USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot -65:sc= 0.264 USER MOD Single : A 10 LYS NZ :NH3+ 166:sc=-0.00153 (180deg=-0.15) USER MOD Single : A 14 SER OG : rot -25:sc= 0.627 USER MOD Single : A 18 LYS NZ :NH3+ 139:sc= -0.235 (180deg=-1.13!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= -0.0107 (180deg=-0.214) USER MOD Single : A 30 LYS NZ :NH3+ -134:sc= -1.72 (180deg=-2.4) USER MOD Single : A 32 GLN : amide:sc= -3.27! K(o=-3.3!,f=-0.63) USER MOD Single : A 35 HIS : no HD1:sc= -0.0772 X(o=-0.077,f=-0.0068) USER MOD Single : A 36 ASN : amide:sc= -2.09! C(o=-2.1!,f=-3.8!) USER MOD Single : A 37 SER OG : rot -79:sc= 0.931 USER MOD Single : A 38 ASN : amide:sc= -1.79 K(o=-1.8,f=-2.7!) USER MOD Single : A 44 GLN : amide:sc= -0.0665 X(o=-0.066,f=-0.34) USER MOD Single : A 47 MET CE :methyl 168:sc= 0 (180deg=-0.00638) USER MOD Single : A 48 HIS : no HD1:sc= -0.647 K(o=-0.65,f=-3.9!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -62:sc= 0.294 USER MOD Single : A 61 GLN : amide:sc= -0.118 K(o=-0.12,f=-1) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -108:sc= -1.39! USER MOD Single : A 68 ASN : amide:sc= -2.05! C(o=-2.1!,f=-3.6!) USER MOD Single : A 75 THR OG1 : rot 61:sc= 0.52 USER MOD Single : A 76 GLN : amide:sc= -0.99 K(o=-0.99,f=-1.8) USER MOD Single : A 79 LYS NZ :NH3+ -148:sc= -0.237 (180deg=-1.47!) USER MOD ----------------------------------------------------------------- ATOM 27 N VAL A 3 -3.451 -14.670 17.943 1.00 0.00 N ATOM 28 CA VAL A 3 -2.566 -15.297 16.967 1.00 0.00 C ATOM 29 C VAL A 3 -1.110 -15.146 17.392 1.00 0.00 C ATOM 30 O VAL A 3 -0.331 -16.097 17.336 1.00 0.00 O ATOM 31 CB VAL A 3 -2.768 -14.657 15.593 1.00 0.00 C ATOM 32 CG1 VAL A 3 -1.768 -15.251 14.599 1.00 0.00 C ATOM 33 CG2 VAL A 3 -4.193 -14.934 15.108 1.00 0.00 C ATOM 0 HA VAL A 3 -2.809 -16.358 16.912 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.610 -13.581 15.667 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.913 -14.794 13.620 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.753 -15.056 14.944 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.925 -16.327 14.524 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.339 -14.478 14.129 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.350 -16.010 15.035 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.907 -14.511 15.815 1.00 0.00 H new ATOM 43 N TRP A 4 -0.750 -13.939 17.815 1.00 0.00 N ATOM 44 CA TRP A 4 0.614 -13.663 18.247 1.00 0.00 C ATOM 45 C TRP A 4 0.846 -14.170 19.667 1.00 0.00 C ATOM 46 O TRP A 4 0.041 -13.928 20.566 1.00 0.00 O ATOM 47 CB TRP A 4 0.874 -12.157 18.190 1.00 0.00 C ATOM 48 CG TRP A 4 -0.214 -11.440 18.924 1.00 0.00 C ATOM 49 CD1 TRP A 4 -1.324 -10.922 18.351 1.00 0.00 C ATOM 50 CD2 TRP A 4 -0.316 -11.155 20.348 1.00 0.00 C ATOM 51 NE1 TRP A 4 -2.103 -10.337 19.334 1.00 0.00 N ATOM 52 CE2 TRP A 4 -1.524 -10.455 20.582 1.00 0.00 C ATOM 53 CE3 TRP A 4 0.513 -11.434 21.450 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -1.894 -10.045 21.863 1.00 0.00 C ATOM 55 CZ3 TRP A 4 0.142 -11.024 22.740 1.00 0.00 C ATOM 56 CH2 TRP A 4 -1.059 -10.331 22.947 1.00 0.00 C ATOM 0 H TRP A 4 -1.381 -13.140 17.868 1.00 0.00 H new ATOM 0 HA TRP A 4 1.301 -14.181 17.579 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.842 -11.926 18.635 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.912 -11.822 17.154 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -1.563 -10.959 17.299 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.995 -9.875 19.158 1.00 0.00 H new ATOM 0 HE3 TRP A 4 1.441 -11.967 21.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -2.820 -9.510 22.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.786 -11.244 23.579 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -1.339 -10.019 23.942 1.00 0.00 H new ATOM 67 N THR A 5 1.959 -14.870 19.857 1.00 0.00 N ATOM 68 CA THR A 5 2.308 -15.407 21.166 1.00 0.00 C ATOM 69 C THR A 5 3.734 -15.950 21.153 1.00 0.00 C ATOM 70 O THR A 5 4.004 -17.036 21.668 1.00 0.00 O ATOM 71 CB THR A 5 1.338 -16.520 21.552 1.00 0.00 C ATOM 72 OG1 THR A 5 1.865 -17.239 22.657 1.00 0.00 O ATOM 73 CG2 THR A 5 1.145 -17.464 20.367 1.00 0.00 C ATOM 0 H THR A 5 2.634 -15.078 19.121 1.00 0.00 H new ATOM 0 HA THR A 5 2.241 -14.603 21.899 1.00 0.00 H new ATOM 0 HB THR A 5 0.375 -16.088 21.826 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.689 -17.696 22.387 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.452 -18.259 20.644 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.741 -16.908 19.521 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.105 -17.900 20.089 1.00 0.00 H new ATOM 81 N PRO A 6 4.648 -15.204 20.583 1.00 0.00 N ATOM 82 CA PRO A 6 6.090 -15.588 20.497 1.00 0.00 C ATOM 83 C PRO A 6 6.712 -15.722 21.880 1.00 0.00 C ATOM 84 O PRO A 6 6.028 -15.577 22.894 1.00 0.00 O ATOM 85 CB PRO A 6 6.727 -14.434 19.700 1.00 0.00 C ATOM 86 CG PRO A 6 5.797 -13.288 19.892 1.00 0.00 C ATOM 87 CD PRO A 6 4.406 -13.900 19.949 1.00 0.00 C ATOM 0 HA PRO A 6 6.241 -16.558 20.023 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.726 -14.201 20.070 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.829 -14.689 18.645 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.026 -12.746 20.810 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.879 -12.574 19.072 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.719 -13.288 20.533 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.971 -14.008 18.955 1.00 0.00 H new ATOM 95 N GLU A 7 8.013 -16.003 21.913 1.00 0.00 N ATOM 96 CA GLU A 7 8.726 -16.148 23.179 1.00 0.00 C ATOM 97 C GLU A 7 8.283 -15.067 24.166 1.00 0.00 C ATOM 98 O GLU A 7 8.494 -15.192 25.371 1.00 0.00 O ATOM 99 CB GLU A 7 10.236 -16.037 22.948 1.00 0.00 C ATOM 100 CG GLU A 7 10.719 -17.251 22.157 1.00 0.00 C ATOM 101 CD GLU A 7 12.210 -17.125 21.861 1.00 0.00 C ATOM 102 OE1 GLU A 7 12.806 -16.162 22.315 1.00 0.00 O ATOM 103 OE2 GLU A 7 12.735 -17.993 21.183 1.00 0.00 O ATOM 0 H GLU A 7 8.591 -16.134 21.083 1.00 0.00 H new ATOM 0 HA GLU A 7 8.494 -17.129 23.595 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.465 -15.120 22.405 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.758 -15.980 23.903 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.529 -18.163 22.723 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.161 -17.333 21.224 1.00 0.00 H new ATOM 110 N VAL A 8 7.666 -14.008 23.645 1.00 0.00 N ATOM 111 CA VAL A 8 7.201 -12.923 24.494 1.00 0.00 C ATOM 112 C VAL A 8 6.199 -13.459 25.509 1.00 0.00 C ATOM 113 O VAL A 8 6.317 -13.200 26.705 1.00 0.00 O ATOM 114 CB VAL A 8 6.522 -11.851 23.636 1.00 0.00 C ATOM 115 CG1 VAL A 8 5.964 -10.746 24.533 1.00 0.00 C ATOM 116 CG2 VAL A 8 7.538 -11.256 22.659 1.00 0.00 C ATOM 0 H VAL A 8 7.480 -13.882 22.650 1.00 0.00 H new ATOM 0 HA VAL A 8 8.054 -12.488 25.016 1.00 0.00 H new ATOM 0 HB VAL A 8 5.704 -12.305 23.076 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.482 -9.986 23.918 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.234 -11.171 25.222 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.777 -10.292 25.100 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.053 -10.494 22.049 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.359 -10.806 23.217 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.926 -12.044 22.013 1.00 0.00 H new ATOM 126 N LEU A 9 5.219 -14.216 25.027 1.00 0.00 N ATOM 127 CA LEU A 9 4.216 -14.787 25.913 1.00 0.00 C ATOM 128 C LEU A 9 4.880 -15.800 26.851 1.00 0.00 C ATOM 129 O LEU A 9 4.589 -15.856 28.045 1.00 0.00 O ATOM 130 CB LEU A 9 3.108 -15.467 25.088 1.00 0.00 C ATOM 131 CG LEU A 9 1.781 -15.441 25.862 1.00 0.00 C ATOM 132 CD1 LEU A 9 0.682 -16.078 25.012 1.00 0.00 C ATOM 133 CD2 LEU A 9 1.923 -16.197 27.193 1.00 0.00 C ATOM 0 H LEU A 9 5.100 -14.445 24.040 1.00 0.00 H new ATOM 0 HA LEU A 9 3.765 -13.993 26.508 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.990 -14.956 24.132 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.389 -16.497 24.867 1.00 0.00 H new ATOM 0 HG LEU A 9 1.516 -14.406 26.079 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.259 -16.060 25.561 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.571 -15.519 24.083 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.950 -17.110 24.785 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.975 -16.170 27.730 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.199 -17.233 26.995 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.697 -15.725 27.799 1.00 0.00 H new ATOM 145 N LYS A 10 5.787 -16.594 26.294 1.00 0.00 N ATOM 146 CA LYS A 10 6.488 -17.599 27.081 1.00 0.00 C ATOM 147 C LYS A 10 7.207 -16.941 28.247 1.00 0.00 C ATOM 148 O LYS A 10 7.183 -17.449 29.367 1.00 0.00 O ATOM 149 CB LYS A 10 7.500 -18.348 26.208 1.00 0.00 C ATOM 150 CG LYS A 10 8.178 -19.439 27.026 1.00 0.00 C ATOM 151 CD LYS A 10 9.094 -20.249 26.109 1.00 0.00 C ATOM 152 CE LYS A 10 10.015 -21.107 26.960 1.00 0.00 C ATOM 153 NZ LYS A 10 9.216 -22.096 27.741 1.00 0.00 N ATOM 0 H LYS A 10 6.052 -16.562 25.310 1.00 0.00 H new ATOM 0 HA LYS A 10 5.757 -18.310 27.465 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.997 -18.786 25.346 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.246 -17.653 25.822 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.754 -18.997 27.839 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.430 -20.089 27.481 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.501 -20.878 25.445 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.679 -19.581 25.477 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.731 -21.627 26.324 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.590 -20.476 27.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.849 -22.824 28.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.727 -21.610 28.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.514 -22.545 27.118 1.00 0.00 H new ATOM 167 N ALA A 11 7.839 -15.806 27.980 1.00 0.00 N ATOM 168 CA ALA A 11 8.552 -15.085 29.023 1.00 0.00 C ATOM 169 C ALA A 11 7.584 -14.661 30.121 1.00 0.00 C ATOM 170 O ALA A 11 7.882 -14.784 31.308 1.00 0.00 O ATOM 171 CB ALA A 11 9.234 -13.849 28.430 1.00 0.00 C ATOM 0 H ALA A 11 7.872 -15.369 27.059 1.00 0.00 H new ATOM 0 HA ALA A 11 9.309 -15.742 29.451 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.766 -13.314 29.217 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.941 -14.158 27.660 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.482 -13.194 27.991 1.00 0.00 H new ATOM 177 N ARG A 12 6.421 -14.164 29.714 1.00 0.00 N ATOM 178 CA ARG A 12 5.414 -13.730 30.672 1.00 0.00 C ATOM 179 C ARG A 12 4.886 -14.920 31.458 1.00 0.00 C ATOM 180 O ARG A 12 4.712 -14.847 32.674 1.00 0.00 O ATOM 181 CB ARG A 12 4.261 -13.051 29.926 1.00 0.00 C ATOM 182 CG ARG A 12 4.713 -11.685 29.375 1.00 0.00 C ATOM 183 CD ARG A 12 4.575 -10.604 30.454 1.00 0.00 C ATOM 184 NE ARG A 12 5.068 -9.330 29.958 1.00 0.00 N ATOM 185 CZ ARG A 12 5.043 -8.248 30.723 1.00 0.00 C ATOM 186 NH1 ARG A 12 4.574 -8.320 31.940 1.00 0.00 N ATOM 187 NH2 ARG A 12 5.487 -7.113 30.261 1.00 0.00 N ATOM 0 H ARG A 12 6.155 -14.053 28.736 1.00 0.00 H new ATOM 0 HA ARG A 12 5.866 -13.024 31.368 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.923 -13.687 29.108 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.413 -12.918 30.597 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.749 -11.745 29.041 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.112 -11.419 28.505 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.530 -10.507 30.750 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.133 -10.896 31.344 1.00 0.00 H new ATOM 0 HE ARG A 12 5.438 -9.268 29.009 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.227 -9.209 32.301 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.555 -7.488 32.529 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.854 -7.058 29.311 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.468 -6.280 30.850 1.00 0.00 H new ATOM 201 N ALA A 13 4.640 -16.018 30.756 1.00 0.00 N ATOM 202 CA ALA A 13 4.142 -17.224 31.400 1.00 0.00 C ATOM 203 C ALA A 13 5.218 -17.822 32.295 1.00 0.00 C ATOM 204 O ALA A 13 4.938 -18.285 33.401 1.00 0.00 O ATOM 205 CB ALA A 13 3.725 -18.248 30.344 1.00 0.00 C ATOM 0 H ALA A 13 4.776 -16.098 29.748 1.00 0.00 H new ATOM 0 HA ALA A 13 3.276 -16.963 32.008 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.354 -19.147 30.836 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.939 -17.826 29.718 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.585 -18.502 29.724 1.00 0.00 H new ATOM 211 N SER A 14 6.456 -17.800 31.808 1.00 0.00 N ATOM 212 CA SER A 14 7.583 -18.333 32.564 1.00 0.00 C ATOM 213 C SER A 14 8.119 -17.280 33.524 1.00 0.00 C ATOM 214 O SER A 14 9.022 -17.552 34.314 1.00 0.00 O ATOM 215 CB SER A 14 8.694 -18.772 31.610 1.00 0.00 C ATOM 216 OG SER A 14 9.764 -19.329 32.362 1.00 0.00 O ATOM 0 H SER A 14 6.703 -17.419 30.895 1.00 0.00 H new ATOM 0 HA SER A 14 7.241 -19.195 33.137 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.312 -19.506 30.901 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.047 -17.921 31.028 1.00 0.00 H new ATOM 0 HG SER A 14 9.748 -18.966 33.272 1.00 0.00 H new ATOM 222 N VAL A 15 7.551 -16.079 33.447 1.00 0.00 N ATOM 223 CA VAL A 15 7.971 -14.981 34.310 1.00 0.00 C ATOM 224 C VAL A 15 9.439 -14.644 34.074 1.00 0.00 C ATOM 225 O VAL A 15 9.762 -13.593 33.521 1.00 0.00 O ATOM 226 CB VAL A 15 7.764 -15.358 35.779 1.00 0.00 C ATOM 227 CG1 VAL A 15 7.841 -14.101 36.648 1.00 0.00 C ATOM 228 CG2 VAL A 15 6.389 -16.010 35.947 1.00 0.00 C ATOM 0 H VAL A 15 6.801 -15.843 32.797 1.00 0.00 H new ATOM 0 HA VAL A 15 7.365 -14.107 34.071 1.00 0.00 H new ATOM 0 HB VAL A 15 8.541 -16.058 36.087 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.693 -14.372 37.693 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.819 -13.635 36.528 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.065 -13.399 36.342 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.239 -16.279 36.993 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.614 -15.309 35.638 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.334 -16.907 35.330 1.00 0.00 H new ATOM 238 N ILE A 16 10.328 -15.540 34.500 1.00 0.00 N ATOM 239 CA ILE A 16 11.765 -15.330 34.335 1.00 0.00 C ATOM 240 C ILE A 16 12.280 -16.103 33.130 1.00 0.00 C ATOM 241 O ILE A 16 12.070 -17.311 33.014 1.00 0.00 O ATOM 242 CB ILE A 16 12.502 -15.786 35.597 1.00 0.00 C ATOM 243 CG1 ILE A 16 11.863 -15.126 36.828 1.00 0.00 C ATOM 244 CG2 ILE A 16 13.973 -15.380 35.506 1.00 0.00 C ATOM 245 CD1 ILE A 16 11.829 -13.597 36.668 1.00 0.00 C ATOM 0 H ILE A 16 10.079 -16.416 34.961 1.00 0.00 H new ATOM 0 HA ILE A 16 11.948 -14.268 34.173 1.00 0.00 H new ATOM 0 HB ILE A 16 12.431 -16.870 35.687 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.850 -15.505 36.966 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.427 -15.391 37.723 1.00 0.00 H new ATOM 0 HG21 ILE A 16 14.496 -15.705 36.405 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.426 -15.849 34.633 1.00 0.00 H new ATOM 0 HG23 ILE A 16 14.046 -14.296 35.415 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.373 -13.149 37.551 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.846 -13.220 36.554 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.245 -13.336 35.786 1.00 0.00 H new ATOM 257 N GLY A 17 12.955 -15.390 32.235 1.00 0.00 N ATOM 258 CA GLY A 17 13.498 -16.004 31.033 1.00 0.00 C ATOM 259 C GLY A 17 14.494 -17.085 31.392 1.00 0.00 C ATOM 260 O GLY A 17 15.136 -17.020 32.443 1.00 0.00 O ATOM 0 H GLY A 17 13.138 -14.390 32.320 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.690 -16.429 30.438 1.00 0.00 H new ATOM 0 HA3 GLY A 17 13.982 -15.246 30.417 1.00 0.00 H new ATOM 264 N LYS A 18 14.621 -18.086 30.521 1.00 0.00 N ATOM 265 CA LYS A 18 15.551 -19.187 30.765 1.00 0.00 C ATOM 266 C LYS A 18 16.409 -19.454 29.527 1.00 0.00 C ATOM 267 O LYS A 18 16.055 -19.049 28.417 1.00 0.00 O ATOM 268 CB LYS A 18 14.765 -20.461 31.154 1.00 0.00 C ATOM 269 CG LYS A 18 14.699 -20.586 32.679 1.00 0.00 C ATOM 270 CD LYS A 18 13.899 -21.828 33.053 1.00 0.00 C ATOM 271 CE LYS A 18 13.632 -21.821 34.557 1.00 0.00 C ATOM 272 NZ LYS A 18 12.858 -20.599 34.916 1.00 0.00 N ATOM 0 H LYS A 18 14.097 -18.157 29.649 1.00 0.00 H new ATOM 0 HA LYS A 18 16.212 -18.909 31.586 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.758 -20.418 30.740 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.248 -21.341 30.729 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.705 -20.650 33.093 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.234 -19.698 33.108 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.957 -21.847 32.505 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.449 -22.727 32.774 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.076 -22.714 34.843 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.574 -21.842 35.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.126 -20.844 35.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.500 -19.889 35.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.407 -20.210 34.063 1.00 0.00 H new ATOM 286 N PRO A 19 17.519 -20.135 29.699 1.00 0.00 N ATOM 287 CA PRO A 19 18.429 -20.477 28.566 1.00 0.00 C ATOM 288 C PRO A 19 17.705 -21.243 27.458 1.00 0.00 C ATOM 289 O PRO A 19 16.803 -22.039 27.723 1.00 0.00 O ATOM 290 CB PRO A 19 19.523 -21.350 29.220 1.00 0.00 C ATOM 291 CG PRO A 19 19.480 -21.023 30.677 1.00 0.00 C ATOM 292 CD PRO A 19 18.036 -20.652 30.987 1.00 0.00 C ATOM 0 HA PRO A 19 18.828 -19.587 28.079 1.00 0.00 H new ATOM 0 HB2 PRO A 19 19.332 -22.410 29.050 1.00 0.00 H new ATOM 0 HB3 PRO A 19 20.504 -21.131 28.798 1.00 0.00 H new ATOM 0 HG2 PRO A 19 19.800 -21.875 31.277 1.00 0.00 H new ATOM 0 HG3 PRO A 19 20.153 -20.198 30.911 1.00 0.00 H new ATOM 0 HD2 PRO A 19 17.466 -21.516 31.329 1.00 0.00 H new ATOM 0 HD3 PRO A 19 17.976 -19.899 31.773 1.00 0.00 H new ATOM 300 N ILE A 20 18.109 -20.995 26.218 1.00 0.00 N ATOM 301 CA ILE A 20 17.497 -21.664 25.080 1.00 0.00 C ATOM 302 C ILE A 20 17.584 -23.177 25.245 1.00 0.00 C ATOM 303 O ILE A 20 18.652 -23.719 25.534 1.00 0.00 O ATOM 304 CB ILE A 20 18.211 -21.248 23.788 1.00 0.00 C ATOM 305 CG1 ILE A 20 19.710 -21.653 23.864 1.00 0.00 C ATOM 306 CG2 ILE A 20 18.083 -19.730 23.608 1.00 0.00 C ATOM 307 CD1 ILE A 20 19.959 -22.928 23.051 1.00 0.00 C ATOM 0 H ILE A 20 18.853 -20.340 25.977 1.00 0.00 H new ATOM 0 HA ILE A 20 16.448 -21.373 25.027 1.00 0.00 H new ATOM 0 HB ILE A 20 17.754 -21.752 22.936 1.00 0.00 H new ATOM 0 HG12 ILE A 20 20.332 -20.843 23.483 1.00 0.00 H new ATOM 0 HG13 ILE A 20 19.998 -21.814 24.903 1.00 0.00 H new ATOM 0 HG21 ILE A 20 18.589 -19.428 22.691 1.00 0.00 H new ATOM 0 HG22 ILE A 20 17.029 -19.458 23.547 1.00 0.00 H new ATOM 0 HG23 ILE A 20 18.540 -19.223 24.458 1.00 0.00 H new ATOM 0 HD11 ILE A 20 21.013 -23.199 23.114 1.00 0.00 H new ATOM 0 HD12 ILE A 20 19.351 -23.739 23.451 1.00 0.00 H new ATOM 0 HD13 ILE A 20 19.691 -22.753 22.009 1.00 0.00 H new ATOM 319 N GLY A 21 16.456 -23.854 25.056 1.00 0.00 N ATOM 320 CA GLY A 21 16.411 -25.310 25.184 1.00 0.00 C ATOM 321 C GLY A 21 16.756 -25.980 23.862 1.00 0.00 C ATOM 322 O GLY A 21 15.980 -25.918 22.907 1.00 0.00 O ATOM 0 H GLY A 21 15.564 -23.422 24.815 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.111 -25.634 25.954 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.417 -25.621 25.506 1.00 0.00 H new ATOM 326 N GLU A 22 17.917 -26.628 23.813 1.00 0.00 N ATOM 327 CA GLU A 22 18.350 -27.315 22.600 1.00 0.00 C ATOM 328 C GLU A 22 18.061 -26.467 21.366 1.00 0.00 C ATOM 329 O GLU A 22 17.730 -25.286 21.473 1.00 0.00 O ATOM 330 CB GLU A 22 17.635 -28.659 22.479 1.00 0.00 C ATOM 331 CG GLU A 22 18.113 -29.625 23.577 1.00 0.00 C ATOM 332 CD GLU A 22 17.404 -29.328 24.895 1.00 0.00 C ATOM 333 OE1 GLU A 22 16.663 -28.361 24.940 1.00 0.00 O ATOM 334 OE2 GLU A 22 17.617 -30.071 25.840 1.00 0.00 O ATOM 0 H GLU A 22 18.571 -26.692 24.593 1.00 0.00 H new ATOM 0 HA GLU A 22 19.425 -27.480 22.665 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.558 -28.513 22.559 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.826 -29.092 21.497 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.917 -30.654 23.275 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.191 -29.531 23.708 1.00 0.00 H new ATOM 341 N SER A 23 18.194 -27.076 20.194 1.00 0.00 N ATOM 342 CA SER A 23 17.941 -26.367 18.947 1.00 0.00 C ATOM 343 C SER A 23 16.445 -26.294 18.669 1.00 0.00 C ATOM 344 O SER A 23 15.991 -25.470 17.874 1.00 0.00 O ATOM 345 CB SER A 23 18.647 -27.072 17.792 1.00 0.00 C ATOM 346 OG SER A 23 20.053 -26.949 17.958 1.00 0.00 O ATOM 0 H SER A 23 18.473 -28.051 20.081 1.00 0.00 H new ATOM 0 HA SER A 23 18.330 -25.353 19.041 1.00 0.00 H new ATOM 0 HB2 SER A 23 18.363 -28.124 17.764 1.00 0.00 H new ATOM 0 HB3 SER A 23 18.341 -26.634 16.842 1.00 0.00 H new ATOM 0 HG SER A 23 20.510 -27.402 17.219 1.00 0.00 H new ATOM 352 N TYR A 24 15.682 -27.160 19.329 1.00 0.00 N ATOM 353 CA TYR A 24 14.236 -27.181 19.143 1.00 0.00 C ATOM 354 C TYR A 24 13.662 -25.782 19.318 1.00 0.00 C ATOM 355 O TYR A 24 12.500 -25.541 19.008 1.00 0.00 O ATOM 356 CB TYR A 24 13.585 -28.139 20.148 1.00 0.00 C ATOM 357 CG TYR A 24 13.806 -29.566 19.706 1.00 0.00 C ATOM 358 CD1 TYR A 24 14.952 -30.257 20.116 1.00 0.00 C ATOM 359 CD2 TYR A 24 12.867 -30.194 18.880 1.00 0.00 C ATOM 360 CE1 TYR A 24 15.156 -31.579 19.704 1.00 0.00 C ATOM 361 CE2 TYR A 24 13.070 -31.516 18.468 1.00 0.00 C ATOM 362 CZ TYR A 24 14.217 -32.208 18.877 1.00 0.00 C ATOM 363 OH TYR A 24 14.419 -33.511 18.470 1.00 0.00 O ATOM 0 H TYR A 24 16.037 -27.850 19.991 1.00 0.00 H new ATOM 0 HA TYR A 24 14.022 -27.528 18.132 1.00 0.00 H new ATOM 0 HB2 TYR A 24 14.010 -27.985 21.140 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.517 -27.932 20.223 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.678 -29.770 20.750 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.985 -29.658 18.560 1.00 0.00 H new ATOM 0 HE1 TYR A 24 16.038 -32.114 20.024 1.00 0.00 H new ATOM 0 HE2 TYR A 24 12.343 -32.002 17.835 1.00 0.00 H new ATOM 0 HH TYR A 24 13.673 -33.796 17.902 1.00 0.00 H new ATOM 373 N LYS A 25 14.486 -24.867 19.813 1.00 0.00 N ATOM 374 CA LYS A 25 14.045 -23.494 20.022 1.00 0.00 C ATOM 375 C LYS A 25 13.507 -22.903 18.723 1.00 0.00 C ATOM 376 O LYS A 25 12.946 -21.807 18.709 1.00 0.00 O ATOM 377 CB LYS A 25 15.218 -22.647 20.528 1.00 0.00 C ATOM 378 CG LYS A 25 16.275 -22.500 19.425 1.00 0.00 C ATOM 379 CD LYS A 25 17.496 -21.767 19.983 1.00 0.00 C ATOM 380 CE LYS A 25 18.465 -21.455 18.841 1.00 0.00 C ATOM 381 NZ LYS A 25 19.014 -22.726 18.291 1.00 0.00 N ATOM 0 H LYS A 25 15.455 -25.048 20.075 1.00 0.00 H new ATOM 0 HA LYS A 25 13.247 -23.492 20.764 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.861 -21.664 20.834 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.661 -23.114 21.408 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.566 -23.482 19.052 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.861 -21.949 18.581 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.187 -20.845 20.475 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.990 -22.381 20.737 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.952 -20.899 18.056 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.276 -20.822 19.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.815 -22.515 17.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.337 -23.331 19.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.273 -23.220 17.754 1.00 0.00 H new ATOM 395 N ARG A 26 13.684 -23.642 17.634 1.00 0.00 N ATOM 396 CA ARG A 26 13.220 -23.195 16.330 1.00 0.00 C ATOM 397 C ARG A 26 11.705 -23.071 16.325 1.00 0.00 C ATOM 398 O ARG A 26 11.148 -22.188 15.674 1.00 0.00 O ATOM 399 CB ARG A 26 13.668 -24.176 15.246 1.00 0.00 C ATOM 400 CG ARG A 26 13.263 -23.638 13.869 1.00 0.00 C ATOM 401 CD ARG A 26 13.754 -24.592 12.781 1.00 0.00 C ATOM 402 NE ARG A 26 13.071 -25.875 12.893 1.00 0.00 N ATOM 403 CZ ARG A 26 13.420 -26.910 12.136 1.00 0.00 C ATOM 404 NH1 ARG A 26 14.395 -26.789 11.276 1.00 0.00 N ATOM 405 NH2 ARG A 26 12.790 -28.046 12.254 1.00 0.00 N ATOM 0 H ARG A 26 14.145 -24.552 17.630 1.00 0.00 H new ATOM 0 HA ARG A 26 13.654 -22.217 16.122 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.748 -24.315 15.290 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.214 -25.153 15.414 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.180 -23.533 13.813 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.688 -22.646 13.716 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.572 -24.159 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.831 -24.735 12.871 1.00 0.00 H new ATOM 0 HE ARG A 26 12.311 -25.980 13.565 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.888 -25.901 11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.664 -27.583 10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.030 -28.140 12.927 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.058 -28.840 11.673 1.00 0.00 H new ATOM 419 N ILE A 27 11.042 -23.965 17.046 1.00 0.00 N ATOM 420 CA ILE A 27 9.591 -23.944 17.103 1.00 0.00 C ATOM 421 C ILE A 27 9.096 -22.606 17.636 1.00 0.00 C ATOM 422 O ILE A 27 8.188 -21.996 17.070 1.00 0.00 O ATOM 423 CB ILE A 27 9.097 -25.068 18.015 1.00 0.00 C ATOM 424 CG1 ILE A 27 7.567 -25.146 17.954 1.00 0.00 C ATOM 425 CG2 ILE A 27 9.528 -24.801 19.461 1.00 0.00 C ATOM 426 CD1 ILE A 27 7.064 -26.390 18.703 1.00 0.00 C ATOM 0 H ILE A 27 11.482 -24.705 17.593 1.00 0.00 H new ATOM 0 HA ILE A 27 9.201 -24.088 16.095 1.00 0.00 H new ATOM 0 HB ILE A 27 9.529 -26.010 17.677 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.133 -24.248 18.394 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.239 -25.182 16.915 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.171 -25.607 20.102 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.616 -24.750 19.513 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.104 -23.855 19.798 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.976 -26.431 18.651 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.483 -27.285 18.244 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.375 -26.337 19.746 1.00 0.00 H new ATOM 438 N LEU A 28 9.703 -22.152 18.720 1.00 0.00 N ATOM 439 CA LEU A 28 9.325 -20.885 19.321 1.00 0.00 C ATOM 440 C LEU A 28 9.586 -19.739 18.349 1.00 0.00 C ATOM 441 O LEU A 28 8.764 -18.834 18.205 1.00 0.00 O ATOM 442 CB LEU A 28 10.135 -20.668 20.611 1.00 0.00 C ATOM 443 CG LEU A 28 9.486 -21.433 21.786 1.00 0.00 C ATOM 444 CD1 LEU A 28 10.548 -21.776 22.834 1.00 0.00 C ATOM 445 CD2 LEU A 28 8.395 -20.561 22.432 1.00 0.00 C ATOM 0 H LEU A 28 10.458 -22.641 19.201 1.00 0.00 H new ATOM 0 HA LEU A 28 8.261 -20.907 19.557 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.160 -21.010 20.467 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.184 -19.604 20.843 1.00 0.00 H new ATOM 0 HG LEU A 28 9.041 -22.354 21.408 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.084 -22.315 23.660 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.318 -22.400 22.381 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.999 -20.857 23.209 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.939 -21.103 23.260 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.840 -19.638 22.804 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.632 -20.324 21.690 1.00 0.00 H new ATOM 457 N ALA A 29 10.733 -19.788 17.686 1.00 0.00 N ATOM 458 CA ALA A 29 11.095 -18.750 16.733 1.00 0.00 C ATOM 459 C ALA A 29 10.209 -18.836 15.501 1.00 0.00 C ATOM 460 O ALA A 29 10.088 -17.878 14.738 1.00 0.00 O ATOM 461 CB ALA A 29 12.563 -18.896 16.331 1.00 0.00 C ATOM 0 H ALA A 29 11.424 -20.531 17.790 1.00 0.00 H new ATOM 0 HA ALA A 29 10.951 -17.777 17.203 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.824 -18.115 15.617 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.193 -18.805 17.216 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.719 -19.873 15.873 1.00 0.00 H new ATOM 467 N LYS A 30 9.592 -19.993 15.311 1.00 0.00 N ATOM 468 CA LYS A 30 8.718 -20.202 14.166 1.00 0.00 C ATOM 469 C LYS A 30 7.528 -19.256 14.225 1.00 0.00 C ATOM 470 O LYS A 30 6.972 -18.877 13.195 1.00 0.00 O ATOM 471 CB LYS A 30 8.225 -21.652 14.126 1.00 0.00 C ATOM 472 CG LYS A 30 7.728 -22.014 12.694 1.00 0.00 C ATOM 473 CD LYS A 30 8.736 -22.935 11.992 1.00 0.00 C ATOM 474 CE LYS A 30 10.027 -22.160 11.713 1.00 0.00 C ATOM 475 NZ LYS A 30 9.713 -20.937 10.918 1.00 0.00 N ATOM 0 H LYS A 30 9.680 -20.798 15.931 1.00 0.00 H new ATOM 0 HA LYS A 30 9.289 -19.997 13.260 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.030 -22.325 14.420 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.417 -21.789 14.844 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.757 -22.506 12.753 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.590 -21.104 12.110 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.948 -23.803 12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.315 -23.309 11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.507 -21.883 12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.731 -22.789 11.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.390 -20.850 10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.748 -21.009 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.782 -20.098 11.529 1.00 0.00 H new ATOM 489 N LEU A 31 7.140 -18.887 15.436 1.00 0.00 N ATOM 490 CA LEU A 31 6.010 -17.991 15.625 1.00 0.00 C ATOM 491 C LEU A 31 6.278 -16.661 14.932 1.00 0.00 C ATOM 492 O LEU A 31 5.388 -16.084 14.307 1.00 0.00 O ATOM 493 CB LEU A 31 5.778 -17.763 17.129 1.00 0.00 C ATOM 494 CG LEU A 31 4.947 -18.911 17.706 1.00 0.00 C ATOM 495 CD1 LEU A 31 5.593 -20.254 17.341 1.00 0.00 C ATOM 496 CD2 LEU A 31 4.879 -18.777 19.228 1.00 0.00 C ATOM 0 H LEU A 31 7.589 -19.193 16.299 1.00 0.00 H new ATOM 0 HA LEU A 31 5.118 -18.441 15.189 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.734 -17.698 17.648 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.264 -16.815 17.287 1.00 0.00 H new ATOM 0 HG LEU A 31 3.940 -18.870 17.290 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.998 -21.068 17.754 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.640 -20.353 16.256 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.601 -20.297 17.753 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.287 -19.595 19.639 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.887 -18.815 19.642 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.415 -17.826 19.489 1.00 0.00 H new ATOM 508 N GLN A 32 7.510 -16.184 15.041 1.00 0.00 N ATOM 509 CA GLN A 32 7.880 -14.924 14.414 1.00 0.00 C ATOM 510 C GLN A 32 7.627 -14.983 12.912 1.00 0.00 C ATOM 511 O GLN A 32 7.081 -14.047 12.328 1.00 0.00 O ATOM 512 CB GLN A 32 9.358 -14.631 14.677 1.00 0.00 C ATOM 513 CG GLN A 32 9.560 -14.276 16.153 1.00 0.00 C ATOM 514 CD GLN A 32 8.920 -12.926 16.456 1.00 0.00 C ATOM 515 OE1 GLN A 32 9.118 -11.964 15.714 1.00 0.00 O ATOM 516 NE2 GLN A 32 8.165 -12.793 17.510 1.00 0.00 N ATOM 0 H GLN A 32 8.263 -16.645 15.552 1.00 0.00 H new ATOM 0 HA GLN A 32 7.270 -14.128 14.841 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.963 -15.499 14.416 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.693 -13.808 14.046 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.119 -15.047 16.785 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.624 -14.244 16.386 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.002 -13.591 18.124 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.738 -11.891 17.721 1.00 0.00 H new ATOM 525 N ARG A 33 8.021 -16.090 12.292 1.00 0.00 N ATOM 526 CA ARG A 33 7.824 -16.259 10.858 1.00 0.00 C ATOM 527 C ARG A 33 6.341 -16.415 10.543 1.00 0.00 C ATOM 528 O ARG A 33 5.836 -15.847 9.574 1.00 0.00 O ATOM 529 CB ARG A 33 8.589 -17.485 10.359 1.00 0.00 C ATOM 530 CG ARG A 33 8.445 -17.592 8.840 1.00 0.00 C ATOM 531 CD ARG A 33 9.314 -18.740 8.323 1.00 0.00 C ATOM 532 NE ARG A 33 10.726 -18.431 8.515 1.00 0.00 N ATOM 533 CZ ARG A 33 11.672 -19.297 8.169 1.00 0.00 C ATOM 534 NH1 ARG A 33 11.342 -20.450 7.657 1.00 0.00 N ATOM 535 NH2 ARG A 33 12.929 -18.995 8.344 1.00 0.00 N ATOM 0 H ARG A 33 8.475 -16.877 12.756 1.00 0.00 H new ATOM 0 HA ARG A 33 8.204 -15.372 10.351 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.642 -17.406 10.631 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.204 -18.386 10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.402 -17.764 8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.744 -16.655 8.369 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.062 -19.661 8.848 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.112 -18.910 7.265 1.00 0.00 H new ATOM 0 HE ARG A 33 10.992 -17.534 8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.359 -20.686 7.523 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.067 -21.116 7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.186 -18.094 8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.655 -19.660 8.078 1.00 0.00 H new ATOM 549 N ILE A 34 5.649 -17.191 11.369 1.00 0.00 N ATOM 550 CA ILE A 34 4.223 -17.420 11.171 1.00 0.00 C ATOM 551 C ILE A 34 3.454 -16.115 11.311 1.00 0.00 C ATOM 552 O ILE A 34 2.552 -15.829 10.526 1.00 0.00 O ATOM 553 CB ILE A 34 3.707 -18.439 12.197 1.00 0.00 C ATOM 554 CG1 ILE A 34 4.307 -19.833 11.903 1.00 0.00 C ATOM 555 CG2 ILE A 34 2.169 -18.503 12.145 1.00 0.00 C ATOM 556 CD1 ILE A 34 3.456 -20.580 10.862 1.00 0.00 C ATOM 0 H ILE A 34 6.049 -17.669 12.177 1.00 0.00 H new ATOM 0 HA ILE A 34 4.070 -17.814 10.166 1.00 0.00 H new ATOM 0 HB ILE A 34 4.014 -18.126 13.195 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.328 -19.726 11.537 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.358 -20.414 12.824 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.810 -19.228 12.876 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.756 -17.521 12.375 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.851 -18.805 11.147 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.894 -21.559 10.668 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.442 -20.705 11.243 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.427 -20.006 9.936 1.00 0.00 H new ATOM 568 N HIS A 35 3.813 -15.332 12.316 1.00 0.00 N ATOM 569 CA HIS A 35 3.144 -14.062 12.550 1.00 0.00 C ATOM 570 C HIS A 35 3.263 -13.166 11.323 1.00 0.00 C ATOM 571 O HIS A 35 2.287 -12.553 10.890 1.00 0.00 O ATOM 572 CB HIS A 35 3.768 -13.366 13.761 1.00 0.00 C ATOM 573 CG HIS A 35 3.067 -12.058 14.005 1.00 0.00 C ATOM 574 ND1 HIS A 35 3.650 -10.840 13.695 1.00 0.00 N ATOM 575 CD2 HIS A 35 1.833 -11.762 14.527 1.00 0.00 C ATOM 576 CE1 HIS A 35 2.773 -9.875 14.030 1.00 0.00 C ATOM 577 NE2 HIS A 35 1.649 -10.382 14.541 1.00 0.00 N ATOM 0 H HIS A 35 4.558 -15.551 12.978 1.00 0.00 H new ATOM 0 HA HIS A 35 2.088 -14.251 12.745 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.688 -14.004 14.641 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.830 -13.194 13.588 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.114 -12.489 14.874 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.957 -8.819 13.901 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.831 -9.869 14.871 1.00 0.00 H new ATOM 585 N ASN A 36 4.466 -13.098 10.762 1.00 0.00 N ATOM 586 CA ASN A 36 4.702 -12.278 9.579 1.00 0.00 C ATOM 587 C ASN A 36 3.938 -12.827 8.378 1.00 0.00 C ATOM 588 O ASN A 36 3.367 -12.067 7.594 1.00 0.00 O ATOM 589 CB ASN A 36 6.196 -12.239 9.260 1.00 0.00 C ATOM 590 CG ASN A 36 6.436 -11.438 7.985 1.00 0.00 C ATOM 591 OD1 ASN A 36 5.488 -10.966 7.359 1.00 0.00 O ATOM 592 ND2 ASN A 36 7.657 -11.257 7.560 1.00 0.00 N ATOM 0 H ASN A 36 5.287 -13.597 11.104 1.00 0.00 H new ATOM 0 HA ASN A 36 4.347 -11.269 9.787 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.742 -11.790 10.090 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.577 -13.253 9.139 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.826 -10.723 6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.442 -11.649 8.081 1.00 0.00 H new ATOM 599 N SER A 37 3.932 -14.153 8.235 1.00 0.00 N ATOM 600 CA SER A 37 3.245 -14.811 7.130 1.00 0.00 C ATOM 601 C SER A 37 1.893 -15.344 7.587 1.00 0.00 C ATOM 602 O SER A 37 1.324 -16.241 6.965 1.00 0.00 O ATOM 603 CB SER A 37 4.095 -15.953 6.589 1.00 0.00 C ATOM 604 OG SER A 37 4.322 -16.905 7.621 1.00 0.00 O ATOM 0 H SER A 37 4.399 -14.793 8.877 1.00 0.00 H new ATOM 0 HA SER A 37 3.085 -14.080 6.338 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.592 -16.427 5.746 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.045 -15.569 6.218 1.00 0.00 H new ATOM 0 HG SER A 37 5.034 -16.583 8.212 1.00 0.00 H new ATOM 610 N ASN A 38 1.387 -14.806 8.692 1.00 0.00 N ATOM 611 CA ASN A 38 0.108 -15.256 9.226 1.00 0.00 C ATOM 612 C ASN A 38 -0.915 -15.404 8.106 1.00 0.00 C ATOM 613 O ASN A 38 -1.216 -14.446 7.393 1.00 0.00 O ATOM 614 CB ASN A 38 -0.414 -14.244 10.248 1.00 0.00 C ATOM 615 CG ASN A 38 -1.607 -14.825 11.001 1.00 0.00 C ATOM 616 OD1 ASN A 38 -1.678 -16.035 11.212 1.00 0.00 O ATOM 617 ND2 ASN A 38 -2.552 -14.029 11.424 1.00 0.00 N ATOM 0 H ASN A 38 1.838 -14.066 9.230 1.00 0.00 H new ATOM 0 HA ASN A 38 0.257 -16.223 9.706 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.378 -13.984 10.951 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.706 -13.324 9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.351 -14.410 11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.491 -13.026 11.248 1.00 0.00 H new ATOM 624 N ILE A 39 -1.442 -16.615 7.960 1.00 0.00 N ATOM 625 CA ILE A 39 -2.433 -16.897 6.929 1.00 0.00 C ATOM 626 C ILE A 39 -1.845 -16.655 5.547 1.00 0.00 C ATOM 627 O ILE A 39 -2.291 -15.764 4.824 1.00 0.00 O ATOM 628 CB ILE A 39 -3.659 -16.008 7.120 1.00 0.00 C ATOM 629 CG1 ILE A 39 -4.098 -16.063 8.576 1.00 0.00 C ATOM 630 CG2 ILE A 39 -4.796 -16.510 6.228 1.00 0.00 C ATOM 631 CD1 ILE A 39 -5.301 -15.143 8.787 1.00 0.00 C ATOM 0 H ILE A 39 -1.199 -17.416 8.543 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.727 -17.943 7.014 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.411 -14.981 6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.358 -17.086 8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.277 -15.759 9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.672 -15.876 6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.482 -16.477 5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.045 -17.536 6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.613 -15.185 9.831 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.026 -14.120 8.531 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.123 -15.468 8.150 1.00 0.00 H new ATOM 643 N LEU A 40 -0.840 -17.452 5.183 1.00 0.00 N ATOM 644 CA LEU A 40 -0.191 -17.319 3.875 1.00 0.00 C ATOM 645 C LEU A 40 -0.289 -18.627 3.105 1.00 0.00 C ATOM 646 O LEU A 40 -0.169 -19.702 3.682 1.00 0.00 O ATOM 647 CB LEU A 40 1.281 -16.929 4.044 1.00 0.00 C ATOM 648 CG LEU A 40 1.910 -16.654 2.673 1.00 0.00 C ATOM 649 CD1 LEU A 40 1.214 -15.460 1.989 1.00 0.00 C ATOM 650 CD2 LEU A 40 3.401 -16.355 2.856 1.00 0.00 C ATOM 0 H LEU A 40 -0.458 -18.193 5.771 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.702 -16.535 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.361 -16.044 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.823 -17.729 4.548 1.00 0.00 H new ATOM 0 HG LEU A 40 1.786 -17.532 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.673 -15.279 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.156 -15.684 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.320 -14.572 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.855 -16.158 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.521 -15.481 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.890 -17.213 3.318 1.00 0.00 H new ATOM 662 N ASP A 41 -0.515 -18.521 1.799 1.00 0.00 N ATOM 663 CA ASP A 41 -0.649 -19.701 0.955 1.00 0.00 C ATOM 664 C ASP A 41 0.626 -20.540 0.983 1.00 0.00 C ATOM 665 O ASP A 41 0.572 -21.769 0.978 1.00 0.00 O ATOM 666 CB ASP A 41 -0.962 -19.280 -0.489 1.00 0.00 C ATOM 667 CG ASP A 41 -2.443 -18.927 -0.639 1.00 0.00 C ATOM 668 OD1 ASP A 41 -3.209 -19.240 0.259 1.00 0.00 O ATOM 669 OD2 ASP A 41 -2.789 -18.345 -1.655 1.00 0.00 O ATOM 0 H ASP A 41 -0.609 -17.634 1.305 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.468 -20.306 1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.349 -18.422 -0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.704 -20.089 -1.173 1.00 0.00 H new ATOM 674 N GLU A 42 1.766 -19.875 1.008 1.00 0.00 N ATOM 675 CA GLU A 42 3.041 -20.574 1.034 1.00 0.00 C ATOM 676 C GLU A 42 3.253 -21.299 2.365 1.00 0.00 C ATOM 677 O GLU A 42 3.524 -22.498 2.393 1.00 0.00 O ATOM 678 CB GLU A 42 4.165 -19.570 0.827 1.00 0.00 C ATOM 679 CG GLU A 42 4.122 -19.032 -0.605 1.00 0.00 C ATOM 680 CD GLU A 42 5.176 -17.943 -0.790 1.00 0.00 C ATOM 681 OE1 GLU A 42 5.883 -17.659 0.163 1.00 0.00 O ATOM 682 OE2 GLU A 42 5.261 -17.409 -1.884 1.00 0.00 O ATOM 0 H GLU A 42 1.837 -18.858 1.011 1.00 0.00 H new ATOM 0 HA GLU A 42 3.040 -21.317 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.067 -18.749 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.128 -20.044 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.298 -19.843 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.132 -18.631 -0.821 1.00 0.00 H new ATOM 689 N ARG A 43 3.132 -20.558 3.462 1.00 0.00 N ATOM 690 CA ARG A 43 3.314 -21.127 4.796 1.00 0.00 C ATOM 691 C ARG A 43 2.083 -21.902 5.228 1.00 0.00 C ATOM 692 O ARG A 43 2.141 -22.693 6.164 1.00 0.00 O ATOM 693 CB ARG A 43 3.627 -20.016 5.805 1.00 0.00 C ATOM 694 CG ARG A 43 4.908 -19.281 5.386 1.00 0.00 C ATOM 695 CD ARG A 43 6.145 -20.078 5.816 1.00 0.00 C ATOM 696 NE ARG A 43 7.354 -19.334 5.481 1.00 0.00 N ATOM 697 CZ ARG A 43 7.962 -19.492 4.309 1.00 0.00 C ATOM 698 NH1 ARG A 43 7.472 -20.316 3.422 1.00 0.00 N ATOM 699 NH2 ARG A 43 9.048 -18.821 4.045 1.00 0.00 N ATOM 0 H ARG A 43 2.909 -19.563 3.455 1.00 0.00 H new ATOM 0 HA ARG A 43 4.155 -21.820 4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.795 -19.314 5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.749 -20.441 6.801 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.917 -19.139 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.931 -18.290 5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.111 -20.270 6.888 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.155 -21.048 5.319 1.00 0.00 H new ATOM 0 HE ARG A 43 7.741 -18.679 6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.621 -20.840 3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.940 -20.436 2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.430 -18.176 4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.516 -18.941 3.147 1.00 0.00 H new ATOM 713 N GLN A 44 0.967 -21.673 4.556 1.00 0.00 N ATOM 714 CA GLN A 44 -0.270 -22.367 4.903 1.00 0.00 C ATOM 715 C GLN A 44 0.010 -23.842 5.207 1.00 0.00 C ATOM 716 O GLN A 44 -0.627 -24.438 6.077 1.00 0.00 O ATOM 717 CB GLN A 44 -1.276 -22.247 3.731 1.00 0.00 C ATOM 718 CG GLN A 44 -2.487 -21.398 4.143 1.00 0.00 C ATOM 719 CD GLN A 44 -3.323 -22.172 5.151 1.00 0.00 C ATOM 720 OE1 GLN A 44 -3.686 -23.321 4.905 1.00 0.00 O ATOM 721 NE2 GLN A 44 -3.640 -21.614 6.286 1.00 0.00 N ATOM 0 H GLN A 44 0.888 -21.021 3.776 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.696 -21.907 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.785 -21.796 2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.608 -23.240 3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.154 -20.455 4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.088 -21.152 3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.338 -20.661 6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.190 -22.131 6.972 1.00 0.00 H new ATOM 730 N GLY A 45 0.963 -24.416 4.488 1.00 0.00 N ATOM 731 CA GLY A 45 1.319 -25.809 4.691 1.00 0.00 C ATOM 732 C GLY A 45 2.022 -25.992 6.026 1.00 0.00 C ATOM 733 O GLY A 45 1.856 -27.012 6.694 1.00 0.00 O ATOM 0 H GLY A 45 1.500 -23.940 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.422 -26.428 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.968 -26.146 3.883 1.00 0.00 H new ATOM 737 N LEU A 46 2.806 -24.993 6.407 1.00 0.00 N ATOM 738 CA LEU A 46 3.534 -25.049 7.664 1.00 0.00 C ATOM 739 C LEU A 46 2.564 -25.125 8.835 1.00 0.00 C ATOM 740 O LEU A 46 2.850 -25.758 9.847 1.00 0.00 O ATOM 741 CB LEU A 46 4.444 -23.821 7.816 1.00 0.00 C ATOM 742 CG LEU A 46 5.117 -23.829 9.203 1.00 0.00 C ATOM 743 CD1 LEU A 46 5.877 -25.150 9.419 1.00 0.00 C ATOM 744 CD2 LEU A 46 6.093 -22.644 9.303 1.00 0.00 C ATOM 0 H LEU A 46 2.953 -24.140 5.867 1.00 0.00 H new ATOM 0 HA LEU A 46 4.154 -25.945 7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.204 -23.823 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.861 -22.909 7.691 1.00 0.00 H new ATOM 0 HG LEU A 46 4.350 -23.737 9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.348 -25.142 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.180 -25.985 9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.643 -25.259 8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.570 -22.647 10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.854 -22.733 8.528 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.547 -21.710 9.169 1.00 0.00 H new ATOM 756 N MET A 47 1.427 -24.464 8.698 1.00 0.00 N ATOM 757 CA MET A 47 0.437 -24.453 9.763 1.00 0.00 C ATOM 758 C MET A 47 -0.036 -25.874 10.061 1.00 0.00 C ATOM 759 O MET A 47 -0.232 -26.241 11.220 1.00 0.00 O ATOM 760 CB MET A 47 -0.758 -23.585 9.342 1.00 0.00 C ATOM 761 CG MET A 47 -0.410 -22.103 9.507 1.00 0.00 C ATOM 762 SD MET A 47 0.871 -21.652 8.309 1.00 0.00 S ATOM 763 CE MET A 47 0.293 -19.970 7.977 1.00 0.00 C ATOM 0 H MET A 47 1.167 -23.932 7.867 1.00 0.00 H new ATOM 0 HA MET A 47 0.889 -24.039 10.664 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.022 -23.792 8.305 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.630 -23.832 9.948 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.298 -21.490 9.355 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.060 -21.911 10.521 1.00 0.00 H new ATOM 0 HE1 MET A 47 1.057 -19.426 7.422 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.624 -20.010 7.388 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.097 -19.460 8.920 1.00 0.00 H new ATOM 773 N HIS A 48 -0.213 -26.668 9.013 1.00 0.00 N ATOM 774 CA HIS A 48 -0.658 -28.044 9.185 1.00 0.00 C ATOM 775 C HIS A 48 0.419 -28.876 9.875 1.00 0.00 C ATOM 776 O HIS A 48 0.140 -29.610 10.823 1.00 0.00 O ATOM 777 CB HIS A 48 -0.985 -28.659 7.825 1.00 0.00 C ATOM 778 CG HIS A 48 -1.481 -30.065 8.017 1.00 0.00 C ATOM 779 ND1 HIS A 48 -2.717 -30.343 8.579 1.00 0.00 N ATOM 780 CD2 HIS A 48 -0.920 -31.284 7.726 1.00 0.00 C ATOM 781 CE1 HIS A 48 -2.859 -31.680 8.611 1.00 0.00 C ATOM 782 NE2 HIS A 48 -1.791 -32.302 8.103 1.00 0.00 N ATOM 0 H HIS A 48 -0.057 -26.387 8.045 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.552 -28.041 9.808 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.741 -28.061 7.316 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.098 -28.658 7.191 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.050 -31.431 7.273 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.729 -32.188 8.999 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.645 -33.307 8.011 1.00 0.00 H new ATOM 790 N GLU A 49 1.653 -28.753 9.395 1.00 0.00 N ATOM 791 CA GLU A 49 2.768 -29.496 9.975 1.00 0.00 C ATOM 792 C GLU A 49 3.103 -28.951 11.355 1.00 0.00 C ATOM 793 O GLU A 49 3.444 -29.703 12.269 1.00 0.00 O ATOM 794 CB GLU A 49 3.996 -29.394 9.066 1.00 0.00 C ATOM 795 CG GLU A 49 3.721 -30.136 7.757 1.00 0.00 C ATOM 796 CD GLU A 49 4.898 -29.963 6.803 1.00 0.00 C ATOM 797 OE1 GLU A 49 5.908 -29.429 7.230 1.00 0.00 O ATOM 798 OE2 GLU A 49 4.774 -30.372 5.660 1.00 0.00 O ATOM 0 H GLU A 49 1.906 -28.151 8.612 1.00 0.00 H new ATOM 0 HA GLU A 49 2.478 -30.543 10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.226 -28.348 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.867 -29.821 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.557 -31.195 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.810 -29.754 7.297 1.00 0.00 H new ATOM 805 N LEU A 50 3.004 -27.636 11.494 1.00 0.00 N ATOM 806 CA LEU A 50 3.300 -26.989 12.761 1.00 0.00 C ATOM 807 C LEU A 50 2.320 -27.458 13.831 1.00 0.00 C ATOM 808 O LEU A 50 2.695 -27.664 14.985 1.00 0.00 O ATOM 809 CB LEU A 50 3.215 -25.463 12.619 1.00 0.00 C ATOM 810 CG LEU A 50 3.578 -24.784 13.952 1.00 0.00 C ATOM 811 CD1 LEU A 50 5.027 -25.124 14.347 1.00 0.00 C ATOM 812 CD2 LEU A 50 3.428 -23.267 13.798 1.00 0.00 C ATOM 0 H LEU A 50 2.722 -27.000 10.748 1.00 0.00 H new ATOM 0 HA LEU A 50 4.314 -27.260 13.056 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.892 -25.125 11.834 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.208 -25.174 12.318 1.00 0.00 H new ATOM 0 HG LEU A 50 2.910 -25.145 14.733 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.270 -24.637 15.291 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.130 -26.203 14.458 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.708 -24.772 13.572 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.683 -22.779 14.738 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.096 -22.913 13.012 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.398 -23.028 13.533 1.00 0.00 H new ATOM 824 N MET A 51 1.059 -27.609 13.440 1.00 0.00 N ATOM 825 CA MET A 51 0.027 -28.035 14.374 1.00 0.00 C ATOM 826 C MET A 51 0.440 -29.329 15.065 1.00 0.00 C ATOM 827 O MET A 51 0.349 -29.447 16.287 1.00 0.00 O ATOM 828 CB MET A 51 -1.288 -28.256 13.620 1.00 0.00 C ATOM 829 CG MET A 51 -2.394 -28.649 14.605 1.00 0.00 C ATOM 830 SD MET A 51 -3.948 -28.883 13.707 1.00 0.00 S ATOM 831 CE MET A 51 -3.685 -30.613 13.250 1.00 0.00 C ATOM 0 H MET A 51 0.730 -27.444 12.489 1.00 0.00 H new ATOM 0 HA MET A 51 -0.108 -27.259 15.128 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.569 -27.347 13.088 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.161 -29.038 12.871 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.122 -29.566 15.127 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.513 -27.875 15.363 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.540 -30.972 12.677 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.782 -30.696 12.645 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.575 -31.215 14.152 1.00 0.00 H new ATOM 841 N GLU A 52 0.902 -30.292 14.279 1.00 0.00 N ATOM 842 CA GLU A 52 1.334 -31.568 14.832 1.00 0.00 C ATOM 843 C GLU A 52 2.605 -31.391 15.651 1.00 0.00 C ATOM 844 O GLU A 52 2.777 -32.021 16.694 1.00 0.00 O ATOM 845 CB GLU A 52 1.586 -32.572 13.705 1.00 0.00 C ATOM 846 CG GLU A 52 0.255 -32.960 13.059 1.00 0.00 C ATOM 847 CD GLU A 52 0.498 -33.908 11.890 1.00 0.00 C ATOM 848 OE1 GLU A 52 1.649 -34.237 11.649 1.00 0.00 O ATOM 849 OE2 GLU A 52 -0.469 -34.293 11.254 1.00 0.00 O ATOM 0 H GLU A 52 0.987 -30.215 13.265 1.00 0.00 H new ATOM 0 HA GLU A 52 0.544 -31.946 15.482 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.251 -32.138 12.959 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.084 -33.459 14.098 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.391 -33.437 13.796 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.264 -32.067 12.711 1.00 0.00 H new ATOM 856 N LEU A 53 3.501 -30.542 15.165 1.00 0.00 N ATOM 857 CA LEU A 53 4.761 -30.308 15.855 1.00 0.00 C ATOM 858 C LEU A 53 4.501 -29.709 17.240 1.00 0.00 C ATOM 859 O LEU A 53 5.121 -30.096 18.231 1.00 0.00 O ATOM 860 CB LEU A 53 5.639 -29.357 15.017 1.00 0.00 C ATOM 861 CG LEU A 53 7.123 -29.676 15.244 1.00 0.00 C ATOM 862 CD1 LEU A 53 7.986 -28.702 14.443 1.00 0.00 C ATOM 863 CD2 LEU A 53 7.463 -29.573 16.736 1.00 0.00 C ATOM 0 H LEU A 53 3.380 -30.009 14.304 1.00 0.00 H new ATOM 0 HA LEU A 53 5.283 -31.257 15.982 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.394 -29.460 13.960 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.435 -28.322 15.293 1.00 0.00 H new ATOM 0 HG LEU A 53 7.324 -30.693 14.909 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.039 -28.931 14.606 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.754 -28.798 13.382 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.781 -27.682 14.769 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.518 -29.801 16.885 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.257 -28.562 17.087 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.855 -30.283 17.297 1.00 0.00 H new ATOM 875 N ILE A 54 3.579 -28.760 17.299 1.00 0.00 N ATOM 876 CA ILE A 54 3.255 -28.111 18.562 1.00 0.00 C ATOM 877 C ILE A 54 2.681 -29.119 19.548 1.00 0.00 C ATOM 878 O ILE A 54 3.022 -29.106 20.731 1.00 0.00 O ATOM 879 CB ILE A 54 2.261 -26.970 18.336 1.00 0.00 C ATOM 880 CG1 ILE A 54 2.947 -25.840 17.541 1.00 0.00 C ATOM 881 CG2 ILE A 54 1.769 -26.429 19.690 1.00 0.00 C ATOM 882 CD1 ILE A 54 3.766 -24.918 18.470 1.00 0.00 C ATOM 0 H ILE A 54 3.046 -28.424 16.497 1.00 0.00 H new ATOM 0 HA ILE A 54 4.173 -27.698 18.981 1.00 0.00 H new ATOM 0 HB ILE A 54 1.407 -27.343 17.771 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.602 -26.271 16.784 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.194 -25.253 17.015 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.062 -25.617 19.522 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.278 -27.229 20.245 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.618 -26.058 20.264 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.237 -24.132 17.880 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.105 -24.468 19.211 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.535 -25.502 18.976 1.00 0.00 H new ATOM 894 N ASP A 55 1.809 -29.981 19.054 1.00 0.00 N ATOM 895 CA ASP A 55 1.186 -30.987 19.894 1.00 0.00 C ATOM 896 C ASP A 55 2.241 -31.919 20.466 1.00 0.00 C ATOM 897 O ASP A 55 2.093 -32.438 21.571 1.00 0.00 O ATOM 898 CB ASP A 55 0.170 -31.788 19.079 1.00 0.00 C ATOM 899 CG ASP A 55 -0.670 -32.661 20.005 1.00 0.00 C ATOM 900 OD1 ASP A 55 -0.619 -32.436 21.202 1.00 0.00 O ATOM 901 OD2 ASP A 55 -1.348 -33.541 19.503 1.00 0.00 O ATOM 0 H ASP A 55 1.517 -30.004 18.077 1.00 0.00 H new ATOM 0 HA ASP A 55 0.672 -30.490 20.717 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.475 -31.110 18.520 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.687 -32.411 18.349 1.00 0.00 H new ATOM 906 N LEU A 56 3.304 -32.134 19.704 1.00 0.00 N ATOM 907 CA LEU A 56 4.380 -33.011 20.148 1.00 0.00 C ATOM 908 C LEU A 56 5.361 -32.246 21.024 1.00 0.00 C ATOM 909 O LEU A 56 6.116 -32.840 21.794 1.00 0.00 O ATOM 910 CB LEU A 56 5.116 -33.594 18.943 1.00 0.00 C ATOM 911 CG LEU A 56 4.166 -34.505 18.153 1.00 0.00 C ATOM 912 CD1 LEU A 56 4.837 -34.917 16.837 1.00 0.00 C ATOM 913 CD2 LEU A 56 3.812 -35.764 18.975 1.00 0.00 C ATOM 0 H LEU A 56 3.445 -31.718 18.783 1.00 0.00 H new ATOM 0 HA LEU A 56 3.944 -33.823 20.730 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.482 -32.791 18.304 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.987 -34.159 19.274 1.00 0.00 H new ATOM 0 HG LEU A 56 3.246 -33.960 17.943 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.165 -35.564 16.273 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.062 -34.027 16.249 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.761 -35.453 17.052 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.138 -36.397 18.398 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.723 -36.317 19.204 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.325 -35.467 19.904 1.00 0.00 H new ATOM 925 N TYR A 57 5.349 -30.924 20.897 1.00 0.00 N ATOM 926 CA TYR A 57 6.244 -30.078 21.681 1.00 0.00 C ATOM 927 C TYR A 57 5.622 -29.728 23.029 1.00 0.00 C ATOM 928 O TYR A 57 6.288 -29.777 24.063 1.00 0.00 O ATOM 929 CB TYR A 57 6.548 -28.793 20.912 1.00 0.00 C ATOM 930 CG TYR A 57 7.584 -27.991 21.665 1.00 0.00 C ATOM 931 CD1 TYR A 57 8.938 -28.341 21.581 1.00 0.00 C ATOM 932 CD2 TYR A 57 7.191 -26.898 22.447 1.00 0.00 C ATOM 933 CE1 TYR A 57 9.897 -27.597 22.277 1.00 0.00 C ATOM 934 CE2 TYR A 57 8.150 -26.155 23.144 1.00 0.00 C ATOM 935 CZ TYR A 57 9.504 -26.503 23.059 1.00 0.00 C ATOM 936 OH TYR A 57 10.450 -25.769 23.746 1.00 0.00 O ATOM 0 H TYR A 57 4.733 -30.416 20.262 1.00 0.00 H new ATOM 0 HA TYR A 57 7.168 -30.630 21.857 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.912 -29.032 19.913 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.638 -28.206 20.788 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.241 -29.185 20.979 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.147 -26.628 22.512 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.941 -27.866 22.211 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.846 -25.313 23.748 1.00 0.00 H new ATOM 0 HH TYR A 57 10.009 -25.045 24.238 1.00 0.00 H new ATOM 946 N GLU A 58 4.344 -29.367 23.010 1.00 0.00 N ATOM 947 CA GLU A 58 3.648 -28.999 24.236 1.00 0.00 C ATOM 948 C GLU A 58 3.789 -30.100 25.291 1.00 0.00 C ATOM 949 O GLU A 58 3.683 -29.857 26.489 1.00 0.00 O ATOM 950 CB GLU A 58 2.164 -28.750 23.937 1.00 0.00 C ATOM 951 CG GLU A 58 1.447 -30.083 23.712 1.00 0.00 C ATOM 952 CD GLU A 58 0.061 -29.837 23.134 1.00 0.00 C ATOM 953 OE1 GLU A 58 -0.069 -28.931 22.327 1.00 0.00 O ATOM 954 OE2 GLU A 58 -0.846 -30.566 23.496 1.00 0.00 O ATOM 0 H GLU A 58 3.773 -29.322 22.166 1.00 0.00 H new ATOM 0 HA GLU A 58 4.096 -28.086 24.628 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.702 -28.214 24.766 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.063 -28.119 23.054 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.028 -30.708 23.033 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.366 -30.626 24.654 1.00 0.00 H new ATOM 961 N GLU A 59 4.003 -31.322 24.826 1.00 0.00 N ATOM 962 CA GLU A 59 4.165 -32.463 25.719 1.00 0.00 C ATOM 963 C GLU A 59 5.640 -32.650 26.080 1.00 0.00 C ATOM 964 O GLU A 59 5.987 -33.413 26.979 1.00 0.00 O ATOM 965 CB GLU A 59 3.620 -33.731 25.063 1.00 0.00 C ATOM 966 CG GLU A 59 3.553 -34.857 26.104 1.00 0.00 C ATOM 967 CD GLU A 59 2.880 -36.083 25.506 1.00 0.00 C ATOM 968 OE1 GLU A 59 2.739 -36.125 24.296 1.00 0.00 O ATOM 969 OE2 GLU A 59 2.513 -36.962 26.268 1.00 0.00 O ATOM 0 H GLU A 59 4.069 -31.550 23.834 1.00 0.00 H new ATOM 0 HA GLU A 59 3.602 -32.271 26.633 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.629 -33.543 24.651 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.260 -34.027 24.232 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.558 -35.112 26.440 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.000 -34.520 26.980 1.00 0.00 H new ATOM 976 N SER A 60 6.519 -31.983 25.339 1.00 0.00 N ATOM 977 CA SER A 60 7.948 -32.137 25.577 1.00 0.00 C ATOM 978 C SER A 60 8.344 -31.726 26.989 1.00 0.00 C ATOM 979 O SER A 60 8.890 -32.532 27.743 1.00 0.00 O ATOM 980 CB SER A 60 8.729 -31.276 24.584 1.00 0.00 C ATOM 981 OG SER A 60 8.490 -29.900 24.861 1.00 0.00 O ATOM 0 H SER A 60 6.273 -31.343 24.584 1.00 0.00 H new ATOM 0 HA SER A 60 8.184 -33.193 25.448 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.795 -31.493 24.657 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.425 -31.511 23.564 1.00 0.00 H new ATOM 0 HG SER A 60 7.537 -29.704 24.747 1.00 0.00 H new ATOM 987 N GLN A 61 8.077 -30.467 27.335 1.00 0.00 N ATOM 988 CA GLN A 61 8.416 -29.940 28.666 1.00 0.00 C ATOM 989 C GLN A 61 7.167 -29.687 29.510 1.00 0.00 C ATOM 990 O GLN A 61 7.144 -30.011 30.696 1.00 0.00 O ATOM 991 CB GLN A 61 9.219 -28.629 28.523 1.00 0.00 C ATOM 992 CG GLN A 61 10.501 -28.697 29.344 1.00 0.00 C ATOM 993 CD GLN A 61 11.458 -29.696 28.709 1.00 0.00 C ATOM 994 OE1 GLN A 61 11.563 -29.767 27.484 1.00 0.00 O ATOM 995 NE2 GLN A 61 12.160 -30.482 29.474 1.00 0.00 N ATOM 0 H GLN A 61 7.628 -29.791 26.717 1.00 0.00 H new ATOM 0 HA GLN A 61 9.020 -30.691 29.175 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.460 -28.456 27.474 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.612 -27.786 28.854 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.966 -27.713 29.394 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.274 -28.995 30.368 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.070 -30.420 30.488 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.800 -31.160 29.059 1.00 0.00 H new ATOM 1004 N PRO A 62 6.150 -29.118 28.923 1.00 0.00 N ATOM 1005 CA PRO A 62 4.899 -28.805 29.647 1.00 0.00 C ATOM 1006 C PRO A 62 3.824 -29.864 29.447 1.00 0.00 C ATOM 1007 O PRO A 62 2.730 -29.597 28.955 1.00 0.00 O ATOM 1008 CB PRO A 62 4.481 -27.477 28.979 1.00 0.00 C ATOM 1009 CG PRO A 62 5.068 -27.508 27.576 1.00 0.00 C ATOM 1010 CD PRO A 62 6.103 -28.643 27.530 1.00 0.00 C ATOM 0 HA PRO A 62 5.033 -28.756 30.728 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.396 -27.382 28.945 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.858 -26.622 29.541 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.284 -27.674 26.837 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.536 -26.553 27.336 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.800 -29.435 26.845 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.076 -28.286 27.194 1.00 0.00 H new ATOM 1018 N SER A 63 4.155 -31.076 29.878 1.00 0.00 N ATOM 1019 CA SER A 63 3.234 -32.198 29.801 1.00 0.00 C ATOM 1020 C SER A 63 2.369 -32.249 31.059 1.00 0.00 C ATOM 1021 O SER A 63 1.506 -33.112 31.195 1.00 0.00 O ATOM 1022 CB SER A 63 4.002 -33.508 29.663 1.00 0.00 C ATOM 1023 OG SER A 63 4.528 -33.882 30.929 1.00 0.00 O ATOM 0 H SER A 63 5.061 -31.305 30.287 1.00 0.00 H new ATOM 0 HA SER A 63 2.598 -32.064 28.926 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.344 -34.290 29.285 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.810 -33.394 28.940 1.00 0.00 H new ATOM 0 HG SER A 63 5.021 -34.725 30.843 1.00 0.00 H new ATOM 1029 N SER A 64 2.623 -31.322 31.983 1.00 0.00 N ATOM 1030 CA SER A 64 1.872 -31.274 33.234 1.00 0.00 C ATOM 1031 C SER A 64 0.475 -30.724 33.012 1.00 0.00 C ATOM 1032 O SER A 64 -0.111 -30.132 33.918 1.00 0.00 O ATOM 1033 CB SER A 64 2.598 -30.401 34.256 1.00 0.00 C ATOM 1034 OG SER A 64 2.930 -29.154 33.658 1.00 0.00 O ATOM 0 H SER A 64 3.338 -30.600 31.889 1.00 0.00 H new ATOM 0 HA SER A 64 1.794 -32.293 33.612 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.966 -30.242 35.129 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.501 -30.903 34.603 1.00 0.00 H new ATOM 0 HG SER A 64 3.897 -29.113 33.503 1.00 0.00 H new ATOM 1040 N GLU A 65 -0.048 -30.924 31.806 1.00 0.00 N ATOM 1041 CA GLU A 65 -1.387 -30.454 31.458 1.00 0.00 C ATOM 1042 C GLU A 65 -1.357 -28.963 31.138 1.00 0.00 C ATOM 1043 O GLU A 65 -2.386 -28.359 30.836 1.00 0.00 O ATOM 1044 CB GLU A 65 -2.363 -30.723 32.621 1.00 0.00 C ATOM 1045 CG GLU A 65 -3.795 -30.808 32.094 1.00 0.00 C ATOM 1046 CD GLU A 65 -4.746 -31.125 33.241 1.00 0.00 C ATOM 1047 OE1 GLU A 65 -4.300 -31.098 34.377 1.00 0.00 O ATOM 1048 OE2 GLU A 65 -5.903 -31.386 32.968 1.00 0.00 O ATOM 0 H GLU A 65 0.436 -31.410 31.051 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.728 -30.996 30.576 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.096 -31.653 33.123 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.286 -29.927 33.362 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.077 -29.865 31.625 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.865 -31.579 31.327 1.00 0.00 H new ATOM 1055 N ARG A 66 -0.166 -28.379 31.206 1.00 0.00 N ATOM 1056 CA ARG A 66 -0.002 -26.959 30.926 1.00 0.00 C ATOM 1057 C ARG A 66 -0.205 -26.672 29.444 1.00 0.00 C ATOM 1058 O ARG A 66 -0.459 -25.533 29.053 1.00 0.00 O ATOM 1059 CB ARG A 66 1.387 -26.494 31.359 1.00 0.00 C ATOM 1060 CG ARG A 66 1.466 -26.469 32.886 1.00 0.00 C ATOM 1061 CD ARG A 66 2.845 -25.971 33.316 1.00 0.00 C ATOM 1062 NE ARG A 66 3.873 -26.932 32.933 1.00 0.00 N ATOM 1063 CZ ARG A 66 5.161 -26.609 32.965 1.00 0.00 C ATOM 1064 NH1 ARG A 66 5.525 -25.407 33.322 1.00 0.00 N ATOM 1065 NH2 ARG A 66 6.062 -27.492 32.635 1.00 0.00 N ATOM 0 H ARG A 66 0.696 -28.865 31.452 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.756 -26.411 31.491 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.148 -27.163 30.956 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.591 -25.501 30.958 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.690 -25.819 33.290 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.287 -27.467 33.287 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.050 -25.005 32.854 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.864 -25.819 34.395 1.00 0.00 H new ATOM 0 HE ARG A 66 3.598 -27.868 32.635 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.820 -24.715 33.577 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.514 -25.160 33.346 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.777 -28.430 32.353 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.051 -27.245 32.659 1.00 0.00 H new ATOM 1079 N LEU A 67 -0.091 -27.707 28.623 1.00 0.00 N ATOM 1080 CA LEU A 67 -0.271 -27.544 27.189 1.00 0.00 C ATOM 1081 C LEU A 67 -1.548 -26.768 26.900 1.00 0.00 C ATOM 1082 O LEU A 67 -1.714 -26.213 25.818 1.00 0.00 O ATOM 1083 CB LEU A 67 -0.339 -28.909 26.508 1.00 0.00 C ATOM 1084 CG LEU A 67 -1.333 -29.840 27.269 1.00 0.00 C ATOM 1085 CD1 LEU A 67 -2.355 -30.440 26.298 1.00 0.00 C ATOM 1086 CD2 LEU A 67 -0.560 -30.979 27.952 1.00 0.00 C ATOM 0 H LEU A 67 0.123 -28.658 28.922 1.00 0.00 H new ATOM 0 HA LEU A 67 0.580 -26.988 26.797 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.659 -28.792 25.473 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.652 -29.363 26.486 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.857 -29.247 28.018 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.041 -31.087 26.845 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.917 -29.638 25.820 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.836 -31.023 25.537 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.259 -31.626 28.482 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.027 -31.560 27.199 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.155 -30.560 28.660 1.00 0.00 H new ATOM 1098 N ASN A 68 -2.451 -26.739 27.876 1.00 0.00 N ATOM 1099 CA ASN A 68 -3.713 -26.027 27.710 1.00 0.00 C ATOM 1100 C ASN A 68 -3.452 -24.620 27.186 1.00 0.00 C ATOM 1101 O ASN A 68 -4.179 -24.122 26.326 1.00 0.00 O ATOM 1102 CB ASN A 68 -4.449 -25.949 29.051 1.00 0.00 C ATOM 1103 CG ASN A 68 -5.730 -25.136 28.897 1.00 0.00 C ATOM 1104 OD1 ASN A 68 -5.998 -24.594 27.824 1.00 0.00 O ATOM 1105 ND2 ASN A 68 -6.541 -25.013 29.912 1.00 0.00 N ATOM 0 H ASN A 68 -2.334 -27.195 28.781 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.331 -26.567 26.993 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.686 -26.953 29.404 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.806 -25.491 29.802 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.398 -24.468 29.817 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.318 -25.462 30.800 1.00 0.00 H new ATOM 1112 N ALA A 69 -2.405 -23.985 27.701 1.00 0.00 N ATOM 1113 CA ALA A 69 -2.051 -22.642 27.261 1.00 0.00 C ATOM 1114 C ALA A 69 -1.503 -22.680 25.837 1.00 0.00 C ATOM 1115 O ALA A 69 -1.785 -21.800 25.024 1.00 0.00 O ATOM 1116 CB ALA A 69 -1.004 -22.042 28.199 1.00 0.00 C ATOM 0 H ALA A 69 -1.792 -24.375 28.417 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.947 -22.022 27.280 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.746 -21.038 27.862 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.407 -21.992 29.210 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.111 -22.667 28.195 1.00 0.00 H new ATOM 1122 N PHE A 70 -0.721 -23.715 25.545 1.00 0.00 N ATOM 1123 CA PHE A 70 -0.136 -23.877 24.218 1.00 0.00 C ATOM 1124 C PHE A 70 -1.198 -24.317 23.219 1.00 0.00 C ATOM 1125 O PHE A 70 -1.085 -24.055 22.021 1.00 0.00 O ATOM 1126 CB PHE A 70 0.992 -24.909 24.260 1.00 0.00 C ATOM 1127 CG PHE A 70 2.191 -24.319 24.968 1.00 0.00 C ATOM 1128 CD1 PHE A 70 2.287 -24.390 26.363 1.00 0.00 C ATOM 1129 CD2 PHE A 70 3.202 -23.698 24.227 1.00 0.00 C ATOM 1130 CE1 PHE A 70 3.396 -23.843 27.016 1.00 0.00 C ATOM 1131 CE2 PHE A 70 4.313 -23.150 24.881 1.00 0.00 C ATOM 1132 CZ PHE A 70 4.410 -23.222 26.275 1.00 0.00 C ATOM 0 H PHE A 70 -0.478 -24.452 26.207 1.00 0.00 H new ATOM 0 HA PHE A 70 0.270 -22.916 23.902 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.657 -25.808 24.777 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.265 -25.207 23.247 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.505 -24.867 26.935 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.126 -23.641 23.151 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.471 -23.899 28.092 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.095 -22.672 24.309 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.266 -22.799 26.780 1.00 0.00 H new ATOM 1142 N ARG A 71 -2.228 -24.983 23.721 1.00 0.00 N ATOM 1143 CA ARG A 71 -3.302 -25.455 22.864 1.00 0.00 C ATOM 1144 C ARG A 71 -3.964 -24.284 22.157 1.00 0.00 C ATOM 1145 O ARG A 71 -4.363 -24.391 20.997 1.00 0.00 O ATOM 1146 CB ARG A 71 -4.342 -26.213 23.696 1.00 0.00 C ATOM 1147 CG ARG A 71 -3.815 -27.612 24.065 1.00 0.00 C ATOM 1148 CD ARG A 71 -4.136 -28.606 22.943 1.00 0.00 C ATOM 1149 NE ARG A 71 -3.706 -29.942 23.317 1.00 0.00 N ATOM 1150 CZ ARG A 71 -4.162 -31.007 22.672 1.00 0.00 C ATOM 1151 NH1 ARG A 71 -5.026 -30.863 21.703 1.00 0.00 N ATOM 1152 NH2 ARG A 71 -3.751 -32.195 23.011 1.00 0.00 N ATOM 0 H ARG A 71 -2.341 -25.207 24.710 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.882 -26.128 22.116 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.571 -25.653 24.602 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.271 -26.304 23.134 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.738 -27.572 24.230 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.268 -27.946 24.998 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.207 -28.604 22.741 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.638 -28.300 22.023 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.045 -30.062 24.085 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.350 -29.931 21.443 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.377 -31.682 21.207 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.080 -32.305 23.771 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.100 -33.016 22.516 1.00 0.00 H new ATOM 1166 N GLU A 72 -4.070 -23.163 22.856 1.00 0.00 N ATOM 1167 CA GLU A 72 -4.676 -21.981 22.270 1.00 0.00 C ATOM 1168 C GLU A 72 -4.007 -21.679 20.938 1.00 0.00 C ATOM 1169 O GLU A 72 -4.677 -21.453 19.930 1.00 0.00 O ATOM 1170 CB GLU A 72 -4.514 -20.790 23.216 1.00 0.00 C ATOM 1171 CG GLU A 72 -5.364 -21.013 24.467 1.00 0.00 C ATOM 1172 CD GLU A 72 -5.154 -19.867 25.451 1.00 0.00 C ATOM 1173 OE1 GLU A 72 -4.409 -18.959 25.122 1.00 0.00 O ATOM 1174 OE2 GLU A 72 -5.741 -19.914 26.519 1.00 0.00 O ATOM 0 H GLU A 72 -3.748 -23.049 23.817 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.739 -22.161 22.109 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.466 -20.671 23.492 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.818 -19.871 22.716 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.417 -21.080 24.194 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.095 -21.960 24.936 1.00 0.00 H new ATOM 1181 N LEU A 73 -2.681 -21.700 20.937 1.00 0.00 N ATOM 1182 CA LEU A 73 -1.929 -21.448 19.719 1.00 0.00 C ATOM 1183 C LEU A 73 -2.205 -22.549 18.701 1.00 0.00 C ATOM 1184 O LEU A 73 -2.327 -22.290 17.504 1.00 0.00 O ATOM 1185 CB LEU A 73 -0.425 -21.387 20.025 1.00 0.00 C ATOM 1186 CG LEU A 73 0.373 -21.168 18.726 1.00 0.00 C ATOM 1187 CD1 LEU A 73 -0.089 -19.874 18.032 1.00 0.00 C ATOM 1188 CD2 LEU A 73 1.865 -21.075 19.061 1.00 0.00 C ATOM 0 H LEU A 73 -2.109 -21.888 21.760 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.243 -20.490 19.305 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.222 -20.578 20.726 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.106 -22.312 20.505 1.00 0.00 H new ATOM 0 HG LEU A 73 0.201 -22.006 18.051 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.482 -19.729 17.115 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.149 -19.949 17.791 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.073 -19.026 18.698 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.435 -20.920 18.145 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.034 -20.239 19.739 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.189 -22.000 19.538 1.00 0.00 H new ATOM 1200 N ARG A 74 -2.300 -23.779 19.194 1.00 0.00 N ATOM 1201 CA ARG A 74 -2.557 -24.923 18.333 1.00 0.00 C ATOM 1202 C ARG A 74 -3.905 -24.760 17.653 1.00 0.00 C ATOM 1203 O ARG A 74 -4.073 -25.120 16.486 1.00 0.00 O ATOM 1204 CB ARG A 74 -2.539 -26.216 19.154 1.00 0.00 C ATOM 1205 CG ARG A 74 -2.710 -27.418 18.224 1.00 0.00 C ATOM 1206 CD ARG A 74 -2.736 -28.705 19.046 1.00 0.00 C ATOM 1207 NE ARG A 74 -2.737 -29.867 18.164 1.00 0.00 N ATOM 1208 CZ ARG A 74 -3.081 -31.067 18.616 1.00 0.00 C ATOM 1209 NH1 ARG A 74 -3.434 -31.215 19.862 1.00 0.00 N ATOM 1210 NH2 ARG A 74 -3.068 -32.097 17.815 1.00 0.00 N ATOM 0 H ARG A 74 -2.203 -24.007 20.183 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.777 -24.978 17.574 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.600 -26.298 19.701 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.339 -26.200 19.894 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.634 -27.320 17.654 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.893 -27.452 17.503 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.869 -28.741 19.706 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.621 -28.721 19.682 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.470 -29.756 17.186 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.446 -30.410 20.488 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.699 -32.136 20.211 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.793 -31.981 16.840 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.333 -33.018 18.164 1.00 0.00 H new ATOM 1224 N THR A 75 -4.861 -24.210 18.390 1.00 0.00 N ATOM 1225 CA THR A 75 -6.193 -23.999 17.852 1.00 0.00 C ATOM 1226 C THR A 75 -6.120 -23.124 16.610 1.00 0.00 C ATOM 1227 O THR A 75 -6.785 -23.392 15.612 1.00 0.00 O ATOM 1228 CB THR A 75 -7.079 -23.333 18.891 1.00 0.00 C ATOM 1229 OG1 THR A 75 -6.951 -24.010 20.132 1.00 0.00 O ATOM 1230 CG2 THR A 75 -8.531 -23.381 18.429 1.00 0.00 C ATOM 0 H THR A 75 -4.738 -23.905 19.355 1.00 0.00 H new ATOM 0 HA THR A 75 -6.619 -24.967 17.587 1.00 0.00 H new ATOM 0 HB THR A 75 -6.773 -22.294 19.015 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.021 -23.962 20.436 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.166 -22.903 19.175 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.628 -22.855 17.479 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.838 -24.419 18.302 1.00 0.00 H new ATOM 1238 N GLN A 76 -5.301 -22.081 16.676 1.00 0.00 N ATOM 1239 CA GLN A 76 -5.143 -21.182 15.541 1.00 0.00 C ATOM 1240 C GLN A 76 -4.675 -21.962 14.317 1.00 0.00 C ATOM 1241 O GLN A 76 -5.192 -21.777 13.215 1.00 0.00 O ATOM 1242 CB GLN A 76 -4.119 -20.093 15.877 1.00 0.00 C ATOM 1243 CG GLN A 76 -4.043 -19.074 14.734 1.00 0.00 C ATOM 1244 CD GLN A 76 -5.374 -18.344 14.603 1.00 0.00 C ATOM 1245 OE1 GLN A 76 -6.033 -18.072 15.607 1.00 0.00 O ATOM 1246 NE2 GLN A 76 -5.809 -18.006 13.421 1.00 0.00 N ATOM 0 H GLN A 76 -4.742 -21.839 17.494 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.105 -20.718 15.324 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.399 -19.592 16.804 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.139 -20.542 16.041 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.243 -18.359 14.925 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.802 -19.580 13.799 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.260 -18.233 12.592 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.698 -17.515 13.326 1.00 0.00 H new ATOM 1255 N LEU A 77 -3.697 -22.839 14.520 1.00 0.00 N ATOM 1256 CA LEU A 77 -3.173 -23.646 13.426 1.00 0.00 C ATOM 1257 C LEU A 77 -4.263 -24.563 12.891 1.00 0.00 C ATOM 1258 O LEU A 77 -4.398 -24.746 11.682 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.988 -24.482 13.912 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.967 -23.575 14.611 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.219 -24.413 15.090 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.477 -22.491 13.637 1.00 0.00 C ATOM 0 H LEU A 77 -3.255 -23.008 15.424 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.838 -22.983 12.628 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.333 -25.254 14.599 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.520 -24.991 13.069 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.441 -23.096 15.468 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.944 -23.768 15.586 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.131 -25.172 15.790 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.691 -24.898 14.235 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.248 -21.851 14.140 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.007 -22.963 12.774 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.324 -21.890 13.306 1.00 0.00 H new ATOM 1274 N GLU A 78 -5.042 -25.131 13.801 1.00 0.00 N ATOM 1275 CA GLU A 78 -6.126 -26.021 13.412 1.00 0.00 C ATOM 1276 C GLU A 78 -7.223 -25.240 12.695 1.00 0.00 C ATOM 1277 O GLU A 78 -7.767 -25.697 11.689 1.00 0.00 O ATOM 1278 CB GLU A 78 -6.707 -26.705 14.652 1.00 0.00 C ATOM 1279 CG GLU A 78 -7.792 -27.700 14.231 1.00 0.00 C ATOM 1280 CD GLU A 78 -8.336 -28.429 15.454 1.00 0.00 C ATOM 1281 OE1 GLU A 78 -8.033 -28.003 16.557 1.00 0.00 O ATOM 1282 OE2 GLU A 78 -9.046 -29.404 15.272 1.00 0.00 O ATOM 0 H GLU A 78 -4.945 -24.993 14.807 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.731 -26.777 12.733 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.918 -27.222 15.198 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.126 -25.959 15.328 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.600 -27.175 13.721 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.382 -28.419 13.522 1.00 0.00 H new ATOM 1289 N LYS A 79 -7.539 -24.061 13.217 1.00 0.00 N ATOM 1290 CA LYS A 79 -8.565 -23.226 12.622 1.00 0.00 C ATOM 1291 C LYS A 79 -8.127 -22.762 11.247 1.00 0.00 C ATOM 1292 O LYS A 79 -8.898 -22.805 10.288 1.00 0.00 O ATOM 1293 CB LYS A 79 -8.831 -22.015 13.514 1.00 0.00 C ATOM 1294 CG LYS A 79 -9.999 -21.207 12.945 1.00 0.00 C ATOM 1295 CD LYS A 79 -10.366 -20.059 13.909 1.00 0.00 C ATOM 1296 CE LYS A 79 -11.398 -20.548 14.931 1.00 0.00 C ATOM 1297 NZ LYS A 79 -12.625 -20.995 14.212 1.00 0.00 N ATOM 0 H LYS A 79 -7.099 -23.666 14.048 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.481 -23.809 12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.061 -22.341 14.528 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.939 -21.391 13.574 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.730 -20.802 11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.862 -21.856 12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.473 -19.704 14.422 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.768 -19.215 13.348 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.986 -21.369 15.517 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.643 -19.748 15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.460 -20.813 14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.714 -20.471 13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.558 -22.013 14.012 1.00 0.00 H new ATOM 1311 N ALA A 80 -6.879 -22.318 11.158 1.00 0.00 N ATOM 1312 CA ALA A 80 -6.349 -21.853 9.894 1.00 0.00 C ATOM 1313 C ALA A 80 -6.263 -23.006 8.920 1.00 0.00 C ATOM 1314 O ALA A 80 -6.579 -22.866 7.740 1.00 0.00 O ATOM 1315 CB ALA A 80 -4.957 -21.240 10.089 1.00 0.00 C ATOM 0 H ALA A 80 -6.226 -22.272 11.940 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.017 -21.089 9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.573 -20.896 9.129 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.024 -20.397 10.777 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.283 -21.991 10.501 1.00 0.00 H new ATOM 1321 N LEU A 81 -5.815 -24.145 9.415 1.00 0.00 N ATOM 1322 CA LEU A 81 -5.680 -25.295 8.551 1.00 0.00 C ATOM 1323 C LEU A 81 -7.046 -25.737 8.042 1.00 0.00 C ATOM 1324 O LEU A 81 -7.245 -25.925 6.843 1.00 0.00 O ATOM 1325 CB LEU A 81 -5.005 -26.456 9.305 1.00 0.00 C ATOM 1326 CG LEU A 81 -4.873 -27.713 8.403 1.00 0.00 C ATOM 1327 CD1 LEU A 81 -6.237 -28.448 8.232 1.00 0.00 C ATOM 1328 CD2 LEU A 81 -4.311 -27.314 7.021 1.00 0.00 C ATOM 0 H LEU A 81 -5.545 -24.294 10.387 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.057 -25.015 7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.018 -26.145 9.647 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.587 -26.703 10.193 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.184 -28.402 8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.102 -29.322 7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.605 -28.764 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.959 -27.772 7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.222 -28.202 6.395 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.985 -26.601 6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.329 -26.857 7.146 1.00 0.00 H new ATOM 1340 N GLY A 82 -7.986 -25.894 8.967 1.00 0.00 N ATOM 1341 CA GLY A 82 -9.330 -26.320 8.611 1.00 0.00 C ATOM 1342 C GLY A 82 -10.008 -25.268 7.752 1.00 0.00 C ATOM 1343 O GLY A 82 -10.983 -25.554 7.057 1.00 0.00 O ATOM 0 H GLY A 82 -7.841 -25.733 9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.288 -27.267 8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.915 -26.493 9.514 1.00 0.00 H new ATOM 1347 N LEU A 83 -9.477 -24.053 7.808 1.00 0.00 N ATOM 1348 CA LEU A 83 -10.024 -22.952 7.030 1.00 0.00 C ATOM 1349 C LEU A 83 -11.497 -22.757 7.346 1.00 0.00 C ATOM 1350 O LEU A 83 -12.312 -22.555 6.447 1.00 0.00 O ATOM 1351 CB LEU A 83 -9.846 -23.236 5.536 1.00 0.00 C ATOM 1352 CG LEU A 83 -8.351 -23.220 5.181 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -8.148 -23.860 3.803 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -7.814 -21.771 5.155 1.00 0.00 C ATOM 0 H LEU A 83 -8.671 -23.807 8.382 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.489 -22.039 7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.279 -24.205 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.377 -22.488 4.948 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.806 -23.784 5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.088 -23.849 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.506 -24.889 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.706 -23.297 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.754 -21.780 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.360 -21.194 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.949 -21.315 6.136 1.00 0.00 H new