00 0.00 C ATOM 145 C GLU A 10 -8.215 5.540 -3.149 1.00 0.00 C ATOM 146 O GLU A 10 -9.362 5.717 -2.744 1.00 0.00 O ATOM 147 CB GLU A 10 -8.491 6.661 -5.381 1.00 0.00 C ATOM 148 CG GLU A 10 -7.910 7.681 -6.379 1.00 0.00 C ATOM 149 CD GLU A 10 -8.914 7.959 -7.495 1.00 0.00 C ATOM 150 OE1 GLU A 10 -10.018 8.482 -7.181 1.00 0.00 O ATOM 151 OE2 GLU A 10 -8.600 7.642 -8.674 1.00 0.00 O ATOM 0 H GLU A 10 -6.339 5.207 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.475 7.469 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.616 5.699 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.482 6.988 -5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.665 8.608 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.982 7.298 -6.803 1.00 0.00 H new ATOM 158 N ASN A 11 -7.416 4.541 -2.720 1.00 0.00 N ATOM 159 CA ASN A 11 -7.688 3.528 -1.734 1.00 0.00 C ATOM 160 C ASN A 11 -8.368 2.391 -2.444 1.00 0.00 C ATOM 161 O ASN A 11 -9.354 2.580 -3.150 1.00 0.00 O ATOM 162 CB ASN A 11 -8.416 3.966 -0.421 1.00 0.00 C ATOM 163 CG ASN A 11 -8.205 2.961 0.723 1.00 0.00 C ATOM 164 OD1 ASN A 11 -7.627 1.884 0.531 1.00 0.00 O ATOM 165 ND2 ASN A 11 -8.650 3.317 1.966 1.00 0.00 N ATOM 0 H ASN A 11 -6.478 4.432 -3.106 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.727 3.228 -1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.050 4.946 -0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.483 4.072 -0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.508 2.690 2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.124 4.210 2.102 1.00 0.00 H new ATOM 172 N CYS A 12 -7.800 1.188 -2.267 1.00 0.00 N ATOM 173 CA CYS A 12 -8.270 -0.114 -2.671 1.00 0.00 C ATOM 174 C CYS A 12 -6.968 -0.838 -2.699 1.00 0.00 C ATOM 175 O CYS A 12 -6.026 -0.348 -3.329 1.00 0.00 O ATOM 176 CB CYS A 12 -8.974 -0.292 -4.050 1.00 0.00 C ATOM 177 SG CYS A 12 -10.629 -1.037 -3.885 1.00 0.00 S ATOM 0 H CYS A 12 -6.905 1.114 -1.784 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.070 -0.438 -2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.061 0.678 -4.540 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.357 -0.920 -4.693 1.00 0.00 H new ATOM 182 N VAL A 13 -6.864 -1.985 -1.988 1.00 0.00 N ATOM 183 CA VAL A 13 -5.590 -2.561 -1.636 1.00 0.00 C ATOM 184 C VAL A 13 -4.796 -2.977 -2.830 1.00 0.00 C ATOM 185 O VAL A 13 -5.308 -3.233 -3.920 1.00 0.00 O ATOM 186 CB VAL A 13 -5.646 -3.712 -0.639 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.000 -3.130 0.741 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.613 -4.823 -1.102 1.00 0.00 C ATOM 0 H VAL A 13 -7.668 -2.517 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.086 -1.738 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.675 -4.202 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.047 -3.935 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.237 -2.411 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.968 -2.631 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.625 -5.626 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.617 -4.411 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.281 -5.218 -2.062 1.00 0.00 H new ATOM 198 N TYR A 14 -3.473 -3.042 -2.615 1.00 0.00 N ATOM 199 CA TYR A 14 -2.539 -3.482 -3.590 1.00 0.00 C ATOM 200 C TYR A 14 -2.358 -4.860 -3.070 1.00 0.00 C ATOM 201 O TYR A 14 -2.033 -5.012 -1.897 1.00 0.00 O ATOM 202 CB TYR A 14 -1.207 -2.693 -3.507 1.00 0.00 C ATOM 203 CG TYR A 14 -0.937 -1.917 -4.768 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.181 -2.452 -6.048 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.441 -0.609 -4.670 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.016 -1.663 -7.192 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.242 0.174 -5.810 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.550 -0.347 -7.072 1.00 0.00 C ATOM 209 OH TYR A 14 -0.408 0.470 -8.211 1.00 0.00 O ATOM 0 H TYR A 14 -3.042 -2.778 -1.729 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.847 -3.377 -4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.242 -2.008 -2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.385 -3.385 -3.323 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.498 -3.480 -6.147 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.209 -0.200 -3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.248 -2.068 -8.166 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.148 1.177 -5.718 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.549 1.407 -7.961 1.00 0.00 H new ATOM 219 N HIS A 15 -2.646 -5.892 -3.884 1.00 0.00 N ATOM 220 CA HIS A 15 -2.779 -7.225 -3.367 1.00 0.00 C ATOM 221 C HIS A 15 -1.402 -7.764 -3.213 1.00 0.00 C ATOM 222 O HIS A 15 -0.588 -7.722 -4.133 1.00 0.00 O ATOM 223 CB HIS A 15 -3.626 -8.178 -4.238 1.00 0.00 C ATOM 224 CG HIS A 15 -5.100 -7.881 -4.135 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.680 -6.743 -4.632 1.00 0.00 N ATOM 226 CD2 HIS A 15 -6.076 -8.585 -3.515 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.969 -6.763 -4.326 1.00 0.00 C ATOM 228 NE2 HIS A 15 -7.237 -7.871 -3.649 1.00 0.00 N ATOM 0 H HIS A 15 -2.786 -5.808 -4.891 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.320 -7.166 -2.423 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.311 -8.093 -5.278 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.442 -9.208 -3.932 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.961 -9.532 -3.009 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.687 -5.999 -4.586 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.151 -8.145 -3.289 1.00 0.00 H new ATOM 237 N CYS A 16 -1.112 -8.232 -1.991 1.00 0.00 N ATOM 238 CA CYS A 16 0.182 -8.728 -1.632 1.00 0.00 C ATOM 239 C CYS A 16 0.109 -10.207 -1.852 1.00 0.00 C ATOM 240 O CYS A 16 -0.955 -10.745 -2.158 1.00 0.00 O ATOM 241 CB CYS A 16 0.513 -8.373 -0.163 1.00 0.00 C ATOM 242 SG CYS A 16 2.265 -8.519 0.266 1.00 0.00 S ATOM 0 H CYS A 16 -1.791 -8.268 -1.231 1.00 0.00 H new ATOM 0 HA CYS A 16 0.979 -8.283 -2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.188 -7.351 0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.065 -9.023 0.494 1.00 0.00 H new ATOM 247 N PHE A 17 1.239 -10.911 -1.705 1.00 0.00 N ATOM 248 CA PHE A 17 1.354 -12.307 -1.920 1.00 0.00 C ATOM 249 C PHE A 17 2.378 -12.578 -0.866 1.00 0.00 C ATOM 250 O PHE A 17 3.097 -11.625 -0.552 1.00 0.00 O ATOM 251 CB PHE A 17 2.004 -12.630 -3.287 1.00 0.00 C ATOM 252 CG PHE A 17 1.166 -12.082 -4.409 1.00 0.00 C ATOM 253 CD1 PHE A 17 -0.085 -12.650 -4.692 1.00 0.00 C ATOM 254 CD2 PHE A 17 1.583 -10.953 -5.142 1.00 0.00 C ATOM 255 CE1 PHE A 17 -0.915 -12.099 -5.675 1.00 0.00 C ATOM 256 CE2 PHE A 17 0.751 -10.396 -6.121 1.00 0.00 C ATOM 257 CZ PHE A 17 -0.498 -10.970 -6.389 1.00 0.00 C ATOM 0 H PHE A 17 2.118 -10.479 -1.421 1.00 0.00 H new ATOM 0 HA PHE A 17 0.412 -12.854 -1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.006 -12.202 -3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.113 -13.709 -3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.411 -13.522 -4.145 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.551 -10.514 -4.947 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.877 -12.545 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.073 -9.523 -6.670 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.139 -10.542 -7.146 1.00 0.00 H new ATOM 267 N PRO A 18 2.546 -13.771 -0.313 1.00 0.00 N ATOM 268 CA PRO A 18 3.609 -14.044 0.648 1.00 0.00 C ATOM 269 C PRO A 18 4.971 -14.030 -0.006 1.00 0.00 C ATOM 270 O PRO A 18 5.980 -13.988 0.693 1.00 0.00 O ATOM 271 CB PRO A 18 3.278 -15.449 1.175 1.00 0.00 C ATOM 272 CG PRO A 18 1.751 -15.521 1.080 1.00 0.00 C ATOM 273 CD PRO A 18 1.459 -14.748 -0.209 1.00 0.00 C ATOM 0 HA PRO A 18 3.654 -13.290 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.754 -16.224 0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.622 -15.584 2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.397 -16.550 1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.269 -15.064 1.944 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.440 -15.412 -1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.488 -14.256 -0.164 1.00 0.00 H new ATOM 281 N GLY A 19 5.014 -14.089 -1.350 1.00 0.00 N ATOM 282 CA GLY A 19 6.208 -13.873 -2.121 1.00 0.00 C ATOM 283 C GLY A 19 5.871 -12.609 -2.825 1.00 0.00 C ATOM 284 O GLY A 19 5.387 -12.626 -3.953 1.00 0.00 O ATOM 0 H GLY A 19 4.194 -14.293 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.092 -13.770 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.404 -14.691 -2.814 1.00 0.00 H new ATOM 288 N SER A 20 6.052 -11.471 -2.128 1.00 0.00 N ATOM 289 CA SER A 20 5.453 -10.197 -2.431 1.00 0.00 C ATOM 290 C SER A 20 6.191 -9.437 -3.498 1.00 0.00 C ATOM 291 O SER A 20 6.174 -8.205 -3.518 1.00 0.00 O ATOM 292 CB SER A 20 5.458 -9.346 -1.140 1.00 0.00 C ATOM 293 OG SER A 20 5.214 -10.189 -0.011 1.00 0.00 O ATOM 0 H SER A 20 6.651 -11.434 -1.303 1.00 0.00 H new ATOM 0 HA SER A 20 4.446 -10.386 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.417 -8.840 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.694 -8.571 -1.200 1.00 0.00 H new ATOM 0 HG SER A 20 4.528 -10.850 -0.239 1.00 0.00 H new ATOM 299 N SER A 21 6.851 -10.170 -4.413 1.00 0.00 N ATOM 300 CA SER A 21 7.902 -9.721 -5.281 1.00 0.00 C ATOM 301 C SER A 21 7.518 -8.551 -6.140 1.00 0.00 C ATOM 302 O SER A 21 8.201 -7.531 -6.163 1.00 0.00 O ATOM 303 CB SER A 21 8.373 -10.897 -6.167 1.00 0.00 C ATOM 304 OG SER A 21 8.365 -12.098 -5.395 1.00 0.00 O ATOM 0 H SER A 21 6.633 -11.156 -4.558 1.00 0.00 H new ATOM 0 HA SER A 21 8.712 -9.372 -4.640 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.718 -11.002 -7.032 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.375 -10.702 -6.548 1.00 0.00 H new ATOM 0 HG SER A 21 8.661 -12.847 -5.953 1.00 0.00 H new ATOM 310 N GLY A 22 6.369 -8.666 -6.843 1.00 0.00 N ATOM 311 CA GLY A 22 5.908 -7.649 -7.762 1.00 0.00 C ATOM 312 C GLY A 22 5.485 -6.406 -7.035 1.00 0.00 C ATOM 313 O GLY A 22 5.635 -5.292 -7.542 1.00 0.00 O ATOM 0 H GLY A 22 5.749 -9.473 -6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.703 -7.407 -8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.071 -8.035 -8.344 1.00 0.00 H new ATOM 317 N CYS A 23 4.958 -6.573 -5.801 1.00 0.00 N ATOM 318 CA CYS A 23 4.402 -5.475 -5.047 1.00 0.00 C ATOM 319 C CYS A 23 5.532 -4.693 -4.445 1.00 0.00 C ATOM 320 O CYS A 23 5.463 -3.471 -4.314 1.00 0.00 O ATOM 321 CB CYS A 23 3.423 -5.928 -3.939 1.00 0.00 C ATOM 322 SG CYS A 23 2.207 -4.631 -3.547 1.00 0.00 S ATOM 0 H CYS A 23 4.916 -7.472 -5.321 1.00 0.00 H new ATOM 0 HA CYS A 23 3.819 -4.861 -5.734 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.903 -6.831 -4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.984 -6.185 -3.040 1.00 0.00 H new ATOM 327 N ASP A 24 6.641 -5.386 -4.110 1.00 0.00 N ATOM 328 CA ASP A 24 7.858 -4.770 -3.633 1.00 0.00 C ATOM 329 C ASP A 24 8.436 -3.851 -4.691 1.00 0.00 C ATOM 330 O ASP A 24 8.841 -2.731 -4.387 1.00 0.00 O ATOM 331 CB ASP A 24 8.915 -5.818 -3.194 1.00 0.00 C ATOM 332 CG ASP A 24 10.026 -5.161 -2.372 1.00 0.00 C ATOM 333 OD1 ASP A 24 9.699 -4.565 -1.310 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.209 -5.247 -2.792 1.00 0.00 O ATOM 0 H ASP A 24 6.698 -6.403 -4.171 1.00 0.00 H new ATOM 0 HA ASP A 24 7.598 -4.184 -2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.435 -6.600 -2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.343 -6.299 -4.073 1.00 0.00 H new ATOM 339 N THR A 25 8.433 -4.266 -5.978 1.00 0.00 N ATOM 340 CA THR A 25 8.862 -3.393 -7.052 1.00 0.00 C ATOM 341 C THR A 25 7.961 -2.183 -7.201 1.00 0.00 C ATOM 342 O THR A 25 8.448 -1.092 -7.494 1.00 0.00 O ATOM 343 CB THR A 25 9.003 -4.108 -8.384 1.00 0.00 C ATOM 344 OG1 THR A 25 8.121 -5.223 -8.480 1.00 0.00 O ATOM 345 CG2 THR A 25 10.444 -4.648 -8.478 1.00 0.00 C ATOM 0 H THR A 25 8.138 -5.195 -6.279 1.00 0.00 H new ATOM 0 HA THR A 25 9.855 -3.050 -6.760 1.00 0.00 H new ATOM 0 HB THR A 25 8.766 -3.403 -9.181 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.208 -4.937 -8.267 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.576 -5.168 -9.427 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.148 -3.818 -8.418 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.628 -5.340 -7.656 1.00 0.00 H new ATOM 353 N LEU A 26 6.634 -2.338 -6.966 1.00 0.00 N ATOM 354 CA LEU A 26 5.697 -1.231 -7.015 1.00 0.00 C ATOM 355 C LEU A 26 5.976 -0.281 -5.882 1.00 0.00 C ATOM 356 O LEU A 26 5.965 0.938 -6.038 1.00 0.00 O ATOM 357 CB LEU A 26 4.215 -1.652 -6.880 1.00 0.00 C ATOM 358 CG LEU A 26 3.673 -2.490 -8.057 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.280 -3.044 -7.709 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.644 -1.698 -9.382 1.00 0.00 C ATOM 0 H LEU A 26 6.204 -3.235 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 26 5.840 -0.778 -7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.096 -2.224 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.604 -0.755 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 26 4.358 -3.323 -8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.904 -3.634 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.350 -3.674 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.598 -2.217 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.255 -2.334 -10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.003 -0.824 -9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.654 -1.377 -9.636 1.00 0.00 H new ATOM 372 N CYS A 27 6.255 -0.846 -4.690 1.00 0.00 N ATOM 373 CA CYS A 27 6.602 -0.120 -3.488 1.00 0.00 C ATOM 374 C CYS A 27 7.785 0.777 -3.747 1.00 0.00 C ATOM 375 O CYS A 27 7.738 1.969 -3.442 1.00 0.00 O ATOM 376 CB CYS A 27 6.903 -1.079 -2.304 1.00 0.00 C ATOM 377 SG CYS A 27 7.062 -0.275 -0.685 1.00 0.00 S ATOM 0 H CYS A 27 6.240 -1.856 -4.551 1.00 0.00 H new ATOM 0 HA CYS A 27 5.743 0.490 -3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.107 -1.822 -2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.827 -1.617 -2.518 1.00 0.00 H new ATOM 382 N LYS A 28 8.848 0.233 -4.386 1.00 0.00 N ATOM 383 CA LYS A 28 10.041 0.987 -4.706 1.00 0.00 C ATOM 384 C LYS A 28 9.732 2.173 -5.586 1.00 0.00 C ATOM 385 O LYS A 28 10.120 3.293 -5.259 1.00 0.00 O ATOM 386 CB LYS A 28 11.147 0.143 -5.392 1.00 0.00 C ATOM 387 CG LYS A 28 11.756 -0.968 -4.512 1.00 0.00 C ATOM 388 CD LYS A 28 12.446 -0.471 -3.228 1.00 0.00 C ATOM 389 CE LYS A 28 13.082 -1.612 -2.421 1.00 0.00 C ATOM 390 NZ LYS A 28 13.694 -1.111 -1.167 1.00 0.00 N ATOM 0 H LYS A 28 8.883 -0.741 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 28 10.420 1.322 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.731 -0.313 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.946 0.811 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.966 -1.667 -4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.481 -1.525 -5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.215 0.256 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.717 0.047 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.324 -2.359 -2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.841 -2.108 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.115 -1.906 -0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.433 -0.416 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.963 -0.659 -0.580 1.00 0.00 H new ATOM 404 N GLU A 29 8.999 1.972 -6.709 1.00 0.00 N ATOM 405 CA GLU A 29 8.755 3.037 -7.665 1.00 0.00 C ATOM 406 C GLU A 29 7.801 4.085 -7.139 1.00 0.00 C ATOM 407 O GLU A 29 7.831 5.226 -7.595 1.00 0.00 O ATOM 408 CB GLU A 29 8.249 2.539 -9.044 1.00 0.00 C ATOM 409 CG GLU A 29 6.950 1.724 -8.987 1.00 0.00 C ATOM 410 CD GLU A 29 6.571 1.199 -10.369 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.390 0.449 -10.964 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.452 1.532 -10.842 1.00 0.00 O ATOM 0 H GLU A 29 8.575 1.078 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 29 9.737 3.487 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.095 3.401 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.026 1.929 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.071 0.888 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.144 2.345 -8.597 1.00 0.00 H new ATOM 419 N LYS A 30 6.947 3.731 -6.149 1.00 0.00 N ATOM 420 CA LYS A 30 6.047 4.667 -5.507 1.00 0.00 C ATOM 421 C LYS A 30 6.764 5.447 -4.438 1.00 0.00 C ATOM 422 O LYS A 30 6.277 6.486 -3.993 1.00 0.00 O ATOM 423 CB LYS A 30 4.822 3.964 -4.876 1.00 0.00 C ATOM 424 CG LYS A 30 3.876 3.378 -5.941 1.00 0.00 C ATOM 425 CD LYS A 30 3.038 4.432 -6.684 1.00 0.00 C ATOM 426 CE LYS A 30 2.483 3.940 -8.028 1.00 0.00 C ATOM 427 NZ LYS A 30 1.685 2.707 -7.860 1.00 0.00 N ATOM 0 H LYS A 30 6.877 2.780 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 30 5.693 5.341 -6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.163 3.166 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.275 4.676 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.466 2.820 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.204 2.666 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.208 4.738 -6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.651 5.317 -6.856 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.864 4.718 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.306 3.752 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.226 2.465 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.308 1.927 -7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.958 2.860 -7.132 1.00 0.00 H new ATOM 441 N GLY A 31 7.962 4.976 -4.034 1.00 0.00 N ATOM 442 CA GLY A 31 8.876 5.735 -3.221 1.00 0.00 C ATOM 443 C GLY A 31 8.962 5.152 -1.852 1.00 0.00 C ATOM 444 O GLY A 31 9.294 5.862 -0.907 1.00 0.00 O ATOM 0 H GLY A 31 8.306 4.047 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.863 5.742 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.545 6.772 -3.161 1.00 0.00 H new ATOM 448 N GLY A 32 8.658 3.844 -1.689 1.00 0.00 N ATOM 449 CA GLY A 32 8.762 3.176 -0.417 1.00 0.00 C ATOM 450 C GLY A 32 10.083 2.486 -0.425 1.00 0.00 C ATOM 451 O GLY A 32 10.374 1.680 -1.308 1.00 0.00 O ATOM 0 H GLY A 32 8.336 3.243 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.699 3.889 0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.949 2.462 -0.283 1.00 0.00 H new ATOM 455 N THR A 33 10.942 2.808 0.563 1.00 0.00 N ATOM 456 CA THR A 33 12.329 2.425 0.555 1.00 0.00 C ATOM 457 C THR A 33 12.512 1.214 1.429 1.00 0.00 C ATOM 458 O THR A 33 13.626 0.762 1.701 1.00 0.00 O ATOM 459 CB THR A 33 13.189 3.584 1.019 1.00 0.00 C ATOM 460 OG1 THR A 33 12.635 4.183 2.188 1.00 0.00 O ATOM 461 CG2 THR A 33 13.202 4.631 -0.117 1.00 0.00 C ATOM 0 H THR A 33 10.670 3.346 1.386 1.00 0.00 H new ATOM 0 HA THR A 33 12.641 2.169 -0.457 1.00 0.00 H new ATOM 0 HB THR A 33 14.193 3.231 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.204 4.928 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.813 5.483 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.618 4.184 -1.019 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.184 4.966 -0.315 1.00 0.00 H new ATOM 469 N SER A 34 11.401 0.615 1.876 1.00 0.00 N ATOM 470 CA SER A 34 11.380 -0.697 2.430 1.00 0.00 C ATOM 471 C SER A 34 9.937 -0.963 2.248 1.00 0.00 C ATOM 472 O SER A 34 9.178 -0.024 1.977 1.00 0.00 O ATOM 473 CB SER A 34 11.776 -0.786 3.913 1.00 0.00 C ATOM 474 OG SER A 34 13.160 -0.486 4.036 1.00 0.00 O ATOM 0 H SER A 34 10.483 1.060 1.851 1.00 0.00 H new ATOM 0 HA SER A 34 12.090 -1.387 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.184 -0.087 4.504 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.570 -1.784 4.299 1.00 0.00 H new ATOM 0 HG SER A 34 13.514 -0.212 3.164 1.00 0.00 H new ATOM 480 N GLY A 35 9.524 -2.232 2.360 1.00 0.00 N ATOM 481 CA GLY A 35 8.191 -2.619 2.071 1.00 0.00 C ATOM 482 C GLY A 35 8.127 -3.866 2.837 1.00 0.00 C ATOM 483 O GLY A 35 9.168 -4.371 3.263 1.00 0.00 O ATOM 0 H GLY A 35 10.127 -2.999 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.460 -1.884 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.022 -2.773 1.005 1.00 0.00 H new ATOM 487 N HIS A 36 6.906 -4.366 3.054 1.00 0.00 N ATOM 488 CA HIS A 36 6.671 -5.542 3.817 1.00 0.00 C ATOM 489 C HIS A 36 5.349 -5.912 3.235 1.00 0.00 C ATOM 490 O HIS A 36 5.000 -5.460 2.140 1.00 0.00 O ATOM 491 CB HIS A 36 6.585 -5.347 5.358 1.00 0.00 C ATOM 492 CG HIS A 36 7.859 -4.824 5.980 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.102 -3.491 6.190 1.00 0.00 N ATOM 494 CD2 HIS A 36 8.961 -5.494 6.392 1.00 0.00 C ATOM 495 CE1 HIS A 36 9.313 -3.360 6.709 1.00 0.00 C ATOM 496 NE2 HIS A 36 9.858 -4.561 6.843 1.00 0.00 N ATOM 0 H HIS A 36 6.055 -3.939 2.687 1.00 0.00 H new ATOM 0 HA HIS A 36 7.477 -6.273 3.751 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.772 -4.656 5.582 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.330 -6.300 5.822 1.00 0.00 H new ATOM 0 HD1 HIS A 36 7.458 -2.728 5.981 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.106 -6.564 6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.781 -2.425 6.980 1.00 0.00 H new ATOM 505 N CYS A 37 4.562 -6.722 3.951 1.00 0.00 N ATOM 506 CA CYS A 37 3.371 -7.318 3.446 1.00 0.00 C ATOM 507 C CYS A 37 2.605 -7.350 4.721 1.00 0.00 C ATOM 508 O CYS A 37 3.206 -7.144 5.782 1.00 0.00 O ATOM 509 CB CYS A 37 3.627 -8.760 2.928 1.00 0.00 C ATOM 510 SG CYS A 37 2.247 -9.522 2.022 1.00 0.00 S ATOM 0 H CYS A 37 4.761 -6.973 4.919 1.00 0.00 H new ATOM 0 HA CYS A 37 2.904 -6.808 2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.501 -8.744 2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.875 -9.395 3.779 1.00 0.00 H new ATOM 515 N GLY A 38 1.285 -7.595 4.654 1.00 0.00 N ATOM 516 CA GLY A 38 0.484 -7.725 5.821 1.00 0.00 C ATOM 517 C GLY A 38 -0.846 -7.988 5.211 1.00 0.00 C ATOM 518 O GLY A 38 -0.926 -8.350 4.036 1.00 0.00 O ATOM 0 H GLY A 38 0.772 -7.703 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.815 -8.542 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.489 -6.821 6.430 1.00 0.00 H new ATOM 522 N PHE A 39 -1.929 -7.799 5.987 1.00 0.00 N ATOM 523 CA PHE A 39 -3.277 -8.044 5.571 1.00 0.00 C ATOM 524 C PHE A 39 -3.965 -6.878 6.212 1.00 0.00 C ATOM 525 O PHE A 39 -3.508 -6.423 7.270 1.00 0.00 O ATOM 526 CB PHE A 39 -3.813 -9.379 6.162 1.00 0.00 C ATOM 527 CG PHE A 39 -5.035 -9.922 5.465 1.00 0.00 C ATOM 528 CD1 PHE A 39 -6.326 -9.498 5.821 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.907 -10.939 4.503 1.00 0.00 C ATOM 530 CE1 PHE A 39 -7.460 -10.080 5.242 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.036 -11.522 3.915 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.316 -11.097 4.291 1.00 0.00 C ATOM 0 H PHE A 39 -1.863 -7.460 6.947 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.412 -8.133 4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.021 -10.127 6.116 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.048 -9.228 7.216 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.445 -8.712 6.552 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.923 -11.276 4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.446 -9.744 5.529 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.920 -12.298 3.173 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.190 -11.552 3.849 1.00 0.00 H new ATOM 542 N LYS A 40 -5.044 -6.375 5.573 1.00 0.00 N ATOM 543 CA LYS A 40 -5.909 -5.356 6.106 1.00 0.00 C ATOM 544 C LYS A 40 -7.264 -5.978 6.072 1.00 0.00 C ATOM 545 O LYS A 40 -7.894 -6.055 5.017 1.00 0.00 O ATOM 546 CB LYS A 40 -5.986 -4.078 5.232 1.00 0.00 C ATOM 547 CG LYS A 40 -4.834 -3.088 5.465 1.00 0.00 C ATOM 548 CD LYS A 40 -5.145 -1.993 6.507 1.00 0.00 C ATOM 549 CE LYS A 40 -5.320 -2.493 7.949 1.00 0.00 C ATOM 550 NZ LYS A 40 -5.527 -1.361 8.885 1.00 0.00 N ATOM 0 H LYS A 40 -5.326 -6.691 4.645 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.543 -5.048 7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.994 -4.369 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.931 -3.572 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.953 -3.642 5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.581 -2.612 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.340 -1.258 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.056 -1.475 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.171 -3.172 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.440 -3.061 8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.642 -1.727 9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.703 -0.727 8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.381 -0.835 8.610 1.00 0.00 H new ATOM 564 N VAL A 41 -7.771 -6.434 7.239 1.00 0.00 N ATOM 565 CA VAL A 41 -9.065 -7.064 7.319 1.00 0.00 C ATOM 566 C VAL A 41 -10.068 -5.950 7.178 1.00 0.00 C ATOM 567 O VAL A 41 -10.057 -4.994 7.948 1.00 0.00 O ATOM 568 CB VAL A 41 -9.322 -7.846 8.602 1.00 0.00 C ATOM 569 CG1 VAL A 41 -10.481 -8.833 8.349 1.00 0.00 C ATOM 570 CG2 VAL A 41 -8.049 -8.604 9.039 1.00 0.00 C ATOM 0 H VAL A 41 -7.283 -6.367 8.132 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.136 -7.817 6.534 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.591 -7.160 9.405 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.679 -9.402 9.257 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.376 -8.279 8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.208 -9.517 7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.251 -9.156 9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.753 -9.300 8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.243 -7.891 9.215 1.00 0.00 H new ATOM 580 N GLY A 42 -10.898 -6.021 6.124 1.00 0.00 N ATOM 581 CA GLY A 42 -11.684 -4.897 5.704 1.00 0.00 C ATOM 582 C GLY A 42 -11.555 -4.897 4.223 1.00 0.00 C ATOM 583 O GLY A 42 -12.510 -4.599 3.512 1.00 0.00 O ATOM 0 H GLY A 42 -11.028 -6.860 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.724 -5.000 6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.313 -3.968 6.136 1.00 0.00 H new ATOM 587 N HIS A 43 -10.355 -5.253 3.711 1.00 0.00 N ATOM 588 CA HIS A 43 -10.137 -5.310 2.288 1.00 0.00 C ATOM 589 C HIS A 43 -9.616 -6.681 1.977 1.00 0.00 C ATOM 590 O HIS A 43 -10.315 -7.486 1.363 1.00 0.00 O ATOM 591 CB HIS A 43 -9.174 -4.209 1.790 1.00 0.00 C ATOM 592 CG HIS A 43 -9.838 -2.855 1.648 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.127 -1.690 1.514 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.145 -2.539 1.470 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.974 -0.704 1.257 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.207 -1.192 1.228 1.00 0.00 N ATOM 0 H HIS A 43 -9.542 -5.499 4.275 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.075 -5.124 1.764 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.338 -4.125 2.484 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.760 -4.506 0.827 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.981 -3.222 1.511 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.704 0.329 1.097 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.057 -0.655 1.055 1.00 0.00 H new ATOM 605 N GLY A 44 -8.383 -7.013 2.399 1.00 0.00 N ATOM 606 CA GLY A 44 -7.814 -8.275 2.043 1.00 0.00 C ATOM 607 C GLY A 44 -6.353 -8.126 2.275 1.00 0.00 C ATOM 608 O GLY A 44 -5.928 -7.338 3.123 1.00 0.00 O ATOM 0 H GLY A 44 -7.789 -6.419 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.229 -9.079 2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.024 -8.522 1.002 1.00 0.00 H new ATOM 612 N LEU A 45 -5.558 -8.880 1.481 1.00 0.00 N ATOM 613 CA LEU A 45 -4.111 -8.934 1.496 1.00 0.00 C ATOM 614 C LEU A 45 -3.698 -7.595 0.930 1.00 0.00 C ATOM 615 O LEU A 45 -4.212 -7.209 -0.120 1.00 0.00 O ATOM 616 CB LEU A 45 -3.616 -10.075 0.554 1.00 0.00 C ATOM 617 CG LEU A 45 -2.943 -11.284 1.258 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.921 -12.515 0.330 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.530 -11.004 1.798 1.00 0.00 C ATOM 0 H LEU A 45 -5.954 -9.500 0.774 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.701 -9.127 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.466 -10.440 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.907 -9.652 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.562 -11.485 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.445 -13.350 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.942 -12.788 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.360 -12.279 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.137 -11.903 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.877 -10.714 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.573 -10.197 2.529 1.00 0.00 H new ATOM 631 N ALA A 46 -2.821 -6.835 1.616 1.00 0.00 N ATOM 632 CA ALA A 46 -2.550 -5.459 1.298 1.00 0.00 C ATOM 633 C ALA A 46 -1.074 -5.427 1.391 1.00 0.00 C ATOM 634 O ALA A 46 -0.528 -6.277 2.093 1.00 0.00 O ATOM 635 CB ALA A 46 -3.108 -4.480 2.347 1.00 0.00 C ATOM 0 H ALA A 46 -2.286 -7.183 2.412 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.991 -5.164 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.872 -3.457 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.189 -4.598 2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.658 -4.691 3.317 1.00 0.00 H new ATOM 641 N CYS A 47 -0.374 -4.487 0.712 1.00 0.00 N ATOM 642 CA CYS A 47 1.075 -4.523 0.760 1.00 0.00 C ATOM 643 C CYS A 47 1.420 -3.478 1.765 1.00 0.00 C ATOM 644 O CYS A 47 0.525 -2.814 2.288 1.00 0.00 O ATOM 645 CB CYS A 47 1.784 -4.250 -0.588 1.00 0.00 C ATOM 646 SG CYS A 47 1.232 -5.343 -1.922 1.00 0.00 S ATOM 0 H CYS A 47 -0.780 -3.736 0.155 1.00 0.00 H new ATOM 0 HA CYS A 47 1.419 -5.525 1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.608 -3.215 -0.880 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.860 -4.365 -0.455 1.00 0.00 H new ATOM 651 N TRP A 48 2.713 -3.285 2.086 1.00 0.00 N ATOM 652 CA TRP A 48 3.078 -2.332 3.094 1.00 0.00 C ATOM 653 C TRP A 48 4.309 -1.733 2.505 1.00 0.00 C ATOM 654 O TRP A 48 5.003 -2.407 1.739 1.00 0.00 O ATOM 655 CB TRP A 48 3.269 -2.990 4.498 1.00 0.00 C ATOM 656 CG TRP A 48 3.993 -2.169 5.552 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.319 -1.875 5.557 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.427 -1.504 6.698 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.623 -1.027 6.582 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.476 -0.771 7.300 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.138 -1.472 7.217 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.242 0.025 8.417 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.904 -0.676 8.348 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.939 0.069 8.935 1.00 0.00 C ATOM 0 H TRP A 48 3.496 -3.779 1.657 1.00 0.00 H new ATOM 0 HA TRP A 48 2.317 -1.582 3.312 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.284 -3.249 4.888 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.814 -3.924 4.363 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.035 -2.260 4.846 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.547 -0.646 6.783 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.341 -2.043 6.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.040 0.593 8.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.912 -0.636 8.774 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.729 0.685 9.797 1.00 0.00 H new ATOM 675 N CYS A 49 4.560 -0.441 2.835 1.00 0.00 N ATOM 676 CA CYS A 49 5.686 0.329 2.385 1.00 0.00 C ATOM 677 C CYS A 49 6.061 1.172 3.559 1.00 0.00 C ATOM 678 O CYS A 49 5.211 1.474 4.400 1.00 0.00 O ATOM 679 CB CYS A 49 5.374 1.293 1.226 1.00 0.00 C ATOM 680 SG CYS A 49 5.198 0.432 -0.352 1.00 0.00 S ATOM 0 H CYS A 49 3.942 0.090 3.448 1.00 0.00 H new ATOM 0 HA CYS A 49 6.454 -0.355 2.023 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.455 1.836 1.446 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.171 2.033 1.147 1.00 0.00 H new ATOM 685 N ASN A 50 7.345 1.584 3.629 1.00 0.00 N ATOM 686 CA ASN A 50 7.830 2.477 4.651 1.00 0.00 C ATOM 687 C ASN A 50 8.426 3.639 3.916 1.00 0.00 C ATOM 688 O ASN A 50 9.172 3.437 2.959 1.00 0.00 O ATOM 689 CB ASN A 50 8.968 1.898 5.535 1.00 0.00 C ATOM 690 CG ASN A 50 8.429 0.883 6.549 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.245 -0.301 6.246 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.148 1.357 7.798 1.00 0.00 N ATOM 0 H ASN A 50 8.062 1.293 2.964 1.00 0.00 H new ATOM 0 HA ASN A 50 6.995 2.705 5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.715 1.420 4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.470 2.710 6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.776 0.729 8.510 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.310 2.339 8.019 1.00 0.00 H new ATOM 699 N ALA A 51 8.115 4.870 4.392 1.00 0.00 N ATOM 700 CA ALA A 51 8.709 6.132 4.017 1.00 0.00 C ATOM 701 C ALA A 51 8.172 6.596 2.703 1.00 0.00 C ATOM 702 O ALA A 51 8.902 7.138 1.875 1.00 0.00 O ATOM 703 CB ALA A 51 10.249 6.192 4.032 1.00 0.00 C ATOM 0 H ALA A 51 7.388 4.991 5.097 1.00 0.00 H new ATOM 0 HA ALA A 51 8.411 6.815 4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.577 7.187 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.612 5.977 5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.649 5.454 3.336 1.00 0.00 H new ATOM 709 N LEU A 52 6.844 6.441 2.505 1.00 0.00 N ATOM 710 CA LEU A 52 6.204 6.910 1.300 1.00 0.00 C ATOM 711 C LEU A 52 5.992 8.383 1.505 1.00 0.00 C ATOM 712 O LEU A 52 5.562 8.755 2.599 1.00 0.00 O ATOM 713 CB LEU A 52 4.806 6.305 1.008 1.00 0.00 C ATOM 714 CG LEU A 52 4.826 4.861 0.460 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.410 4.262 0.484 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.402 4.775 -0.966 1.00 0.00 C ATOM 0 H LEU A 52 6.215 5.995 3.172 1.00 0.00 H new ATOM 0 HA LEU A 52 6.843 6.627 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.219 6.322 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.292 6.944 0.290 1.00 0.00 H new ATOM 0 HG LEU A 52 5.483 4.286 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.439 3.244 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.038 4.249 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.748 4.868 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.392 3.738 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.796 5.380 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.427 5.147 -0.968 1.00 0.00 H new ATOM 728 N PRO A 53 6.265 9.258 0.546 1.00 0.00 N ATOM 729 CA PRO A 53 6.063 10.682 0.714 1.00 0.00 C ATOM 730 C PRO A 53 4.587 10.985 0.709 1.00 0.00 C ATOM 731 O PRO A 53 3.768 10.115 0.418 1.00 0.00 O ATOM 732 CB PRO A 53 6.802 11.316 -0.476 1.00 0.00 C ATOM 733 CG PRO A 53 6.855 10.223 -1.553 1.00 0.00 C ATOM 734 CD PRO A 53 6.860 8.923 -0.750 1.00 0.00 C ATOM 0 HA PRO A 53 6.443 11.073 1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.277 12.200 -0.839 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.804 11.635 -0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.996 10.277 -2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.747 10.314 -2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.285 8.147 -1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.874 8.541 -0.629 1.00 0.00 H new ATOM 742 N ASP A 54 4.210 12.220 1.065 1.00 0.00 N ATOM 743 CA ASP A 54 2.852 12.527 1.436 1.00 0.00 C ATOM 744 C ASP A 54 1.916 12.628 0.261 1.00 0.00 C ATOM 745 O ASP A 54 0.708 12.772 0.431 1.00 0.00 O ATOM 746 CB ASP A 54 2.792 13.873 2.178 1.00 0.00 C ATOM 747 CG ASP A 54 3.635 13.795 3.451 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.240 13.049 4.386 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.699 14.470 3.498 1.00 0.00 O ATOM 0 H ASP A 54 4.844 13.018 1.099 1.00 0.00 H new ATOM 0 HA ASP A 54 2.532 11.698 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.161 14.671 1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.759 14.116 2.428 1.00 0.00 H new ATOM 754 N ASN A 55 2.454 12.546 -0.971 1.00 0.00 N ATOM 755 CA ASN A 55 1.677 12.625 -2.185 1.00 0.00 C ATOM 756 C ASN A 55 1.147 11.264 -2.553 1.00 0.00 C ATOM 757 O ASN A 55 0.374 11.141 -3.501 1.00 0.00 O ATOM 758 CB ASN A 55 2.488 13.170 -3.397 1.00 0.00 C ATOM 759 CG ASN A 55 3.740 12.317 -3.660 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.658 12.339 -2.832 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.753 11.548 -4.786 1.00 0.00 N ATOM 0 H ASN A 55 3.453 12.422 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 55 0.866 13.323 -1.976 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.857 13.177 -4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.782 14.202 -3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.552 10.946 -4.983 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.963 11.575 -5.431 1.00 0.00 H new ATOM 768 N VAL A 56 1.578 10.201 -1.844 1.00 0.00 N ATOM 769 CA VAL A 56 1.185 8.858 -2.180 1.00 0.00 C ATOM 770 C VAL A 56 -0.024 8.570 -1.344 1.00 0.00 C ATOM 771 O VAL A 56 -0.002 8.734 -0.126 1.00 0.00 O ATOM 772 CB VAL A 56 2.273 7.826 -1.919 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.928 6.514 -2.659 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.622 8.422 -2.378 1.00 0.00 C ATOM 0 H VAL A 56 2.199 10.269 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 56 0.984 8.788 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 56 2.345 7.586 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.707 5.775 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.973 6.133 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.860 6.707 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.418 7.699 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.574 8.655 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.827 9.333 -1.816 1.00 0.00 H new ATOM 784 N GLY A 57 -1.132 8.131 -1.973 1.00 0.00 N ATOM 785 CA GLY A 57 -2.330 7.809 -1.247 1.00 0.00 C ATOM 786 C GLY A 57 -2.263 6.336 -1.075 1.00 0.00 C ATOM 787 O GLY A 57 -1.643 5.643 -1.883 1.00 0.00 O ATOM 0 H GLY A 57 -1.201 7.998 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.364 8.322 -0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.222 8.106 -1.798 1.00 0.00 H new ATOM 791 N ILE A 58 -2.862 5.829 0.013 1.00 0.00 N ATOM 792 CA ILE A 58 -2.673 4.491 0.483 1.00 0.00 C ATOM 793 C ILE A 58 -4.007 4.183 1.094 1.00 0.00 C ATOM 794 O ILE A 58 -5.028 4.643 0.585 1.00 0.00 O ATOM 795 CB ILE A 58 -1.499 4.394 1.457 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.530 5.434 2.601 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.190 4.533 0.653 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.409 5.202 3.615 1.00 0.00 C ATOM 0 H ILE A 58 -3.505 6.371 0.591 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.399 3.772 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.570 3.424 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.439 6.436 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.494 5.387 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.662 4.467 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.130 3.733 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.175 5.497 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.468 5.955 4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.515 4.210 4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.556 5.276 3.114 1.00 0.00 H new ATOM 810 N ILE A 59 -4.040 3.424 2.214 1.00 0.00 N ATOM 811 CA ILE A 59 -5.233 3.266 3.018 1.00 0.00 C ATOM 812 C ILE A 59 -5.417 4.601 3.707 1.00 0.00 C ATOM 813 O ILE A 59 -4.526 5.108 4.388 1.00 0.00 O ATOM 814 CB ILE A 59 -5.236 2.069 3.977 1.00 0.00 C ATOM 815 CG1 ILE A 59 -5.404 0.732 3.197 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.375 2.193 5.022 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.153 0.224 2.475 1.00 0.00 C ATOM 0 H ILE A 59 -3.232 2.913 2.569 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.081 3.011 2.383 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.276 2.067 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.735 -0.036 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.199 0.859 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.353 1.331 5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.238 3.105 5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.336 2.231 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.382 -0.712 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.828 0.965 1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.357 0.057 3.201 1.00 0.00 H new ATOM 829 N VAL A 60 -6.571 5.228 3.431 1.00 0.00 N ATOM 830 CA VAL A 60 -6.799 6.632 3.530 1.00 0.00 C ATOM 831 C VAL A 60 -8.265 6.695 3.801 1.00 0.00 C ATOM 832 O VAL A 60 -8.967 5.715 3.527 1.00 0.00 O ATOM 833 CB VAL A 60 -6.367 7.351 2.242 1.00 0.00 C ATOM 834 CG1 VAL A 60 -7.526 7.811 1.322 1.00 0.00 C ATOM 835 CG2 VAL A 60 -5.290 8.408 2.572 1.00 0.00 C ATOM 0 H VAL A 60 -7.398 4.720 3.118 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.222 7.138 4.304 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.893 6.618 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.117 8.307 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.110 6.945 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.167 8.506 1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.986 8.916 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.698 9.136 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.425 7.919 3.020 1.00 0.00 H new ATOM 845 N GLU A 61 -8.712 7.851 4.361 1.00 0.00 N ATOM 846 CA GLU A 61 -10.007 8.144 4.910 1.00 0.00 C ATOM 847 C GLU A 61 -9.942 7.533 6.279 1.00 0.00 C ATOM 848 O GLU A 61 -9.096 7.926 7.077 1.00 0.00 O ATOM 849 CB GLU A 61 -11.202 7.715 4.017 1.00 0.00 C ATOM 850 CG GLU A 61 -12.588 8.235 4.445 1.00 0.00 C ATOM 851 CD GLU A 61 -12.623 9.757 4.327 1.00 0.00 C ATOM 852 OE1 GLU A 61 -12.484 10.264 3.182 1.00 0.00 O ATOM 853 OE2 GLU A 61 -12.782 10.432 5.380 1.00 0.00 O ATOM 0 H GLU A 61 -8.094 8.659 4.432 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.217 9.212 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.008 8.052 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.237 6.626 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.363 7.794 3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.799 7.935 5.471 1.00 0.00 H new ATOM 860 N GLY A 62 -10.772 6.513 6.557 1.00 0.00 N ATOM 861 CA GLY A 62 -10.555 5.603 7.652 1.00 0.00 C ATOM 862 C GLY A 62 -10.130 4.376 6.930 1.00 0.00 C ATOM 863 O GLY A 62 -9.008 3.897 7.057 1.00 0.00 O ATOM 0 H GLY A 62 -11.612 6.311 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.789 5.962 8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.460 5.442 8.239 1.00 0.00 H new ATOM 867 N GLU A 63 -11.029 3.883 6.066 1.00 0.00 N ATOM 868 CA GLU A 63 -10.714 2.984 5.014 1.00 0.00 C ATOM 869 C GLU A 63 -11.903 3.334 4.173 1.00 0.00 C ATOM 870 O GLU A 63 -12.849 3.924 4.705 1.00 0.00 O ATOM 871 CB GLU A 63 -10.681 1.490 5.416 1.00 0.00 C ATOM 872 CG GLU A 63 -10.120 0.568 4.319 1.00 0.00 C ATOM 873 CD GLU A 63 -9.989 -0.854 4.859 1.00 0.00 C ATOM 874 OE1 GLU A 63 -10.987 -1.616 4.758 1.00 0.00 O ATOM 875 OE2 GLU A 63 -8.892 -1.197 5.375 1.00 0.00 O ATOM 0 H GLU A 63 -12.019 4.124 6.105 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.721 3.082 4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.077 1.378 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.691 1.168 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.778 0.578 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.148 0.932 3.987 1.00 0.00 H new ATOM 882 N LYS A 64 -11.856 3.054 2.863 1.00 0.00 N ATOM 883 CA LYS A 64 -12.878 3.357 1.912 1.00 0.00 C ATOM 884 C LYS A 64 -12.242 2.638 0.762 1.00 0.00 C ATOM 885 O LYS A 64 -11.179 2.044 0.944 1.00 0.00 O ATOM 886 CB LYS A 64 -13.032 4.878 1.606 1.00 0.00 C ATOM 887 CG LYS A 64 -14.340 5.314 0.911 1.00 0.00 C ATOM 888 CD LYS A 64 -15.641 4.938 1.647 1.00 0.00 C ATOM 889 CE LYS A 64 -15.774 5.577 3.039 1.00 0.00 C ATOM 890 NZ LYS A 64 -17.064 5.216 3.674 1.00 0.00 N ATOM 0 H LYS A 64 -11.054 2.587 2.440 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.892 3.081 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.946 5.425 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.194 5.186 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.318 6.396 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.366 4.872 -0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.493 5.239 1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.689 3.854 1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.950 5.250 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.699 6.661 2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.126 5.661 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.849 5.550 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.123 4.183 3.777 1.00 0.00 H new ATOM 904 N CYS A 65 -12.823 2.676 -0.443 1.00 0.00 N ATOM 905 CA CYS A 65 -12.133 2.330 -1.640 1.00 0.00 C ATOM 906 C CYS A 65 -12.863 3.286 -2.509 1.00 0.00 C ATOM 907 O CYS A 65 -14.045 3.531 -2.248 1.00 0.00 O ATOM 908 CB CYS A 65 -12.332 0.860 -2.122 1.00 0.00 C ATOM 909 SG CYS A 65 -11.904 0.542 -3.879 1.00 0.00 S ATOM 0 H CYS A 65 -13.794 2.953 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.046 2.384 -1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -11.728 0.205 -1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -13.374 0.582 -1.963 1.00 0.00 H new ATOM 914 N HIS A 66 -12.191 3.853 -3.521 1.00 0.00 N ATOM 915 CA HIS A 66 -12.852 4.529 -4.589 1.00 0.00 C ATOM 916 C HIS A 66 -11.726 4.556 -5.559 1.00 0.00 C ATOM 917 O HIS A 66 -10.625 4.115 -5.227 1.00 0.00 O ATOM 918 CB HIS A 66 -13.418 5.940 -4.270 1.00 0.00 C ATOM 919 CG HIS A 66 -12.497 6.849 -3.505 1.00 0.00 C ATOM 920 ND1 HIS A 66 -11.699 7.779 -4.110 1.00 0.00 N ATOM 921 CD2 HIS A 66 -12.288 6.950 -2.171 1.00 0.00 C ATOM 922 CE1 HIS A 66 -11.020 8.423 -3.171 1.00 0.00 C ATOM 923 NE2 HIS A 66 -11.362 7.940 -1.984 1.00 0.00 N ATOM 0 H HIS A 66 -11.174 3.843 -3.600 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.772 4.043 -4.913 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.683 6.427 -5.209 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.340 5.822 -3.700 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.762 6.361 -1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.304 9.213 -3.344 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.997 8.253 -1.085 1.00 0.00 H new ATOM 932 N SER A 67 -11.971 5.011 -6.792 1.00 0.00 N ATOM 933 CA SER A 67 -11.014 5.079 -7.845 1.00 0.00 C ATOM 934 C SER A 67 -11.925 5.791 -8.845 1.00 0.00 C ATOM 935 O SER A 67 -13.113 5.941 -8.516 1.00 0.00 O ATOM 936 CB SER A 67 -10.545 3.709 -8.382 1.00 0.00 C ATOM 937 OG SER A 67 -9.639 3.122 -7.454 1.00 0.00 O ATOM 0 H SER A 67 -12.891 5.352 -7.072 1.00 0.00 H new ATOM 0 HA SER A 67 -10.062 5.542 -7.586 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.402 3.053 -8.535 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.061 3.832 -9.351 1.00 0.00 H new ATOM 0 HG SER A 67 -9.621 3.655 -6.632 1.00 0.00 H new HETATM 943 N NH2 A 68 -11.398 6.231 -10.017 1.00 0.00 N TER 946 NH2 A 68