USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 717 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 75 TYR OH : rot 180:sc= 0.00228 USER MOD Set 1.2: A 94 SER OG : rot 114:sc= 0.743 USER MOD Set 2.1: A 41 TYR OH : rot -5:sc= 1.35 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 0.923 K(o=3.5,f=-6.1!) USER MOD Set 2.3: A 85 SER OG : rot -34:sc= 1.24 USER MOD Set 3.1: A 34 SER OG : rot -107:sc= 1.68 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.393 USER MOD Single : A 7 THR OG1 : rot -46:sc= 0.01 USER MOD Single : A 10 THR OG1 : rot -149:sc= 0.142 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.0144 K(o=0.014,f=-1.2) USER MOD Single : A 43 SER OG : rot -150:sc= -0.0613 USER MOD Single : A 45 SER OG : rot 81:sc= 1.21 USER MOD Single : A 46 SER OG : rot 157:sc= 1.16 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.303 K(o=0.3,f=-0.37) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -57:sc= 0.85 USER MOD Single : A 74 ASN : amide:sc= 0.389 X(o=0.39,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.213 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.032) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 40:sc= 0.25 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 68:sc= 1.31 USER MOD Single : A 98 THR OG1 : rot -10:sc= 0.608 USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 3 -11.907 -6.896 -2.925 1.00 0.00 N ATOM 27 CA PRO A 3 -10.597 -6.284 -3.084 1.00 0.00 C ATOM 28 C PRO A 3 -10.272 -6.099 -4.574 1.00 0.00 C ATOM 29 O PRO A 3 -11.068 -6.489 -5.435 1.00 0.00 O ATOM 30 CB PRO A 3 -9.627 -7.253 -2.408 1.00 0.00 C ATOM 31 CG PRO A 3 -10.295 -8.618 -2.552 1.00 0.00 C ATOM 32 CD PRO A 3 -11.780 -8.282 -2.491 1.00 0.00 C ATOM 0 HA PRO A 3 -10.539 -5.291 -2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.649 -7.236 -2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.472 -6.995 -1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.029 -9.100 -3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.002 -9.297 -1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.355 -8.945 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.166 -8.409 -1.479 1.00 0.00 H new ATOM 40 N ILE A 4 -9.117 -5.515 -4.893 1.00 0.00 N ATOM 41 CA ILE A 4 -8.609 -5.386 -6.254 1.00 0.00 C ATOM 42 C ILE A 4 -7.425 -6.344 -6.355 1.00 0.00 C ATOM 43 O ILE A 4 -6.545 -6.355 -5.485 1.00 0.00 O ATOM 44 CB ILE A 4 -8.192 -3.934 -6.598 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.301 -2.893 -6.319 1.00 0.00 C ATOM 46 CG2 ILE A 4 -7.798 -3.815 -8.083 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.208 -2.308 -4.909 1.00 0.00 C ATOM 0 H ILE A 4 -8.495 -5.109 -4.193 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.388 -5.633 -6.975 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.345 -3.717 -5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.231 -2.087 -7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.277 -3.360 -6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.509 -2.787 -8.301 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.960 -4.480 -8.291 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.646 -4.094 -8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.008 -1.583 -4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.305 -3.109 -4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.244 -1.815 -4.782 1.00 0.00 H new ATOM 59 N ALA A 5 -7.376 -7.116 -7.439 1.00 0.00 N ATOM 60 CA ALA A 5 -6.281 -8.031 -7.675 1.00 0.00 C ATOM 61 C ALA A 5 -5.172 -7.209 -8.314 1.00 0.00 C ATOM 62 O ALA A 5 -5.344 -6.664 -9.414 1.00 0.00 O ATOM 63 CB ALA A 5 -6.715 -9.182 -8.588 1.00 0.00 C ATOM 0 H ALA A 5 -8.091 -7.119 -8.167 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.942 -8.490 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.873 -9.855 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.533 -9.729 -8.120 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.048 -8.781 -9.545 1.00 0.00 H new ATOM 69 N ILE A 6 -4.065 -7.061 -7.596 1.00 0.00 N ATOM 70 CA ILE A 6 -2.864 -6.423 -8.102 1.00 0.00 C ATOM 71 C ILE A 6 -1.895 -7.572 -8.393 1.00 0.00 C ATOM 72 O ILE A 6 -1.994 -8.637 -7.790 1.00 0.00 O ATOM 73 CB ILE A 6 -2.428 -5.257 -7.180 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.262 -5.539 -5.674 1.00 0.00 C ATOM 75 CG2 ILE A 6 -3.482 -4.138 -7.292 1.00 0.00 C ATOM 76 CD1 ILE A 6 -0.965 -6.257 -5.334 1.00 0.00 C ATOM 0 H ILE A 6 -3.979 -7.387 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.972 -5.879 -9.040 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.429 -5.013 -7.540 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.300 -4.596 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.103 -6.141 -5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.197 -3.304 -6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.542 -3.797 -8.326 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.454 -4.521 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.913 -6.424 -4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.933 -7.216 -5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.118 -5.647 -5.648 1.00 0.00 H new ATOM 88 N THR A 7 -0.956 -7.395 -9.316 1.00 0.00 N ATOM 89 CA THR A 7 -0.081 -8.483 -9.762 1.00 0.00 C ATOM 90 C THR A 7 1.328 -8.326 -9.179 1.00 0.00 C ATOM 91 O THR A 7 2.338 -8.597 -9.827 1.00 0.00 O ATOM 92 CB THR A 7 -0.229 -8.605 -11.290 1.00 0.00 C ATOM 93 OG1 THR A 7 0.327 -9.804 -11.786 1.00 0.00 O ATOM 94 CG2 THR A 7 0.326 -7.398 -12.050 1.00 0.00 C ATOM 0 H THR A 7 -0.777 -6.502 -9.776 1.00 0.00 H new ATOM 0 HA THR A 7 -0.369 -9.458 -9.370 1.00 0.00 H new ATOM 0 HB THR A 7 -1.303 -8.628 -11.472 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.209 -9.947 -11.384 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.190 -7.548 -13.121 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.204 -6.498 -11.740 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.388 -7.287 -11.831 1.00 0.00 H new ATOM 102 N CYS A 8 1.380 -7.851 -7.932 1.00 0.00 N ATOM 103 CA CYS A 8 2.552 -7.576 -7.104 1.00 0.00 C ATOM 104 C CYS A 8 3.685 -6.774 -7.765 1.00 0.00 C ATOM 105 O CYS A 8 4.725 -6.580 -7.143 1.00 0.00 O ATOM 106 CB CYS A 8 3.081 -8.904 -6.567 1.00 0.00 C ATOM 107 SG CYS A 8 1.951 -9.850 -5.526 1.00 0.00 S ATOM 0 H CYS A 8 0.520 -7.629 -7.431 1.00 0.00 H new ATOM 0 HA CYS A 8 2.206 -6.915 -6.309 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.368 -9.526 -7.415 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.988 -8.706 -5.996 1.00 0.00 H new ATOM 112 N PHE A 9 3.447 -6.156 -8.916 1.00 0.00 N ATOM 113 CA PHE A 9 4.372 -5.259 -9.607 1.00 0.00 C ATOM 114 C PHE A 9 3.780 -3.840 -9.641 1.00 0.00 C ATOM 115 O PHE A 9 4.447 -2.862 -9.965 1.00 0.00 O ATOM 116 CB PHE A 9 4.583 -5.846 -11.013 1.00 0.00 C ATOM 117 CG PHE A 9 5.832 -5.404 -11.747 1.00 0.00 C ATOM 118 CD1 PHE A 9 7.098 -5.781 -11.256 1.00 0.00 C ATOM 119 CD2 PHE A 9 5.734 -4.710 -12.968 1.00 0.00 C ATOM 120 CE1 PHE A 9 8.257 -5.468 -11.987 1.00 0.00 C ATOM 121 CE2 PHE A 9 6.895 -4.397 -13.697 1.00 0.00 C ATOM 122 CZ PHE A 9 8.154 -4.781 -13.207 1.00 0.00 C ATOM 0 H PHE A 9 2.566 -6.270 -9.417 1.00 0.00 H new ATOM 0 HA PHE A 9 5.334 -5.180 -9.101 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.602 -6.933 -10.930 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.718 -5.588 -11.624 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.178 -6.310 -10.318 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.765 -4.417 -13.345 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.227 -5.756 -11.610 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.819 -3.862 -14.632 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.045 -4.547 -13.770 1.00 0.00 H new ATOM 132 N THR A 10 2.499 -3.738 -9.302 1.00 0.00 N ATOM 133 CA THR A 10 1.614 -2.599 -9.340 1.00 0.00 C ATOM 134 C THR A 10 2.018 -1.485 -8.365 1.00 0.00 C ATOM 135 O THR A 10 2.150 -1.722 -7.164 1.00 0.00 O ATOM 136 CB THR A 10 0.228 -3.161 -8.968 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.021 -4.413 -9.610 1.00 0.00 O ATOM 138 CG2 THR A 10 -0.906 -2.184 -9.272 1.00 0.00 C ATOM 0 H THR A 10 2.005 -4.559 -8.952 1.00 0.00 H new ATOM 0 HA THR A 10 1.639 -2.132 -10.325 1.00 0.00 H new ATOM 0 HB THR A 10 0.249 -3.316 -7.889 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.981 -4.508 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.858 -2.633 -8.990 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.756 -1.265 -8.706 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.914 -1.956 -10.338 1.00 0.00 H new ATOM 146 N ARG A 11 2.236 -0.264 -8.863 1.00 0.00 N ATOM 147 CA ARG A 11 2.477 0.889 -7.999 1.00 0.00 C ATOM 148 C ARG A 11 1.116 1.361 -7.481 1.00 0.00 C ATOM 149 O ARG A 11 0.075 1.084 -8.084 1.00 0.00 O ATOM 150 CB ARG A 11 3.205 1.995 -8.780 1.00 0.00 C ATOM 151 CG ARG A 11 4.669 1.614 -9.070 1.00 0.00 C ATOM 152 CD ARG A 11 5.369 2.639 -9.975 1.00 0.00 C ATOM 153 NE ARG A 11 4.772 2.582 -11.312 1.00 0.00 N ATOM 154 CZ ARG A 11 4.754 3.507 -12.271 1.00 0.00 C ATOM 155 NH1 ARG A 11 5.494 4.606 -12.213 1.00 0.00 N ATOM 156 NH2 ARG A 11 3.928 3.327 -13.292 1.00 0.00 N ATOM 0 H ARG A 11 2.250 -0.052 -9.861 1.00 0.00 H new ATOM 0 HA ARG A 11 3.118 0.625 -7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.684 2.181 -9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.176 2.923 -8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.214 1.531 -8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.700 0.633 -9.544 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.265 3.641 -9.559 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.436 2.426 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 11 4.302 1.707 -11.542 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.106 4.767 -11.413 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.451 5.290 -12.968 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.332 2.500 -13.326 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.889 4.015 -14.044 1.00 0.00 H new ATOM 170 N GLY A 12 1.106 2.156 -6.415 1.00 0.00 N ATOM 171 CA GLY A 12 -0.093 2.739 -5.824 1.00 0.00 C ATOM 172 C GLY A 12 -0.818 3.727 -6.744 1.00 0.00 C ATOM 173 O GLY A 12 -1.850 4.261 -6.348 1.00 0.00 O ATOM 0 H GLY A 12 1.960 2.420 -5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.780 1.937 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.180 3.250 -4.901 1.00 0.00 H new ATOM 177 N LEU A 13 -0.329 3.962 -7.963 1.00 0.00 N ATOM 178 CA LEU A 13 -0.959 4.817 -8.960 1.00 0.00 C ATOM 179 C LEU A 13 -2.250 4.158 -9.449 1.00 0.00 C ATOM 180 O LEU A 13 -3.198 4.854 -9.814 1.00 0.00 O ATOM 181 CB LEU A 13 -0.012 5.013 -10.156 1.00 0.00 C ATOM 182 CG LEU A 13 1.382 5.571 -9.804 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.320 5.418 -10.996 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.349 7.043 -9.388 1.00 0.00 C ATOM 0 H LEU A 13 0.544 3.548 -8.290 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.181 5.785 -8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.114 4.055 -10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.487 5.688 -10.868 1.00 0.00 H new ATOM 0 HG LEU A 13 1.740 4.994 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.302 5.814 -10.739 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.411 4.363 -11.255 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.919 5.967 -11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.359 7.377 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.949 7.643 -10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.715 7.159 -8.509 1.00 0.00 H new ATOM 196 N ASP A 14 -2.306 2.824 -9.443 1.00 0.00 N ATOM 197 CA ASP A 14 -3.514 2.069 -9.762 1.00 0.00 C ATOM 198 C ASP A 14 -4.542 2.196 -8.642 1.00 0.00 C ATOM 199 O ASP A 14 -5.724 2.404 -8.906 1.00 0.00 O ATOM 200 CB ASP A 14 -3.210 0.573 -9.950 1.00 0.00 C ATOM 201 CG ASP A 14 -2.662 0.235 -11.331 1.00 0.00 C ATOM 202 OD1 ASP A 14 -1.554 0.692 -11.687 1.00 0.00 O ATOM 203 OD2 ASP A 14 -3.340 -0.512 -12.079 1.00 0.00 O ATOM 0 H ASP A 14 -1.505 2.235 -9.214 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.907 2.485 -10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.490 0.259 -9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.122 0.000 -9.779 1.00 0.00 H new ATOM 208 N ILE A 15 -4.109 2.076 -7.386 1.00 0.00 N ATOM 209 CA ILE A 15 -5.000 2.036 -6.232 1.00 0.00 C ATOM 210 C ILE A 15 -5.166 3.443 -5.663 1.00 0.00 C ATOM 211 O ILE A 15 -4.401 3.876 -4.800 1.00 0.00 O ATOM 212 CB ILE A 15 -4.478 0.988 -5.221 1.00 0.00 C ATOM 213 CG1 ILE A 15 -4.232 -0.391 -5.887 1.00 0.00 C ATOM 214 CG2 ILE A 15 -5.438 0.840 -4.026 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.468 -1.035 -6.535 1.00 0.00 C ATOM 0 H ILE A 15 -3.121 2.003 -7.142 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.002 1.712 -6.513 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.520 1.356 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.461 -0.276 -6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.838 -1.075 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.044 0.097 -3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.533 1.798 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.417 0.520 -4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.191 -1.994 -6.972 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.237 -1.189 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.853 -0.379 -7.315 1.00 0.00 H new ATOM 227 N ARG A 16 -6.213 4.147 -6.103 1.00 0.00 N ATOM 228 CA ARG A 16 -6.457 5.545 -5.737 1.00 0.00 C ATOM 229 C ARG A 16 -7.840 5.733 -5.138 1.00 0.00 C ATOM 230 O ARG A 16 -8.378 6.840 -5.128 1.00 0.00 O ATOM 231 CB ARG A 16 -6.298 6.416 -6.995 1.00 0.00 C ATOM 232 CG ARG A 16 -4.905 6.416 -7.630 1.00 0.00 C ATOM 233 CD ARG A 16 -4.016 7.543 -7.110 1.00 0.00 C ATOM 234 NE ARG A 16 -3.668 7.389 -5.689 1.00 0.00 N ATOM 235 CZ ARG A 16 -4.031 8.163 -4.660 1.00 0.00 C ATOM 236 NH1 ARG A 16 -4.849 9.195 -4.819 1.00 0.00 N ATOM 237 NH2 ARG A 16 -3.563 7.894 -3.448 1.00 0.00 N ATOM 0 H ARG A 16 -6.920 3.760 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.734 5.843 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.017 6.079 -7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.561 7.443 -6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.422 5.459 -7.434 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.004 6.508 -8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.101 7.579 -7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.525 8.496 -7.253 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.075 6.591 -5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.218 9.415 -5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.109 9.768 -4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.933 7.104 -3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.833 8.477 -2.656 1.00 0.00 H new ATOM 251 N LYS A 17 -8.423 4.669 -4.594 1.00 0.00 N ATOM 252 CA LYS A 17 -9.685 4.784 -3.876 1.00 0.00 C ATOM 253 C LYS A 17 -9.349 5.373 -2.513 1.00 0.00 C ATOM 254 O LYS A 17 -8.222 5.225 -2.041 1.00 0.00 O ATOM 255 CB LYS A 17 -10.372 3.420 -3.730 1.00 0.00 C ATOM 256 CG LYS A 17 -10.634 2.651 -5.038 1.00 0.00 C ATOM 257 CD LYS A 17 -11.521 3.386 -6.057 1.00 0.00 C ATOM 258 CE LYS A 17 -10.732 4.347 -6.957 1.00 0.00 C ATOM 259 NZ LYS A 17 -11.607 5.037 -7.922 1.00 0.00 N ATOM 0 H LYS A 17 -8.043 3.723 -4.637 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.384 5.419 -4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.759 2.795 -3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.325 3.568 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.676 2.426 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.101 1.697 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.034 2.653 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.290 3.945 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.219 5.085 -6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.964 3.792 -7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.037 5.677 -8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.077 4.335 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.325 5.587 -7.408 1.00 0.00 H new ATOM 273 N GLU A 18 -10.334 5.975 -1.850 1.00 0.00 N ATOM 274 CA GLU A 18 -10.169 6.535 -0.514 1.00 0.00 C ATOM 275 C GLU A 18 -9.627 5.463 0.448 1.00 0.00 C ATOM 276 O GLU A 18 -8.868 5.759 1.372 1.00 0.00 O ATOM 277 CB GLU A 18 -11.479 7.183 -0.059 1.00 0.00 C ATOM 278 CG GLU A 18 -11.321 8.070 1.184 1.00 0.00 C ATOM 279 CD GLU A 18 -10.369 9.267 1.038 1.00 0.00 C ATOM 280 OE1 GLU A 18 -10.015 9.686 -0.088 1.00 0.00 O ATOM 281 OE2 GLU A 18 -9.962 9.822 2.088 1.00 0.00 O ATOM 0 H GLU A 18 -11.274 6.088 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.423 7.330 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.882 7.783 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.208 6.401 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.305 8.445 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.969 7.449 2.007 1.00 0.00 H new ATOM 288 N LYS A 19 -10.020 4.208 0.242 1.00 0.00 N ATOM 289 CA LYS A 19 -9.535 3.019 0.926 1.00 0.00 C ATOM 290 C LYS A 19 -9.882 1.845 0.022 1.00 0.00 C ATOM 291 O LYS A 19 -10.877 1.918 -0.706 1.00 0.00 O ATOM 292 CB LYS A 19 -10.082 2.894 2.354 1.00 0.00 C ATOM 293 CG LYS A 19 -11.602 3.044 2.532 1.00 0.00 C ATOM 294 CD LYS A 19 -11.931 3.365 3.997 1.00 0.00 C ATOM 295 CE LYS A 19 -11.602 4.833 4.317 1.00 0.00 C ATOM 296 NZ LYS A 19 -11.577 5.094 5.769 1.00 0.00 N ATOM 0 H LYS A 19 -10.732 3.984 -0.453 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.457 3.061 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.789 1.920 2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.592 3.646 2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.976 3.837 1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.104 2.124 2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.987 3.173 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.363 2.708 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.634 5.089 3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.341 5.481 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.351 6.095 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.508 4.875 6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.854 4.496 6.217 1.00 0.00 H new ATOM 310 N ALA A 20 -9.040 0.820 -0.006 1.00 0.00 N ATOM 311 CA ALA A 20 -9.161 -0.330 -0.886 1.00 0.00 C ATOM 312 C ALA A 20 -8.467 -1.522 -0.244 1.00 0.00 C ATOM 313 O ALA A 20 -7.468 -1.353 0.455 1.00 0.00 O ATOM 314 CB ALA A 20 -8.463 -0.021 -2.212 1.00 0.00 C ATOM 0 H ALA A 20 -8.226 0.767 0.606 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.214 -0.552 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.550 -0.880 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.932 0.847 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.410 0.191 -2.028 1.00 0.00 H new ATOM 320 N ASP A 21 -8.988 -2.720 -0.461 1.00 0.00 N ATOM 321 CA ASP A 21 -8.355 -3.961 -0.027 1.00 0.00 C ATOM 322 C ASP A 21 -7.695 -4.495 -1.292 1.00 0.00 C ATOM 323 O ASP A 21 -8.299 -4.417 -2.365 1.00 0.00 O ATOM 324 CB ASP A 21 -9.379 -4.963 0.529 1.00 0.00 C ATOM 325 CG ASP A 21 -9.958 -4.589 1.892 1.00 0.00 C ATOM 326 OD1 ASP A 21 -9.957 -3.395 2.279 1.00 0.00 O ATOM 327 OD2 ASP A 21 -10.533 -5.468 2.567 1.00 0.00 O ATOM 0 H ASP A 21 -9.872 -2.862 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.647 -3.800 0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.197 -5.060 -0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.905 -5.942 0.606 1.00 0.00 H new ATOM 332 N VAL A 22 -6.461 -4.986 -1.224 1.00 0.00 N ATOM 333 CA VAL A 22 -5.741 -5.448 -2.408 1.00 0.00 C ATOM 334 C VAL A 22 -5.062 -6.782 -2.114 1.00 0.00 C ATOM 335 O VAL A 22 -4.605 -7.019 -0.998 1.00 0.00 O ATOM 336 CB VAL A 22 -4.772 -4.363 -2.928 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.484 -3.025 -3.181 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.578 -4.099 -1.994 1.00 0.00 C ATOM 0 H VAL A 22 -5.935 -5.075 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.447 -5.624 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.394 -4.772 -3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.764 -2.293 -3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.268 -3.165 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.927 -2.667 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.942 -3.326 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.943 -3.768 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.002 -5.016 -1.872 1.00 0.00 H new ATOM 348 N LEU A 23 -4.990 -7.662 -3.110 1.00 0.00 N ATOM 349 CA LEU A 23 -4.370 -8.980 -2.993 1.00 0.00 C ATOM 350 C LEU A 23 -3.092 -8.996 -3.800 1.00 0.00 C ATOM 351 O LEU A 23 -3.123 -8.632 -4.974 1.00 0.00 O ATOM 352 CB LEU A 23 -5.317 -10.098 -3.475 1.00 0.00 C ATOM 353 CG LEU A 23 -6.381 -10.589 -2.472 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.790 -11.708 -1.606 1.00 0.00 C ATOM 355 CD2 LEU A 23 -6.961 -9.513 -1.556 1.00 0.00 C ATOM 0 H LEU A 23 -5.368 -7.476 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.151 -9.169 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.830 -9.746 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.710 -10.953 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.211 -10.939 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.542 -12.055 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.482 -12.537 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.926 -11.328 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.699 -9.961 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.161 -9.069 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.438 -8.740 -2.159 1.00 0.00 H new ATOM 367 N CYS A 24 -1.999 -9.432 -3.172 1.00 0.00 N ATOM 368 CA CYS A 24 -0.707 -9.649 -3.802 1.00 0.00 C ATOM 369 C CYS A 24 -0.483 -11.170 -3.875 1.00 0.00 C ATOM 370 O CYS A 24 0.087 -11.733 -2.941 1.00 0.00 O ATOM 371 CB CYS A 24 0.397 -8.923 -3.010 1.00 0.00 C ATOM 372 SG CYS A 24 2.097 -9.136 -3.619 1.00 0.00 S ATOM 0 H CYS A 24 -1.995 -9.650 -2.176 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.677 -9.237 -4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.168 -7.857 -3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.358 -9.266 -1.976 1.00 0.00 H new ATOM 377 N PRO A 25 -0.963 -11.868 -4.916 1.00 0.00 N ATOM 378 CA PRO A 25 -0.702 -13.288 -5.125 1.00 0.00 C ATOM 379 C PRO A 25 0.717 -13.531 -5.647 1.00 0.00 C ATOM 380 O PRO A 25 1.306 -12.666 -6.295 1.00 0.00 O ATOM 381 CB PRO A 25 -1.727 -13.723 -6.168 1.00 0.00 C ATOM 382 CG PRO A 25 -1.939 -12.456 -6.996 1.00 0.00 C ATOM 383 CD PRO A 25 -1.786 -11.335 -5.984 1.00 0.00 C ATOM 0 HA PRO A 25 -0.782 -13.848 -4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.356 -14.546 -6.779 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.654 -14.062 -5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.205 -12.374 -7.798 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.924 -12.443 -7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.318 -10.461 -6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.757 -11.016 -5.606 1.00 0.00 H new ATOM 391 N GLY A 26 1.226 -14.746 -5.474 1.00 0.00 N ATOM 392 CA GLY A 26 2.532 -15.147 -5.978 1.00 0.00 C ATOM 393 C GLY A 26 3.581 -15.059 -4.878 1.00 0.00 C ATOM 394 O GLY A 26 3.312 -15.418 -3.729 1.00 0.00 O ATOM 0 H GLY A 26 0.736 -15.488 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.483 -16.167 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.818 -14.507 -6.813 1.00 0.00 H new ATOM 398 N GLY A 27 4.796 -14.658 -5.249 1.00 0.00 N ATOM 399 CA GLY A 27 5.965 -14.591 -4.378 1.00 0.00 C ATOM 400 C GLY A 27 6.709 -13.258 -4.448 1.00 0.00 C ATOM 401 O GLY A 27 7.695 -13.110 -3.732 1.00 0.00 O ATOM 0 H GLY A 27 4.999 -14.359 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.651 -14.768 -3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.652 -15.394 -4.644 1.00 0.00 H new ATOM 405 N CYS A 28 6.252 -12.304 -5.268 1.00 0.00 N ATOM 406 CA CYS A 28 6.755 -10.939 -5.383 1.00 0.00 C ATOM 407 C CYS A 28 8.291 -10.836 -5.309 1.00 0.00 C ATOM 408 O CYS A 28 8.830 -10.468 -4.261 1.00 0.00 O ATOM 409 CB CYS A 28 6.044 -10.006 -4.391 1.00 0.00 C ATOM 410 SG CYS A 28 6.282 -8.268 -4.844 1.00 0.00 S ATOM 0 H CYS A 28 5.475 -12.480 -5.905 1.00 0.00 H new ATOM 0 HA CYS A 28 6.509 -10.599 -6.389 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.979 -10.237 -4.370 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.428 -10.179 -3.386 1.00 0.00 H new ATOM 415 N PRO A 29 9.016 -11.186 -6.387 1.00 0.00 N ATOM 416 CA PRO A 29 10.470 -11.085 -6.407 1.00 0.00 C ATOM 417 C PRO A 29 10.889 -9.628 -6.193 1.00 0.00 C ATOM 418 O PRO A 29 10.121 -8.709 -6.497 1.00 0.00 O ATOM 419 CB PRO A 29 10.898 -11.620 -7.775 1.00 0.00 C ATOM 420 CG PRO A 29 9.681 -11.377 -8.666 1.00 0.00 C ATOM 421 CD PRO A 29 8.492 -11.469 -7.713 1.00 0.00 C ATOM 0 HA PRO A 29 10.947 -11.657 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.778 -11.097 -8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.152 -12.679 -7.727 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.730 -10.401 -9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.614 -12.122 -9.459 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.717 -10.753 -7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.039 -12.460 -7.750 1.00 0.00 H new ATOM 429 N LEU A 30 12.109 -9.403 -5.691 1.00 0.00 N ATOM 430 CA LEU A 30 12.588 -8.062 -5.361 1.00 0.00 C ATOM 431 C LEU A 30 13.079 -7.396 -6.644 1.00 0.00 C ATOM 432 O LEU A 30 14.262 -7.093 -6.788 1.00 0.00 O ATOM 433 CB LEU A 30 13.695 -8.093 -4.285 1.00 0.00 C ATOM 434 CG LEU A 30 13.325 -8.843 -2.990 1.00 0.00 C ATOM 435 CD1 LEU A 30 13.901 -10.264 -3.013 1.00 0.00 C ATOM 436 CD2 LEU A 30 13.867 -8.111 -1.755 1.00 0.00 C ATOM 0 H LEU A 30 12.786 -10.143 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 30 11.768 -7.484 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.584 -8.556 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.961 -7.067 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 30 12.237 -8.884 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.631 -10.781 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.495 -10.807 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.987 -10.215 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.592 -8.662 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.953 -8.042 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.442 -7.108 -1.711 1.00 0.00 H new ATOM 448 N GLU A 31 12.174 -7.179 -7.593 1.00 0.00 N ATOM 449 CA GLU A 31 12.505 -6.624 -8.891 1.00 0.00 C ATOM 450 C GLU A 31 12.373 -5.107 -8.838 1.00 0.00 C ATOM 451 O GLU A 31 13.338 -4.386 -9.106 1.00 0.00 O ATOM 452 CB GLU A 31 11.592 -7.231 -9.966 1.00 0.00 C ATOM 453 CG GLU A 31 12.154 -6.949 -11.364 1.00 0.00 C ATOM 454 CD GLU A 31 13.245 -7.957 -11.720 1.00 0.00 C ATOM 455 OE1 GLU A 31 14.408 -7.758 -11.294 1.00 0.00 O ATOM 456 OE2 GLU A 31 12.923 -8.962 -12.400 1.00 0.00 O ATOM 0 H GLU A 31 11.182 -7.387 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 31 13.534 -6.870 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.504 -8.307 -9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.589 -6.813 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.352 -6.998 -12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.560 -5.938 -11.401 1.00 0.00 H new ATOM 463 N GLU A 32 11.185 -4.617 -8.480 1.00 0.00 N ATOM 464 CA GLU A 32 10.878 -3.203 -8.505 1.00 0.00 C ATOM 465 C GLU A 32 10.176 -2.782 -7.224 1.00 0.00 C ATOM 466 O GLU A 32 8.941 -2.792 -7.156 1.00 0.00 O ATOM 467 CB GLU A 32 10.008 -2.865 -9.732 1.00 0.00 C ATOM 468 CG GLU A 32 10.766 -2.832 -11.066 1.00 0.00 C ATOM 469 CD GLU A 32 10.201 -1.725 -11.956 1.00 0.00 C ATOM 470 OE1 GLU A 32 10.514 -0.535 -11.709 1.00 0.00 O ATOM 471 OE2 GLU A 32 9.408 -1.991 -12.883 1.00 0.00 O ATOM 0 H GLU A 32 10.411 -5.201 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 32 11.814 -2.650 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.205 -3.598 -9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.539 -1.894 -9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.828 -2.661 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.678 -3.795 -11.568 1.00 0.00 H new ATOM 478 N PHE A 33 10.952 -2.407 -6.199 1.00 0.00 N ATOM 479 CA PHE A 33 10.370 -1.850 -5.001 1.00 0.00 C ATOM 480 C PHE A 33 10.999 -0.467 -4.966 1.00 0.00 C ATOM 481 O PHE A 33 12.194 -0.317 -4.725 1.00 0.00 O ATOM 482 CB PHE A 33 10.710 -2.681 -3.750 1.00 0.00 C ATOM 483 CG PHE A 33 10.263 -4.136 -3.712 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.191 -4.603 -4.495 1.00 0.00 C ATOM 485 CD2 PHE A 33 10.934 -5.042 -2.869 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.867 -5.965 -4.516 1.00 0.00 C ATOM 487 CE2 PHE A 33 10.546 -6.392 -2.818 1.00 0.00 C ATOM 488 CZ PHE A 33 9.530 -6.862 -3.667 1.00 0.00 C ATOM 0 H PHE A 33 11.969 -2.483 -6.187 1.00 0.00 H new ATOM 0 HA PHE A 33 9.280 -1.834 -5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.792 -2.661 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.276 -2.176 -2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.614 -3.906 -5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.754 -4.697 -2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.103 -6.326 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 33 11.028 -7.067 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 33 9.261 -7.908 -3.666 1.00 0.00 H new ATOM 498 N SER A 34 10.174 0.547 -5.154 1.00 0.00 N ATOM 499 CA SER A 34 10.512 1.945 -5.041 1.00 0.00 C ATOM 500 C SER A 34 9.464 2.449 -4.072 1.00 0.00 C ATOM 501 O SER A 34 8.269 2.259 -4.321 1.00 0.00 O ATOM 502 CB SER A 34 10.464 2.602 -6.425 1.00 0.00 C ATOM 503 OG SER A 34 10.991 3.910 -6.390 1.00 0.00 O ATOM 0 H SER A 34 9.196 0.403 -5.404 1.00 0.00 H new ATOM 0 HA SER A 34 11.518 2.163 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.029 1.999 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.434 2.632 -6.780 1.00 0.00 H new ATOM 0 HG SER A 34 10.261 4.559 -6.473 1.00 0.00 H new ATOM 509 N VAL A 35 9.875 2.990 -2.935 1.00 0.00 N ATOM 510 CA VAL A 35 8.954 3.447 -1.910 1.00 0.00 C ATOM 511 C VAL A 35 9.248 4.929 -1.708 1.00 0.00 C ATOM 512 O VAL A 35 10.341 5.408 -2.026 1.00 0.00 O ATOM 513 CB VAL A 35 9.085 2.538 -0.670 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.019 2.839 0.381 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.907 1.062 -1.052 1.00 0.00 C ATOM 0 H VAL A 35 10.858 3.124 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 35 7.900 3.368 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 35 10.079 2.732 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.152 2.174 1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.113 3.874 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.030 2.684 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.004 0.441 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.920 0.916 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.671 0.779 -1.776 1.00 0.00 H new ATOM 525 N TYR A 36 8.274 5.689 -1.222 1.00 0.00 N ATOM 526 CA TYR A 36 8.424 7.124 -1.122 1.00 0.00 C ATOM 527 C TYR A 36 7.763 7.579 0.165 1.00 0.00 C ATOM 528 O TYR A 36 6.534 7.628 0.218 1.00 0.00 O ATOM 529 CB TYR A 36 7.832 7.805 -2.355 1.00 0.00 C ATOM 530 CG TYR A 36 8.417 7.408 -3.697 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.032 6.198 -4.303 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.323 8.261 -4.356 1.00 0.00 C ATOM 533 CE1 TYR A 36 8.569 5.815 -5.540 1.00 0.00 C ATOM 534 CE2 TYR A 36 9.848 7.896 -5.606 1.00 0.00 C ATOM 535 CZ TYR A 36 9.484 6.666 -6.195 1.00 0.00 C ATOM 536 OH TYR A 36 10.043 6.281 -7.371 1.00 0.00 O ATOM 0 H TYR A 36 7.377 5.331 -0.894 1.00 0.00 H new ATOM 0 HA TYR A 36 9.477 7.404 -1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.762 7.600 -2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.948 8.882 -2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.315 5.558 -3.810 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.614 9.196 -3.900 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.284 4.875 -5.989 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.531 8.557 -6.118 1.00 0.00 H new ATOM 0 HH TYR A 36 10.649 6.982 -7.690 1.00 0.00 H new ATOM 546 N GLY A 37 8.574 7.888 1.176 1.00 0.00 N ATOM 547 CA GLY A 37 8.178 8.230 2.532 1.00 0.00 C ATOM 548 C GLY A 37 7.899 6.976 3.362 1.00 0.00 C ATOM 549 O GLY A 37 7.581 5.918 2.822 1.00 0.00 O ATOM 0 H GLY A 37 9.587 7.906 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.966 8.815 3.007 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.287 8.857 2.506 1.00 0.00 H new ATOM 553 N ASN A 38 8.054 7.089 4.684 1.00 0.00 N ATOM 554 CA ASN A 38 7.709 6.048 5.650 1.00 0.00 C ATOM 555 C ASN A 38 6.308 6.362 6.173 1.00 0.00 C ATOM 556 O ASN A 38 5.981 7.540 6.343 1.00 0.00 O ATOM 557 CB ASN A 38 8.736 6.005 6.790 1.00 0.00 C ATOM 558 CG ASN A 38 8.638 7.209 7.724 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.947 8.330 7.338 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.227 7.006 8.968 1.00 0.00 N ATOM 0 H ASN A 38 8.433 7.929 5.121 1.00 0.00 H new ATOM 0 HA ASN A 38 7.722 5.064 5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.593 5.091 7.367 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.739 5.961 6.367 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.165 7.789 9.619 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.973 6.067 9.274 1.00 0.00 H new ATOM 567 N ILE A 39 5.516 5.335 6.511 1.00 0.00 N ATOM 568 CA ILE A 39 4.100 5.423 6.900 1.00 0.00 C ATOM 569 C ILE A 39 3.232 5.966 5.771 1.00 0.00 C ATOM 570 O ILE A 39 2.290 5.285 5.357 1.00 0.00 O ATOM 571 CB ILE A 39 3.882 6.089 8.286 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.105 5.061 9.409 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.545 6.829 8.474 1.00 0.00 C ATOM 574 CD1 ILE A 39 2.927 4.085 9.580 1.00 0.00 C ATOM 0 H ILE A 39 5.861 4.375 6.521 1.00 0.00 H new ATOM 0 HA ILE A 39 3.745 4.405 7.058 1.00 0.00 H new ATOM 0 HB ILE A 39 4.630 6.880 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.011 4.493 9.198 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.271 5.589 10.348 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.502 7.254 9.477 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.465 7.629 7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.720 6.129 8.341 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.147 3.387 10.387 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.023 4.644 9.821 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.775 3.532 8.653 1.00 0.00 H new ATOM 586 N VAL A 40 3.493 7.188 5.329 1.00 0.00 N ATOM 587 CA VAL A 40 2.860 7.791 4.187 1.00 0.00 C ATOM 588 C VAL A 40 3.699 7.325 3.018 1.00 0.00 C ATOM 589 O VAL A 40 4.875 7.673 2.925 1.00 0.00 O ATOM 590 CB VAL A 40 2.829 9.320 4.303 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.096 9.918 3.097 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.131 9.696 5.614 1.00 0.00 C ATOM 0 H VAL A 40 4.176 7.799 5.777 1.00 0.00 H new ATOM 0 HA VAL A 40 1.814 7.502 4.083 1.00 0.00 H new ATOM 0 HB VAL A 40 3.843 9.721 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.077 11.004 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.614 9.637 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.075 9.539 3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.101 10.781 5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.114 9.303 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.681 9.271 6.454 1.00 0.00 H new ATOM 602 N TYR A 41 3.084 6.542 2.152 1.00 0.00 N ATOM 603 CA TYR A 41 3.621 6.061 0.908 1.00 0.00 C ATOM 604 C TYR A 41 2.942 6.890 -0.170 1.00 0.00 C ATOM 605 O TYR A 41 1.714 6.906 -0.260 1.00 0.00 O ATOM 606 CB TYR A 41 3.341 4.557 0.824 1.00 0.00 C ATOM 607 CG TYR A 41 4.023 3.804 1.954 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.422 3.836 2.033 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.287 3.182 2.980 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.099 3.222 3.096 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.956 2.590 4.071 1.00 0.00 C ATOM 612 CZ TYR A 41 5.370 2.591 4.120 1.00 0.00 C ATOM 613 OH TYR A 41 6.041 2.031 5.164 1.00 0.00 O ATOM 0 H TYR A 41 2.135 6.207 2.316 1.00 0.00 H new ATOM 0 HA TYR A 41 4.700 6.170 0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.266 4.382 0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.690 4.173 -0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.987 4.341 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.208 3.158 2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.178 3.233 3.129 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.389 2.136 4.870 1.00 0.00 H new ATOM 0 HH TYR A 41 7.006 2.087 5.001 1.00 0.00 H new ATOM 623 N ALA A 42 3.707 7.669 -0.933 1.00 0.00 N ATOM 624 CA ALA A 42 3.124 8.432 -2.028 1.00 0.00 C ATOM 625 C ALA A 42 2.604 7.465 -3.090 1.00 0.00 C ATOM 626 O ALA A 42 3.104 6.342 -3.197 1.00 0.00 O ATOM 627 CB ALA A 42 4.154 9.374 -2.632 1.00 0.00 C ATOM 0 H ALA A 42 4.713 7.786 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 42 2.299 9.034 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.699 9.935 -3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.506 10.067 -1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.996 8.796 -3.014 1.00 0.00 H new ATOM 633 N SER A 43 1.680 7.935 -3.927 1.00 0.00 N ATOM 634 CA SER A 43 1.004 7.163 -4.965 1.00 0.00 C ATOM 635 C SER A 43 1.980 6.340 -5.825 1.00 0.00 C ATOM 636 O SER A 43 1.708 5.187 -6.142 1.00 0.00 O ATOM 637 CB SER A 43 0.191 8.161 -5.803 1.00 0.00 C ATOM 638 OG SER A 43 -0.802 7.537 -6.575 1.00 0.00 O ATOM 0 H SER A 43 1.370 8.906 -3.898 1.00 0.00 H new ATOM 0 HA SER A 43 0.349 6.420 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.274 8.891 -5.141 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.865 8.711 -6.460 1.00 0.00 H new ATOM 0 HG SER A 43 -0.957 8.057 -7.391 1.00 0.00 H new ATOM 644 N VAL A 44 3.138 6.898 -6.178 1.00 0.00 N ATOM 645 CA VAL A 44 4.146 6.255 -7.021 1.00 0.00 C ATOM 646 C VAL A 44 4.790 5.003 -6.378 1.00 0.00 C ATOM 647 O VAL A 44 5.422 4.222 -7.087 1.00 0.00 O ATOM 648 CB VAL A 44 5.125 7.354 -7.505 1.00 0.00 C ATOM 649 CG1 VAL A 44 5.749 8.174 -6.363 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.203 6.835 -8.461 1.00 0.00 C ATOM 0 H VAL A 44 3.408 7.835 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 44 3.680 5.814 -7.902 1.00 0.00 H new ATOM 0 HB VAL A 44 4.493 8.035 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.423 8.923 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.960 8.669 -5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.307 7.511 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.852 7.658 -8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.795 6.069 -7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.730 6.408 -9.345 1.00 0.00 H new ATOM 660 N SER A 45 4.627 4.765 -5.072 1.00 0.00 N ATOM 661 CA SER A 45 5.267 3.647 -4.383 1.00 0.00 C ATOM 662 C SER A 45 4.773 2.283 -4.885 1.00 0.00 C ATOM 663 O SER A 45 3.572 2.087 -5.077 1.00 0.00 O ATOM 664 CB SER A 45 5.009 3.731 -2.871 1.00 0.00 C ATOM 665 OG SER A 45 5.311 5.010 -2.340 1.00 0.00 O ATOM 0 H SER A 45 4.047 5.344 -4.466 1.00 0.00 H new ATOM 0 HA SER A 45 6.333 3.726 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.964 3.495 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.610 2.978 -2.361 1.00 0.00 H new ATOM 0 HG SER A 45 4.563 5.620 -2.511 1.00 0.00 H new ATOM 671 N SER A 46 5.694 1.336 -5.067 1.00 0.00 N ATOM 672 CA SER A 46 5.413 -0.056 -5.401 1.00 0.00 C ATOM 673 C SER A 46 4.630 -0.630 -4.218 1.00 0.00 C ATOM 674 O SER A 46 4.993 -0.374 -3.065 1.00 0.00 O ATOM 675 CB SER A 46 6.752 -0.765 -5.639 1.00 0.00 C ATOM 676 OG SER A 46 6.648 -2.169 -5.739 1.00 0.00 O ATOM 0 H SER A 46 6.692 1.527 -4.982 1.00 0.00 H new ATOM 0 HA SER A 46 4.820 -0.181 -6.307 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.199 -0.378 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.432 -0.518 -4.824 1.00 0.00 H new ATOM 0 HG SER A 46 7.418 -2.520 -6.233 1.00 0.00 H new ATOM 682 N ILE A 47 3.547 -1.369 -4.473 1.00 0.00 N ATOM 683 CA ILE A 47 2.674 -1.846 -3.399 1.00 0.00 C ATOM 684 C ILE A 47 3.420 -2.891 -2.556 1.00 0.00 C ATOM 685 O ILE A 47 3.321 -2.828 -1.331 1.00 0.00 O ATOM 686 CB ILE A 47 1.302 -2.313 -3.951 1.00 0.00 C ATOM 687 CG1 ILE A 47 0.526 -1.084 -4.491 1.00 0.00 C ATOM 688 CG2 ILE A 47 0.441 -3.008 -2.875 1.00 0.00 C ATOM 689 CD1 ILE A 47 -0.733 -1.439 -5.292 1.00 0.00 C ATOM 0 H ILE A 47 3.255 -1.649 -5.410 1.00 0.00 H new ATOM 0 HA ILE A 47 2.427 -1.027 -2.723 1.00 0.00 H new ATOM 0 HB ILE A 47 1.497 -3.036 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.242 -0.450 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.192 -0.497 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.509 -3.316 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.968 -3.884 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.255 -2.315 -2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.217 -0.524 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.457 -2.047 -6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.421 -1.999 -4.659 1.00 0.00 H new ATOM 701 N CYS A 48 4.188 -3.812 -3.156 1.00 0.00 N ATOM 702 CA CYS A 48 5.020 -4.748 -2.397 1.00 0.00 C ATOM 703 C CYS A 48 6.038 -3.964 -1.595 1.00 0.00 C ATOM 704 O CYS A 48 6.191 -4.234 -0.408 1.00 0.00 O ATOM 705 CB CYS A 48 5.787 -5.746 -3.272 1.00 0.00 C ATOM 706 SG CYS A 48 4.871 -7.185 -3.850 1.00 0.00 S ATOM 0 H CYS A 48 4.248 -3.926 -4.168 1.00 0.00 H new ATOM 0 HA CYS A 48 4.338 -5.318 -1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.168 -5.213 -4.143 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.652 -6.097 -2.710 1.00 0.00 H new ATOM 711 N GLY A 49 6.700 -2.998 -2.240 1.00 0.00 N ATOM 712 CA GLY A 49 7.653 -2.123 -1.591 1.00 0.00 C ATOM 713 C GLY A 49 7.051 -1.558 -0.311 1.00 0.00 C ATOM 714 O GLY A 49 7.548 -1.843 0.773 1.00 0.00 O ATOM 0 H GLY A 49 6.581 -2.808 -3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.566 -2.672 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.929 -1.310 -2.263 1.00 0.00 H new ATOM 718 N ALA A 50 5.963 -0.795 -0.432 1.00 0.00 N ATOM 719 CA ALA A 50 5.290 -0.152 0.685 1.00 0.00 C ATOM 720 C ALA A 50 4.849 -1.169 1.742 1.00 0.00 C ATOM 721 O ALA A 50 5.057 -0.936 2.928 1.00 0.00 O ATOM 722 CB ALA A 50 4.090 0.646 0.161 1.00 0.00 C ATOM 0 H ALA A 50 5.520 -0.606 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 50 5.993 0.525 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.582 1.130 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.436 1.404 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.397 -0.028 -0.344 1.00 0.00 H new ATOM 728 N ALA A 51 4.214 -2.273 1.338 1.00 0.00 N ATOM 729 CA ALA A 51 3.644 -3.251 2.256 1.00 0.00 C ATOM 730 C ALA A 51 4.725 -3.957 3.073 1.00 0.00 C ATOM 731 O ALA A 51 4.612 -4.046 4.296 1.00 0.00 O ATOM 732 CB ALA A 51 2.783 -4.247 1.474 1.00 0.00 C ATOM 0 H ALA A 51 4.082 -2.511 0.355 1.00 0.00 H new ATOM 0 HA ALA A 51 3.010 -2.729 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.357 -4.978 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.979 -3.713 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.400 -4.760 0.736 1.00 0.00 H new ATOM 738 N VAL A 52 5.751 -4.491 2.416 1.00 0.00 N ATOM 739 CA VAL A 52 6.845 -5.167 3.097 1.00 0.00 C ATOM 740 C VAL A 52 7.619 -4.140 3.940 1.00 0.00 C ATOM 741 O VAL A 52 7.870 -4.403 5.112 1.00 0.00 O ATOM 742 CB VAL A 52 7.693 -5.957 2.078 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.787 -6.772 2.776 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.844 -6.969 1.281 1.00 0.00 C ATOM 0 H VAL A 52 5.845 -4.466 1.401 1.00 0.00 H new ATOM 0 HA VAL A 52 6.481 -5.918 3.799 1.00 0.00 H new ATOM 0 HB VAL A 52 8.121 -5.207 1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.366 -7.317 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.445 -6.100 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.329 -7.479 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.481 -7.503 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.387 -7.681 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.063 -6.439 0.735 1.00 0.00 H new ATOM 754 N HIS A 53 7.913 -2.942 3.413 1.00 0.00 N ATOM 755 CA HIS A 53 8.579 -1.854 4.142 1.00 0.00 C ATOM 756 C HIS A 53 7.824 -1.485 5.421 1.00 0.00 C ATOM 757 O HIS A 53 8.430 -1.298 6.477 1.00 0.00 O ATOM 758 CB HIS A 53 8.705 -0.627 3.227 1.00 0.00 C ATOM 759 CG HIS A 53 9.398 0.560 3.837 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.790 1.594 4.557 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.721 0.837 3.678 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.781 2.469 4.815 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.949 2.037 4.305 1.00 0.00 N ATOM 0 H HIS A 53 7.689 -2.698 2.448 1.00 0.00 H new ATOM 0 HA HIS A 53 9.571 -2.198 4.436 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.245 -0.919 2.327 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.706 -0.323 2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.449 0.231 3.160 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.655 3.394 5.359 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.846 2.517 4.372 1.00 0.00 H new ATOM 771 N ARG A 54 6.497 -1.379 5.341 1.00 0.00 N ATOM 772 CA ARG A 54 5.620 -1.099 6.473 1.00 0.00 C ATOM 773 C ARG A 54 5.591 -2.242 7.484 1.00 0.00 C ATOM 774 O ARG A 54 5.231 -2.006 8.636 1.00 0.00 O ATOM 775 CB ARG A 54 4.206 -0.799 5.942 1.00 0.00 C ATOM 776 CG ARG A 54 3.140 -0.513 7.012 1.00 0.00 C ATOM 777 CD ARG A 54 3.518 0.662 7.918 1.00 0.00 C ATOM 778 NE ARG A 54 2.611 0.775 9.066 1.00 0.00 N ATOM 779 CZ ARG A 54 2.862 0.333 10.306 1.00 0.00 C ATOM 780 NH1 ARG A 54 3.881 -0.473 10.581 1.00 0.00 N ATOM 781 NH2 ARG A 54 2.079 0.714 11.300 1.00 0.00 N ATOM 0 H ARG A 54 5.991 -1.489 4.462 1.00 0.00 H new ATOM 0 HA ARG A 54 6.011 -0.232 7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.263 0.060 5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.875 -1.647 5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.189 -0.300 6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.993 -1.405 7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.540 0.534 8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.494 1.588 7.343 1.00 0.00 H new ATOM 0 HE ARG A 54 1.712 1.229 8.906 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.506 -0.777 9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.038 -0.788 11.538 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.293 1.338 11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.261 0.384 12.248 1.00 0.00 H new ATOM 795 N GLY A 55 5.905 -3.467 7.076 1.00 0.00 N ATOM 796 CA GLY A 55 5.770 -4.620 7.940 1.00 0.00 C ATOM 797 C GLY A 55 4.306 -5.047 7.963 1.00 0.00 C ATOM 798 O GLY A 55 3.663 -5.040 9.016 1.00 0.00 O ATOM 0 H GLY A 55 6.257 -3.681 6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.396 -5.437 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.109 -4.379 8.947 1.00 0.00 H new ATOM 802 N VAL A 56 3.744 -5.313 6.785 1.00 0.00 N ATOM 803 CA VAL A 56 2.403 -5.857 6.616 1.00 0.00 C ATOM 804 C VAL A 56 2.538 -7.353 6.332 1.00 0.00 C ATOM 805 O VAL A 56 2.009 -8.180 7.075 1.00 0.00 O ATOM 806 CB VAL A 56 1.668 -5.106 5.483 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.347 -5.748 5.025 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.392 -3.652 5.888 1.00 0.00 C ATOM 0 H VAL A 56 4.224 -5.151 5.900 1.00 0.00 H new ATOM 0 HA VAL A 56 1.805 -5.723 7.517 1.00 0.00 H new ATOM 0 HB VAL A 56 2.351 -5.160 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.092 -5.148 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.541 -6.755 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.345 -5.796 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.874 -3.140 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.770 -3.635 6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.335 -3.146 6.092 1.00 0.00 H new ATOM 818 N ILE A 57 3.232 -7.689 5.248 1.00 0.00 N ATOM 819 CA ILE A 57 3.394 -9.028 4.699 1.00 0.00 C ATOM 820 C ILE A 57 4.883 -9.331 4.560 1.00 0.00 C ATOM 821 O ILE A 57 5.724 -8.424 4.588 1.00 0.00 O ATOM 822 CB ILE A 57 2.701 -9.122 3.309 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.005 -7.881 2.436 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.178 -9.299 3.439 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.884 -8.134 0.927 1.00 0.00 C ATOM 0 H ILE A 57 3.726 -6.988 4.697 1.00 0.00 H new ATOM 0 HA ILE A 57 2.933 -9.755 5.367 1.00 0.00 H new ATOM 0 HB ILE A 57 3.112 -10.005 2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.323 -7.078 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.014 -7.533 2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.733 -9.360 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.964 -10.215 3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.757 -8.447 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.112 -7.216 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.585 -8.914 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.868 -8.451 0.692 1.00 0.00 H new ATOM 837 N SER A 58 5.212 -10.612 4.423 1.00 0.00 N ATOM 838 CA SER A 58 6.569 -11.044 4.139 1.00 0.00 C ATOM 839 C SER A 58 6.853 -10.722 2.669 1.00 0.00 C ATOM 840 O SER A 58 5.933 -10.387 1.912 1.00 0.00 O ATOM 841 CB SER A 58 6.676 -12.553 4.391 1.00 0.00 C ATOM 842 OG SER A 58 6.214 -12.864 5.694 1.00 0.00 O ATOM 0 H SER A 58 4.542 -11.377 4.506 1.00 0.00 H new ATOM 0 HA SER A 58 7.292 -10.537 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.089 -13.096 3.650 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.711 -12.876 4.277 1.00 0.00 H new ATOM 0 HG SER A 58 6.285 -13.830 5.844 1.00 0.00 H new ATOM 848 N ASN A 59 8.110 -10.836 2.234 1.00 0.00 N ATOM 849 CA ASN A 59 8.445 -10.685 0.823 1.00 0.00 C ATOM 850 C ASN A 59 8.009 -11.970 0.102 1.00 0.00 C ATOM 851 O ASN A 59 8.810 -12.855 -0.199 1.00 0.00 O ATOM 852 CB ASN A 59 9.937 -10.373 0.641 1.00 0.00 C ATOM 853 CG ASN A 59 10.343 -10.439 -0.824 1.00 0.00 C ATOM 854 OD1 ASN A 59 11.287 -11.134 -1.171 1.00 0.00 O ATOM 855 ND2 ASN A 59 9.637 -9.739 -1.696 1.00 0.00 N ATOM 0 H ASN A 59 8.908 -11.032 2.839 1.00 0.00 H new ATOM 0 HA ASN A 59 7.917 -9.837 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.154 -9.380 1.036 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.532 -11.082 1.217 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.875 -9.770 -2.687 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.854 -9.168 -1.377 1.00 0.00 H new ATOM 862 N SER A 60 6.700 -12.109 -0.067 1.00 0.00 N ATOM 863 CA SER A 60 6.002 -13.136 -0.807 1.00 0.00 C ATOM 864 C SER A 60 4.766 -12.464 -1.395 1.00 0.00 C ATOM 865 O SER A 60 4.665 -12.264 -2.602 1.00 0.00 O ATOM 866 CB SER A 60 5.679 -14.325 0.109 1.00 0.00 C ATOM 867 OG SER A 60 4.948 -15.328 -0.572 1.00 0.00 O ATOM 0 H SER A 60 6.049 -11.444 0.350 1.00 0.00 H new ATOM 0 HA SER A 60 6.602 -13.556 -1.614 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.606 -14.749 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.106 -13.977 0.968 1.00 0.00 H new ATOM 0 HG SER A 60 4.762 -16.070 0.041 1.00 0.00 H new ATOM 873 N GLY A 61 3.853 -12.032 -0.527 1.00 0.00 N ATOM 874 CA GLY A 61 2.575 -11.503 -0.943 1.00 0.00 C ATOM 875 C GLY A 61 1.562 -11.755 0.161 1.00 0.00 C ATOM 876 O GLY A 61 1.925 -12.141 1.273 1.00 0.00 O ATOM 0 H GLY A 61 3.988 -12.043 0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.656 -10.435 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.252 -11.979 -1.869 1.00 0.00 H new ATOM 880 N GLY A 62 0.304 -11.451 -0.123 1.00 0.00 N ATOM 881 CA GLY A 62 -0.829 -11.730 0.737 1.00 0.00 C ATOM 882 C GLY A 62 -1.884 -10.640 0.593 1.00 0.00 C ATOM 883 O GLY A 62 -1.716 -9.724 -0.222 1.00 0.00 O ATOM 0 H GLY A 62 0.038 -10.986 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.259 -12.698 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.500 -11.792 1.774 1.00 0.00 H new ATOM 887 N PRO A 63 -3.026 -10.779 1.280 1.00 0.00 N ATOM 888 CA PRO A 63 -4.042 -9.742 1.341 1.00 0.00 C ATOM 889 C PRO A 63 -3.463 -8.553 2.121 1.00 0.00 C ATOM 890 O PRO A 63 -2.826 -8.745 3.162 1.00 0.00 O ATOM 891 CB PRO A 63 -5.227 -10.356 2.092 1.00 0.00 C ATOM 892 CG PRO A 63 -4.992 -11.863 2.057 1.00 0.00 C ATOM 893 CD PRO A 63 -3.486 -12.009 1.898 1.00 0.00 C ATOM 0 HA PRO A 63 -4.353 -9.392 0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.275 -9.990 3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.172 -10.095 1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.343 -12.341 2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.526 -12.329 1.229 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.005 -12.163 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.241 -12.872 1.279 1.00 0.00 H new ATOM 901 N VAL A 64 -3.692 -7.334 1.641 1.00 0.00 N ATOM 902 CA VAL A 64 -3.209 -6.089 2.223 1.00 0.00 C ATOM 903 C VAL A 64 -4.355 -5.070 2.146 1.00 0.00 C ATOM 904 O VAL A 64 -5.275 -5.214 1.338 1.00 0.00 O ATOM 905 CB VAL A 64 -1.936 -5.629 1.465 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.331 -4.379 2.080 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.845 -6.710 1.386 1.00 0.00 C ATOM 0 H VAL A 64 -4.245 -7.182 0.797 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.922 -6.207 3.268 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.281 -5.417 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.442 -4.091 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.059 -3.568 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.057 -4.579 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.016 -6.319 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.540 -6.994 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.236 -7.584 0.866 1.00 0.00 H new ATOM 917 N ARG A 65 -4.305 -4.003 2.946 1.00 0.00 N ATOM 918 CA ARG A 65 -5.317 -2.955 2.950 1.00 0.00 C ATOM 919 C ARG A 65 -4.665 -1.600 2.764 1.00 0.00 C ATOM 920 O ARG A 65 -3.855 -1.175 3.586 1.00 0.00 O ATOM 921 CB ARG A 65 -6.135 -3.040 4.239 1.00 0.00 C ATOM 922 CG ARG A 65 -7.227 -1.962 4.235 1.00 0.00 C ATOM 923 CD ARG A 65 -8.318 -2.244 5.264 1.00 0.00 C ATOM 924 NE ARG A 65 -9.065 -3.465 4.929 1.00 0.00 N ATOM 925 CZ ARG A 65 -9.172 -4.570 5.667 1.00 0.00 C ATOM 926 NH1 ARG A 65 -8.485 -4.695 6.795 1.00 0.00 N ATOM 927 NH2 ARG A 65 -9.965 -5.550 5.262 1.00 0.00 N ATOM 0 H ARG A 65 -3.551 -3.844 3.615 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.004 -3.094 2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.587 -4.028 4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.484 -2.907 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.777 -0.991 4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.673 -1.902 3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.870 -2.349 6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.003 -1.398 5.312 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.555 -3.467 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.869 -3.942 7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.572 -5.544 7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.488 -5.456 4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.053 -6.399 5.821 1.00 0.00 H new ATOM 941 N VAL A 66 -5.003 -0.922 1.678 1.00 0.00 N ATOM 942 CA VAL A 66 -4.572 0.437 1.405 1.00 0.00 C ATOM 943 C VAL A 66 -5.624 1.395 1.976 1.00 0.00 C ATOM 944 O VAL A 66 -6.832 1.204 1.807 1.00 0.00 O ATOM 945 CB VAL A 66 -4.390 0.615 -0.118 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.916 2.029 -0.482 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.366 -0.389 -0.682 1.00 0.00 C ATOM 0 H VAL A 66 -5.598 -1.312 0.947 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.614 0.654 1.877 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.372 0.438 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.802 2.107 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.651 2.758 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.958 2.227 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.261 -0.237 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.401 -0.236 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.710 -1.406 -0.491 1.00 0.00 H new ATOM 957 N TYR A 67 -5.160 2.450 2.632 1.00 0.00 N ATOM 958 CA TYR A 67 -5.946 3.562 3.142 1.00 0.00 C ATOM 959 C TYR A 67 -5.303 4.771 2.475 1.00 0.00 C ATOM 960 O TYR A 67 -4.095 4.961 2.621 1.00 0.00 O ATOM 961 CB TYR A 67 -5.836 3.678 4.670 1.00 0.00 C ATOM 962 CG TYR A 67 -6.548 2.664 5.554 1.00 0.00 C ATOM 963 CD1 TYR A 67 -7.710 1.980 5.145 1.00 0.00 C ATOM 964 CD2 TYR A 67 -6.082 2.491 6.869 1.00 0.00 C ATOM 965 CE1 TYR A 67 -8.407 1.148 6.044 1.00 0.00 C ATOM 966 CE2 TYR A 67 -6.754 1.641 7.761 1.00 0.00 C ATOM 967 CZ TYR A 67 -7.918 0.956 7.357 1.00 0.00 C ATOM 968 OH TYR A 67 -8.561 0.163 8.261 1.00 0.00 O ATOM 0 H TYR A 67 -4.166 2.557 2.834 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.010 3.454 2.930 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.777 3.645 4.924 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.200 4.667 4.949 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.070 2.094 4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.198 3.018 7.196 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.316 0.656 5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.377 1.511 8.764 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.064 0.161 9.106 1.00 0.00 H new ATOM 978 N SER A 68 -6.047 5.550 1.688 1.00 0.00 N ATOM 979 CA SER A 68 -5.464 6.751 1.105 1.00 0.00 C ATOM 980 C SER A 68 -5.090 7.729 2.219 1.00 0.00 C ATOM 981 O SER A 68 -5.553 7.636 3.364 1.00 0.00 O ATOM 982 CB SER A 68 -6.399 7.404 0.089 1.00 0.00 C ATOM 983 OG SER A 68 -7.521 7.933 0.755 1.00 0.00 O ATOM 0 H SER A 68 -7.023 5.377 1.447 1.00 0.00 H new ATOM 0 HA SER A 68 -4.563 6.466 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.875 8.195 -0.447 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.716 6.671 -0.653 1.00 0.00 H new ATOM 0 HG SER A 68 -7.972 7.220 1.254 1.00 0.00 H new ATOM 989 N LEU A 69 -4.231 8.673 1.873 1.00 0.00 N ATOM 990 CA LEU A 69 -3.814 9.760 2.726 1.00 0.00 C ATOM 991 C LEU A 69 -3.824 11.012 1.840 1.00 0.00 C ATOM 992 O LEU A 69 -3.507 10.888 0.653 1.00 0.00 O ATOM 993 CB LEU A 69 -2.463 9.329 3.317 1.00 0.00 C ATOM 994 CG LEU A 69 -2.011 10.121 4.547 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.185 9.185 5.423 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.208 11.378 4.202 1.00 0.00 C ATOM 0 H LEU A 69 -3.791 8.699 0.953 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.450 9.997 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.521 8.274 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.700 9.421 2.544 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.898 10.478 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.847 9.721 6.310 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.796 8.334 5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.320 8.830 4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.921 11.890 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.312 11.097 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.818 12.044 3.592 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.206 12.196 2.348 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.261 13.405 1.536 1.00 0.00 C ATOM 1010 C PRO A 70 -2.872 13.836 1.043 1.00 0.00 C ATOM 1011 O PRO A 70 -1.853 13.167 1.256 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.939 14.462 2.424 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.661 13.980 3.843 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.699 12.464 3.691 1.00 0.00 C ATOM 0 HA PRO A 70 -4.827 13.249 0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.524 15.455 2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.009 14.524 2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.694 14.327 4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.413 14.336 4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.076 11.978 4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.711 12.082 3.821 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.831 14.969 0.339 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.571 15.559 -0.070 1.00 0.00 C ATOM 1024 C GLY A 71 -0.699 15.784 1.163 1.00 0.00 C ATOM 1025 O GLY A 71 -1.192 16.259 2.190 1.00 0.00 O ATOM 0 H GLY A 71 -3.658 15.489 0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.061 14.904 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.748 16.504 -0.583 1.00 0.00 H new ATOM 1029 N ARG A 72 0.583 15.443 1.062 1.00 0.00 N ATOM 1030 CA ARG A 72 1.601 15.684 2.080 1.00 0.00 C ATOM 1031 C ARG A 72 2.818 16.311 1.418 1.00 0.00 C ATOM 1032 O ARG A 72 2.853 16.501 0.202 1.00 0.00 O ATOM 1033 CB ARG A 72 1.885 14.445 2.952 1.00 0.00 C ATOM 1034 CG ARG A 72 0.838 14.285 4.068 1.00 0.00 C ATOM 1035 CD ARG A 72 1.413 13.562 5.299 1.00 0.00 C ATOM 1036 NE ARG A 72 2.330 14.425 6.072 1.00 0.00 N ATOM 1037 CZ ARG A 72 2.186 14.841 7.337 1.00 0.00 C ATOM 1038 NH1 ARG A 72 1.306 14.283 8.153 1.00 0.00 N ATOM 1039 NH2 ARG A 72 2.930 15.844 7.779 1.00 0.00 N ATOM 0 H ARG A 72 0.955 14.973 0.237 1.00 0.00 H new ATOM 0 HA ARG A 72 1.231 16.402 2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.890 13.552 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.878 14.530 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.470 15.268 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.017 13.727 3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.596 13.235 5.942 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.944 12.666 4.978 1.00 0.00 H new ATOM 0 HE ARG A 72 3.170 14.740 5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.718 13.518 7.823 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.216 14.618 9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.604 16.291 7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.829 16.169 8.741 1.00 0.00 H new ATOM 1053 N GLU A 73 3.717 16.833 2.235 1.00 0.00 N ATOM 1054 CA GLU A 73 4.894 17.591 1.850 1.00 0.00 C ATOM 1055 C GLU A 73 5.987 17.306 2.880 1.00 0.00 C ATOM 1056 O GLU A 73 5.705 16.684 3.910 1.00 0.00 O ATOM 1057 CB GLU A 73 4.527 19.092 1.806 1.00 0.00 C ATOM 1058 CG GLU A 73 3.887 19.599 3.114 1.00 0.00 C ATOM 1059 CD GLU A 73 3.602 21.100 3.103 1.00 0.00 C ATOM 1060 OE1 GLU A 73 4.553 21.907 3.235 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.416 21.497 3.040 1.00 0.00 O ATOM 0 H GLU A 73 3.639 16.732 3.247 1.00 0.00 H new ATOM 0 HA GLU A 73 5.255 17.306 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.426 19.673 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.838 19.267 0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.955 19.060 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.549 19.368 3.948 1.00 0.00 H new ATOM 1068 N ASN A 74 7.207 17.784 2.625 1.00 0.00 N ATOM 1069 CA ASN A 74 8.362 17.745 3.529 1.00 0.00 C ATOM 1070 C ASN A 74 8.521 16.358 4.171 1.00 0.00 C ATOM 1071 O ASN A 74 8.429 16.191 5.387 1.00 0.00 O ATOM 1072 CB ASN A 74 8.277 18.896 4.557 1.00 0.00 C ATOM 1073 CG ASN A 74 7.763 20.205 3.958 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.195 20.650 2.897 1.00 0.00 O ATOM 1075 ND2 ASN A 74 6.761 20.801 4.579 1.00 0.00 N ATOM 0 H ASN A 74 7.429 18.232 1.736 1.00 0.00 H new ATOM 0 HA ASN A 74 9.273 17.907 2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.621 18.596 5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.265 19.064 4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.339 21.638 4.178 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.410 20.424 5.459 1.00 0.00 H new ATOM 1082 N TYR A 75 8.625 15.344 3.312 1.00 0.00 N ATOM 1083 CA TYR A 75 8.701 13.936 3.682 1.00 0.00 C ATOM 1084 C TYR A 75 10.112 13.565 4.173 1.00 0.00 C ATOM 1085 O TYR A 75 11.013 14.402 4.197 1.00 0.00 O ATOM 1086 CB TYR A 75 8.303 13.093 2.463 1.00 0.00 C ATOM 1087 CG TYR A 75 6.917 13.338 1.898 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.711 14.357 0.950 1.00 0.00 C ATOM 1089 CD2 TYR A 75 5.861 12.469 2.224 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.485 14.459 0.275 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.627 12.574 1.563 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.450 13.540 0.554 1.00 0.00 C ATOM 1093 OH TYR A 75 3.305 13.578 -0.175 1.00 0.00 O ATOM 0 H TYR A 75 8.660 15.489 2.303 1.00 0.00 H new ATOM 0 HA TYR A 75 8.017 13.737 4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.031 13.271 1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.380 12.040 2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.500 15.064 0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.000 11.717 2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.333 15.239 -0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.814 11.914 1.828 1.00 0.00 H new ATOM 0 HH TYR A 75 2.693 12.880 0.140 1.00 0.00 H new ATOM 1103 N SER A 76 10.312 12.285 4.491 1.00 0.00 N ATOM 1104 CA SER A 76 11.532 11.710 5.045 1.00 0.00 C ATOM 1105 C SER A 76 11.958 10.524 4.175 1.00 0.00 C ATOM 1106 O SER A 76 11.169 10.064 3.343 1.00 0.00 O ATOM 1107 CB SER A 76 11.253 11.239 6.481 1.00 0.00 C ATOM 1108 OG SER A 76 10.653 12.258 7.260 1.00 0.00 O ATOM 0 H SER A 76 9.583 11.584 4.360 1.00 0.00 H new ATOM 0 HA SER A 76 12.331 12.451 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.600 10.367 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.186 10.925 6.949 1.00 0.00 H new ATOM 0 HG SER A 76 10.488 11.923 8.166 1.00 0.00 H new ATOM 1114 N SER A 77 13.163 9.999 4.403 1.00 0.00 N ATOM 1115 CA SER A 77 13.675 8.802 3.750 1.00 0.00 C ATOM 1116 C SER A 77 14.052 7.791 4.837 1.00 0.00 C ATOM 1117 O SER A 77 14.636 8.196 5.844 1.00 0.00 O ATOM 1118 CB SER A 77 14.890 9.151 2.878 1.00 0.00 C ATOM 1119 OG SER A 77 14.638 10.244 2.001 1.00 0.00 O ATOM 0 H SER A 77 13.823 10.408 5.064 1.00 0.00 H new ATOM 0 HA SER A 77 12.916 8.371 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.736 9.393 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.175 8.277 2.292 1.00 0.00 H new ATOM 0 HG SER A 77 15.440 10.429 1.469 1.00 0.00 H new ATOM 1125 N VAL A 78 13.689 6.515 4.678 1.00 0.00 N ATOM 1126 CA VAL A 78 13.903 5.447 5.659 1.00 0.00 C ATOM 1127 C VAL A 78 14.009 4.128 4.882 1.00 0.00 C ATOM 1128 O VAL A 78 13.252 3.932 3.925 1.00 0.00 O ATOM 1129 CB VAL A 78 12.719 5.380 6.664 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.982 4.372 7.794 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.365 6.720 7.336 1.00 0.00 C ATOM 0 H VAL A 78 13.222 6.186 3.833 1.00 0.00 H new ATOM 0 HA VAL A 78 14.811 5.635 6.232 1.00 0.00 H new ATOM 0 HB VAL A 78 11.881 5.073 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.130 4.357 8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.125 3.378 7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.878 4.665 8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.528 6.575 8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.228 7.087 7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.088 7.448 6.573 1.00 0.00 H new ATOM 1141 N ASP A 79 14.872 3.200 5.296 1.00 0.00 N ATOM 1142 CA ASP A 79 14.948 1.863 4.697 1.00 0.00 C ATOM 1143 C ASP A 79 14.332 0.862 5.667 1.00 0.00 C ATOM 1144 O ASP A 79 14.404 1.068 6.882 1.00 0.00 O ATOM 1145 CB ASP A 79 16.392 1.420 4.430 1.00 0.00 C ATOM 1146 CG ASP A 79 16.406 0.316 3.363 1.00 0.00 C ATOM 1147 OD1 ASP A 79 16.059 -0.850 3.680 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.715 0.682 2.206 1.00 0.00 O ATOM 0 H ASP A 79 15.538 3.351 6.054 1.00 0.00 H new ATOM 0 HA ASP A 79 14.418 1.900 3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.987 2.270 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.847 1.055 5.351 1.00 0.00 H new ATOM 1153 N ALA A 80 13.680 -0.179 5.158 1.00 0.00 N ATOM 1154 CA ALA A 80 13.174 -1.275 5.961 1.00 0.00 C ATOM 1155 C ALA A 80 13.127 -2.493 5.048 1.00 0.00 C ATOM 1156 O ALA A 80 12.561 -2.425 3.961 1.00 0.00 O ATOM 1157 CB ALA A 80 11.790 -0.960 6.540 1.00 0.00 C ATOM 0 H ALA A 80 13.488 -0.281 4.161 1.00 0.00 H new ATOM 0 HA ALA A 80 13.821 -1.454 6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.444 -1.805 7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.853 -0.073 7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.088 -0.778 5.726 1.00 0.00 H new ATOM 1163 N ASN A 81 13.622 -3.632 5.535 1.00 0.00 N ATOM 1164 CA ASN A 81 13.713 -4.915 4.832 1.00 0.00 C ATOM 1165 C ASN A 81 14.530 -4.840 3.529 1.00 0.00 C ATOM 1166 O ASN A 81 14.363 -5.712 2.679 1.00 0.00 O ATOM 1167 CB ASN A 81 12.310 -5.512 4.584 1.00 0.00 C ATOM 1168 CG ASN A 81 11.472 -5.666 5.842 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.468 -6.716 6.482 1.00 0.00 O ATOM 1170 ND2 ASN A 81 10.752 -4.623 6.218 1.00 0.00 N ATOM 0 H ASN A 81 13.991 -3.688 6.484 1.00 0.00 H new ATOM 0 HA ASN A 81 14.263 -5.587 5.491 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.775 -4.875 3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.420 -6.488 4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.175 -4.677 7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.774 -3.764 5.669 1.00 0.00 H new ATOM 1177 N GLY A 82 15.444 -3.873 3.373 1.00 0.00 N ATOM 1178 CA GLY A 82 16.227 -3.725 2.148 1.00 0.00 C ATOM 1179 C GLY A 82 15.357 -3.152 1.035 1.00 0.00 C ATOM 1180 O GLY A 82 15.367 -3.646 -0.095 1.00 0.00 O ATOM 0 H GLY A 82 15.657 -3.178 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.078 -3.069 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.628 -4.692 1.845 1.00 0.00 H new ATOM 1184 N ILE A 83 14.561 -2.142 1.369 1.00 0.00 N ATOM 1185 CA ILE A 83 13.619 -1.457 0.504 1.00 0.00 C ATOM 1186 C ILE A 83 13.763 -0.006 0.941 1.00 0.00 C ATOM 1187 O ILE A 83 13.568 0.300 2.122 1.00 0.00 O ATOM 1188 CB ILE A 83 12.178 -1.982 0.711 1.00 0.00 C ATOM 1189 CG1 ILE A 83 12.086 -3.522 0.603 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.278 -1.281 -0.314 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.680 -4.099 0.795 1.00 0.00 C ATOM 0 H ILE A 83 14.560 -1.758 2.314 1.00 0.00 H new ATOM 0 HA ILE A 83 13.815 -1.605 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 83 11.847 -1.750 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.457 -3.826 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.749 -3.964 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.252 -1.629 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.316 -0.203 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.625 -1.512 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.716 -5.184 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.309 -3.832 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.013 -3.692 0.035 1.00 0.00 H new ATOM 1203 N GLN A 84 14.003 0.900 -0.001 1.00 0.00 N ATOM 1204 CA GLN A 84 14.294 2.281 0.325 1.00 0.00 C ATOM 1205 C GLN A 84 13.061 3.128 0.062 1.00 0.00 C ATOM 1206 O GLN A 84 12.452 3.050 -1.010 1.00 0.00 O ATOM 1207 CB GLN A 84 15.486 2.732 -0.537 1.00 0.00 C ATOM 1208 CG GLN A 84 15.946 4.180 -0.292 1.00 0.00 C ATOM 1209 CD GLN A 84 16.395 4.491 1.138 1.00 0.00 C ATOM 1210 OE1 GLN A 84 16.310 5.629 1.587 1.00 0.00 O ATOM 1211 NE2 GLN A 84 16.890 3.526 1.895 1.00 0.00 N ATOM 0 H GLN A 84 14.000 0.696 -1.000 1.00 0.00 H new ATOM 0 HA GLN A 84 14.555 2.394 1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.325 2.062 -0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.218 2.623 -1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 84 16.770 4.402 -0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.129 4.852 -0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.964 2.577 1.528 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.198 3.731 2.846 1.00 0.00 H new ATOM 1220 N SER A 85 12.682 3.922 1.066 1.00 0.00 N ATOM 1221 CA SER A 85 11.619 4.895 0.949 1.00 0.00 C ATOM 1222 C SER A 85 12.307 6.250 0.944 1.00 0.00 C ATOM 1223 O SER A 85 13.124 6.491 1.831 1.00 0.00 O ATOM 1224 CB SER A 85 10.547 4.720 2.032 1.00 0.00 C ATOM 1225 OG SER A 85 10.968 5.069 3.335 1.00 0.00 O ATOM 0 H SER A 85 13.116 3.899 1.989 1.00 0.00 H new ATOM 0 HA SER A 85 11.046 4.772 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.681 5.327 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.219 3.681 2.036 1.00 0.00 H new ATOM 0 HG SER A 85 11.918 4.852 3.441 1.00 0.00 H new ATOM 1231 N GLN A 86 12.023 7.111 -0.034 1.00 0.00 N ATOM 1232 CA GLN A 86 12.661 8.422 -0.139 1.00 0.00 C ATOM 1233 C GLN A 86 11.637 9.549 -0.022 1.00 0.00 C ATOM 1234 O GLN A 86 10.467 9.366 -0.359 1.00 0.00 O ATOM 1235 CB GLN A 86 13.484 8.520 -1.436 1.00 0.00 C ATOM 1236 CG GLN A 86 12.654 8.370 -2.721 1.00 0.00 C ATOM 1237 CD GLN A 86 13.484 8.681 -3.964 1.00 0.00 C ATOM 1238 OE1 GLN A 86 13.359 9.757 -4.550 1.00 0.00 O ATOM 1239 NE2 GLN A 86 14.347 7.780 -4.400 1.00 0.00 N ATOM 0 H GLN A 86 11.346 6.919 -0.773 1.00 0.00 H new ATOM 0 HA GLN A 86 13.350 8.537 0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.995 9.483 -1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.255 7.750 -1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 86 12.265 7.354 -2.787 1.00 0.00 H new ATOM 0 HG3 GLN A 86 11.794 9.039 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 86 14.446 6.891 -3.911 1.00 0.00 H new ATOM 0 HE22 GLN A 86 14.914 7.974 -5.226 1.00 0.00 H new ATOM 1248 N MET A 87 12.072 10.721 0.438 1.00 0.00 N ATOM 1249 CA MET A 87 11.242 11.918 0.481 1.00 0.00 C ATOM 1250 C MET A 87 10.784 12.321 -0.933 1.00 0.00 C ATOM 1251 O MET A 87 11.348 11.870 -1.935 1.00 0.00 O ATOM 1252 CB MET A 87 12.001 13.036 1.222 1.00 0.00 C ATOM 1253 CG MET A 87 13.257 13.543 0.500 1.00 0.00 C ATOM 1254 SD MET A 87 12.930 14.773 -0.788 1.00 0.00 S ATOM 1255 CE MET A 87 14.530 14.787 -1.638 1.00 0.00 C ATOM 0 H MET A 87 13.017 10.865 0.793 1.00 0.00 H new ATOM 0 HA MET A 87 10.327 11.720 1.040 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.324 13.876 1.377 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.287 12.671 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.935 13.976 1.236 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.773 12.693 0.052 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.497 15.498 -2.464 1.00 0.00 H new ATOM 0 HE2 MET A 87 15.312 15.081 -0.937 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.745 13.791 -2.025 1.00 0.00 H new ATOM 1265 N LEU A 88 9.776 13.195 -1.029 1.00 0.00 N ATOM 1266 CA LEU A 88 9.225 13.689 -2.290 1.00 0.00 C ATOM 1267 C LEU A 88 8.980 15.180 -2.198 1.00 0.00 C ATOM 1268 O LEU A 88 8.952 15.740 -1.100 1.00 0.00 O ATOM 1269 CB LEU A 88 7.845 13.110 -2.627 1.00 0.00 C ATOM 1270 CG LEU A 88 7.686 11.594 -2.466 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.028 11.289 -1.118 1.00 0.00 C ATOM 1272 CD2 LEU A 88 6.823 11.064 -3.610 1.00 0.00 C ATOM 0 H LEU A 88 9.311 13.586 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 88 9.958 13.400 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.105 13.601 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.607 13.371 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 88 8.662 11.109 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.915 10.211 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.652 11.676 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.047 11.763 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.703 9.986 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.844 11.543 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.305 11.285 -4.562 1.00 0.00 H new ATOM 1284 N SER A 89 8.630 15.772 -3.339 1.00 0.00 N ATOM 1285 CA SER A 89 8.231 17.151 -3.403 1.00 0.00 C ATOM 1286 C SER A 89 6.709 17.295 -3.440 1.00 0.00 C ATOM 1287 O SER A 89 6.092 17.175 -4.500 1.00 0.00 O ATOM 1288 CB SER A 89 8.948 17.878 -4.549 1.00 0.00 C ATOM 1289 OG SER A 89 8.672 17.298 -5.811 1.00 0.00 O ATOM 0 H SER A 89 8.620 15.295 -4.241 1.00 0.00 H new ATOM 0 HA SER A 89 8.548 17.646 -2.485 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.644 18.925 -4.559 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.023 17.860 -4.371 1.00 0.00 H new ATOM 0 HG SER A 89 7.727 17.040 -5.853 1.00 0.00 H new ATOM 1295 N ARG A 90 6.081 17.433 -2.268 1.00 0.00 N ATOM 1296 CA ARG A 90 4.647 17.739 -2.175 1.00 0.00 C ATOM 1297 C ARG A 90 3.700 16.805 -2.950 1.00 0.00 C ATOM 1298 O ARG A 90 3.049 17.247 -3.899 1.00 0.00 O ATOM 1299 CB ARG A 90 4.499 19.234 -2.532 1.00 0.00 C ATOM 1300 CG ARG A 90 3.130 19.880 -2.237 1.00 0.00 C ATOM 1301 CD ARG A 90 2.605 20.671 -3.449 1.00 0.00 C ATOM 1302 NE ARG A 90 2.308 19.751 -4.552 1.00 0.00 N ATOM 1303 CZ ARG A 90 2.516 19.902 -5.860 1.00 0.00 C ATOM 1304 NH1 ARG A 90 2.751 21.098 -6.383 1.00 0.00 N ATOM 1305 NH2 ARG A 90 2.480 18.814 -6.618 1.00 0.00 N ATOM 0 H ARG A 90 6.545 17.337 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 90 4.309 17.544 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.263 19.791 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.711 19.354 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.412 19.105 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.218 20.545 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.707 21.224 -3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.347 21.405 -3.765 1.00 0.00 H new ATOM 0 HE ARG A 90 1.880 18.867 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.775 21.922 -5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.908 21.194 -7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.298 17.904 -6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.634 18.888 -7.624 1.00 0.00 H new ATOM 1319 N TRP A 91 3.628 15.511 -2.645 1.00 0.00 N ATOM 1320 CA TRP A 91 2.822 14.628 -3.482 1.00 0.00 C ATOM 1321 C TRP A 91 1.375 14.742 -3.025 1.00 0.00 C ATOM 1322 O TRP A 91 1.028 14.518 -1.866 1.00 0.00 O ATOM 1323 CB TRP A 91 3.291 13.172 -3.409 1.00 0.00 C ATOM 1324 CG TRP A 91 3.402 12.556 -4.765 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.484 11.786 -5.389 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.503 12.703 -5.699 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.950 11.445 -6.644 1.00 0.00 N ATOM 1328 CE2 TRP A 91 4.232 11.917 -6.854 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.715 13.416 -5.657 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 5.170 11.781 -7.888 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.681 13.253 -6.663 1.00 0.00 C ATOM 1332 CH2 TRP A 91 6.414 12.428 -7.771 1.00 0.00 C ATOM 0 H TRP A 91 4.098 15.065 -1.857 1.00 0.00 H new ATOM 0 HA TRP A 91 2.926 14.934 -4.523 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.258 13.126 -2.909 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.592 12.595 -2.804 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.535 11.484 -4.972 1.00 0.00 H new ATOM 0 HE1 TRP A 91 2.415 10.912 -7.330 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.905 14.097 -4.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.941 11.188 -8.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.631 13.762 -6.586 1.00 0.00 H new ATOM 0 HH2 TRP A 91 7.166 12.291 -8.534 1.00 0.00 H new ATOM 1343 N SER A 92 0.516 15.132 -3.960 1.00 0.00 N ATOM 1344 CA SER A 92 -0.885 15.425 -3.718 1.00 0.00 C ATOM 1345 C SER A 92 -1.740 14.161 -3.899 1.00 0.00 C ATOM 1346 O SER A 92 -2.895 14.236 -4.320 1.00 0.00 O ATOM 1347 CB SER A 92 -1.282 16.520 -4.717 1.00 0.00 C ATOM 1348 OG SER A 92 -0.299 17.548 -4.776 1.00 0.00 O ATOM 0 H SER A 92 0.787 15.256 -4.936 1.00 0.00 H new ATOM 0 HA SER A 92 -1.049 15.765 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.413 16.082 -5.707 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.242 16.948 -4.428 1.00 0.00 H new ATOM 0 HG SER A 92 -0.578 18.231 -5.422 1.00 0.00 H new ATOM 1354 N ALA A 93 -1.188 12.993 -3.568 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.791 11.682 -3.730 1.00 0.00 C ATOM 1356 C ALA A 93 -0.941 10.738 -2.896 1.00 0.00 C ATOM 1357 O ALA A 93 0.174 10.395 -3.304 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.810 11.262 -5.208 1.00 0.00 C ATOM 0 H ALA A 93 -0.256 12.940 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.831 11.673 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.267 10.277 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.387 11.985 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.789 11.226 -5.589 1.00 0.00 H new ATOM 1364 N SER A 94 -1.432 10.359 -1.723 1.00 0.00 N ATOM 1365 CA SER A 94 -0.673 9.558 -0.783 1.00 0.00 C ATOM 1366 C SER A 94 -1.542 8.404 -0.285 1.00 0.00 C ATOM 1367 O SER A 94 -2.740 8.323 -0.583 1.00 0.00 O ATOM 1368 CB SER A 94 -0.181 10.451 0.368 1.00 0.00 C ATOM 1369 OG SER A 94 0.261 11.737 -0.033 1.00 0.00 O ATOM 0 H SER A 94 -2.369 10.601 -1.400 1.00 0.00 H new ATOM 0 HA SER A 94 0.204 9.129 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.988 10.567 1.091 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.636 9.944 0.881 1.00 0.00 H new ATOM 0 HG SER A 94 -0.343 12.418 0.330 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.936 7.483 0.455 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.610 6.392 1.124 1.00 0.00 C ATOM 1377 C PHE A 95 -0.761 5.911 2.286 1.00 0.00 C ATOM 1378 O PHE A 95 0.339 6.398 2.522 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.932 5.250 0.128 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.766 4.430 -0.418 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -0.107 4.825 -1.598 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.399 3.214 0.197 1.00 0.00 C ATOM 1383 CE1 PHE A 95 0.898 4.015 -2.161 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.601 2.401 -0.369 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.246 2.797 -1.553 1.00 0.00 C ATOM 0 H PHE A 95 0.073 7.481 0.607 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.563 6.742 1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.623 4.564 0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.461 5.685 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.374 5.756 -2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.889 2.905 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.402 4.331 -3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.873 1.471 0.108 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.006 2.168 -1.994 1.00 0.00 H new ATOM 1395 N THR A 96 -1.303 4.985 3.053 1.00 0.00 N ATOM 1396 CA THR A 96 -0.656 4.274 4.126 1.00 0.00 C ATOM 1397 C THR A 96 -1.205 2.856 3.949 1.00 0.00 C ATOM 1398 O THR A 96 -2.349 2.669 3.514 1.00 0.00 O ATOM 1399 CB THR A 96 -0.924 4.939 5.491 1.00 0.00 C ATOM 1400 OG1 THR A 96 -0.015 4.455 6.461 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.353 4.725 5.988 1.00 0.00 C ATOM 0 H THR A 96 -2.273 4.694 2.930 1.00 0.00 H new ATOM 0 HA THR A 96 0.434 4.276 4.098 1.00 0.00 H new ATOM 0 HB THR A 96 -0.785 6.010 5.344 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.889 4.765 6.245 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.480 5.216 6.953 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.055 5.148 5.270 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.544 3.657 6.097 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.371 1.849 4.172 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.782 0.468 3.999 1.00 0.00 C ATOM 1411 C VAL A 97 -0.954 -0.168 5.380 1.00 0.00 C ATOM 1412 O VAL A 97 -0.298 0.248 6.339 1.00 0.00 O ATOM 1413 CB VAL A 97 0.142 -0.182 2.961 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.570 -0.438 3.424 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.452 -1.470 2.434 1.00 0.00 C ATOM 0 H VAL A 97 0.596 1.966 4.474 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.769 0.325 3.558 1.00 0.00 H new ATOM 0 HB VAL A 97 0.214 0.564 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.137 -0.899 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.037 0.507 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.559 -1.105 4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.224 -1.909 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.596 -2.168 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.413 -1.262 1.963 1.00 0.00 H new ATOM 1425 N THR A 98 -1.869 -1.124 5.490 1.00 0.00 N ATOM 1426 CA THR A 98 -2.303 -1.780 6.714 1.00 0.00 C ATOM 1427 C THR A 98 -2.658 -3.246 6.410 1.00 0.00 C ATOM 1428 O THR A 98 -2.607 -3.667 5.249 1.00 0.00 O ATOM 1429 CB THR A 98 -3.501 -0.994 7.294 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.519 -0.765 6.336 1.00 0.00 O ATOM 1431 CG2 THR A 98 -3.101 0.367 7.874 1.00 0.00 C ATOM 0 H THR A 98 -2.359 -1.484 4.671 1.00 0.00 H new ATOM 0 HA THR A 98 -1.508 -1.787 7.460 1.00 0.00 H new ATOM 0 HB THR A 98 -3.877 -1.635 8.091 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.193 -1.014 5.446 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.985 0.870 8.265 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.380 0.222 8.679 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.652 0.979 7.091 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.981 -4.028 7.442 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.336 -5.440 7.336 1.00 0.00 C ATOM 1441 C LEU A 99 -4.801 -5.627 6.928 1.00 0.00 C ATOM 1442 O LEU A 99 -5.613 -4.699 7.010 1.00 0.00 O ATOM 1443 CB LEU A 99 -3.139 -6.133 8.694 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.713 -6.135 9.266 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.688 -7.048 10.488 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -0.668 -6.618 8.259 1.00 0.00 C ATOM 0 H LEU A 99 -3.003 -3.684 8.402 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.690 -5.876 6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.796 -5.653 9.419 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.469 -7.167 8.600 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.456 -5.108 9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.683 -7.064 10.910 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.389 -6.676 11.235 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.974 -8.058 10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.319 -6.597 8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.903 -7.637 7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.674 -5.965 7.387 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.132 -6.853 6.514 1.00 0.00 N ATOM 1459 CA GLU A 100 -6.489 -7.290 6.212 1.00 0.00 C ATOM 1460 C GLU A 100 -7.165 -7.600 7.544 1.00 0.00 C ATOM 1461 O GLU A 100 -6.505 -8.166 8.439 1.00 0.00 O ATOM 1462 CB GLU A 100 -6.473 -8.522 5.291 1.00 0.00 C ATOM 1463 CG GLU A 100 -7.898 -9.003 4.952 1.00 0.00 C ATOM 1464 CD GLU A 100 -7.933 -10.255 4.063 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -7.411 -11.324 4.469 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -8.566 -10.228 2.981 1.00 0.00 O ATOM 1467 OXT GLU A 100 -8.355 -7.260 7.710 1.00 0.00 O ATOM 0 H GLU A 100 -4.438 -7.588 6.377 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.039 -6.513 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -5.942 -8.280 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.922 -9.329 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.431 -9.212 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.434 -8.197 4.450 1.00 0.00 H new