USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 864 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 73 HIS : no HD1:sc=-5.24e-06 K(o=-5.2e-06,f=-1.4!) USER MOD Set 1.2: A 81 SER OG : rot -158:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0898 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.1 USER MOD Single : A 19 ASN : amide:sc= -0.689 K(o=-0.69,f=-2.5!) USER MOD Single : A 21 THR OG1 : rot -83:sc= 0.14 USER MOD Single : A 22 GLN : amide:sc= -4.3! C(o=-4.3!,f=-4.4!) USER MOD Single : A 23 ASN : amide:sc= -0.347 K(o=-0.35,f=-7.7!) USER MOD Single : A 24 GLN : amide:sc= -0.821 K(o=-0.82,f=-3!) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.0417 (180deg=-0.448) USER MOD Single : A 30 ASN : amide:sc= -0.0027 X(o=-0.0027,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.345 USER MOD Single : A 33 MET CE :methyl -166:sc= -0.51 (180deg=-1.08) USER MOD Single : A 36 SER OG : rot 180:sc= -0.44 USER MOD Single : A 38 ASN : amide:sc= -0.0703 K(o=-0.07,f=-1.7!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.282 USER MOD Single : A 43 MET CE :methyl 162:sc= -0.214 (180deg=-1.3) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -60:sc= 0.653 USER MOD Single : A 53 ASN : amide:sc= 0.67 K(o=0.67,f=-0.31) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.5!) USER MOD Single : A 66 MET CE :methyl -166:sc= -1.02 (180deg=-1.61) USER MOD Single : A 68 SER OG : rot 77:sc= 0.226 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.44) USER MOD Single : A 82 SER OG : rot -37:sc= 0.331 USER MOD Single : A 84 HIS : no HD1:sc= -4.26! C(o=-4.3!,f=-5.7!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -117:sc= 1.73 (180deg=-1.05) USER MOD Single : A 94 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.6) USER MOD Single : A 104 LYS NZ :NH3+ -105:sc= -0.98 (180deg=-2.38!) USER MOD Single : A 105 LYS NZ :NH3+ -154:sc= -0.195 (180deg=-1.32!) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.0118 F(o=-0.87,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 17.747 5.482 4.573 1.00 0.00 N ATOM 58 CA PRO A 5 17.537 6.112 3.237 1.00 0.00 C ATOM 59 C PRO A 5 16.268 5.575 2.535 1.00 0.00 C ATOM 60 O PRO A 5 15.726 4.563 2.928 1.00 0.00 O ATOM 61 CB PRO A 5 18.821 5.725 2.467 1.00 0.00 C ATOM 62 CG PRO A 5 19.698 4.847 3.384 1.00 0.00 C ATOM 63 CD PRO A 5 19.060 4.807 4.785 1.00 0.00 C ATOM 0 HA PRO A 5 17.378 7.189 3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.567 5.184 1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.366 6.620 2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.780 3.839 2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.709 5.251 3.440 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.936 3.785 5.143 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.669 5.331 5.521 1.00 0.00 H new ATOM 71 N PRO A 6 15.796 6.251 1.505 1.00 0.00 N ATOM 72 CA PRO A 6 14.571 5.802 0.769 1.00 0.00 C ATOM 73 C PRO A 6 14.757 4.454 0.052 1.00 0.00 C ATOM 74 O PRO A 6 13.928 3.570 0.145 1.00 0.00 O ATOM 75 CB PRO A 6 14.364 6.941 -0.250 1.00 0.00 C ATOM 76 CG PRO A 6 15.636 7.806 -0.269 1.00 0.00 C ATOM 77 CD PRO A 6 16.439 7.502 1.006 1.00 0.00 C ATOM 0 HA PRO A 6 13.726 5.632 1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.167 6.533 -1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.498 7.544 0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.232 7.587 -1.155 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.376 8.864 -0.312 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.498 7.356 0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.368 8.312 1.732 1.00 0.00 H new ATOM 85 N SER A 7 15.825 4.302 -0.678 1.00 0.00 N ATOM 86 CA SER A 7 16.047 3.025 -1.413 1.00 0.00 C ATOM 87 C SER A 7 16.114 1.863 -0.420 1.00 0.00 C ATOM 88 O SER A 7 15.598 0.792 -0.671 1.00 0.00 O ATOM 89 CB SER A 7 17.360 3.106 -2.197 1.00 0.00 C ATOM 90 OG SER A 7 18.451 3.149 -1.286 1.00 0.00 O ATOM 0 H SER A 7 16.554 5.005 -0.798 1.00 0.00 H new ATOM 0 HA SER A 7 15.221 2.860 -2.105 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.456 2.244 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.365 3.994 -2.830 1.00 0.00 H new ATOM 0 HG SER A 7 19.293 3.199 -1.786 1.00 0.00 H new ATOM 96 N THR A 8 16.747 2.060 0.704 1.00 0.00 N ATOM 97 CA THR A 8 16.846 0.953 1.703 1.00 0.00 C ATOM 98 C THR A 8 15.467 0.687 2.317 1.00 0.00 C ATOM 99 O THR A 8 15.056 -0.445 2.472 1.00 0.00 O ATOM 100 CB THR A 8 17.835 1.347 2.808 1.00 0.00 C ATOM 101 OG1 THR A 8 19.112 1.585 2.232 1.00 0.00 O ATOM 102 CG2 THR A 8 17.952 0.212 3.831 1.00 0.00 C ATOM 0 H THR A 8 17.198 2.934 0.975 1.00 0.00 H new ATOM 0 HA THR A 8 17.199 0.049 1.207 1.00 0.00 H new ATOM 0 HB THR A 8 17.476 2.248 3.305 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.801 1.523 2.926 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.656 0.498 4.613 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.975 0.020 4.275 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.309 -0.690 3.334 1.00 0.00 H new ATOM 110 N ALA A 9 14.750 1.718 2.663 1.00 0.00 N ATOM 111 CA ALA A 9 13.401 1.519 3.261 1.00 0.00 C ATOM 112 C ALA A 9 12.508 0.781 2.262 1.00 0.00 C ATOM 113 O ALA A 9 11.773 -0.119 2.617 1.00 0.00 O ATOM 114 CB ALA A 9 12.789 2.883 3.585 1.00 0.00 C ATOM 0 H ALA A 9 15.039 2.690 2.558 1.00 0.00 H new ATOM 0 HA ALA A 9 13.485 0.931 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.801 2.744 4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.429 3.410 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.701 3.469 2.670 1.00 0.00 H new ATOM 120 N LEU A 10 12.568 1.157 1.014 1.00 0.00 N ATOM 121 CA LEU A 10 11.726 0.482 -0.012 1.00 0.00 C ATOM 122 C LEU A 10 12.080 -1.007 -0.070 1.00 0.00 C ATOM 123 O LEU A 10 11.216 -1.859 -0.062 1.00 0.00 O ATOM 124 CB LEU A 10 11.981 1.128 -1.380 1.00 0.00 C ATOM 125 CG LEU A 10 11.124 0.449 -2.462 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.636 0.749 -2.235 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.547 0.973 -3.833 1.00 0.00 C ATOM 0 H LEU A 10 13.165 1.904 0.661 1.00 0.00 H new ATOM 0 HA LEU A 10 10.674 0.589 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.747 2.192 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.037 1.044 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 10 11.273 -0.630 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.044 0.261 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.334 0.374 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.471 1.826 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.944 0.497 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.400 2.052 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.599 0.744 -4.001 1.00 0.00 H new ATOM 139 N ARG A 11 13.342 -1.327 -0.141 1.00 0.00 N ATOM 140 CA ARG A 11 13.737 -2.760 -0.215 1.00 0.00 C ATOM 141 C ARG A 11 13.232 -3.483 1.030 1.00 0.00 C ATOM 142 O ARG A 11 12.710 -4.577 0.957 1.00 0.00 O ATOM 143 CB ARG A 11 15.262 -2.862 -0.279 1.00 0.00 C ATOM 144 CG ARG A 11 15.751 -2.350 -1.636 1.00 0.00 C ATOM 145 CD ARG A 11 17.276 -2.207 -1.645 1.00 0.00 C ATOM 146 NE ARG A 11 17.916 -3.572 -1.605 1.00 0.00 N ATOM 147 CZ ARG A 11 18.070 -4.238 -0.499 1.00 0.00 C ATOM 148 NH1 ARG A 11 17.769 -3.685 0.644 1.00 0.00 N ATOM 149 NH2 ARG A 11 18.560 -5.448 -0.527 1.00 0.00 N ATOM 0 H ARG A 11 14.114 -0.660 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 11 13.304 -3.216 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.710 -2.278 0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.574 -3.896 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.441 -3.038 -2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.289 -1.387 -1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.595 -1.671 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.600 -1.618 -0.787 1.00 0.00 H new ATOM 0 HE ARG A 11 18.240 -3.988 -2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.413 -2.730 0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.890 -4.208 1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.822 -5.872 -1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.680 -5.970 0.341 1.00 0.00 H new ATOM 163 N GLU A 12 13.374 -2.875 2.171 1.00 0.00 N ATOM 164 CA GLU A 12 12.892 -3.520 3.418 1.00 0.00 C ATOM 165 C GLU A 12 11.371 -3.671 3.355 1.00 0.00 C ATOM 166 O GLU A 12 10.819 -4.677 3.756 1.00 0.00 O ATOM 167 CB GLU A 12 13.289 -2.646 4.611 1.00 0.00 C ATOM 168 CG GLU A 12 14.806 -2.713 4.802 1.00 0.00 C ATOM 169 CD GLU A 12 15.219 -1.816 5.971 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.344 -1.206 6.564 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.404 -1.757 6.255 1.00 0.00 O ATOM 0 H GLU A 12 13.804 -1.958 2.293 1.00 0.00 H new ATOM 0 HA GLU A 12 13.339 -4.508 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.977 -1.615 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.782 -2.989 5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.113 -3.741 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.311 -2.394 3.890 1.00 0.00 H new ATOM 178 N LEU A 13 10.688 -2.683 2.845 1.00 0.00 N ATOM 179 CA LEU A 13 9.204 -2.770 2.754 1.00 0.00 C ATOM 180 C LEU A 13 8.796 -3.807 1.697 1.00 0.00 C ATOM 181 O LEU A 13 7.931 -4.624 1.929 1.00 0.00 O ATOM 182 CB LEU A 13 8.654 -1.387 2.382 1.00 0.00 C ATOM 183 CG LEU A 13 7.125 -1.425 2.261 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.494 -1.858 3.595 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.628 -0.023 1.894 1.00 0.00 C ATOM 0 H LEU A 13 11.094 -1.819 2.487 1.00 0.00 H new ATOM 0 HA LEU A 13 8.793 -3.084 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.946 -0.659 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.090 -1.059 1.439 1.00 0.00 H new ATOM 0 HG LEU A 13 6.840 -2.142 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.409 -1.880 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.854 -2.851 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.771 -1.149 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.542 -0.034 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.921 0.682 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.067 0.282 0.944 1.00 0.00 H new ATOM 197 N ILE A 14 9.409 -3.794 0.544 1.00 0.00 N ATOM 198 CA ILE A 14 9.038 -4.796 -0.501 1.00 0.00 C ATOM 199 C ILE A 14 9.280 -6.217 0.024 1.00 0.00 C ATOM 200 O ILE A 14 8.457 -7.095 -0.139 1.00 0.00 O ATOM 201 CB ILE A 14 9.872 -4.560 -1.769 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.418 -3.258 -2.435 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.685 -5.728 -2.744 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.394 -2.880 -3.553 1.00 0.00 C ATOM 0 H ILE A 14 10.145 -3.139 0.280 1.00 0.00 H new ATOM 0 HA ILE A 14 7.981 -4.682 -0.741 1.00 0.00 H new ATOM 0 HB ILE A 14 10.926 -4.488 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.414 -3.378 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.370 -2.458 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.280 -5.553 -3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.009 -6.654 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.633 -5.809 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.067 -1.953 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.391 -2.742 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.420 -3.676 -4.298 1.00 0.00 H new ATOM 216 N GLU A 15 10.405 -6.456 0.640 1.00 0.00 N ATOM 217 CA GLU A 15 10.691 -7.828 1.149 1.00 0.00 C ATOM 218 C GLU A 15 9.625 -8.241 2.166 1.00 0.00 C ATOM 219 O GLU A 15 9.170 -9.368 2.173 1.00 0.00 O ATOM 220 CB GLU A 15 12.066 -7.845 1.818 1.00 0.00 C ATOM 221 CG GLU A 15 13.154 -7.692 0.753 1.00 0.00 C ATOM 222 CD GLU A 15 14.522 -7.612 1.432 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.577 -7.809 2.635 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.491 -7.347 0.740 1.00 0.00 O ATOM 0 H GLU A 15 11.135 -5.765 0.813 1.00 0.00 H new ATOM 0 HA GLU A 15 10.679 -8.529 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.138 -7.037 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.205 -8.778 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.126 -8.537 0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.976 -6.794 0.162 1.00 0.00 H new ATOM 231 N GLU A 16 9.219 -7.348 3.025 1.00 0.00 N ATOM 232 CA GLU A 16 8.183 -7.713 4.029 1.00 0.00 C ATOM 233 C GLU A 16 6.834 -7.903 3.331 1.00 0.00 C ATOM 234 O GLU A 16 6.095 -8.817 3.635 1.00 0.00 O ATOM 235 CB GLU A 16 8.073 -6.603 5.072 1.00 0.00 C ATOM 236 CG GLU A 16 7.139 -7.048 6.198 1.00 0.00 C ATOM 237 CD GLU A 16 7.041 -5.937 7.243 1.00 0.00 C ATOM 238 OE1 GLU A 16 7.803 -4.992 7.142 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.205 -6.050 8.125 1.00 0.00 O ATOM 0 H GLU A 16 9.558 -6.387 3.075 1.00 0.00 H new ATOM 0 HA GLU A 16 8.465 -8.644 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.059 -6.369 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.693 -5.692 4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.151 -7.275 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.514 -7.963 6.657 1.00 0.00 H new ATOM 246 N LEU A 17 6.507 -7.052 2.390 1.00 0.00 N ATOM 247 CA LEU A 17 5.207 -7.203 1.675 1.00 0.00 C ATOM 248 C LEU A 17 5.204 -8.534 0.922 1.00 0.00 C ATOM 249 O LEU A 17 4.225 -9.247 0.900 1.00 0.00 O ATOM 250 CB LEU A 17 5.025 -6.060 0.671 1.00 0.00 C ATOM 251 CG LEU A 17 4.811 -4.728 1.402 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.862 -3.593 0.376 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.446 -4.714 2.121 1.00 0.00 C ATOM 0 H LEU A 17 7.082 -6.265 2.089 1.00 0.00 H new ATOM 0 HA LEU A 17 4.393 -7.178 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.902 -5.991 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.172 -6.268 0.026 1.00 0.00 H new ATOM 0 HG LEU A 17 5.593 -4.599 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.711 -2.639 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.834 -3.593 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.077 -3.738 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.314 -3.761 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.648 -4.847 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.410 -5.525 2.849 1.00 0.00 H new ATOM 265 N VAL A 18 6.298 -8.868 0.298 1.00 0.00 N ATOM 266 CA VAL A 18 6.361 -10.149 -0.460 1.00 0.00 C ATOM 267 C VAL A 18 6.297 -11.327 0.518 1.00 0.00 C ATOM 268 O VAL A 18 5.656 -12.325 0.265 1.00 0.00 O ATOM 269 CB VAL A 18 7.679 -10.202 -1.246 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.881 -11.602 -1.836 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.635 -9.177 -2.379 1.00 0.00 C ATOM 0 H VAL A 18 7.152 -8.310 0.280 1.00 0.00 H new ATOM 0 HA VAL A 18 5.520 -10.211 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 18 8.506 -9.974 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.818 -11.631 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.914 -12.335 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.054 -11.837 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.570 -9.213 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.804 -9.407 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.500 -8.179 -1.962 1.00 0.00 H new ATOM 281 N ASN A 19 6.971 -11.220 1.627 1.00 0.00 N ATOM 282 CA ASN A 19 6.976 -12.337 2.615 1.00 0.00 C ATOM 283 C ASN A 19 5.559 -12.651 3.118 1.00 0.00 C ATOM 284 O ASN A 19 5.211 -13.796 3.329 1.00 0.00 O ATOM 285 CB ASN A 19 7.844 -11.939 3.814 1.00 0.00 C ATOM 286 CG ASN A 19 9.320 -11.934 3.413 1.00 0.00 C ATOM 287 OD1 ASN A 19 9.696 -12.533 2.425 1.00 0.00 O ATOM 288 ND2 ASN A 19 10.182 -11.292 4.156 1.00 0.00 N ATOM 0 H ASN A 19 7.522 -10.404 1.895 1.00 0.00 H new ATOM 0 HA ASN A 19 7.373 -13.224 2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.553 -10.952 4.172 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.684 -12.636 4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.171 -11.294 3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.866 -10.789 4.985 1.00 0.00 H new ATOM 295 N ILE A 20 4.758 -11.650 3.356 1.00 0.00 N ATOM 296 CA ILE A 20 3.386 -11.897 3.898 1.00 0.00 C ATOM 297 C ILE A 20 2.388 -12.330 2.811 1.00 0.00 C ATOM 298 O ILE A 20 1.354 -12.882 3.123 1.00 0.00 O ATOM 299 CB ILE A 20 2.889 -10.624 4.588 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.840 -9.474 3.582 1.00 0.00 C ATOM 301 CG2 ILE A 20 3.853 -10.262 5.720 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.291 -8.216 4.261 1.00 0.00 C ATOM 0 H ILE A 20 4.991 -10.669 3.199 1.00 0.00 H new ATOM 0 HA ILE A 20 3.451 -12.720 4.610 1.00 0.00 H new ATOM 0 HB ILE A 20 1.889 -10.794 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.838 -9.280 3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.210 -9.746 2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.507 -9.356 6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.892 -11.079 6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.849 -10.093 5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.258 -7.399 3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.286 -8.413 4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.938 -7.940 5.093 1.00 0.00 H new ATOM 314 N THR A 21 2.658 -12.081 1.549 1.00 0.00 N ATOM 315 CA THR A 21 1.672 -12.483 0.484 1.00 0.00 C ATOM 316 C THR A 21 2.074 -13.810 -0.163 1.00 0.00 C ATOM 317 O THR A 21 1.257 -14.488 -0.752 1.00 0.00 O ATOM 318 CB THR A 21 1.610 -11.402 -0.602 1.00 0.00 C ATOM 319 OG1 THR A 21 2.900 -11.227 -1.174 1.00 0.00 O ATOM 320 CG2 THR A 21 1.127 -10.081 0.000 1.00 0.00 C ATOM 0 H THR A 21 3.505 -11.624 1.211 1.00 0.00 H new ATOM 0 HA THR A 21 0.696 -12.599 0.956 1.00 0.00 H new ATOM 0 HB THR A 21 0.910 -11.714 -1.377 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.426 -10.618 -0.615 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.086 -9.320 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.133 -10.217 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.817 -9.764 0.782 1.00 0.00 H new ATOM 328 N GLN A 22 3.311 -14.195 -0.068 1.00 0.00 N ATOM 329 CA GLN A 22 3.727 -15.484 -0.688 1.00 0.00 C ATOM 330 C GLN A 22 3.230 -16.667 0.151 1.00 0.00 C ATOM 331 O GLN A 22 2.862 -17.698 -0.375 1.00 0.00 O ATOM 332 CB GLN A 22 5.253 -15.522 -0.801 1.00 0.00 C ATOM 333 CG GLN A 22 5.700 -14.563 -1.910 1.00 0.00 C ATOM 334 CD GLN A 22 7.225 -14.584 -2.033 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.775 -14.072 -2.988 1.00 0.00 O ATOM 336 NE2 GLN A 22 7.936 -15.153 -1.100 1.00 0.00 N ATOM 0 H GLN A 22 4.051 -13.679 0.408 1.00 0.00 H new ATOM 0 HA GLN A 22 3.287 -15.561 -1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.707 -15.237 0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.588 -16.535 -1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.246 -14.852 -2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.358 -13.552 -1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.475 -15.583 -0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.953 -15.168 -1.172 1.00 0.00 H new ATOM 345 N ASN A 23 3.235 -16.535 1.450 1.00 0.00 N ATOM 346 CA ASN A 23 2.787 -17.661 2.332 1.00 0.00 C ATOM 347 C ASN A 23 1.333 -17.477 2.785 1.00 0.00 C ATOM 348 O ASN A 23 0.859 -18.199 3.639 1.00 0.00 O ATOM 349 CB ASN A 23 3.688 -17.703 3.565 1.00 0.00 C ATOM 350 CG ASN A 23 3.613 -16.362 4.296 1.00 0.00 C ATOM 351 OD1 ASN A 23 2.919 -15.461 3.868 1.00 0.00 O ATOM 352 ND2 ASN A 23 4.306 -16.189 5.387 1.00 0.00 N ATOM 0 H ASN A 23 3.531 -15.693 1.944 1.00 0.00 H new ATOM 0 HA ASN A 23 2.852 -18.590 1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.377 -18.509 4.229 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.716 -17.912 3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.265 -15.298 5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.889 -16.945 5.746 1.00 0.00 H new ATOM 359 N GLN A 24 0.612 -16.530 2.243 1.00 0.00 N ATOM 360 CA GLN A 24 -0.802 -16.353 2.695 1.00 0.00 C ATOM 361 C GLN A 24 -1.702 -17.362 1.979 1.00 0.00 C ATOM 362 O GLN A 24 -1.701 -17.463 0.768 1.00 0.00 O ATOM 363 CB GLN A 24 -1.275 -14.917 2.407 1.00 0.00 C ATOM 364 CG GLN A 24 -1.572 -14.723 0.915 1.00 0.00 C ATOM 365 CD GLN A 24 -1.797 -13.236 0.634 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.673 -12.412 1.519 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.119 -12.855 -0.571 1.00 0.00 N ATOM 0 H GLN A 24 0.931 -15.883 1.522 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.858 -16.527 3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.170 -14.702 2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.510 -14.208 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.742 -15.097 0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.454 -15.296 0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.223 -13.546 -1.314 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.267 -11.866 -0.771 1.00 0.00 H new ATOM 376 N LYS A 25 -2.481 -18.105 2.722 1.00 0.00 N ATOM 377 CA LYS A 25 -3.394 -19.098 2.089 1.00 0.00 C ATOM 378 C LYS A 25 -4.722 -18.405 1.797 1.00 0.00 C ATOM 379 O LYS A 25 -4.982 -17.977 0.692 1.00 0.00 O ATOM 380 CB LYS A 25 -3.615 -20.273 3.048 1.00 0.00 C ATOM 381 CG LYS A 25 -4.537 -21.308 2.396 1.00 0.00 C ATOM 382 CD LYS A 25 -4.717 -22.507 3.335 1.00 0.00 C ATOM 383 CE LYS A 25 -5.523 -23.595 2.623 1.00 0.00 C ATOM 384 NZ LYS A 25 -4.701 -24.184 1.529 1.00 0.00 N ATOM 0 H LYS A 25 -2.523 -18.066 3.740 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.962 -19.479 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.659 -20.732 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.055 -19.916 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.505 -20.858 2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.115 -21.638 1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.744 -22.897 3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.230 -22.196 4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.814 -24.370 3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.442 -23.174 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.062 -25.131 1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.755 -23.575 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.711 -24.258 1.840 1.00 0.00 H new ATOM 398 N ALA A 26 -5.556 -18.265 2.788 1.00 0.00 N ATOM 399 CA ALA A 26 -6.854 -17.570 2.569 1.00 0.00 C ATOM 400 C ALA A 26 -6.591 -16.054 2.629 1.00 0.00 C ATOM 401 O ALA A 26 -5.635 -15.625 3.245 1.00 0.00 O ATOM 402 CB ALA A 26 -7.838 -17.991 3.672 1.00 0.00 C ATOM 0 H ALA A 26 -5.396 -18.601 3.738 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.285 -17.831 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.792 -17.487 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.988 -19.070 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.433 -17.715 4.646 1.00 0.00 H new ATOM 408 N PRO A 27 -7.413 -15.239 2.008 1.00 0.00 N ATOM 409 CA PRO A 27 -7.188 -13.767 2.048 1.00 0.00 C ATOM 410 C PRO A 27 -6.895 -13.273 3.476 1.00 0.00 C ATOM 411 O PRO A 27 -7.445 -13.772 4.438 1.00 0.00 O ATOM 412 CB PRO A 27 -8.523 -13.217 1.515 1.00 0.00 C ATOM 413 CG PRO A 27 -9.308 -14.383 0.874 1.00 0.00 C ATOM 414 CD PRO A 27 -8.600 -15.704 1.236 1.00 0.00 C ATOM 0 HA PRO A 27 -6.323 -13.443 1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.100 -12.771 2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.344 -12.431 0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.336 -14.392 1.236 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.352 -14.261 -0.208 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.240 -16.356 1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.311 -16.265 0.347 1.00 0.00 H new ATOM 422 N LEU A 28 -6.029 -12.306 3.619 1.00 0.00 N ATOM 423 CA LEU A 28 -5.705 -11.798 4.984 1.00 0.00 C ATOM 424 C LEU A 28 -6.958 -11.185 5.606 1.00 0.00 C ATOM 425 O LEU A 28 -7.321 -11.490 6.724 1.00 0.00 O ATOM 426 CB LEU A 28 -4.614 -10.730 4.884 1.00 0.00 C ATOM 427 CG LEU A 28 -3.347 -11.336 4.268 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.300 -10.233 4.087 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.785 -12.439 5.187 1.00 0.00 C ATOM 0 H LEU A 28 -5.534 -11.848 2.854 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.353 -12.621 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.963 -9.897 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.393 -10.330 5.873 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.591 -11.776 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.396 -10.657 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.695 -9.461 3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.062 -9.794 5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.886 -12.862 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.540 -12.012 6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.531 -13.223 5.312 1.00 0.00 H new ATOM 441 N CYS A 29 -7.628 -10.330 4.886 1.00 0.00 N ATOM 442 CA CYS A 29 -8.869 -9.705 5.431 1.00 0.00 C ATOM 443 C CYS A 29 -10.048 -10.650 5.197 1.00 0.00 C ATOM 444 O CYS A 29 -9.974 -11.550 4.385 1.00 0.00 O ATOM 445 CB CYS A 29 -9.132 -8.375 4.719 1.00 0.00 C ATOM 446 SG CYS A 29 -7.980 -7.123 5.329 1.00 0.00 S ATOM 0 H CYS A 29 -7.372 -10.036 3.944 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.748 -9.522 6.499 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.015 -8.498 3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.159 -8.054 4.893 1.00 0.00 H new ATOM 451 N ASN A 30 -11.136 -10.454 5.892 1.00 0.00 N ATOM 452 CA ASN A 30 -12.316 -11.345 5.687 1.00 0.00 C ATOM 453 C ASN A 30 -12.889 -11.099 4.290 1.00 0.00 C ATOM 454 O ASN A 30 -14.080 -10.946 4.117 1.00 0.00 O ATOM 455 CB ASN A 30 -13.388 -11.041 6.738 1.00 0.00 C ATOM 456 CG ASN A 30 -12.821 -11.298 8.134 1.00 0.00 C ATOM 457 OD1 ASN A 30 -12.788 -10.409 8.963 1.00 0.00 O ATOM 458 ND2 ASN A 30 -12.372 -12.486 8.432 1.00 0.00 N ATOM 0 H ASN A 30 -11.259 -9.720 6.589 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.007 -12.386 5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.714 -10.004 6.651 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.265 -11.666 6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.993 -12.670 9.361 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.400 -13.231 7.736 1.00 0.00 H new ATOM 465 N GLY A 31 -12.049 -11.050 3.293 1.00 0.00 N ATOM 466 CA GLY A 31 -12.547 -10.803 1.913 1.00 0.00 C ATOM 467 C GLY A 31 -12.891 -9.322 1.760 1.00 0.00 C ATOM 468 O GLY A 31 -13.711 -8.946 0.949 1.00 0.00 O ATOM 0 H GLY A 31 -11.040 -11.170 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.790 -11.090 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.427 -11.415 1.716 1.00 0.00 H new ATOM 472 N SER A 32 -12.276 -8.478 2.542 1.00 0.00 N ATOM 473 CA SER A 32 -12.577 -7.024 2.448 1.00 0.00 C ATOM 474 C SER A 32 -12.220 -6.506 1.054 1.00 0.00 C ATOM 475 O SER A 32 -11.283 -6.964 0.417 1.00 0.00 O ATOM 476 CB SER A 32 -11.774 -6.261 3.502 1.00 0.00 C ATOM 477 OG SER A 32 -12.130 -6.735 4.794 1.00 0.00 O ATOM 0 H SER A 32 -11.579 -8.733 3.241 1.00 0.00 H new ATOM 0 HA SER A 32 -13.642 -6.869 2.624 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.706 -6.398 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.974 -5.192 3.426 1.00 0.00 H new ATOM 0 HG SER A 32 -11.616 -6.250 5.473 1.00 0.00 H new ATOM 483 N MET A 33 -12.975 -5.550 0.581 1.00 0.00 N ATOM 484 CA MET A 33 -12.730 -4.965 -0.768 1.00 0.00 C ATOM 485 C MET A 33 -12.208 -3.535 -0.585 1.00 0.00 C ATOM 486 O MET A 33 -12.543 -2.876 0.377 1.00 0.00 O ATOM 487 CB MET A 33 -14.059 -4.931 -1.523 1.00 0.00 C ATOM 488 CG MET A 33 -14.607 -6.354 -1.654 1.00 0.00 C ATOM 489 SD MET A 33 -13.580 -7.304 -2.803 1.00 0.00 S ATOM 490 CE MET A 33 -14.052 -6.456 -4.332 1.00 0.00 C ATOM 0 H MET A 33 -13.765 -5.144 1.082 1.00 0.00 H new ATOM 0 HA MET A 33 -12.002 -5.555 -1.325 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.774 -4.302 -0.994 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.918 -4.492 -2.511 1.00 0.00 H new ATOM 0 HG2 MET A 33 -14.621 -6.839 -0.678 1.00 0.00 H new ATOM 0 HG3 MET A 33 -15.637 -6.326 -2.011 1.00 0.00 H new ATOM 0 HE1 MET A 33 -13.724 -7.043 -5.190 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.135 -6.340 -4.364 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.581 -5.474 -4.363 1.00 0.00 H new ATOM 500 N VAL A 34 -11.390 -3.050 -1.490 1.00 0.00 N ATOM 501 CA VAL A 34 -10.843 -1.653 -1.356 1.00 0.00 C ATOM 502 C VAL A 34 -11.036 -0.890 -2.667 1.00 0.00 C ATOM 503 O VAL A 34 -11.218 -1.472 -3.716 1.00 0.00 O ATOM 504 CB VAL A 34 -9.349 -1.711 -1.026 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.160 -2.091 0.442 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.670 -2.749 -1.922 1.00 0.00 C ATOM 0 H VAL A 34 -11.075 -3.558 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.376 -1.142 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.900 -0.733 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.096 -2.131 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.641 -1.346 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.608 -3.067 0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.606 -2.791 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.119 -3.727 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.801 -2.469 -2.967 1.00 0.00 H new ATOM 516 N TRP A 35 -10.993 0.415 -2.605 1.00 0.00 N ATOM 517 CA TRP A 35 -11.169 1.236 -3.838 1.00 0.00 C ATOM 518 C TRP A 35 -9.921 1.123 -4.711 1.00 0.00 C ATOM 519 O TRP A 35 -8.808 1.243 -4.238 1.00 0.00 O ATOM 520 CB TRP A 35 -11.339 2.709 -3.455 1.00 0.00 C ATOM 521 CG TRP A 35 -12.656 2.939 -2.785 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.849 2.984 -1.447 1.00 0.00 C ATOM 523 CD2 TRP A 35 -13.957 3.179 -3.395 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.185 3.237 -1.197 1.00 0.00 N ATOM 525 CE2 TRP A 35 -14.910 3.363 -2.365 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.400 3.253 -4.728 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.254 3.611 -2.647 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -15.752 3.502 -5.015 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.677 3.679 -3.976 1.00 0.00 C ATOM 0 H TRP A 35 -10.843 0.949 -1.749 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.046 0.877 -4.376 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.530 3.011 -2.789 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.267 3.331 -4.347 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.085 2.845 -0.697 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.586 3.320 -0.263 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -13.696 3.117 -5.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -16.962 3.749 -1.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.081 3.558 -6.042 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -17.716 3.868 -4.204 1.00 0.00 H new ATOM 540 N SER A 36 -10.093 0.919 -5.986 1.00 0.00 N ATOM 541 CA SER A 36 -8.911 0.830 -6.883 1.00 0.00 C ATOM 542 C SER A 36 -8.302 2.226 -7.043 1.00 0.00 C ATOM 543 O SER A 36 -8.995 3.222 -6.972 1.00 0.00 O ATOM 544 CB SER A 36 -9.342 0.296 -8.250 1.00 0.00 C ATOM 545 OG SER A 36 -10.141 1.271 -8.906 1.00 0.00 O ATOM 0 H SER A 36 -10.998 0.810 -6.444 1.00 0.00 H new ATOM 0 HA SER A 36 -8.172 0.153 -6.454 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.466 0.061 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.904 -0.630 -8.130 1.00 0.00 H new ATOM 0 HG SER A 36 -10.417 0.932 -9.783 1.00 0.00 H new ATOM 551 N ILE A 37 -7.013 2.307 -7.262 1.00 0.00 N ATOM 552 CA ILE A 37 -6.348 3.640 -7.436 1.00 0.00 C ATOM 553 C ILE A 37 -5.412 3.590 -8.639 1.00 0.00 C ATOM 554 O ILE A 37 -4.995 2.534 -9.070 1.00 0.00 O ATOM 555 CB ILE A 37 -5.536 3.992 -6.183 1.00 0.00 C ATOM 556 CG1 ILE A 37 -4.536 2.873 -5.857 1.00 0.00 C ATOM 557 CG2 ILE A 37 -6.481 4.177 -4.998 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.509 3.389 -4.845 1.00 0.00 C ATOM 0 H ILE A 37 -6.388 1.504 -7.328 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.115 4.398 -7.594 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.988 4.915 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.061 2.008 -5.451 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.033 2.543 -6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.904 4.427 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.182 4.983 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.033 3.253 -4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.798 2.596 -4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.977 4.241 -5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.020 3.698 -3.933 1.00 0.00 H new ATOM 570 N ASN A 38 -5.058 4.726 -9.174 1.00 0.00 N ATOM 571 CA ASN A 38 -4.124 4.741 -10.333 1.00 0.00 C ATOM 572 C ASN A 38 -2.699 4.790 -9.784 1.00 0.00 C ATOM 573 O ASN A 38 -2.348 5.676 -9.031 1.00 0.00 O ATOM 574 CB ASN A 38 -4.395 5.977 -11.194 1.00 0.00 C ATOM 575 CG ASN A 38 -5.743 5.812 -11.900 1.00 0.00 C ATOM 576 OD1 ASN A 38 -6.214 4.706 -12.082 1.00 0.00 O ATOM 577 ND2 ASN A 38 -6.389 6.870 -12.304 1.00 0.00 N ATOM 0 H ASN A 38 -5.375 5.643 -8.859 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.261 3.852 -10.949 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.403 6.873 -10.573 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.600 6.105 -11.928 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.289 6.770 -12.773 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.994 7.798 -12.151 1.00 0.00 H new ATOM 584 N LEU A 39 -1.878 3.837 -10.131 1.00 0.00 N ATOM 585 CA LEU A 39 -0.487 3.831 -9.598 1.00 0.00 C ATOM 586 C LEU A 39 0.377 4.793 -10.415 1.00 0.00 C ATOM 587 O LEU A 39 0.671 4.549 -11.568 1.00 0.00 O ATOM 588 CB LEU A 39 0.108 2.417 -9.698 1.00 0.00 C ATOM 589 CG LEU A 39 -0.614 1.436 -8.752 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.423 1.861 -7.286 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.114 1.375 -9.087 1.00 0.00 C ATOM 0 H LEU A 39 -2.109 3.066 -10.757 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.507 4.144 -8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.030 2.059 -10.725 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.169 2.449 -9.451 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.180 0.446 -8.890 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.939 1.157 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.640 1.867 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.834 2.860 -7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.610 0.679 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.553 2.366 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.244 1.037 -10.115 1.00 0.00 H new ATOM 603 N THR A 40 0.794 5.885 -9.825 1.00 0.00 N ATOM 604 CA THR A 40 1.648 6.860 -10.570 1.00 0.00 C ATOM 605 C THR A 40 2.578 7.586 -9.594 1.00 0.00 C ATOM 606 O THR A 40 3.734 7.240 -9.457 1.00 0.00 O ATOM 607 CB THR A 40 0.759 7.887 -11.278 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.270 8.306 -10.394 1.00 0.00 O ATOM 609 CG2 THR A 40 0.135 7.263 -12.526 1.00 0.00 C ATOM 0 H THR A 40 0.581 6.143 -8.862 1.00 0.00 H new ATOM 0 HA THR A 40 2.244 6.321 -11.307 1.00 0.00 H new ATOM 0 HB THR A 40 1.364 8.745 -11.572 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.840 8.965 -10.844 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.496 7.999 -13.024 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.924 6.942 -13.206 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.469 6.402 -12.239 1.00 0.00 H new ATOM 617 N ALA A 41 2.079 8.598 -8.920 1.00 0.00 N ATOM 618 CA ALA A 41 2.925 9.370 -7.950 1.00 0.00 C ATOM 619 C ALA A 41 2.327 9.269 -6.545 1.00 0.00 C ATOM 620 O ALA A 41 2.945 8.754 -5.635 1.00 0.00 O ATOM 621 CB ALA A 41 2.969 10.841 -8.373 1.00 0.00 C ATOM 0 H ALA A 41 1.116 8.924 -9.001 1.00 0.00 H new ATOM 0 HA ALA A 41 3.933 8.956 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.583 11.404 -7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.397 10.920 -9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.958 11.248 -8.379 1.00 0.00 H new ATOM 627 N GLY A 42 1.131 9.759 -6.358 1.00 0.00 N ATOM 628 CA GLY A 42 0.498 9.693 -5.007 1.00 0.00 C ATOM 629 C GLY A 42 0.156 8.240 -4.662 1.00 0.00 C ATOM 630 O GLY A 42 -0.861 7.957 -4.062 1.00 0.00 O ATOM 0 H GLY A 42 0.564 10.202 -7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.175 10.104 -4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.405 10.303 -4.989 1.00 0.00 H new ATOM 634 N MET A 43 0.994 7.318 -5.049 1.00 0.00 N ATOM 635 CA MET A 43 0.725 5.880 -4.763 1.00 0.00 C ATOM 636 C MET A 43 0.624 5.642 -3.251 1.00 0.00 C ATOM 637 O MET A 43 -0.327 5.062 -2.764 1.00 0.00 O ATOM 638 CB MET A 43 1.900 5.064 -5.301 1.00 0.00 C ATOM 639 CG MET A 43 1.988 5.187 -6.825 1.00 0.00 C ATOM 640 SD MET A 43 3.695 4.899 -7.352 1.00 0.00 S ATOM 641 CE MET A 43 3.938 3.319 -6.506 1.00 0.00 C ATOM 0 H MET A 43 1.861 7.501 -5.555 1.00 0.00 H new ATOM 0 HA MET A 43 -0.214 5.587 -5.233 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.829 5.411 -4.848 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.781 4.017 -5.021 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.323 4.465 -7.298 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.660 6.177 -7.141 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.794 2.802 -6.940 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.121 3.498 -5.446 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.046 2.703 -6.621 1.00 0.00 H new ATOM 651 N TYR A 44 1.607 6.078 -2.511 1.00 0.00 N ATOM 652 CA TYR A 44 1.590 5.872 -1.033 1.00 0.00 C ATOM 653 C TYR A 44 0.424 6.645 -0.410 1.00 0.00 C ATOM 654 O TYR A 44 -0.284 6.143 0.440 1.00 0.00 O ATOM 655 CB TYR A 44 2.911 6.377 -0.451 1.00 0.00 C ATOM 656 CG TYR A 44 4.051 5.558 -1.009 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.663 5.936 -2.212 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.490 4.413 -0.331 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.715 5.172 -2.734 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.540 3.650 -0.855 1.00 0.00 C ATOM 661 CZ TYR A 44 6.153 4.029 -2.055 1.00 0.00 C ATOM 662 OH TYR A 44 7.187 3.273 -2.572 1.00 0.00 O ATOM 0 H TYR A 44 2.426 6.571 -2.868 1.00 0.00 H new ATOM 0 HA TYR A 44 1.466 4.812 -0.812 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.051 7.430 -0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.894 6.303 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.323 6.817 -2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.019 4.119 0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.188 5.465 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.878 2.767 -0.332 1.00 0.00 H new ATOM 0 HH TYR A 44 7.367 2.515 -1.977 1.00 0.00 H new ATOM 672 N CYS A 45 0.223 7.863 -0.830 1.00 0.00 N ATOM 673 CA CYS A 45 -0.893 8.677 -0.270 1.00 0.00 C ATOM 674 C CYS A 45 -2.230 8.065 -0.697 1.00 0.00 C ATOM 675 O CYS A 45 -3.085 7.778 0.117 1.00 0.00 O ATOM 676 CB CYS A 45 -0.780 10.105 -0.805 1.00 0.00 C ATOM 677 SG CYS A 45 0.962 10.596 -0.801 1.00 0.00 S ATOM 0 H CYS A 45 0.786 8.332 -1.540 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.838 8.690 0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.186 10.162 -1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.365 10.786 -0.187 1.00 0.00 H new ATOM 682 N ALA A 46 -2.409 7.868 -1.975 1.00 0.00 N ATOM 683 CA ALA A 46 -3.681 7.277 -2.481 1.00 0.00 C ATOM 684 C ALA A 46 -3.881 5.883 -1.882 1.00 0.00 C ATOM 685 O ALA A 46 -4.957 5.524 -1.447 1.00 0.00 O ATOM 686 CB ALA A 46 -3.603 7.154 -4.004 1.00 0.00 C ATOM 0 H ALA A 46 -1.723 8.093 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.515 7.918 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.530 6.722 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.457 8.142 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.766 6.510 -4.275 1.00 0.00 H new ATOM 692 N ALA A 47 -2.855 5.087 -1.871 1.00 0.00 N ATOM 693 CA ALA A 47 -2.990 3.716 -1.315 1.00 0.00 C ATOM 694 C ALA A 47 -3.325 3.786 0.175 1.00 0.00 C ATOM 695 O ALA A 47 -4.092 2.994 0.687 1.00 0.00 O ATOM 696 CB ALA A 47 -1.680 2.950 -1.507 1.00 0.00 C ATOM 0 H ALA A 47 -1.928 5.325 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.794 3.199 -1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.783 1.945 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.448 2.887 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.874 3.471 -0.990 1.00 0.00 H new ATOM 702 N LEU A 48 -2.731 4.705 0.884 1.00 0.00 N ATOM 703 CA LEU A 48 -2.989 4.797 2.348 1.00 0.00 C ATOM 704 C LEU A 48 -4.480 5.053 2.620 1.00 0.00 C ATOM 705 O LEU A 48 -5.084 4.368 3.417 1.00 0.00 O ATOM 706 CB LEU A 48 -2.150 5.943 2.930 1.00 0.00 C ATOM 707 CG LEU A 48 -2.385 6.069 4.444 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.946 4.779 5.155 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.561 7.248 4.977 1.00 0.00 C ATOM 0 H LEU A 48 -2.079 5.396 0.513 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.712 3.855 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.093 5.763 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.411 6.879 2.437 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.445 6.235 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.116 4.878 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.524 3.938 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.886 4.605 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.720 7.347 6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.503 7.071 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.873 8.165 4.478 1.00 0.00 H new ATOM 721 N GLU A 49 -5.081 6.025 1.974 1.00 0.00 N ATOM 722 CA GLU A 49 -6.531 6.301 2.233 1.00 0.00 C ATOM 723 C GLU A 49 -7.355 5.058 1.918 1.00 0.00 C ATOM 724 O GLU A 49 -8.323 4.759 2.588 1.00 0.00 O ATOM 725 CB GLU A 49 -7.020 7.477 1.378 1.00 0.00 C ATOM 726 CG GLU A 49 -6.517 7.319 -0.055 1.00 0.00 C ATOM 727 CD GLU A 49 -7.011 8.490 -0.906 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.199 8.537 -1.180 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.193 9.318 -1.272 1.00 0.00 O ATOM 0 H GLU A 49 -4.636 6.633 1.286 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.652 6.562 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.109 7.518 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.662 8.417 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.428 7.282 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.872 6.377 -0.474 1.00 0.00 H new ATOM 736 N SER A 50 -6.982 4.324 0.912 1.00 0.00 N ATOM 737 CA SER A 50 -7.754 3.098 0.578 1.00 0.00 C ATOM 738 C SER A 50 -7.679 2.136 1.764 1.00 0.00 C ATOM 739 O SER A 50 -8.640 1.477 2.108 1.00 0.00 O ATOM 740 CB SER A 50 -7.154 2.438 -0.663 1.00 0.00 C ATOM 741 OG SER A 50 -5.902 1.856 -0.325 1.00 0.00 O ATOM 0 H SER A 50 -6.182 4.517 0.310 1.00 0.00 H new ATOM 0 HA SER A 50 -8.794 3.354 0.374 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.831 1.675 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.023 3.176 -1.455 1.00 0.00 H new ATOM 0 HG SER A 50 -5.297 2.552 0.007 1.00 0.00 H new ATOM 747 N LEU A 51 -6.540 2.054 2.393 1.00 0.00 N ATOM 748 CA LEU A 51 -6.389 1.141 3.561 1.00 0.00 C ATOM 749 C LEU A 51 -7.200 1.676 4.748 1.00 0.00 C ATOM 750 O LEU A 51 -7.744 0.920 5.528 1.00 0.00 O ATOM 751 CB LEU A 51 -4.914 1.070 3.956 1.00 0.00 C ATOM 752 CG LEU A 51 -4.104 0.313 2.891 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.613 0.495 3.186 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.449 -1.189 2.914 1.00 0.00 C ATOM 0 H LEU A 51 -5.703 2.583 2.147 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.752 0.149 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.515 2.077 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.814 0.571 4.920 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.348 0.710 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.026 -0.037 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.363 1.556 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.387 0.097 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.866 -1.708 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.214 -1.601 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.511 -1.321 2.710 1.00 0.00 H new ATOM 766 N ILE A 52 -7.280 2.972 4.898 1.00 0.00 N ATOM 767 CA ILE A 52 -8.050 3.548 6.041 1.00 0.00 C ATOM 768 C ILE A 52 -9.480 2.995 6.030 1.00 0.00 C ATOM 769 O ILE A 52 -10.150 2.976 7.042 1.00 0.00 O ATOM 770 CB ILE A 52 -8.088 5.082 5.922 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.675 5.676 6.040 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.970 5.674 7.022 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.987 5.234 7.340 1.00 0.00 C ATOM 0 H ILE A 52 -6.846 3.657 4.279 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.563 3.272 6.977 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.499 5.332 4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.075 5.364 5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.732 6.764 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.989 6.760 6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.983 5.283 6.926 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.567 5.402 7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.990 5.672 7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.575 5.569 8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.907 4.147 7.358 1.00 0.00 H new ATOM 785 N ASN A 53 -9.955 2.542 4.902 1.00 0.00 N ATOM 786 CA ASN A 53 -11.344 1.995 4.850 1.00 0.00 C ATOM 787 C ASN A 53 -11.346 0.560 5.384 1.00 0.00 C ATOM 788 O ASN A 53 -12.366 0.036 5.785 1.00 0.00 O ATOM 789 CB ASN A 53 -11.831 1.981 3.399 1.00 0.00 C ATOM 790 CG ASN A 53 -12.063 3.411 2.913 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.495 3.827 1.924 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.884 4.185 3.568 1.00 0.00 N ATOM 0 H ASN A 53 -9.446 2.526 4.018 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.000 2.619 5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.095 1.487 2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.755 1.407 3.322 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.049 5.140 3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.361 3.835 4.399 1.00 0.00 H new ATOM 799 N VAL A 54 -10.208 -0.079 5.387 1.00 0.00 N ATOM 800 CA VAL A 54 -10.127 -1.485 5.886 1.00 0.00 C ATOM 801 C VAL A 54 -9.769 -1.490 7.375 1.00 0.00 C ATOM 802 O VAL A 54 -8.736 -0.992 7.775 1.00 0.00 O ATOM 803 CB VAL A 54 -9.053 -2.230 5.088 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.853 -3.628 5.672 1.00 0.00 C ATOM 805 CG2 VAL A 54 -9.496 -2.349 3.623 1.00 0.00 C ATOM 0 H VAL A 54 -9.324 0.314 5.063 1.00 0.00 H new ATOM 0 HA VAL A 54 -11.090 -1.979 5.758 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.115 -1.678 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.088 -4.155 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.538 -3.546 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.790 -4.182 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.732 -2.879 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.435 -2.900 3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.635 -1.353 3.203 1.00 0.00 H new ATOM 815 N SER A 55 -10.624 -2.051 8.197 1.00 0.00 N ATOM 816 CA SER A 55 -10.361 -2.101 9.673 1.00 0.00 C ATOM 817 C SER A 55 -10.527 -3.540 10.170 1.00 0.00 C ATOM 818 O SER A 55 -11.300 -4.309 9.632 1.00 0.00 O ATOM 819 CB SER A 55 -11.361 -1.202 10.399 1.00 0.00 C ATOM 820 OG SER A 55 -11.198 0.138 9.953 1.00 0.00 O ATOM 0 H SER A 55 -11.502 -2.481 7.906 1.00 0.00 H new ATOM 0 HA SER A 55 -9.346 -1.757 9.872 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.379 -1.540 10.206 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.205 -1.260 11.476 1.00 0.00 H new ATOM 0 HG SER A 55 -11.839 0.717 10.416 1.00 0.00 H new ATOM 826 N GLY A 56 -9.804 -3.909 11.197 1.00 0.00 N ATOM 827 CA GLY A 56 -9.908 -5.297 11.741 1.00 0.00 C ATOM 828 C GLY A 56 -8.803 -6.170 11.145 1.00 0.00 C ATOM 829 O GLY A 56 -8.579 -7.282 11.580 1.00 0.00 O ATOM 0 H GLY A 56 -9.142 -3.305 11.685 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.824 -5.279 12.828 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.885 -5.718 11.504 1.00 0.00 H new ATOM 833 N CYS A 57 -8.103 -5.677 10.155 1.00 0.00 N ATOM 834 CA CYS A 57 -7.005 -6.482 9.535 1.00 0.00 C ATOM 835 C CYS A 57 -5.661 -6.060 10.137 1.00 0.00 C ATOM 836 O CYS A 57 -4.984 -5.194 9.622 1.00 0.00 O ATOM 837 CB CYS A 57 -6.982 -6.227 8.027 1.00 0.00 C ATOM 838 SG CYS A 57 -8.480 -6.901 7.272 1.00 0.00 S ATOM 0 H CYS A 57 -8.244 -4.752 9.749 1.00 0.00 H new ATOM 0 HA CYS A 57 -7.176 -7.541 9.728 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.914 -5.157 7.830 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.100 -6.689 7.584 1.00 0.00 H new ATOM 843 N SER A 58 -5.270 -6.672 11.222 1.00 0.00 N ATOM 844 CA SER A 58 -3.968 -6.316 11.860 1.00 0.00 C ATOM 845 C SER A 58 -2.814 -6.830 10.998 1.00 0.00 C ATOM 846 O SER A 58 -1.757 -6.233 10.938 1.00 0.00 O ATOM 847 CB SER A 58 -3.887 -6.951 13.249 1.00 0.00 C ATOM 848 OG SER A 58 -2.755 -6.433 13.940 1.00 0.00 O ATOM 0 H SER A 58 -5.797 -7.405 11.696 1.00 0.00 H new ATOM 0 HA SER A 58 -3.897 -5.232 11.951 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.797 -6.741 13.811 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.809 -8.035 13.162 1.00 0.00 H new ATOM 0 HG SER A 58 -2.702 -6.838 14.831 1.00 0.00 H new ATOM 854 N ALA A 59 -3.008 -7.942 10.344 1.00 0.00 N ATOM 855 CA ALA A 59 -1.929 -8.519 9.491 1.00 0.00 C ATOM 856 C ALA A 59 -1.304 -7.430 8.616 1.00 0.00 C ATOM 857 O ALA A 59 -0.275 -7.636 8.007 1.00 0.00 O ATOM 858 CB ALA A 59 -2.524 -9.605 8.595 1.00 0.00 C ATOM 0 H ALA A 59 -3.874 -8.480 10.364 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.157 -8.944 10.133 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.740 -10.030 7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.960 -10.389 9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.298 -9.171 7.962 1.00 0.00 H new ATOM 864 N ILE A 60 -1.918 -6.273 8.543 1.00 0.00 N ATOM 865 CA ILE A 60 -1.364 -5.162 7.705 1.00 0.00 C ATOM 866 C ILE A 60 -1.291 -3.882 8.534 1.00 0.00 C ATOM 867 O ILE A 60 -1.141 -2.799 8.005 1.00 0.00 O ATOM 868 CB ILE A 60 -2.263 -4.946 6.485 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.699 -4.646 6.937 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.254 -6.209 5.620 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.560 -4.315 5.714 1.00 0.00 C ATOM 0 H ILE A 60 -2.785 -6.049 9.031 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.361 -5.424 7.368 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.888 -4.101 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.113 -5.505 7.465 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.704 -3.810 7.636 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.893 -6.059 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.236 -6.417 5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.626 -7.052 6.203 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.580 -4.102 6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.149 -3.443 5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.564 -5.165 5.031 1.00 0.00 H new ATOM 883 N GLU A 61 -1.394 -3.991 9.832 1.00 0.00 N ATOM 884 CA GLU A 61 -1.322 -2.768 10.678 1.00 0.00 C ATOM 885 C GLU A 61 0.029 -2.108 10.434 1.00 0.00 C ATOM 886 O GLU A 61 0.135 -0.914 10.228 1.00 0.00 O ATOM 887 CB GLU A 61 -1.424 -3.161 12.154 1.00 0.00 C ATOM 888 CG GLU A 61 -1.689 -1.918 12.990 1.00 0.00 C ATOM 889 CD GLU A 61 -1.723 -2.292 14.472 1.00 0.00 C ATOM 890 OE1 GLU A 61 -1.702 -3.475 14.765 1.00 0.00 O ATOM 891 OE2 GLU A 61 -1.765 -1.387 15.290 1.00 0.00 O ATOM 0 H GLU A 61 -1.524 -4.867 10.338 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.136 -2.088 10.429 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.226 -3.885 12.294 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.501 -3.641 12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.912 -1.175 12.810 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.637 -1.466 12.697 1.00 0.00 H new ATOM 898 N LYS A 62 1.059 -2.899 10.450 1.00 0.00 N ATOM 899 CA LYS A 62 2.428 -2.370 10.212 1.00 0.00 C ATOM 900 C LYS A 62 2.510 -1.760 8.815 1.00 0.00 C ATOM 901 O LYS A 62 3.132 -0.738 8.606 1.00 0.00 O ATOM 902 CB LYS A 62 3.438 -3.507 10.332 1.00 0.00 C ATOM 903 CG LYS A 62 3.534 -3.940 11.794 1.00 0.00 C ATOM 904 CD LYS A 62 4.545 -5.079 11.920 1.00 0.00 C ATOM 905 CE LYS A 62 4.656 -5.499 13.386 1.00 0.00 C ATOM 906 NZ LYS A 62 5.674 -6.579 13.517 1.00 0.00 N ATOM 0 H LYS A 62 1.012 -3.904 10.620 1.00 0.00 H new ATOM 0 HA LYS A 62 2.652 -1.602 10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.132 -4.348 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.414 -3.182 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.839 -3.098 12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.557 -4.264 12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.233 -5.927 11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.518 -4.759 11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.937 -4.643 14.000 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.690 -5.849 13.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.750 -6.865 14.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.388 -7.397 12.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.596 -6.229 13.186 1.00 0.00 H new ATOM 920 N THR A 63 1.896 -2.387 7.852 1.00 0.00 N ATOM 921 CA THR A 63 1.952 -1.847 6.468 1.00 0.00 C ATOM 922 C THR A 63 1.356 -0.442 6.447 1.00 0.00 C ATOM 923 O THR A 63 1.885 0.452 5.823 1.00 0.00 O ATOM 924 CB THR A 63 1.151 -2.760 5.535 1.00 0.00 C ATOM 925 OG1 THR A 63 1.710 -4.067 5.561 1.00 0.00 O ATOM 926 CG2 THR A 63 1.194 -2.211 4.110 1.00 0.00 C ATOM 0 H THR A 63 1.360 -3.247 7.964 1.00 0.00 H new ATOM 0 HA THR A 63 2.988 -1.805 6.132 1.00 0.00 H new ATOM 0 HB THR A 63 0.115 -2.800 5.870 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.198 -4.654 4.966 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.623 -2.865 3.451 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.762 -1.210 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.228 -2.166 3.769 1.00 0.00 H new ATOM 934 N GLN A 64 0.270 -0.231 7.130 1.00 0.00 N ATOM 935 CA GLN A 64 -0.337 1.128 7.141 1.00 0.00 C ATOM 936 C GLN A 64 0.655 2.130 7.746 1.00 0.00 C ATOM 937 O GLN A 64 0.780 3.247 7.285 1.00 0.00 O ATOM 938 CB GLN A 64 -1.627 1.099 7.961 1.00 0.00 C ATOM 939 CG GLN A 64 -2.686 0.300 7.196 1.00 0.00 C ATOM 940 CD GLN A 64 -3.917 0.096 8.079 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.823 0.120 9.290 1.00 0.00 O ATOM 942 NE2 GLN A 64 -5.078 -0.108 7.519 1.00 0.00 N ATOM 0 H GLN A 64 -0.223 -0.935 7.679 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.570 1.436 6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.444 0.645 8.935 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.980 2.114 8.143 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.965 0.828 6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.279 -0.665 6.894 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.157 -0.128 6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.906 -0.247 8.098 1.00 0.00 H new ATOM 951 N ARG A 65 1.355 1.744 8.780 1.00 0.00 N ATOM 952 CA ARG A 65 2.332 2.678 9.416 1.00 0.00 C ATOM 953 C ARG A 65 3.491 2.971 8.454 1.00 0.00 C ATOM 954 O ARG A 65 3.876 4.107 8.257 1.00 0.00 O ATOM 955 CB ARG A 65 2.889 2.032 10.684 1.00 0.00 C ATOM 956 CG ARG A 65 1.781 1.919 11.731 1.00 0.00 C ATOM 957 CD ARG A 65 2.322 1.205 12.968 1.00 0.00 C ATOM 958 NE ARG A 65 3.519 1.930 13.475 1.00 0.00 N ATOM 959 CZ ARG A 65 3.965 1.690 14.676 1.00 0.00 C ATOM 960 NH1 ARG A 65 3.341 0.840 15.445 1.00 0.00 N ATOM 961 NH2 ARG A 65 5.029 2.306 15.110 1.00 0.00 N ATOM 0 H ARG A 65 1.293 0.822 9.212 1.00 0.00 H new ATOM 0 HA ARG A 65 1.825 3.612 9.659 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.289 1.044 10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.714 2.627 11.075 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.417 2.911 12.000 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.934 1.369 11.322 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.555 1.162 13.741 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.584 0.176 12.722 1.00 0.00 H new ATOM 0 HE ARG A 65 3.990 2.614 12.883 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.505 0.364 15.106 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.689 0.652 16.385 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.511 2.975 14.510 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.379 2.119 16.050 1.00 0.00 H new ATOM 975 N MET A 66 4.062 1.949 7.869 1.00 0.00 N ATOM 976 CA MET A 66 5.209 2.158 6.934 1.00 0.00 C ATOM 977 C MET A 66 4.778 2.997 5.726 1.00 0.00 C ATOM 978 O MET A 66 5.507 3.855 5.270 1.00 0.00 O ATOM 979 CB MET A 66 5.761 0.804 6.477 1.00 0.00 C ATOM 980 CG MET A 66 6.461 0.131 7.662 1.00 0.00 C ATOM 981 SD MET A 66 7.171 -1.454 7.145 1.00 0.00 S ATOM 982 CE MET A 66 5.620 -2.354 6.901 1.00 0.00 C ATOM 0 H MET A 66 3.783 0.977 7.999 1.00 0.00 H new ATOM 0 HA MET A 66 5.994 2.701 7.460 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.953 0.172 6.108 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.461 0.941 5.653 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.246 0.781 8.048 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.750 -0.027 8.473 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.827 -3.421 6.821 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.959 -2.176 7.749 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.139 -2.008 5.986 1.00 0.00 H new ATOM 992 N LEU A 67 3.603 2.770 5.203 1.00 0.00 N ATOM 993 CA LEU A 67 3.146 3.574 4.029 1.00 0.00 C ATOM 994 C LEU A 67 3.111 5.050 4.418 1.00 0.00 C ATOM 995 O LEU A 67 3.478 5.915 3.648 1.00 0.00 O ATOM 996 CB LEU A 67 1.741 3.135 3.606 1.00 0.00 C ATOM 997 CG LEU A 67 1.771 1.734 2.980 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.330 1.238 2.814 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.460 1.773 1.599 1.00 0.00 C ATOM 0 H LEU A 67 2.942 2.067 5.534 1.00 0.00 H new ATOM 0 HA LEU A 67 3.835 3.420 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.079 3.137 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.332 3.849 2.891 1.00 0.00 H new ATOM 0 HG LEU A 67 2.332 1.062 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.337 0.243 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.155 1.197 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.217 1.921 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.472 0.771 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.912 2.444 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.483 2.131 1.713 1.00 0.00 H new ATOM 1011 N SER A 68 2.673 5.344 5.610 1.00 0.00 N ATOM 1012 CA SER A 68 2.614 6.763 6.056 1.00 0.00 C ATOM 1013 C SER A 68 4.020 7.364 5.998 1.00 0.00 C ATOM 1014 O SER A 68 4.204 8.501 5.615 1.00 0.00 O ATOM 1015 CB SER A 68 2.092 6.827 7.494 1.00 0.00 C ATOM 1016 OG SER A 68 0.751 6.356 7.529 1.00 0.00 O ATOM 0 H SER A 68 2.353 4.661 6.296 1.00 0.00 H new ATOM 0 HA SER A 68 1.945 7.325 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.719 6.221 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.140 7.851 7.865 1.00 0.00 H new ATOM 0 HG SER A 68 0.747 5.377 7.484 1.00 0.00 H new ATOM 1022 N GLY A 69 5.011 6.607 6.380 1.00 0.00 N ATOM 1023 CA GLY A 69 6.409 7.127 6.352 1.00 0.00 C ATOM 1024 C GLY A 69 6.747 7.648 4.952 1.00 0.00 C ATOM 1025 O GLY A 69 7.615 8.482 4.786 1.00 0.00 O ATOM 0 H GLY A 69 4.913 5.647 6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.523 7.927 7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.105 6.337 6.633 1.00 0.00 H new ATOM 1029 N PHE A 70 6.071 7.167 3.940 1.00 0.00 N ATOM 1030 CA PHE A 70 6.363 7.642 2.553 1.00 0.00 C ATOM 1031 C PHE A 70 5.435 8.808 2.200 1.00 0.00 C ATOM 1032 O PHE A 70 5.687 9.546 1.269 1.00 0.00 O ATOM 1033 CB PHE A 70 6.128 6.497 1.558 1.00 0.00 C ATOM 1034 CG PHE A 70 7.276 5.516 1.619 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.399 5.708 0.804 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.217 4.414 2.479 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.460 4.803 0.849 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.281 3.505 2.525 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.404 3.700 1.711 1.00 0.00 C ATOM 0 H PHE A 70 5.332 6.468 4.013 1.00 0.00 H new ATOM 0 HA PHE A 70 7.401 7.971 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.192 5.989 1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.033 6.896 0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.444 6.558 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.351 4.265 3.107 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.325 4.953 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.236 2.654 3.188 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.226 3.001 1.748 1.00 0.00 H new ATOM 1049 N CYS A 71 4.365 8.983 2.932 1.00 0.00 N ATOM 1050 CA CYS A 71 3.425 10.107 2.633 1.00 0.00 C ATOM 1051 C CYS A 71 2.848 10.669 3.949 1.00 0.00 C ATOM 1052 O CYS A 71 1.878 10.142 4.451 1.00 0.00 O ATOM 1053 CB CYS A 71 2.272 9.600 1.766 1.00 0.00 C ATOM 1054 SG CYS A 71 1.347 11.027 1.134 1.00 0.00 S ATOM 0 H CYS A 71 4.101 8.397 3.724 1.00 0.00 H new ATOM 0 HA CYS A 71 3.969 10.890 2.104 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.656 9.002 0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.617 8.953 2.350 1.00 0.00 H new ATOM 1059 N PRO A 72 3.427 11.723 4.505 1.00 0.00 N ATOM 1060 CA PRO A 72 2.914 12.342 5.778 1.00 0.00 C ATOM 1061 C PRO A 72 1.429 12.740 5.707 1.00 0.00 C ATOM 1062 O PRO A 72 1.034 13.778 6.201 1.00 0.00 O ATOM 1063 CB PRO A 72 3.805 13.589 5.896 1.00 0.00 C ATOM 1064 CG PRO A 72 5.050 13.340 5.043 1.00 0.00 C ATOM 1065 CD PRO A 72 4.643 12.374 3.927 1.00 0.00 C ATOM 0 HA PRO A 72 2.960 11.657 6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.273 14.475 5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.081 13.768 6.935 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.425 14.275 4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.852 12.916 5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.422 12.896 2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.428 11.650 3.708 1.00 0.00 H new ATOM 1073 N HIS A 73 0.616 11.952 5.067 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.823 12.307 4.925 1.00 0.00 C ATOM 1075 C HIS A 73 -1.662 11.730 6.070 1.00 0.00 C ATOM 1076 O HIS A 73 -1.920 10.543 6.128 1.00 0.00 O ATOM 1077 CB HIS A 73 -1.330 11.741 3.579 1.00 0.00 C ATOM 1078 CG HIS A 73 -2.018 12.817 2.794 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.372 13.059 2.915 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -1.546 13.723 1.888 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -3.676 14.078 2.098 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -2.596 14.525 1.443 1.00 0.00 N ATOM 0 H HIS A 73 0.887 11.070 4.632 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.924 13.392 4.956 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.494 11.340 3.006 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.018 10.915 3.759 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.518 13.806 1.566 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.669 14.488 1.982 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.552 15.287 0.766 1.00 0.00 H new ATOM 1090 N LYS A 74 -2.141 12.573 6.942 1.00 0.00 N ATOM 1091 CA LYS A 74 -3.023 12.085 8.033 1.00 0.00 C ATOM 1092 C LYS A 74 -4.429 11.997 7.445 1.00 0.00 C ATOM 1093 O LYS A 74 -5.150 12.975 7.393 1.00 0.00 O ATOM 1094 CB LYS A 74 -3.003 13.076 9.196 1.00 0.00 C ATOM 1095 CG LYS A 74 -1.631 13.028 9.871 1.00 0.00 C ATOM 1096 CD LYS A 74 -1.607 13.967 11.083 1.00 0.00 C ATOM 1097 CE LYS A 74 -1.807 15.421 10.636 1.00 0.00 C ATOM 1098 NZ LYS A 74 -1.257 16.337 11.676 1.00 0.00 N ATOM 0 H LYS A 74 -1.959 13.577 6.945 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.692 11.117 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.209 14.084 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.784 12.828 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.408 12.009 10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.857 13.319 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.391 13.685 11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.657 13.869 11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.307 15.592 9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.867 15.623 10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.391 17.324 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.754 16.178 12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.242 16.149 11.803 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.813 10.847 6.964 1.00 0.00 N ATOM 1113 CA VAL A 75 -6.161 10.703 6.333 1.00 0.00 C ATOM 1114 C VAL A 75 -7.167 10.170 7.358 1.00 0.00 C ATOM 1115 O VAL A 75 -6.908 9.218 8.068 1.00 0.00 O ATOM 1116 CB VAL A 75 -6.051 9.725 5.146 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -5.652 10.487 3.877 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.983 8.670 5.451 1.00 0.00 C ATOM 0 H VAL A 75 -4.251 9.996 6.980 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.508 11.674 5.981 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.016 9.243 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.576 9.790 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.407 11.241 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.689 10.973 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.905 7.978 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.022 9.160 5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.261 8.120 6.350 1.00 0.00 H new ATOM 1128 N SER A 76 -8.322 10.779 7.426 1.00 0.00 N ATOM 1129 CA SER A 76 -9.371 10.322 8.386 1.00 0.00 C ATOM 1130 C SER A 76 -10.381 9.447 7.635 1.00 0.00 C ATOM 1131 O SER A 76 -10.506 9.524 6.429 1.00 0.00 O ATOM 1132 CB SER A 76 -10.085 11.540 8.977 1.00 0.00 C ATOM 1133 OG SER A 76 -9.196 12.230 9.846 1.00 0.00 O ATOM 0 H SER A 76 -8.586 11.580 6.853 1.00 0.00 H new ATOM 0 HA SER A 76 -8.914 9.748 9.192 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.419 12.203 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.974 11.225 9.523 1.00 0.00 H new ATOM 0 HG SER A 76 -9.650 13.012 10.225 1.00 0.00 H new ATOM 1139 N ALA A 77 -11.093 8.609 8.335 1.00 0.00 N ATOM 1140 CA ALA A 77 -12.083 7.721 7.660 1.00 0.00 C ATOM 1141 C ALA A 77 -13.148 8.559 6.951 1.00 0.00 C ATOM 1142 O ALA A 77 -13.927 8.047 6.173 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.752 6.821 8.701 1.00 0.00 C ATOM 0 H ALA A 77 -11.033 8.500 9.347 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.565 7.109 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.476 6.171 8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.995 6.212 9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.262 7.438 9.441 1.00 0.00 H new ATOM 1149 N GLY A 78 -13.193 9.841 7.212 1.00 0.00 N ATOM 1150 CA GLY A 78 -14.215 10.718 6.553 1.00 0.00 C ATOM 1151 C GLY A 78 -13.549 11.558 5.460 1.00 0.00 C ATOM 1152 O GLY A 78 -14.154 11.876 4.455 1.00 0.00 O ATOM 0 H GLY A 78 -12.564 10.322 7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.009 10.107 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.680 11.370 7.293 1.00 0.00 H new ATOM 1156 N GLN A 79 -12.310 11.925 5.647 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.603 12.753 4.620 1.00 0.00 C ATOM 1158 C GLN A 79 -10.911 11.840 3.600 1.00 0.00 C ATOM 1159 O GLN A 79 -10.181 10.938 3.959 1.00 0.00 O ATOM 1160 CB GLN A 79 -10.555 13.627 5.318 1.00 0.00 C ATOM 1161 CG GLN A 79 -11.256 14.704 6.152 1.00 0.00 C ATOM 1162 CD GLN A 79 -11.966 15.694 5.227 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -11.378 16.203 4.293 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -13.218 15.987 5.450 1.00 0.00 N ATOM 0 H GLN A 79 -11.753 11.688 6.468 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.325 13.383 4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.922 13.012 5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.904 14.092 4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.976 14.243 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.528 15.228 6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.710 15.559 6.234 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.704 16.644 4.840 1.00 0.00 H new ATOM 1173 N PHE A 80 -11.134 12.077 2.327 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.491 11.238 1.260 1.00 0.00 C ATOM 1175 C PHE A 80 -9.839 12.149 0.222 1.00 0.00 C ATOM 1176 O PHE A 80 -10.252 13.275 0.030 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.543 10.368 0.573 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.090 9.369 1.561 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.404 8.172 1.797 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.280 9.642 2.242 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.913 7.244 2.715 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.788 8.716 3.159 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.104 7.517 3.395 1.00 0.00 C ATOM 0 H PHE A 80 -11.738 12.821 1.978 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.737 10.598 1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.349 10.991 0.185 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.102 9.850 -0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.483 7.964 1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.807 10.567 2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.386 6.319 2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.708 8.926 3.685 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.497 6.802 4.103 1.00 0.00 H new ATOM 1193 N SER A 81 -8.815 11.670 -0.442 1.00 0.00 N ATOM 1194 CA SER A 81 -8.112 12.500 -1.473 1.00 0.00 C ATOM 1195 C SER A 81 -8.148 11.807 -2.842 1.00 0.00 C ATOM 1196 O SER A 81 -8.289 12.450 -3.861 1.00 0.00 O ATOM 1197 CB SER A 81 -6.654 12.683 -1.051 1.00 0.00 C ATOM 1198 OG SER A 81 -6.611 13.180 0.280 1.00 0.00 O ATOM 0 H SER A 81 -8.433 10.733 -0.314 1.00 0.00 H new ATOM 0 HA SER A 81 -8.614 13.464 -1.551 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.123 11.733 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.152 13.375 -1.727 1.00 0.00 H new ATOM 0 HG SER A 81 -5.750 13.621 0.437 1.00 0.00 H new ATOM 1204 N SER A 82 -7.984 10.505 -2.882 1.00 0.00 N ATOM 1205 CA SER A 82 -7.965 9.781 -4.200 1.00 0.00 C ATOM 1206 C SER A 82 -9.313 9.120 -4.516 1.00 0.00 C ATOM 1207 O SER A 82 -9.508 8.606 -5.600 1.00 0.00 O ATOM 1208 CB SER A 82 -6.876 8.708 -4.162 1.00 0.00 C ATOM 1209 OG SER A 82 -6.713 8.155 -5.462 1.00 0.00 O ATOM 0 H SER A 82 -7.862 9.911 -2.062 1.00 0.00 H new ATOM 0 HA SER A 82 -7.764 10.513 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.936 9.140 -3.818 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.146 7.925 -3.453 1.00 0.00 H new ATOM 0 HG SER A 82 -7.587 8.083 -5.899 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.242 9.116 -3.604 1.00 0.00 N ATOM 1216 CA LEU A 83 -11.560 8.470 -3.901 1.00 0.00 C ATOM 1217 C LEU A 83 -12.468 9.465 -4.630 1.00 0.00 C ATOM 1218 O LEU A 83 -13.678 9.391 -4.544 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.233 8.031 -2.595 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.311 7.109 -1.781 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -12.106 6.494 -0.621 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -10.753 5.987 -2.667 1.00 0.00 C ATOM 0 H LEU A 83 -10.153 9.526 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.393 7.597 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.491 8.909 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.165 7.513 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.478 7.696 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.456 5.839 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.487 7.289 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -12.941 5.917 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.103 5.344 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.577 5.397 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.183 6.421 -3.488 1.00 0.00 H new ATOM 1234 N HIS A 84 -11.897 10.390 -5.358 1.00 0.00 N ATOM 1235 CA HIS A 84 -12.739 11.378 -6.097 1.00 0.00 C ATOM 1236 C HIS A 84 -13.358 10.694 -7.310 1.00 0.00 C ATOM 1237 O HIS A 84 -14.506 10.908 -7.645 1.00 0.00 O ATOM 1238 CB HIS A 84 -11.869 12.534 -6.584 1.00 0.00 C ATOM 1239 CG HIS A 84 -11.170 13.155 -5.417 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -11.554 12.905 -4.113 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -10.107 14.017 -5.341 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -10.735 13.602 -3.310 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -9.833 14.301 -4.007 1.00 0.00 N ATOM 0 H HIS A 84 -10.890 10.504 -5.472 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.517 11.756 -5.434 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.140 12.174 -7.310 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -12.484 13.277 -7.092 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.565 14.415 -6.187 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.797 13.599 -2.232 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.102 14.911 -3.640 1.00 0.00 H new ATOM 1251 N VAL A 85 -12.600 9.869 -7.967 1.00 0.00 N ATOM 1252 CA VAL A 85 -13.127 9.160 -9.159 1.00 0.00 C ATOM 1253 C VAL A 85 -14.019 8.013 -8.690 1.00 0.00 C ATOM 1254 O VAL A 85 -13.755 7.387 -7.684 1.00 0.00 O ATOM 1255 CB VAL A 85 -11.956 8.612 -9.974 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.468 8.077 -11.311 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -10.948 9.737 -10.225 1.00 0.00 C ATOM 0 H VAL A 85 -11.632 9.654 -7.728 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.706 9.842 -9.782 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.474 7.804 -9.424 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.632 7.687 -11.891 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.189 7.279 -11.132 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.949 8.883 -11.865 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.110 9.352 -10.806 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.432 10.543 -10.777 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.583 10.118 -9.271 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.084 7.739 -9.395 1.00 0.00 N ATOM 1268 CA ARG A 86 -15.996 6.638 -8.961 1.00 0.00 C ATOM 1269 C ARG A 86 -15.549 5.319 -9.597 1.00 0.00 C ATOM 1270 O ARG A 86 -16.209 4.768 -10.457 1.00 0.00 O ATOM 1271 CB ARG A 86 -17.432 6.962 -9.387 1.00 0.00 C ATOM 1272 CG ARG A 86 -17.954 8.131 -8.546 1.00 0.00 C ATOM 1273 CD ARG A 86 -19.391 8.458 -8.954 1.00 0.00 C ATOM 1274 NE ARG A 86 -19.883 9.611 -8.145 1.00 0.00 N ATOM 1275 CZ ARG A 86 -20.967 10.243 -8.503 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -21.620 9.864 -9.567 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -21.396 11.259 -7.804 1.00 0.00 N ATOM 0 H ARG A 86 -15.362 8.226 -10.247 1.00 0.00 H new ATOM 0 HA ARG A 86 -15.958 6.542 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -17.461 7.219 -10.446 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.070 6.088 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -17.916 7.875 -7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -17.318 9.005 -8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -19.434 8.700 -10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.032 7.590 -8.799 1.00 0.00 H new ATOM 0 HE ARG A 86 -19.372 9.905 -7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -21.283 9.074 -10.118 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -22.468 10.357 -9.848 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -20.883 11.561 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -22.244 11.751 -8.087 1.00 0.00 H new ATOM 1291 N ASP A 87 -14.429 4.808 -9.157 1.00 0.00 N ATOM 1292 CA ASP A 87 -13.913 3.517 -9.695 1.00 0.00 C ATOM 1293 C ASP A 87 -14.586 2.367 -8.953 1.00 0.00 C ATOM 1294 O ASP A 87 -15.328 2.574 -8.017 1.00 0.00 O ATOM 1295 CB ASP A 87 -12.402 3.444 -9.475 1.00 0.00 C ATOM 1296 CG ASP A 87 -11.703 4.417 -10.423 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -12.279 4.724 -11.453 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -10.605 4.839 -10.103 1.00 0.00 O ATOM 0 H ASP A 87 -13.844 5.236 -8.439 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.129 3.448 -10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.162 3.691 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.046 2.429 -9.651 1.00 0.00 H new ATOM 1303 N THR A 88 -14.337 1.153 -9.357 1.00 0.00 N ATOM 1304 CA THR A 88 -14.969 -0.009 -8.664 1.00 0.00 C ATOM 1305 C THR A 88 -14.018 -0.527 -7.583 1.00 0.00 C ATOM 1306 O THR A 88 -12.834 -0.258 -7.605 1.00 0.00 O ATOM 1307 CB THR A 88 -15.233 -1.120 -9.680 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.007 -1.762 -10.002 1.00 0.00 O ATOM 1309 CG2 THR A 88 -15.848 -0.525 -10.949 1.00 0.00 C ATOM 0 H THR A 88 -13.724 0.913 -10.136 1.00 0.00 H new ATOM 0 HA THR A 88 -15.910 0.301 -8.209 1.00 0.00 H new ATOM 0 HB THR A 88 -15.925 -1.845 -9.253 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.173 -2.476 -10.652 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.034 -1.321 -11.670 1.00 0.00 H new ATOM 0 HG22 THR A 88 -16.788 -0.032 -10.701 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.160 0.202 -11.380 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.523 -1.270 -6.633 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.642 -1.803 -5.552 1.00 0.00 C ATOM 1319 C LYS A 89 -13.021 -3.131 -6.008 1.00 0.00 C ATOM 1320 O LYS A 89 -13.575 -3.834 -6.829 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.462 -2.052 -4.282 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.066 -0.742 -3.767 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.878 -1.029 -2.498 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.492 0.266 -1.963 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.445 0.824 -2.965 1.00 0.00 N ATOM 0 H LYS A 89 -15.506 -1.531 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.859 -1.074 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.257 -2.769 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.828 -2.494 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.276 -0.022 -3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.705 -0.297 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.665 -1.751 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.236 -1.477 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.010 0.073 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.707 0.991 -1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.105 1.752 -3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.512 0.178 -3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.383 0.932 -2.529 1.00 0.00 H new ATOM 1339 N ILE A 90 -11.869 -3.476 -5.476 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.188 -4.758 -5.864 1.00 0.00 C ATOM 1341 C ILE A 90 -10.791 -5.535 -4.602 1.00 0.00 C ATOM 1342 O ILE A 90 -10.696 -4.979 -3.526 1.00 0.00 O ATOM 1343 CB ILE A 90 -9.930 -4.438 -6.676 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.042 -3.472 -5.886 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.325 -3.797 -8.007 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -7.776 -3.164 -6.689 1.00 0.00 C ATOM 0 H ILE A 90 -11.367 -2.920 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 90 -11.870 -5.362 -6.462 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.382 -5.360 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.586 -2.551 -5.678 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.777 -3.910 -4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.427 -3.571 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.953 -4.487 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.877 -2.876 -7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.146 -2.476 -6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.229 -4.088 -6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.050 -2.707 -7.640 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.554 -6.818 -4.727 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.157 -7.628 -3.534 1.00 0.00 C ATOM 1360 C GLU A 91 -8.818 -7.119 -2.999 1.00 0.00 C ATOM 1361 O GLU A 91 -7.940 -6.748 -3.752 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.002 -9.100 -3.931 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.372 -9.715 -4.227 1.00 0.00 C ATOM 1364 CD GLU A 91 -12.151 -9.879 -2.921 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -11.523 -9.861 -1.876 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -13.362 -10.019 -2.987 1.00 0.00 O ATOM 0 H GLU A 91 -10.618 -7.338 -5.602 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.927 -7.535 -2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.361 -9.182 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.514 -9.651 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.927 -9.078 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.250 -10.682 -4.714 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.649 -7.095 -1.704 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.358 -6.605 -1.140 1.00 0.00 C ATOM 1375 C VAL A 92 -6.205 -7.459 -1.688 1.00 0.00 C ATOM 1376 O VAL A 92 -5.141 -6.960 -1.995 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.388 -6.708 0.388 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.993 -6.424 0.956 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.382 -5.688 0.949 1.00 0.00 C ATOM 0 H VAL A 92 -9.343 -7.391 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.211 -5.564 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.695 -7.714 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.021 -6.499 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.284 -7.151 0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.681 -5.420 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.404 -5.761 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.075 -4.683 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.376 -5.892 0.552 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.403 -8.745 -1.797 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.314 -9.631 -2.306 1.00 0.00 C ATOM 1391 C ALA A 93 -4.746 -9.070 -3.613 1.00 0.00 C ATOM 1392 O ALA A 93 -3.546 -9.037 -3.813 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.872 -11.034 -2.555 1.00 0.00 C ATOM 0 H ALA A 93 -7.272 -9.222 -1.556 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.518 -9.678 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.077 -11.681 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.265 -11.440 -1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.672 -10.982 -3.293 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.589 -8.628 -4.503 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.085 -8.073 -5.790 1.00 0.00 C ATOM 1401 C GLN A 94 -4.553 -6.662 -5.552 1.00 0.00 C ATOM 1402 O GLN A 94 -3.640 -6.211 -6.215 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.220 -8.036 -6.815 1.00 0.00 C ATOM 1404 CG GLN A 94 -6.723 -9.459 -7.062 1.00 0.00 C ATOM 1405 CD GLN A 94 -5.657 -10.248 -7.823 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -5.020 -9.726 -8.717 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -5.436 -11.494 -7.506 1.00 0.00 N ATOM 0 H GLN A 94 -6.603 -8.627 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.283 -8.704 -6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.034 -7.408 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.869 -7.595 -7.748 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.946 -9.948 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.651 -9.435 -7.634 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.971 -11.932 -6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.729 -12.030 -8.008 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.105 -5.967 -4.601 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.620 -4.593 -4.309 1.00 0.00 C ATOM 1418 C PHE A 95 -3.144 -4.655 -3.921 1.00 0.00 C ATOM 1419 O PHE A 95 -2.323 -3.920 -4.431 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.415 -4.014 -3.141 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.911 -2.631 -2.833 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.837 -2.465 -1.954 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.510 -1.517 -3.429 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.361 -1.184 -1.668 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.034 -0.235 -3.143 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.960 -0.069 -2.263 1.00 0.00 C ATOM 0 H PHE A 95 -5.872 -6.291 -4.012 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.748 -3.965 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.476 -3.980 -3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.314 -4.654 -2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.375 -3.327 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.339 -1.647 -4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.532 -1.054 -0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.495 0.627 -3.601 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.592 0.922 -2.042 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.804 -5.526 -3.010 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.385 -5.638 -2.575 1.00 0.00 C ATOM 1438 C VAL A 96 -0.518 -6.094 -3.751 1.00 0.00 C ATOM 1439 O VAL A 96 0.548 -5.563 -3.991 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.279 -6.666 -1.449 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.181 -6.791 -1.010 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.132 -6.216 -0.264 1.00 0.00 C ATOM 0 H VAL A 96 -3.450 -6.166 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.040 -4.666 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.636 -7.633 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.258 -7.524 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.789 -7.114 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.538 -5.824 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.056 -6.950 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.777 -5.249 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.172 -6.128 -0.577 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.959 -7.087 -4.474 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.149 -7.589 -5.620 1.00 0.00 C ATOM 1454 C LYS A 97 0.071 -6.469 -6.645 1.00 0.00 C ATOM 1455 O LYS A 97 1.175 -6.239 -7.098 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.888 -8.750 -6.288 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.882 -9.967 -5.360 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.622 -11.123 -6.034 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.617 -12.338 -5.108 1.00 0.00 C ATOM 1460 NZ LYS A 97 -2.537 -13.377 -5.649 1.00 0.00 N ATOM 0 H LYS A 97 -1.843 -7.572 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 97 0.820 -7.927 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.914 -8.459 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.411 -9.001 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.143 -10.260 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.360 -9.718 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.647 -10.830 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.144 -11.372 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.607 -12.740 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.930 -12.046 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.534 -14.205 -5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.501 -12.990 -5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.219 -13.662 -6.597 1.00 0.00 H new ATOM 1474 N ASP A 98 -0.966 -5.768 -7.018 1.00 0.00 N ATOM 1475 CA ASP A 98 -0.797 -4.674 -8.016 1.00 0.00 C ATOM 1476 C ASP A 98 0.183 -3.631 -7.474 1.00 0.00 C ATOM 1477 O ASP A 98 1.041 -3.145 -8.183 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.158 -4.026 -8.285 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.032 -4.987 -9.097 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -2.479 -5.877 -9.722 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.240 -4.814 -9.084 1.00 0.00 O ATOM 0 H ASP A 98 -1.917 -5.905 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.400 -5.081 -8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.648 -3.780 -7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.026 -3.091 -8.829 1.00 0.00 H new ATOM 1486 N LEU A 99 0.076 -3.295 -6.219 1.00 0.00 N ATOM 1487 CA LEU A 99 1.015 -2.299 -5.628 1.00 0.00 C ATOM 1488 C LEU A 99 2.441 -2.866 -5.646 1.00 0.00 C ATOM 1489 O LEU A 99 3.403 -2.155 -5.851 1.00 0.00 O ATOM 1490 CB LEU A 99 0.590 -1.994 -4.184 1.00 0.00 C ATOM 1491 CG LEU A 99 1.562 -0.997 -3.528 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.577 0.326 -4.307 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.109 -0.738 -2.086 1.00 0.00 C ATOM 0 H LEU A 99 -0.622 -3.667 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 99 0.990 -1.379 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.420 -1.583 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.563 -2.917 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 99 2.568 -1.417 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.269 1.021 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.897 0.141 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.576 0.757 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.791 -0.033 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.102 -0.322 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.112 -1.675 -1.530 1.00 0.00 H new ATOM 1505 N LEU A 100 2.577 -4.140 -5.403 1.00 0.00 N ATOM 1506 CA LEU A 100 3.931 -4.773 -5.364 1.00 0.00 C ATOM 1507 C LEU A 100 4.698 -4.551 -6.677 1.00 0.00 C ATOM 1508 O LEU A 100 5.864 -4.200 -6.658 1.00 0.00 O ATOM 1509 CB LEU A 100 3.760 -6.277 -5.106 1.00 0.00 C ATOM 1510 CG LEU A 100 5.107 -7.002 -5.211 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.130 -6.352 -4.269 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.910 -8.469 -4.821 1.00 0.00 C ATOM 0 H LEU A 100 1.801 -4.779 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 100 4.512 -4.311 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.333 -6.435 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.058 -6.697 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 100 5.479 -6.934 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.083 -6.874 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.264 -5.306 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.770 -6.414 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.862 -8.995 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.539 -8.527 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.189 -8.931 -5.495 1.00 0.00 H new ATOM 1524 N LEU A 101 4.090 -4.766 -7.815 1.00 0.00 N ATOM 1525 CA LEU A 101 4.857 -4.574 -9.088 1.00 0.00 C ATOM 1526 C LEU A 101 5.345 -3.124 -9.177 1.00 0.00 C ATOM 1527 O LEU A 101 6.450 -2.860 -9.607 1.00 0.00 O ATOM 1528 CB LEU A 101 3.974 -4.873 -10.318 1.00 0.00 C ATOM 1529 CG LEU A 101 3.604 -6.371 -10.434 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.844 -7.266 -10.299 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.572 -6.748 -9.363 1.00 0.00 C ATOM 0 H LEU A 101 3.119 -5.059 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 101 5.702 -5.263 -9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.061 -4.281 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.498 -4.561 -11.221 1.00 0.00 H new ATOM 0 HG LEU A 101 3.174 -6.531 -11.423 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.549 -8.312 -10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.555 -7.023 -11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.309 -7.099 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.321 -7.805 -9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.989 -6.560 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.672 -6.148 -9.497 1.00 0.00 H new ATOM 1543 N HIS A 102 4.538 -2.181 -8.787 1.00 0.00 N ATOM 1544 CA HIS A 102 4.970 -0.755 -8.863 1.00 0.00 C ATOM 1545 C HIS A 102 6.086 -0.466 -7.851 1.00 0.00 C ATOM 1546 O HIS A 102 7.002 0.273 -8.132 1.00 0.00 O ATOM 1547 CB HIS A 102 3.772 0.167 -8.587 1.00 0.00 C ATOM 1548 CG HIS A 102 2.921 0.277 -9.823 1.00 0.00 C ATOM 1549 ND1 HIS A 102 3.128 1.266 -10.772 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.869 -0.470 -10.283 1.00 0.00 C ATOM 1551 CE1 HIS A 102 2.221 1.088 -11.747 1.00 0.00 C ATOM 1552 NE2 HIS A 102 1.426 0.043 -11.499 1.00 0.00 N ATOM 0 H HIS A 102 3.599 -2.332 -8.419 1.00 0.00 H new ATOM 0 HA HIS A 102 5.355 -0.567 -9.865 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.181 -0.227 -7.761 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.122 1.154 -8.286 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.447 -1.327 -9.779 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.144 1.713 -12.624 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.660 -0.304 -12.076 1.00 0.00 H new ATOM 1560 N LEU A 103 6.012 -1.007 -6.669 1.00 0.00 N ATOM 1561 CA LEU A 103 7.071 -0.699 -5.658 1.00 0.00 C ATOM 1562 C LEU A 103 8.451 -1.110 -6.186 1.00 0.00 C ATOM 1563 O LEU A 103 9.388 -0.337 -6.151 1.00 0.00 O ATOM 1564 CB LEU A 103 6.787 -1.466 -4.363 1.00 0.00 C ATOM 1565 CG LEU A 103 5.533 -0.913 -3.669 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.183 -1.821 -2.486 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.776 0.525 -3.168 1.00 0.00 C ATOM 0 H LEU A 103 5.277 -1.641 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 103 7.064 0.374 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.650 -2.524 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.643 -1.389 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 103 4.709 -0.891 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.294 -1.439 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.990 -2.831 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.016 -1.840 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.875 0.897 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.602 0.528 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.023 1.168 -4.013 1.00 0.00 H new ATOM 1579 N LYS A 104 8.594 -2.311 -6.671 1.00 0.00 N ATOM 1580 CA LYS A 104 9.924 -2.743 -7.194 1.00 0.00 C ATOM 1581 C LYS A 104 10.253 -1.975 -8.477 1.00 0.00 C ATOM 1582 O LYS A 104 11.398 -1.850 -8.865 1.00 0.00 O ATOM 1583 CB LYS A 104 9.898 -4.248 -7.479 1.00 0.00 C ATOM 1584 CG LYS A 104 8.852 -4.549 -8.557 1.00 0.00 C ATOM 1585 CD LYS A 104 8.683 -6.068 -8.719 1.00 0.00 C ATOM 1586 CE LYS A 104 8.086 -6.683 -7.444 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.315 -7.909 -7.799 1.00 0.00 N ATOM 0 H LYS A 104 7.854 -3.010 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 104 10.691 -2.531 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.881 -4.583 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.663 -4.797 -6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.898 -4.096 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.157 -4.106 -9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.035 -6.279 -9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.649 -6.526 -8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.881 -6.931 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.436 -5.962 -6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.296 -7.705 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.562 -8.207 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.548 -8.671 -7.131 1.00 0.00 H new ATOM 1601 N LYS A 105 9.252 -1.480 -9.149 1.00 0.00 N ATOM 1602 CA LYS A 105 9.494 -0.742 -10.420 1.00 0.00 C ATOM 1603 C LYS A 105 10.260 0.566 -10.159 1.00 0.00 C ATOM 1604 O LYS A 105 11.251 0.847 -10.803 1.00 0.00 O ATOM 1605 CB LYS A 105 8.143 -0.432 -11.062 1.00 0.00 C ATOM 1606 CG LYS A 105 8.356 0.173 -12.455 1.00 0.00 C ATOM 1607 CD LYS A 105 7.011 0.597 -13.061 1.00 0.00 C ATOM 1608 CE LYS A 105 6.293 -0.616 -13.667 1.00 0.00 C ATOM 1609 NZ LYS A 105 7.157 -1.240 -14.710 1.00 0.00 N ATOM 0 H LYS A 105 8.273 -1.555 -8.872 1.00 0.00 H new ATOM 0 HA LYS A 105 10.100 -1.358 -11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.549 -1.343 -11.138 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.583 0.263 -10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.020 1.035 -12.387 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.843 -0.554 -13.105 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.386 1.052 -12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.173 1.353 -13.829 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.064 -1.343 -12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.343 -0.308 -14.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.561 -1.740 -15.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.704 -0.501 -15.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.809 -1.916 -14.262 1.00 0.00 H new ATOM 1623 N LEU A 106 9.816 1.370 -9.232 1.00 0.00 N ATOM 1624 CA LEU A 106 10.529 2.654 -8.953 1.00 0.00 C ATOM 1625 C LEU A 106 11.969 2.373 -8.498 1.00 0.00 C ATOM 1626 O LEU A 106 12.840 3.209 -8.629 1.00 0.00 O ATOM 1627 CB LEU A 106 9.786 3.444 -7.859 1.00 0.00 C ATOM 1628 CG LEU A 106 8.578 4.208 -8.449 1.00 0.00 C ATOM 1629 CD1 LEU A 106 9.045 5.438 -9.251 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.762 3.288 -9.362 1.00 0.00 C ATOM 0 H LEU A 106 8.993 1.196 -8.656 1.00 0.00 H new ATOM 0 HA LEU A 106 10.553 3.245 -9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.444 2.761 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.470 4.148 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 106 7.955 4.543 -7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.178 5.959 -9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.599 6.110 -8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.689 5.116 -10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.915 3.839 -9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.392 2.934 -10.178 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.398 2.436 -8.788 1.00 0.00 H new ATOM 1642 N PHE A 107 12.225 1.219 -7.947 1.00 0.00 N ATOM 1643 CA PHE A 107 13.607 0.915 -7.466 1.00 0.00 C ATOM 1644 C PHE A 107 14.622 0.983 -8.616 1.00 0.00 C ATOM 1645 O PHE A 107 15.719 1.478 -8.446 1.00 0.00 O ATOM 1646 CB PHE A 107 13.642 -0.487 -6.853 1.00 0.00 C ATOM 1647 CG PHE A 107 15.049 -0.779 -6.383 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.576 -0.090 -5.284 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.829 -1.731 -7.051 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.882 -0.351 -4.855 1.00 0.00 C ATOM 1651 CE2 PHE A 107 17.134 -1.994 -6.620 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.661 -1.303 -5.522 1.00 0.00 C ATOM 0 H PHE A 107 11.542 0.474 -7.808 1.00 0.00 H new ATOM 0 HA PHE A 107 13.876 1.661 -6.718 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.944 -0.551 -6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 107 13.328 -1.228 -7.588 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.974 0.643 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 107 15.423 -2.262 -7.899 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.289 0.183 -4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.735 -2.730 -7.134 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.669 -1.505 -5.190 1.00 0.00 H new ATOM 1662 N ARG A 108 14.286 0.486 -9.775 1.00 0.00 N ATOM 1663 CA ARG A 108 15.263 0.526 -10.906 1.00 0.00 C ATOM 1664 C ARG A 108 15.552 1.974 -11.317 1.00 0.00 C ATOM 1665 O ARG A 108 16.637 2.289 -11.761 1.00 0.00 O ATOM 1666 CB ARG A 108 14.720 -0.256 -12.110 1.00 0.00 C ATOM 1667 CG ARG A 108 14.716 -1.756 -11.792 1.00 0.00 C ATOM 1668 CD ARG A 108 14.419 -2.548 -13.067 1.00 0.00 C ATOM 1669 NE ARG A 108 13.081 -2.156 -13.625 1.00 0.00 N ATOM 1670 CZ ARG A 108 11.974 -2.295 -12.942 1.00 0.00 C ATOM 1671 NH1 ARG A 108 11.973 -2.913 -11.793 1.00 0.00 N ATOM 1672 NH2 ARG A 108 10.851 -1.850 -13.435 1.00 0.00 N ATOM 0 H ARG A 108 13.386 0.057 -9.989 1.00 0.00 H new ATOM 0 HA ARG A 108 16.191 0.063 -10.570 1.00 0.00 H new ATOM 0 HB2 ARG A 108 13.710 0.078 -12.347 1.00 0.00 H new ATOM 0 HB3 ARG A 108 15.335 -0.062 -12.989 1.00 0.00 H new ATOM 0 HG2 ARG A 108 15.681 -2.054 -11.383 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.966 -1.975 -11.032 1.00 0.00 H new ATOM 0 HD2 ARG A 108 15.197 -2.363 -13.807 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.432 -3.616 -12.851 1.00 0.00 H new ATOM 0 HE ARG A 108 13.034 -1.769 -14.567 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.842 -3.294 -11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.104 -3.015 -11.270 1.00 0.00 H new ATOM 0 HH21 ARG A 108 10.839 -1.396 -14.349 1.00 0.00 H new ATOM 0 HH22 ARG A 108 9.985 -1.956 -12.907 1.00 0.00 H new ATOM 1686 N GLU A 109 14.600 2.857 -11.184 1.00 0.00 N ATOM 1687 CA GLU A 109 14.847 4.277 -11.582 1.00 0.00 C ATOM 1688 C GLU A 109 15.522 5.026 -10.429 1.00 0.00 C ATOM 1689 O GLU A 109 16.045 6.108 -10.604 1.00 0.00 O ATOM 1690 CB GLU A 109 13.511 4.946 -11.912 1.00 0.00 C ATOM 1691 CG GLU A 109 12.942 4.342 -13.197 1.00 0.00 C ATOM 1692 CD GLU A 109 11.598 4.997 -13.517 1.00 0.00 C ATOM 1693 OE1 GLU A 109 11.142 5.791 -12.710 1.00 0.00 O ATOM 1694 OE2 GLU A 109 11.042 4.686 -14.558 1.00 0.00 O ATOM 0 H GLU A 109 13.668 2.661 -10.820 1.00 0.00 H new ATOM 0 HA GLU A 109 15.497 4.303 -12.456 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.809 4.806 -11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.650 6.020 -12.033 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.638 4.494 -14.022 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.815 3.266 -13.081 1.00 0.00 H new ATOM 1701 N GLY A 110 15.528 4.458 -9.254 1.00 0.00 N ATOM 1702 CA GLY A 110 16.183 5.140 -8.105 1.00 0.00 C ATOM 1703 C GLY A 110 15.408 6.409 -7.745 1.00 0.00 C ATOM 1704 O GLY A 110 15.801 7.154 -6.871 1.00 0.00 O ATOM 0 H GLY A 110 15.108 3.553 -9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.221 4.470 -7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 110 17.213 5.391 -8.359 1.00 0.00 H new ATOM 1708 N ARG A 111 14.303 6.659 -8.401 1.00 0.00 N ATOM 1709 CA ARG A 111 13.503 7.882 -8.076 1.00 0.00 C ATOM 1710 C ARG A 111 12.445 7.509 -7.042 1.00 0.00 C ATOM 1711 O ARG A 111 11.379 7.030 -7.369 1.00 0.00 O ATOM 1712 CB ARG A 111 12.820 8.415 -9.339 1.00 0.00 C ATOM 1713 CG ARG A 111 13.875 9.002 -10.280 1.00 0.00 C ATOM 1714 CD ARG A 111 13.192 9.614 -11.505 1.00 0.00 C ATOM 1715 NE ARG A 111 14.233 10.082 -12.464 1.00 0.00 N ATOM 1716 CZ ARG A 111 13.905 10.386 -13.689 1.00 0.00 C ATOM 1717 NH1 ARG A 111 12.660 10.317 -14.067 1.00 0.00 N ATOM 1718 NH2 ARG A 111 14.822 10.768 -14.535 1.00 0.00 N ATOM 0 H ARG A 111 13.921 6.074 -9.144 1.00 0.00 H new ATOM 0 HA ARG A 111 14.160 8.657 -7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 111 12.278 7.612 -9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 111 12.088 9.178 -9.075 1.00 0.00 H new ATOM 0 HG2 ARG A 111 14.458 9.762 -9.759 1.00 0.00 H new ATOM 0 HG3 ARG A 111 14.572 8.224 -10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.546 8.877 -11.982 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.557 10.447 -11.204 1.00 0.00 H new ATOM 0 HE ARG A 111 15.204 10.165 -12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.941 10.025 -13.405 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.404 10.555 -15.025 1.00 0.00 H new ATOM 0 HH21 ARG A 111 15.796 10.829 -14.238 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.565 11.006 -15.493 1.00 0.00 H new ATOM 1732 N PHE A 112 12.747 7.707 -5.790 1.00 0.00 N ATOM 1733 CA PHE A 112 11.784 7.348 -4.710 1.00 0.00 C ATOM 1734 C PHE A 112 10.866 8.529 -4.401 1.00 0.00 C ATOM 1735 O PHE A 112 11.254 9.677 -4.501 1.00 0.00 O ATOM 1736 CB PHE A 112 12.581 6.959 -3.469 1.00 0.00 C ATOM 1737 CG PHE A 112 13.569 5.897 -3.873 1.00 0.00 C ATOM 1738 CD1 PHE A 112 13.148 4.572 -3.993 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.900 6.239 -4.151 1.00 0.00 C ATOM 1740 CE1 PHE A 112 14.053 3.584 -4.389 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.807 5.247 -4.545 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.383 3.920 -4.664 1.00 0.00 C ATOM 0 H PHE A 112 13.628 8.106 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 112 11.160 6.514 -5.030 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.098 7.827 -3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.917 6.586 -2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 112 12.122 4.310 -3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.225 7.265 -4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.725 2.559 -4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.834 5.507 -4.757 1.00 0.00 H new ATOM 0 HZ PHE A 112 16.082 3.155 -4.968 1.00 0.00 H new ATOM 1752 N ASN A 113 9.646 8.253 -4.030 1.00 0.00 N ATOM 1753 CA ASN A 113 8.696 9.352 -3.717 1.00 0.00 C ATOM 1754 C ASN A 113 8.682 10.354 -4.874 1.00 0.00 C ATOM 1755 CB ASN A 113 9.134 10.065 -2.436 1.00 0.00 C ATOM 1756 CG ASN A 113 8.904 9.147 -1.236 1.00 0.00 C ATOM 1757 OD1 ASN A 113 7.727 8.609 -1.062 1.00 0.00 O flip ATOM 1758 ND2 ASN A 113 9.801 8.916 -0.450 1.00 0.00 N flip ATOM 1759 OXT ASN A 113 8.015 10.082 -5.859 1.00 0.00 O ATOM 0 H ASN A 113 9.267 7.311 -3.931 1.00 0.00 H new ATOM 0 HA ASN A 113 7.698 8.937 -3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.187 10.338 -2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.572 10.991 -2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.720 9.337 -0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 113 9.635 8.301 0.347 1.00 0.00 H new