USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 MET CE :methyl 179:sc= 0 (180deg=-0.00381) USER MOD Set 1.3: A 65 CYS SG : rot 120:sc= -1.05 USER MOD Set 2.1: A 19 HIS : no HE2:sc= -3.42 K(o=-2.9,f=-8.7!) USER MOD Set 2.2: A 82 TYR OH : rot 10:sc= 0.49 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.033) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.1!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -84:sc= 1.18 USER MOD Single : A 42 GLN : amide:sc= -0.0784 K(o=-0.078,f=-1.2!) USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= -0.0757 (180deg=-0.626) USER MOD Single : A 53 GLN : amide:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= -0.0439 (180deg=-0.289) USER MOD Single : A 64 THR OG1 : rot 150:sc= -0.0489 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 163:sc= -0.82 (180deg=-1.46) USER MOD Single : A 72 TYR OH : rot 165:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= -0.17 (180deg=-1.18) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.22) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc=-0.00623 (180deg=-0.15) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 8 -3.619 -13.100 -0.140 1.00 0.00 N ATOM 69 CA VAL A 8 -3.001 -11.789 -0.299 1.00 0.00 C ATOM 70 C VAL A 8 -1.842 -11.845 -1.288 1.00 0.00 C ATOM 71 O VAL A 8 -1.668 -10.942 -2.107 1.00 0.00 O ATOM 72 CB VAL A 8 -2.485 -11.244 1.046 1.00 0.00 C ATOM 73 CG1 VAL A 8 -2.028 -9.801 0.900 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.559 -11.365 2.118 1.00 0.00 C ATOM 0 HA VAL A 8 -3.772 -11.121 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.627 -11.842 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.667 -9.435 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.224 -9.746 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.865 -9.186 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.177 -10.975 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.438 -10.794 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.832 -12.413 2.242 1.00 0.00 H new ATOM 84 N SER A 9 -1.051 -12.909 -1.206 1.00 0.00 N ATOM 85 CA SER A 9 0.093 -13.082 -2.095 1.00 0.00 C ATOM 86 C SER A 9 -0.357 -13.150 -3.551 1.00 0.00 C ATOM 87 O SER A 9 0.357 -12.710 -4.452 1.00 0.00 O ATOM 88 CB SER A 9 0.864 -14.352 -1.728 1.00 0.00 C ATOM 89 OG SER A 9 1.905 -14.068 -0.809 1.00 0.00 O ATOM 0 H SER A 9 -1.180 -13.665 -0.533 1.00 0.00 H new ATOM 0 HA SER A 9 0.749 -12.220 -1.975 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.182 -15.083 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.282 -14.801 -2.629 1.00 0.00 H new ATOM 0 HG SER A 9 2.382 -14.895 -0.589 1.00 0.00 H new ATOM 95 N GLN A 10 -1.543 -13.705 -3.774 1.00 0.00 N ATOM 96 CA GLN A 10 -2.087 -13.830 -5.121 1.00 0.00 C ATOM 97 C GLN A 10 -2.333 -12.456 -5.738 1.00 0.00 C ATOM 98 O GLN A 10 -1.952 -12.202 -6.881 1.00 0.00 O ATOM 99 CB GLN A 10 -3.391 -14.631 -5.095 1.00 0.00 C ATOM 100 CG GLN A 10 -3.196 -16.120 -5.331 1.00 0.00 C ATOM 101 CD GLN A 10 -2.876 -16.443 -6.777 1.00 0.00 C ATOM 102 OE1 GLN A 10 -3.708 -16.259 -7.665 1.00 0.00 O ATOM 103 NE2 GLN A 10 -1.664 -16.928 -7.021 1.00 0.00 N ATOM 0 H GLN A 10 -2.146 -14.075 -3.039 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.356 -14.358 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.878 -14.485 -4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.065 -14.236 -5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.389 -16.483 -4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.100 -16.653 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.005 -17.065 -6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.392 -17.164 -7.975 1.00 0.00 H new ATOM 112 N ARG A 11 -2.970 -11.576 -4.975 1.00 0.00 N ATOM 113 CA ARG A 11 -3.266 -10.228 -5.447 1.00 0.00 C ATOM 114 C ARG A 11 -1.981 -9.478 -5.794 1.00 0.00 C ATOM 115 O ARG A 11 -0.934 -9.711 -5.189 1.00 0.00 O ATOM 116 CB ARG A 11 -4.051 -9.454 -4.387 1.00 0.00 C ATOM 117 CG ARG A 11 -5.347 -10.132 -3.974 1.00 0.00 C ATOM 118 CD ARG A 11 -6.466 -9.853 -4.966 1.00 0.00 C ATOM 119 NE ARG A 11 -7.658 -9.320 -4.310 1.00 0.00 N ATOM 120 CZ ARG A 11 -8.393 -10.004 -3.437 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.063 -11.248 -3.112 1.00 0.00 N ATOM 122 NH2 ARG A 11 -9.462 -9.445 -2.887 1.00 0.00 N ATOM 0 H ARG A 11 -3.292 -11.771 -4.027 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.872 -10.311 -6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.423 -9.322 -3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.277 -8.459 -4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.187 -11.208 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.642 -9.783 -2.984 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.117 -9.143 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.722 -10.773 -5.492 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.944 -8.367 -4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.242 -11.684 -3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.630 -11.768 -2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.722 -8.490 -3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.025 -9.970 -2.218 1.00 0.00 H new ATOM 136 N PRO A 12 -2.045 -8.565 -6.778 1.00 0.00 N ATOM 137 CA PRO A 12 -0.881 -7.780 -7.203 1.00 0.00 C ATOM 138 C PRO A 12 -0.181 -7.098 -6.033 1.00 0.00 C ATOM 139 O PRO A 12 -0.651 -7.155 -4.897 1.00 0.00 O ATOM 140 CB PRO A 12 -1.481 -6.737 -8.148 1.00 0.00 C ATOM 141 CG PRO A 12 -2.720 -7.374 -8.672 1.00 0.00 C ATOM 142 CD PRO A 12 -3.253 -8.225 -7.553 1.00 0.00 C ATOM 0 HA PRO A 12 -0.117 -8.405 -7.665 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.704 -5.808 -7.623 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.791 -6.489 -8.955 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.449 -6.621 -8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.505 -7.978 -9.554 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.980 -7.684 -6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.753 -9.117 -7.930 1.00 0.00 H new ATOM 150 N PHE A 13 0.946 -6.454 -6.319 1.00 0.00 N ATOM 151 CA PHE A 13 1.711 -5.759 -5.289 1.00 0.00 C ATOM 152 C PHE A 13 1.145 -4.365 -5.037 1.00 0.00 C ATOM 153 O PHE A 13 1.230 -3.842 -3.925 1.00 0.00 O ATOM 154 CB PHE A 13 3.181 -5.658 -5.700 1.00 0.00 C ATOM 155 CG PHE A 13 4.067 -5.091 -4.627 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.489 -5.881 -3.569 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.477 -3.769 -4.676 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.304 -5.362 -2.581 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.291 -3.244 -3.691 1.00 0.00 C ATOM 160 CZ PHE A 13 5.705 -4.042 -2.641 1.00 0.00 C ATOM 0 H PHE A 13 1.350 -6.399 -7.254 1.00 0.00 H new ATOM 0 HA PHE A 13 1.636 -6.333 -4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.543 -6.650 -5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.259 -5.035 -6.591 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.177 -6.914 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.156 -3.141 -5.494 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.627 -5.988 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.603 -2.211 -3.741 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.341 -3.634 -1.869 1.00 0.00 H new ATOM 170 N ARG A 14 0.569 -3.769 -6.075 1.00 0.00 N ATOM 171 CA ARG A 14 -0.010 -2.435 -5.966 1.00 0.00 C ATOM 172 C ARG A 14 -1.192 -2.432 -5.002 1.00 0.00 C ATOM 173 O ARG A 14 -1.368 -1.496 -4.222 1.00 0.00 O ATOM 174 CB ARG A 14 -0.455 -1.937 -7.344 1.00 0.00 C ATOM 175 CG ARG A 14 0.064 -0.550 -7.685 1.00 0.00 C ATOM 176 CD ARG A 14 -0.136 -0.225 -9.158 1.00 0.00 C ATOM 177 NE ARG A 14 -1.505 0.201 -9.444 1.00 0.00 N ATOM 178 CZ ARG A 14 -2.499 -0.634 -9.741 1.00 0.00 C ATOM 179 NH1 ARG A 14 -2.287 -1.944 -9.796 1.00 0.00 N ATOM 180 NH2 ARG A 14 -3.711 -0.156 -9.987 1.00 0.00 N ATOM 0 H ARG A 14 0.491 -4.188 -7.001 1.00 0.00 H new ATOM 0 HA ARG A 14 0.754 -1.763 -5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.114 -2.641 -8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.544 -1.928 -7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.451 0.192 -7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.124 -0.486 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.558 0.562 -9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.104 -1.102 -9.759 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.712 1.199 -9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.357 -2.318 -9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.055 -2.576 -10.024 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.880 0.849 -9.949 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.474 -0.793 -10.215 1.00 0.00 H new ATOM 194 N ASP A 15 -2.002 -3.485 -5.061 1.00 0.00 N ATOM 195 CA ASP A 15 -3.167 -3.604 -4.194 1.00 0.00 C ATOM 196 C ASP A 15 -2.748 -3.778 -2.737 1.00 0.00 C ATOM 197 O ASP A 15 -3.447 -3.341 -1.823 1.00 0.00 O ATOM 198 CB ASP A 15 -4.037 -4.784 -4.630 1.00 0.00 C ATOM 199 CG ASP A 15 -4.498 -4.661 -6.069 1.00 0.00 C ATOM 200 OD1 ASP A 15 -3.660 -4.339 -6.937 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.700 -4.886 -6.329 1.00 0.00 O ATOM 0 H ASP A 15 -1.872 -4.268 -5.701 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.745 -2.684 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.475 -5.710 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.907 -4.851 -3.977 1.00 0.00 H new ATOM 206 N ARG A 16 -1.604 -4.421 -2.529 1.00 0.00 N ATOM 207 CA ARG A 16 -1.091 -4.654 -1.184 1.00 0.00 C ATOM 208 C ARG A 16 -0.687 -3.343 -0.519 1.00 0.00 C ATOM 209 O ARG A 16 -1.100 -3.051 0.603 1.00 0.00 O ATOM 210 CB ARG A 16 0.104 -5.608 -1.229 1.00 0.00 C ATOM 211 CG ARG A 16 -0.289 -7.075 -1.291 1.00 0.00 C ATOM 212 CD ARG A 16 0.688 -7.882 -2.132 1.00 0.00 C ATOM 213 NE ARG A 16 1.304 -8.964 -1.368 1.00 0.00 N ATOM 214 CZ ARG A 16 2.221 -8.774 -0.422 1.00 0.00 C ATOM 215 NH1 ARG A 16 2.632 -7.548 -0.123 1.00 0.00 N ATOM 216 NH2 ARG A 16 2.729 -9.814 0.226 1.00 0.00 N ATOM 0 H ARG A 16 -1.014 -4.790 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.887 -5.108 -0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.717 -5.368 -2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.723 -5.443 -0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.326 -7.485 -0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.291 -7.166 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.167 -8.298 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.465 -7.222 -2.518 1.00 0.00 H new ATOM 0 HE ARG A 16 1.015 -9.921 -1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.245 -6.745 -0.619 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.335 -7.409 0.603 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.417 -10.758 -0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.432 -9.669 0.951 1.00 0.00 H new ATOM 230 N VAL A 17 0.124 -2.555 -1.218 1.00 0.00 N ATOM 231 CA VAL A 17 0.585 -1.275 -0.695 1.00 0.00 C ATOM 232 C VAL A 17 -0.551 -0.260 -0.645 1.00 0.00 C ATOM 233 O VAL A 17 -0.604 0.584 0.250 1.00 0.00 O ATOM 234 CB VAL A 17 1.734 -0.701 -1.546 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.331 0.528 -0.877 1.00 0.00 C ATOM 236 CG2 VAL A 17 2.800 -1.759 -1.786 1.00 0.00 C ATOM 0 H VAL A 17 0.475 -2.781 -2.149 1.00 0.00 H new ATOM 0 HA VAL A 17 0.949 -1.459 0.316 1.00 0.00 H new ATOM 0 HB VAL A 17 1.331 -0.399 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.141 0.920 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.561 1.291 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.720 0.255 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.604 -1.336 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.202 -2.094 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.360 -2.606 -2.312 1.00 0.00 H new ATOM 246 N LEU A 18 -1.459 -0.345 -1.613 1.00 0.00 N ATOM 247 CA LEU A 18 -2.594 0.568 -1.679 1.00 0.00 C ATOM 248 C LEU A 18 -3.521 0.371 -0.484 1.00 0.00 C ATOM 249 O LEU A 18 -4.159 1.315 -0.019 1.00 0.00 O ATOM 250 CB LEU A 18 -3.369 0.358 -2.981 1.00 0.00 C ATOM 251 CG LEU A 18 -4.614 1.232 -3.142 1.00 0.00 C ATOM 252 CD1 LEU A 18 -4.226 2.697 -3.264 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.422 0.789 -4.352 1.00 0.00 C ATOM 0 H LEU A 18 -1.430 -1.037 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.210 1.588 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.699 0.549 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.668 -0.688 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.234 1.116 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.125 3.303 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.690 3.007 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.585 2.832 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.304 1.421 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.810 0.876 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.732 -0.248 -4.223 1.00 0.00 H new ATOM 265 N HIS A 19 -3.593 -0.863 0.006 1.00 0.00 N ATOM 266 CA HIS A 19 -4.444 -1.183 1.146 1.00 0.00 C ATOM 267 C HIS A 19 -3.729 -0.889 2.461 1.00 0.00 C ATOM 268 O HIS A 19 -4.354 -0.490 3.443 1.00 0.00 O ATOM 269 CB HIS A 19 -4.863 -2.653 1.099 1.00 0.00 C ATOM 270 CG HIS A 19 -6.044 -2.910 0.216 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.954 -3.425 -1.059 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.368 -2.715 0.447 1.00 0.00 C ATOM 273 CE1 HIS A 19 -7.196 -3.523 -1.552 1.00 0.00 C ATOM 274 NE2 HIS A 19 -8.091 -3.105 -0.678 1.00 0.00 N ATOM 0 H HIS A 19 -3.073 -1.656 -0.368 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.333 -0.556 1.089 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -4.021 -3.251 0.750 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.095 -2.989 2.110 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.094 -3.685 -1.542 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.793 -2.320 1.358 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.433 -3.896 -2.537 1.00 0.00 H new ATOM 282 N LEU A 20 -2.415 -1.087 2.471 1.00 0.00 N ATOM 283 CA LEU A 20 -1.615 -0.843 3.665 1.00 0.00 C ATOM 284 C LEU A 20 -1.679 0.625 4.075 1.00 0.00 C ATOM 285 O LEU A 20 -2.075 0.950 5.194 1.00 0.00 O ATOM 286 CB LEU A 20 -0.161 -1.256 3.423 1.00 0.00 C ATOM 287 CG LEU A 20 0.151 -2.724 3.714 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.209 -3.246 2.753 1.00 0.00 C ATOM 289 CD2 LEU A 20 0.607 -2.896 5.156 1.00 0.00 C ATOM 0 H LEU A 20 -1.882 -1.416 1.666 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.026 -1.444 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.093 -1.045 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.485 -0.633 4.041 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.760 -3.305 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.418 -4.292 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.846 -3.158 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.122 -2.662 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.825 -3.947 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.505 -2.303 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.182 -2.562 5.829 1.00 0.00 H new ATOM 301 N LEU A 21 -1.288 1.507 3.160 1.00 0.00 N ATOM 302 CA LEU A 21 -1.302 2.942 3.428 1.00 0.00 C ATOM 303 C LEU A 21 -2.719 3.428 3.721 1.00 0.00 C ATOM 304 O LEU A 21 -2.911 4.401 4.451 1.00 0.00 O ATOM 305 CB LEU A 21 -0.724 3.710 2.238 1.00 0.00 C ATOM 306 CG LEU A 21 0.623 3.197 1.727 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.093 4.023 0.540 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.660 3.223 2.840 1.00 0.00 C ATOM 0 H LEU A 21 -0.958 1.254 2.228 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.684 3.128 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.443 3.675 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.613 4.757 2.520 1.00 0.00 H new ATOM 0 HG LEU A 21 0.496 2.165 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.053 3.643 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.360 3.954 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.203 5.064 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.612 2.855 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.783 4.245 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.328 2.588 3.661 1.00 0.00 H new ATOM 320 N ALA A 22 -3.706 2.746 3.149 1.00 0.00 N ATOM 321 CA ALA A 22 -5.104 3.111 3.350 1.00 0.00 C ATOM 322 C ALA A 22 -5.469 3.097 4.830 1.00 0.00 C ATOM 323 O ALA A 22 -6.256 3.924 5.294 1.00 0.00 O ATOM 324 CB ALA A 22 -6.011 2.170 2.572 1.00 0.00 C ATOM 0 H ALA A 22 -3.564 1.938 2.543 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.246 4.126 2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.051 2.453 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.776 2.233 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.857 1.148 2.917 1.00 0.00 H new ATOM 330 N LEU A 23 -4.893 2.153 5.568 1.00 0.00 N ATOM 331 CA LEU A 23 -5.159 2.032 6.997 1.00 0.00 C ATOM 332 C LEU A 23 -4.448 3.132 7.779 1.00 0.00 C ATOM 333 O LEU A 23 -5.085 3.928 8.468 1.00 0.00 O ATOM 334 CB LEU A 23 -4.712 0.659 7.504 1.00 0.00 C ATOM 335 CG LEU A 23 -5.763 -0.447 7.388 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.236 -1.747 7.975 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.052 -0.032 8.080 1.00 0.00 C ATOM 0 H LEU A 23 -4.240 1.461 5.200 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.233 2.138 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.824 0.355 6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.419 0.752 8.550 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.977 -0.609 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.997 -2.522 7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.340 -2.053 7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.993 -1.599 9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.788 -0.831 7.987 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.854 0.158 9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.439 0.874 7.614 1.00 0.00 H new ATOM 349 N ARG A 24 -3.124 3.170 7.666 1.00 0.00 N ATOM 350 CA ARG A 24 -2.326 4.172 8.362 1.00 0.00 C ATOM 351 C ARG A 24 -0.991 4.392 7.654 1.00 0.00 C ATOM 352 O ARG A 24 -0.546 3.548 6.876 1.00 0.00 O ATOM 353 CB ARG A 24 -2.085 3.746 9.811 1.00 0.00 C ATOM 354 CG ARG A 24 -1.266 2.471 9.941 1.00 0.00 C ATOM 355 CD ARG A 24 -0.859 2.218 11.384 1.00 0.00 C ATOM 356 NE ARG A 24 0.113 3.198 11.860 1.00 0.00 N ATOM 357 CZ ARG A 24 1.399 3.196 11.516 1.00 0.00 C ATOM 358 NH1 ARG A 24 1.871 2.267 10.694 1.00 0.00 N ATOM 359 NH2 ARG A 24 2.215 4.125 11.994 1.00 0.00 N ATOM 0 H ARG A 24 -2.582 2.518 7.099 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.879 5.111 8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.574 4.552 10.338 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.047 3.602 10.304 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.846 1.625 9.571 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.375 2.544 9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.744 2.247 12.020 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.436 1.217 11.471 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.213 3.928 12.494 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.248 1.550 10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.857 2.270 10.434 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.858 4.842 12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.200 4.123 11.730 1.00 0.00 H new ATOM 373 N PRO A 25 -0.332 5.533 7.916 1.00 0.00 N ATOM 374 CA PRO A 25 0.958 5.858 7.300 1.00 0.00 C ATOM 375 C PRO A 25 1.973 4.730 7.451 1.00 0.00 C ATOM 376 O PRO A 25 1.966 4.004 8.445 1.00 0.00 O ATOM 377 CB PRO A 25 1.418 7.098 8.071 1.00 0.00 C ATOM 378 CG PRO A 25 0.160 7.727 8.559 1.00 0.00 C ATOM 379 CD PRO A 25 -0.791 6.595 8.832 1.00 0.00 C ATOM 0 HA PRO A 25 0.868 6.017 6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.073 6.829 8.899 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.978 7.778 7.429 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.340 8.311 9.461 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.249 8.409 7.814 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.746 6.275 9.873 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.824 6.880 8.631 1.00 0.00 H new ATOM 387 N TYR A 26 2.845 4.590 6.458 1.00 0.00 N ATOM 388 CA TYR A 26 3.867 3.551 6.479 1.00 0.00 C ATOM 389 C TYR A 26 5.121 4.006 5.741 1.00 0.00 C ATOM 390 O TYR A 26 5.165 4.003 4.511 1.00 0.00 O ATOM 391 CB TYR A 26 3.329 2.265 5.848 1.00 0.00 C ATOM 392 CG TYR A 26 2.704 1.315 6.845 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.491 0.592 7.733 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.327 1.139 6.897 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.924 -0.279 8.644 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.752 0.271 7.806 1.00 0.00 C ATOM 397 CZ TYR A 26 1.555 -0.434 8.677 1.00 0.00 C ATOM 398 OH TYR A 26 0.986 -1.300 9.583 1.00 0.00 O ATOM 0 H TYR A 26 2.864 5.183 5.629 1.00 0.00 H new ATOM 0 HA TYR A 26 4.130 3.356 7.519 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.588 2.524 5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.143 1.754 5.334 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.564 0.713 7.711 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.695 1.690 6.216 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.550 -0.835 9.326 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.320 0.146 7.834 1.00 0.00 H new ATOM 0 HH TYR A 26 0.012 -1.292 9.476 1.00 0.00 H new ATOM 408 N ARG A 27 6.139 4.399 6.499 1.00 0.00 N ATOM 409 CA ARG A 27 7.394 4.857 5.916 1.00 0.00 C ATOM 410 C ARG A 27 8.021 3.769 5.050 1.00 0.00 C ATOM 411 O ARG A 27 7.524 2.644 4.994 1.00 0.00 O ATOM 412 CB ARG A 27 8.372 5.277 7.016 1.00 0.00 C ATOM 413 CG ARG A 27 7.792 6.287 7.993 1.00 0.00 C ATOM 414 CD ARG A 27 8.346 6.089 9.394 1.00 0.00 C ATOM 415 NE ARG A 27 9.800 6.233 9.432 1.00 0.00 N ATOM 416 CZ ARG A 27 10.526 6.136 10.544 1.00 0.00 C ATOM 417 NH1 ARG A 27 9.939 5.893 11.709 1.00 0.00 N ATOM 418 NH2 ARG A 27 11.844 6.280 10.490 1.00 0.00 N ATOM 0 H ARG A 27 6.119 4.409 7.519 1.00 0.00 H new ATOM 0 HA ARG A 27 7.178 5.719 5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.688 4.391 7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.264 5.701 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.018 7.297 7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.706 6.193 8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.892 6.814 10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.070 5.099 9.757 1.00 0.00 H new ATOM 0 HE ARG A 27 10.287 6.419 8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.926 5.779 11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.500 5.820 12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.301 6.465 9.597 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.400 6.206 11.342 1.00 0.00 H new ATOM 432 N LYS A 28 9.114 4.111 4.375 1.00 0.00 N ATOM 433 CA LYS A 28 9.806 3.162 3.512 1.00 0.00 C ATOM 434 C LYS A 28 10.288 1.952 4.307 1.00 0.00 C ATOM 435 O LYS A 28 10.067 0.808 3.909 1.00 0.00 O ATOM 436 CB LYS A 28 10.992 3.840 2.823 1.00 0.00 C ATOM 437 CG LYS A 28 10.607 5.075 2.027 1.00 0.00 C ATOM 438 CD LYS A 28 11.653 5.410 0.976 1.00 0.00 C ATOM 439 CE LYS A 28 12.892 6.031 1.601 1.00 0.00 C ATOM 440 NZ LYS A 28 12.906 7.513 1.454 1.00 0.00 N ATOM 0 H LYS A 28 9.539 5.038 4.409 1.00 0.00 H new ATOM 0 HA LYS A 28 9.102 2.818 2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.729 4.119 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.473 3.124 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.644 4.912 1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.485 5.921 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.931 4.505 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.229 6.099 0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.934 5.771 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.783 5.612 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.767 7.897 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.892 7.762 0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.069 7.916 1.922 1.00 0.00 H new ATOM 454 N ALA A 29 10.945 2.213 5.432 1.00 0.00 N ATOM 455 CA ALA A 29 11.456 1.144 6.282 1.00 0.00 C ATOM 456 C ALA A 29 10.327 0.468 7.053 1.00 0.00 C ATOM 457 O ALA A 29 10.391 -0.725 7.348 1.00 0.00 O ATOM 458 CB ALA A 29 12.501 1.690 7.243 1.00 0.00 C ATOM 0 H ALA A 29 11.136 3.154 5.776 1.00 0.00 H new ATOM 0 HA ALA A 29 11.922 0.395 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.874 0.882 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.327 2.120 6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.052 2.460 7.870 1.00 0.00 H new ATOM 464 N GLU A 30 9.294 1.239 7.375 1.00 0.00 N ATOM 465 CA GLU A 30 8.150 0.716 8.111 1.00 0.00 C ATOM 466 C GLU A 30 7.300 -0.191 7.225 1.00 0.00 C ATOM 467 O GLU A 30 6.683 -1.143 7.703 1.00 0.00 O ATOM 468 CB GLU A 30 7.298 1.866 8.656 1.00 0.00 C ATOM 469 CG GLU A 30 7.173 1.866 10.171 1.00 0.00 C ATOM 470 CD GLU A 30 5.807 2.324 10.641 1.00 0.00 C ATOM 471 OE1 GLU A 30 4.798 1.901 10.038 1.00 0.00 O ATOM 472 OE2 GLU A 30 5.745 3.105 11.614 1.00 0.00 O ATOM 0 H GLU A 30 9.226 2.229 7.138 1.00 0.00 H new ATOM 0 HA GLU A 30 8.526 0.126 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.733 2.813 8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.302 1.808 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.365 0.862 10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.937 2.518 10.595 1.00 0.00 H new ATOM 479 N LEU A 31 7.274 0.111 5.931 1.00 0.00 N ATOM 480 CA LEU A 31 6.501 -0.675 4.978 1.00 0.00 C ATOM 481 C LEU A 31 7.327 -1.835 4.430 1.00 0.00 C ATOM 482 O LEU A 31 6.795 -2.906 4.140 1.00 0.00 O ATOM 483 CB LEU A 31 6.019 0.211 3.827 1.00 0.00 C ATOM 484 CG LEU A 31 4.886 -0.379 2.986 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.720 -0.787 3.874 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.431 0.617 1.930 1.00 0.00 C ATOM 0 H LEU A 31 7.780 0.895 5.519 1.00 0.00 H new ATOM 0 HA LEU A 31 5.636 -1.084 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.688 1.165 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.865 0.422 3.173 1.00 0.00 H new ATOM 0 HG LEU A 31 5.260 -1.269 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.923 -1.205 3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.054 -1.536 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.346 0.087 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.624 0.180 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.075 1.525 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.268 0.860 1.275 1.00 0.00 H new ATOM 498 N LEU A 32 8.629 -1.613 4.291 1.00 0.00 N ATOM 499 CA LEU A 32 9.528 -2.640 3.778 1.00 0.00 C ATOM 500 C LEU A 32 9.529 -3.866 4.686 1.00 0.00 C ATOM 501 O LEU A 32 9.312 -4.989 4.228 1.00 0.00 O ATOM 502 CB LEU A 32 10.950 -2.086 3.650 1.00 0.00 C ATOM 503 CG LEU A 32 11.237 -1.336 2.348 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.582 -0.631 2.425 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.201 -2.293 1.165 1.00 0.00 C ATOM 0 H LEU A 32 9.085 -0.732 4.526 1.00 0.00 H new ATOM 0 HA LEU A 32 9.171 -2.940 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.139 -1.415 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.655 -2.912 3.739 1.00 0.00 H new ATOM 0 HG LEU A 32 10.463 -0.582 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.770 -0.103 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.572 0.082 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.369 -1.366 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.407 -1.744 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.955 -3.068 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.215 -2.753 1.099 1.00 0.00 H new ATOM 517 N LEU A 33 9.776 -3.644 5.972 1.00 0.00 N ATOM 518 CA LEU A 33 9.804 -4.731 6.943 1.00 0.00 C ATOM 519 C LEU A 33 8.454 -5.439 7.008 1.00 0.00 C ATOM 520 O LEU A 33 8.385 -6.640 7.270 1.00 0.00 O ATOM 521 CB LEU A 33 10.181 -4.198 8.327 1.00 0.00 C ATOM 522 CG LEU A 33 11.641 -3.768 8.479 1.00 0.00 C ATOM 523 CD1 LEU A 33 11.791 -2.788 9.633 1.00 0.00 C ATOM 524 CD2 LEU A 33 12.533 -4.983 8.690 1.00 0.00 C ATOM 0 H LEU A 33 9.960 -2.721 6.366 1.00 0.00 H new ATOM 0 HA LEU A 33 10.556 -5.451 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.541 -3.346 8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.966 -4.969 9.067 1.00 0.00 H new ATOM 0 HG LEU A 33 11.951 -3.268 7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.836 -2.493 9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.180 -1.905 9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.464 -3.263 10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.569 -4.660 8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.223 -5.510 9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.447 -5.651 7.833 1.00 0.00 H new ATOM 536 N ARG A 34 7.386 -4.687 6.770 1.00 0.00 N ATOM 537 CA ARG A 34 6.037 -5.242 6.801 1.00 0.00 C ATOM 538 C ARG A 34 5.821 -6.212 5.644 1.00 0.00 C ATOM 539 O ARG A 34 5.480 -7.377 5.852 1.00 0.00 O ATOM 540 CB ARG A 34 4.999 -4.117 6.747 1.00 0.00 C ATOM 541 CG ARG A 34 4.239 -3.929 8.050 1.00 0.00 C ATOM 542 CD ARG A 34 3.517 -5.202 8.464 1.00 0.00 C ATOM 543 NE ARG A 34 2.154 -4.935 8.919 1.00 0.00 N ATOM 544 CZ ARG A 34 1.436 -5.786 9.646 1.00 0.00 C ATOM 545 NH1 ARG A 34 1.944 -6.959 10.003 1.00 0.00 N ATOM 546 NH2 ARG A 34 0.204 -5.464 10.018 1.00 0.00 N ATOM 0 H ARG A 34 7.427 -3.691 6.553 1.00 0.00 H new ATOM 0 HA ARG A 34 5.916 -5.791 7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.500 -3.184 6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.288 -4.328 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.932 -3.631 8.837 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.517 -3.120 7.938 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.489 -5.893 7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.076 -5.693 9.261 1.00 0.00 H new ATOM 0 HE ARG A 34 1.729 -4.044 8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.891 -7.212 9.720 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.388 -7.607 10.561 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.192 -4.564 9.746 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.347 -6.116 10.576 1.00 0.00 H new ATOM 560 N LEU A 35 6.019 -5.723 4.424 1.00 0.00 N ATOM 561 CA LEU A 35 5.844 -6.547 3.232 1.00 0.00 C ATOM 562 C LEU A 35 6.780 -7.752 3.261 1.00 0.00 C ATOM 563 O LEU A 35 6.455 -8.814 2.730 1.00 0.00 O ATOM 564 CB LEU A 35 6.099 -5.718 1.972 1.00 0.00 C ATOM 565 CG LEU A 35 5.165 -4.522 1.783 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.859 -3.423 0.996 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.884 -4.954 1.085 1.00 0.00 C ATOM 0 H LEU A 35 6.301 -4.761 4.234 1.00 0.00 H new ATOM 0 HA LEU A 35 4.816 -6.909 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.127 -5.356 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.010 -6.370 1.103 1.00 0.00 H new ATOM 0 HG LEU A 35 4.905 -4.127 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.179 -2.580 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.748 -3.096 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.148 -3.804 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.230 -4.091 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.125 -5.373 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.377 -5.708 1.688 1.00 0.00 H new ATOM 579 N GLN A 36 7.940 -7.580 3.884 1.00 0.00 N ATOM 580 CA GLN A 36 8.922 -8.654 3.981 1.00 0.00 C ATOM 581 C GLN A 36 8.347 -9.849 4.736 1.00 0.00 C ATOM 582 O GLN A 36 8.708 -10.996 4.468 1.00 0.00 O ATOM 583 CB GLN A 36 10.189 -8.153 4.678 1.00 0.00 C ATOM 584 CG GLN A 36 11.470 -8.502 3.936 1.00 0.00 C ATOM 585 CD GLN A 36 12.280 -9.572 4.640 1.00 0.00 C ATOM 586 OE1 GLN A 36 11.804 -10.211 5.578 1.00 0.00 O ATOM 587 NE2 GLN A 36 13.512 -9.773 4.191 1.00 0.00 N ATOM 0 H GLN A 36 8.224 -6.707 4.329 1.00 0.00 H new ATOM 0 HA GLN A 36 9.176 -8.975 2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 36 10.128 -7.071 4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.233 -8.576 5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.222 -8.842 2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 36 12.078 -7.604 3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 36 13.867 -9.220 3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.104 -10.480 4.626 1.00 0.00 H new ATOM 596 N LYS A 37 7.453 -9.573 5.678 1.00 0.00 N ATOM 597 CA LYS A 37 6.829 -10.625 6.472 1.00 0.00 C ATOM 598 C LYS A 37 5.902 -11.479 5.613 1.00 0.00 C ATOM 599 O LYS A 37 5.822 -12.695 5.786 1.00 0.00 O ATOM 600 CB LYS A 37 6.046 -10.018 7.637 1.00 0.00 C ATOM 601 CG LYS A 37 6.918 -9.280 8.639 1.00 0.00 C ATOM 602 CD LYS A 37 6.100 -8.745 9.804 1.00 0.00 C ATOM 603 CE LYS A 37 6.230 -9.632 11.031 1.00 0.00 C ATOM 604 NZ LYS A 37 5.089 -10.582 11.153 1.00 0.00 N ATOM 0 H LYS A 37 7.144 -8.629 5.911 1.00 0.00 H new ATOM 0 HA LYS A 37 7.619 -11.263 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.299 -9.329 7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.506 -10.812 8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.691 -9.951 9.014 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.427 -8.455 8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.430 -7.735 10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.052 -8.677 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.164 -10.191 10.977 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.282 -9.010 11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.215 -11.169 12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.200 -10.048 11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.054 -11.193 10.312 1.00 0.00 H new ATOM 618 N ASP A 38 5.203 -10.834 4.684 1.00 0.00 N ATOM 619 CA ASP A 38 4.282 -11.535 3.797 1.00 0.00 C ATOM 620 C ASP A 38 5.004 -12.046 2.554 1.00 0.00 C ATOM 621 O ASP A 38 4.641 -13.079 1.994 1.00 0.00 O ATOM 622 CB ASP A 38 3.131 -10.612 3.389 1.00 0.00 C ATOM 623 CG ASP A 38 1.953 -10.703 4.339 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.285 -11.759 4.358 1.00 0.00 O ATOM 625 OD2 ASP A 38 1.698 -9.719 5.065 1.00 0.00 O ATOM 0 H ASP A 38 5.257 -9.828 4.526 1.00 0.00 H new ATOM 0 HA ASP A 38 3.878 -12.391 4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.489 -9.583 3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.803 -10.868 2.382 1.00 0.00 H new ATOM 630 N GLY A 39 6.028 -11.312 2.128 1.00 0.00 N ATOM 631 CA GLY A 39 6.785 -11.707 0.955 1.00 0.00 C ATOM 632 C GLY A 39 7.265 -10.515 0.148 1.00 0.00 C ATOM 633 O GLY A 39 6.516 -9.958 -0.654 1.00 0.00 O ATOM 0 H GLY A 39 6.346 -10.452 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.644 -12.303 1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.166 -12.344 0.324 1.00 0.00 H new ATOM 637 N LEU A 40 8.517 -10.126 0.360 1.00 0.00 N ATOM 638 CA LEU A 40 9.097 -8.994 -0.353 1.00 0.00 C ATOM 639 C LEU A 40 10.416 -9.384 -1.013 1.00 0.00 C ATOM 640 O LEU A 40 11.444 -9.503 -0.348 1.00 0.00 O ATOM 641 CB LEU A 40 9.321 -7.822 0.605 1.00 0.00 C ATOM 642 CG LEU A 40 9.796 -6.527 -0.057 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.695 -5.937 -0.926 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.240 -5.524 0.997 1.00 0.00 C ATOM 0 H LEU A 40 9.150 -10.578 1.020 1.00 0.00 H new ATOM 0 HA LEU A 40 8.397 -8.690 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.389 -7.621 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.055 -8.120 1.354 1.00 0.00 H new ATOM 0 HG LEU A 40 10.649 -6.758 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.051 -5.016 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.422 -6.652 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.822 -5.720 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.575 -4.608 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.404 -5.298 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.060 -5.946 1.579 1.00 0.00 H new ATOM 656 N THR A 41 10.377 -9.583 -2.328 1.00 0.00 N ATOM 657 CA THR A 41 11.568 -9.961 -3.078 1.00 0.00 C ATOM 658 C THR A 41 12.486 -8.759 -3.282 1.00 0.00 C ATOM 659 O THR A 41 12.210 -7.665 -2.792 1.00 0.00 O ATOM 660 CB THR A 41 11.177 -10.554 -4.433 1.00 0.00 C ATOM 661 OG1 THR A 41 10.419 -9.626 -5.187 1.00 0.00 O ATOM 662 CG2 THR A 41 10.364 -11.825 -4.317 1.00 0.00 C ATOM 0 H THR A 41 9.534 -9.489 -2.894 1.00 0.00 H new ATOM 0 HA THR A 41 12.106 -10.714 -2.502 1.00 0.00 H new ATOM 0 HB THR A 41 12.119 -10.788 -4.929 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.477 -9.680 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.120 -12.193 -5.314 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.942 -12.579 -3.783 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.443 -11.619 -3.771 1.00 0.00 H new ATOM 670 N GLN A 42 13.578 -8.972 -4.009 1.00 0.00 N ATOM 671 CA GLN A 42 14.537 -7.906 -4.278 1.00 0.00 C ATOM 672 C GLN A 42 13.949 -6.875 -5.237 1.00 0.00 C ATOM 673 O GLN A 42 14.205 -5.679 -5.109 1.00 0.00 O ATOM 674 CB GLN A 42 15.826 -8.487 -4.862 1.00 0.00 C ATOM 675 CG GLN A 42 17.085 -7.801 -4.357 1.00 0.00 C ATOM 676 CD GLN A 42 17.379 -6.508 -5.093 1.00 0.00 C ATOM 677 OE1 GLN A 42 17.107 -6.384 -6.287 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.938 -5.536 -4.381 1.00 0.00 N ATOM 0 H GLN A 42 13.821 -9.872 -4.422 1.00 0.00 H new ATOM 0 HA GLN A 42 14.765 -7.409 -3.335 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.879 -9.549 -4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.790 -8.409 -5.949 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.979 -7.593 -3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 42 17.932 -8.478 -4.467 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.146 -5.682 -3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.159 -4.643 -4.822 1.00 0.00 H new ATOM 687 N ALA A 43 13.160 -7.349 -6.196 1.00 0.00 N ATOM 688 CA ALA A 43 12.536 -6.468 -7.176 1.00 0.00 C ATOM 689 C ALA A 43 11.478 -5.584 -6.524 1.00 0.00 C ATOM 690 O ALA A 43 11.289 -4.434 -6.917 1.00 0.00 O ATOM 691 CB ALA A 43 11.922 -7.285 -8.302 1.00 0.00 C ATOM 0 H ALA A 43 12.938 -8.337 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 43 13.308 -5.820 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.459 -6.615 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.700 -7.870 -8.793 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.166 -7.956 -7.894 1.00 0.00 H new ATOM 697 N ASP A 44 10.792 -6.130 -5.525 1.00 0.00 N ATOM 698 CA ASP A 44 9.753 -5.392 -4.818 1.00 0.00 C ATOM 699 C ASP A 44 10.362 -4.437 -3.796 1.00 0.00 C ATOM 700 O ASP A 44 9.790 -3.390 -3.492 1.00 0.00 O ATOM 701 CB ASP A 44 8.794 -6.359 -4.122 1.00 0.00 C ATOM 702 CG ASP A 44 8.160 -7.341 -5.088 1.00 0.00 C ATOM 703 OD1 ASP A 44 7.626 -6.893 -6.124 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.199 -8.557 -4.809 1.00 0.00 O ATOM 0 H ASP A 44 10.937 -7.081 -5.187 1.00 0.00 H new ATOM 0 HA ASP A 44 9.198 -4.805 -5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.333 -6.909 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.011 -5.791 -3.620 1.00 0.00 H new ATOM 709 N LYS A 45 11.525 -4.806 -3.267 1.00 0.00 N ATOM 710 CA LYS A 45 12.210 -3.983 -2.278 1.00 0.00 C ATOM 711 C LYS A 45 12.512 -2.595 -2.838 1.00 0.00 C ATOM 712 O LYS A 45 12.334 -1.588 -2.154 1.00 0.00 O ATOM 713 CB LYS A 45 13.506 -4.663 -1.830 1.00 0.00 C ATOM 714 CG LYS A 45 13.577 -4.911 -0.331 1.00 0.00 C ATOM 715 CD LYS A 45 14.808 -4.266 0.286 1.00 0.00 C ATOM 716 CE LYS A 45 14.711 -2.749 0.272 1.00 0.00 C ATOM 717 NZ LYS A 45 15.604 -2.144 -0.754 1.00 0.00 N ATOM 0 H LYS A 45 12.012 -5.670 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 45 11.552 -3.869 -1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.607 -5.614 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.353 -4.045 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.680 -4.516 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.593 -5.984 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.926 -4.614 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.697 -4.579 -0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.680 -2.453 0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.973 -2.360 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.883 -1.189 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.453 -2.734 -0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.100 -2.086 -1.662 1.00 0.00 H new ATOM 731 N ASP A 46 12.969 -2.553 -4.084 1.00 0.00 N ATOM 732 CA ASP A 46 13.296 -1.290 -4.736 1.00 0.00 C ATOM 733 C ASP A 46 12.054 -0.667 -5.367 1.00 0.00 C ATOM 734 O ASP A 46 11.872 0.550 -5.332 1.00 0.00 O ATOM 735 CB ASP A 46 14.375 -1.505 -5.799 1.00 0.00 C ATOM 736 CG ASP A 46 15.566 -0.586 -5.609 1.00 0.00 C ATOM 737 OD1 ASP A 46 15.533 0.545 -6.139 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.530 -0.997 -4.931 1.00 0.00 O ATOM 0 H ASP A 46 13.122 -3.379 -4.663 1.00 0.00 H new ATOM 0 HA ASP A 46 13.677 -0.605 -3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.711 -2.541 -5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.946 -1.339 -6.787 1.00 0.00 H new ATOM 743 N ALA A 47 11.203 -1.509 -5.944 1.00 0.00 N ATOM 744 CA ALA A 47 9.979 -1.041 -6.582 1.00 0.00 C ATOM 745 C ALA A 47 9.085 -0.308 -5.588 1.00 0.00 C ATOM 746 O ALA A 47 8.337 0.597 -5.959 1.00 0.00 O ATOM 747 CB ALA A 47 9.231 -2.208 -7.208 1.00 0.00 C ATOM 0 H ALA A 47 11.339 -2.519 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 47 10.255 -0.337 -7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.319 -1.844 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.863 -2.685 -7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.975 -2.932 -6.435 1.00 0.00 H new ATOM 753 N LEU A 48 9.166 -0.707 -4.322 1.00 0.00 N ATOM 754 CA LEU A 48 8.364 -0.089 -3.272 1.00 0.00 C ATOM 755 C LEU A 48 8.656 1.406 -3.171 1.00 0.00 C ATOM 756 O LEU A 48 7.741 2.220 -3.053 1.00 0.00 O ATOM 757 CB LEU A 48 8.636 -0.767 -1.928 1.00 0.00 C ATOM 758 CG LEU A 48 7.747 -0.299 -0.775 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.281 -0.525 -1.107 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.122 -1.022 0.511 1.00 0.00 C ATOM 0 H LEU A 48 9.779 -1.455 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 48 7.313 -0.218 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.511 -1.843 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.678 -0.596 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 48 7.904 0.770 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.663 -0.186 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.021 0.036 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.107 -1.587 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.480 -0.678 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.992 -2.096 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.163 -0.811 0.757 1.00 0.00 H new ATOM 772 N ASP A 49 9.937 1.757 -3.216 1.00 0.00 N ATOM 773 CA ASP A 49 10.350 3.153 -3.128 1.00 0.00 C ATOM 774 C ASP A 49 9.746 3.973 -4.263 1.00 0.00 C ATOM 775 O ASP A 49 9.209 5.059 -4.042 1.00 0.00 O ATOM 776 CB ASP A 49 11.876 3.259 -3.163 1.00 0.00 C ATOM 777 CG ASP A 49 12.371 4.622 -2.723 1.00 0.00 C ATOM 778 OD1 ASP A 49 11.927 5.632 -3.307 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.204 4.680 -1.794 1.00 0.00 O ATOM 0 H ASP A 49 10.707 1.095 -3.313 1.00 0.00 H new ATOM 0 HA ASP A 49 9.986 3.553 -2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.305 2.494 -2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.228 3.057 -4.174 1.00 0.00 H new ATOM 784 N GLY A 50 9.838 3.447 -5.480 1.00 0.00 N ATOM 785 CA GLY A 50 9.297 4.144 -6.632 1.00 0.00 C ATOM 786 C GLY A 50 7.781 4.154 -6.645 1.00 0.00 C ATOM 787 O GLY A 50 7.163 5.174 -6.950 1.00 0.00 O ATOM 0 H GLY A 50 10.278 2.551 -5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.664 5.170 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.662 3.671 -7.543 1.00 0.00 H new ATOM 791 N LEU A 51 7.181 3.014 -6.315 1.00 0.00 N ATOM 792 CA LEU A 51 5.727 2.896 -6.291 1.00 0.00 C ATOM 793 C LEU A 51 5.128 3.781 -5.204 1.00 0.00 C ATOM 794 O LEU A 51 4.124 4.459 -5.425 1.00 0.00 O ATOM 795 CB LEU A 51 5.318 1.439 -6.061 1.00 0.00 C ATOM 796 CG LEU A 51 4.026 1.013 -6.759 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.333 0.366 -8.102 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.231 0.060 -5.876 1.00 0.00 C ATOM 0 H LEU A 51 7.678 2.160 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 51 5.344 3.227 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.127 0.792 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.206 1.274 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 51 3.422 1.903 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.402 0.069 -8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.860 1.078 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.958 -0.514 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.315 -0.233 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.829 -0.827 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.979 0.557 -4.939 1.00 0.00 H new ATOM 810 N LEU A 52 5.748 3.770 -4.029 1.00 0.00 N ATOM 811 CA LEU A 52 5.275 4.570 -2.905 1.00 0.00 C ATOM 812 C LEU A 52 5.249 6.053 -3.264 1.00 0.00 C ATOM 813 O LEU A 52 4.273 6.751 -2.988 1.00 0.00 O ATOM 814 CB LEU A 52 6.165 4.346 -1.682 1.00 0.00 C ATOM 815 CG LEU A 52 5.720 3.211 -0.759 1.00 0.00 C ATOM 816 CD1 LEU A 52 6.816 2.877 0.242 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.433 3.584 -0.038 1.00 0.00 C ATOM 0 H LEU A 52 6.580 3.215 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 52 4.259 4.254 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.180 4.141 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.203 5.270 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 52 5.529 2.327 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.482 2.067 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.714 2.567 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.038 3.757 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.131 2.765 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.597 4.481 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.648 3.773 -0.770 1.00 0.00 H new ATOM 829 N GLN A 53 6.326 6.528 -3.880 1.00 0.00 N ATOM 830 CA GLN A 53 6.425 7.928 -4.278 1.00 0.00 C ATOM 831 C GLN A 53 5.270 8.323 -5.194 1.00 0.00 C ATOM 832 O GLN A 53 4.931 9.501 -5.308 1.00 0.00 O ATOM 833 CB GLN A 53 7.759 8.188 -4.979 1.00 0.00 C ATOM 834 CG GLN A 53 8.942 8.268 -4.026 1.00 0.00 C ATOM 835 CD GLN A 53 9.698 9.577 -4.141 1.00 0.00 C ATOM 836 OE1 GLN A 53 10.887 9.595 -4.460 1.00 0.00 O ATOM 837 NE2 GLN A 53 9.010 10.683 -3.883 1.00 0.00 N ATOM 0 H GLN A 53 7.143 5.964 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 53 6.370 8.537 -3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.940 7.394 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.690 9.121 -5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.588 8.146 -3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.623 7.441 -4.228 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.026 10.622 -3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.466 11.593 -3.946 1.00 0.00 H new ATOM 846 N GLN A 54 4.669 7.332 -5.848 1.00 0.00 N ATOM 847 CA GLN A 54 3.555 7.580 -6.755 1.00 0.00 C ATOM 848 C GLN A 54 2.219 7.361 -6.050 1.00 0.00 C ATOM 849 O GLN A 54 1.312 8.188 -6.147 1.00 0.00 O ATOM 850 CB GLN A 54 3.654 6.669 -7.978 1.00 0.00 C ATOM 851 CG GLN A 54 4.367 7.309 -9.158 1.00 0.00 C ATOM 852 CD GLN A 54 4.093 6.591 -10.465 1.00 0.00 C ATOM 853 OE1 GLN A 54 3.888 7.221 -11.502 1.00 0.00 O ATOM 854 NE2 GLN A 54 4.089 5.263 -10.421 1.00 0.00 N ATOM 0 H GLN A 54 4.936 6.351 -5.766 1.00 0.00 H new ATOM 0 HA GLN A 54 3.608 8.619 -7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.179 5.756 -7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.650 6.378 -8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.053 8.349 -9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.441 7.315 -8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.264 4.781 -9.539 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.911 4.725 -11.269 1.00 0.00 H new ATOM 863 N VAL A 55 2.105 6.242 -5.343 1.00 0.00 N ATOM 864 CA VAL A 55 0.879 5.915 -4.624 1.00 0.00 C ATOM 865 C VAL A 55 0.977 6.314 -3.154 1.00 0.00 C ATOM 866 O VAL A 55 0.356 5.694 -2.291 1.00 0.00 O ATOM 867 CB VAL A 55 0.562 4.411 -4.713 1.00 0.00 C ATOM 868 CG1 VAL A 55 0.098 4.046 -6.114 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.773 3.583 -4.311 1.00 0.00 C ATOM 0 H VAL A 55 2.846 5.547 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 55 0.076 6.479 -5.098 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.247 4.188 -4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.122 2.979 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.801 4.612 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.883 4.285 -6.831 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.528 2.523 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.605 3.808 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.054 3.824 -3.286 1.00 0.00 H new ATOM 879 N ALA A 56 1.760 7.351 -2.878 1.00 0.00 N ATOM 880 CA ALA A 56 1.937 7.830 -1.512 1.00 0.00 C ATOM 881 C ALA A 56 2.719 9.139 -1.485 1.00 0.00 C ATOM 882 O ALA A 56 3.215 9.598 -2.514 1.00 0.00 O ATOM 883 CB ALA A 56 2.638 6.775 -0.670 1.00 0.00 C ATOM 0 H ALA A 56 2.281 7.875 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 56 0.950 8.020 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.764 7.146 0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.038 5.865 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.616 6.557 -1.100 1.00 0.00 H new ATOM 889 N ASN A 57 2.828 9.734 -0.302 1.00 0.00 N ATOM 890 CA ASN A 57 3.550 10.990 -0.142 1.00 0.00 C ATOM 891 C ASN A 57 4.335 11.005 1.166 1.00 0.00 C ATOM 892 O ASN A 57 3.894 10.453 2.174 1.00 0.00 O ATOM 893 CB ASN A 57 2.576 12.171 -0.178 1.00 0.00 C ATOM 894 CG ASN A 57 2.379 12.714 -1.579 1.00 0.00 C ATOM 895 OD1 ASN A 57 3.309 12.741 -2.385 1.00 0.00 O ATOM 896 ND2 ASN A 57 1.161 13.152 -1.878 1.00 0.00 N ATOM 0 H ASN A 57 2.425 9.366 0.560 1.00 0.00 H new ATOM 0 HA ASN A 57 4.254 11.082 -0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.613 11.857 0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.949 12.966 0.468 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.968 13.529 -2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.419 13.111 -1.180 1.00 0.00 H new ATOM 903 N MET A 58 5.503 11.641 1.142 1.00 0.00 N ATOM 904 CA MET A 58 6.351 11.730 2.324 1.00 0.00 C ATOM 905 C MET A 58 6.081 13.022 3.090 1.00 0.00 C ATOM 906 O MET A 58 6.153 14.114 2.527 1.00 0.00 O ATOM 907 CB MET A 58 7.827 11.655 1.925 1.00 0.00 C ATOM 908 CG MET A 58 8.617 10.616 2.703 1.00 0.00 C ATOM 909 SD MET A 58 10.125 10.110 1.855 1.00 0.00 S ATOM 910 CE MET A 58 9.543 8.674 0.958 1.00 0.00 C ATOM 0 H MET A 58 5.883 12.102 0.315 1.00 0.00 H new ATOM 0 HA MET A 58 6.116 10.888 2.975 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.896 11.429 0.861 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.285 12.633 2.074 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.874 11.019 3.683 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.990 9.741 2.873 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.360 8.257 0.369 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.186 7.924 1.664 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.729 8.965 0.295 1.00 0.00 H new ATOM 920 N SER A 59 5.769 12.890 4.375 1.00 0.00 N ATOM 921 CA SER A 59 5.487 14.047 5.215 1.00 0.00 C ATOM 922 C SER A 59 6.685 14.991 5.265 1.00 0.00 C ATOM 923 O SER A 59 7.808 14.601 4.948 1.00 0.00 O ATOM 924 CB SER A 59 5.117 13.599 6.631 1.00 0.00 C ATOM 925 OG SER A 59 4.067 14.391 7.160 1.00 0.00 O ATOM 0 H SER A 59 5.705 11.993 4.857 1.00 0.00 H new ATOM 0 HA SER A 59 4.644 14.583 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.815 12.552 6.617 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.991 13.670 7.278 1.00 0.00 H new ATOM 0 HG SER A 59 3.849 14.083 8.064 1.00 0.00 H new ATOM 931 N ALA A 60 6.437 16.233 5.665 1.00 0.00 N ATOM 932 CA ALA A 60 7.493 17.233 5.757 1.00 0.00 C ATOM 933 C ALA A 60 8.014 17.350 7.185 1.00 0.00 C ATOM 934 O ALA A 60 8.313 18.447 7.660 1.00 0.00 O ATOM 935 CB ALA A 60 6.988 18.580 5.264 1.00 0.00 C ATOM 0 H ALA A 60 5.512 16.571 5.931 1.00 0.00 H new ATOM 0 HA ALA A 60 8.319 16.914 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.787 19.318 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.671 18.492 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.143 18.898 5.875 1.00 0.00 H new ATOM 941 N LYS A 61 8.123 16.213 7.865 1.00 0.00 N ATOM 942 CA LYS A 61 8.608 16.189 9.240 1.00 0.00 C ATOM 943 C LYS A 61 8.793 14.754 9.725 1.00 0.00 C ATOM 944 O LYS A 61 9.852 14.393 10.239 1.00 0.00 O ATOM 945 CB LYS A 61 7.638 16.933 10.159 1.00 0.00 C ATOM 946 CG LYS A 61 8.327 17.839 11.166 1.00 0.00 C ATOM 947 CD LYS A 61 7.333 18.440 12.147 1.00 0.00 C ATOM 948 CE LYS A 61 6.980 19.872 11.777 1.00 0.00 C ATOM 949 NZ LYS A 61 8.139 20.792 11.949 1.00 0.00 N ATOM 0 H LYS A 61 7.882 15.297 7.486 1.00 0.00 H new ATOM 0 HA LYS A 61 9.576 16.690 9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.960 17.531 9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.028 16.206 10.695 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.080 17.271 11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.849 18.638 10.640 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.427 17.834 12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.753 18.416 13.153 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.640 19.906 10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.151 20.213 12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.794 21.763 12.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.695 20.499 12.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.739 20.757 11.100 1.00 0.00 H new ATOM 963 N ASP A 62 7.756 13.941 9.560 1.00 0.00 N ATOM 964 CA ASP A 62 7.804 12.546 9.979 1.00 0.00 C ATOM 965 C ASP A 62 8.591 11.704 8.981 1.00 0.00 C ATOM 966 O ASP A 62 9.499 10.963 9.358 1.00 0.00 O ATOM 967 CB ASP A 62 6.388 11.987 10.130 1.00 0.00 C ATOM 968 CG ASP A 62 5.615 12.663 11.247 1.00 0.00 C ATOM 969 OD1 ASP A 62 5.246 13.844 11.082 1.00 0.00 O ATOM 970 OD2 ASP A 62 5.379 12.010 12.284 1.00 0.00 O ATOM 0 H ASP A 62 6.871 14.224 9.139 1.00 0.00 H new ATOM 0 HA ASP A 62 8.310 12.501 10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.849 12.113 9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.442 10.916 10.326 1.00 0.00 H new ATOM 975 N GLY A 63 8.238 11.824 7.706 1.00 0.00 N ATOM 976 CA GLY A 63 8.922 11.070 6.672 1.00 0.00 C ATOM 977 C GLY A 63 8.256 9.739 6.386 1.00 0.00 C ATOM 978 O GLY A 63 8.931 8.742 6.131 1.00 0.00 O ATOM 0 H GLY A 63 7.490 12.430 7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.953 11.661 5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.955 10.898 6.976 1.00 0.00 H new ATOM 982 N THR A 64 6.928 9.722 6.429 1.00 0.00 N ATOM 983 CA THR A 64 6.173 8.501 6.172 1.00 0.00 C ATOM 984 C THR A 64 5.392 8.607 4.868 1.00 0.00 C ATOM 985 O THR A 64 5.004 9.698 4.450 1.00 0.00 O ATOM 986 CB THR A 64 5.216 8.210 7.326 1.00 0.00 C ATOM 987 OG1 THR A 64 4.365 7.123 7.012 1.00 0.00 O ATOM 988 CG2 THR A 64 4.338 9.389 7.689 1.00 0.00 C ATOM 0 H THR A 64 6.353 10.538 6.639 1.00 0.00 H new ATOM 0 HA THR A 64 6.885 7.680 6.085 1.00 0.00 H new ATOM 0 HB THR A 64 5.856 7.978 8.177 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.124 6.648 7.835 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.683 9.114 8.516 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.964 10.231 7.986 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.735 9.672 6.827 1.00 0.00 H new ATOM 996 N CYS A 65 5.164 7.465 4.233 1.00 0.00 N ATOM 997 CA CYS A 65 4.431 7.420 2.976 1.00 0.00 C ATOM 998 C CYS A 65 2.932 7.284 3.221 1.00 0.00 C ATOM 999 O CYS A 65 2.426 6.184 3.435 1.00 0.00 O ATOM 1000 CB CYS A 65 4.929 6.254 2.123 1.00 0.00 C ATOM 1001 SG CYS A 65 6.412 6.628 1.161 1.00 0.00 S ATOM 0 H CYS A 65 5.478 6.555 4.570 1.00 0.00 H new ATOM 0 HA CYS A 65 4.606 8.356 2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.135 5.404 2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.134 5.950 1.442 1.00 0.00 H new ATOM 0 HG CYS A 65 7.370 5.820 1.508 1.00 0.00 H new ATOM 1007 N THR A 66 2.228 8.411 3.189 1.00 0.00 N ATOM 1008 CA THR A 66 0.787 8.417 3.406 1.00 0.00 C ATOM 1009 C THR A 66 0.036 8.300 2.083 1.00 0.00 C ATOM 1010 O THR A 66 0.393 8.944 1.097 1.00 0.00 O ATOM 1011 CB THR A 66 0.365 9.696 4.132 1.00 0.00 C ATOM 1012 OG1 THR A 66 0.669 10.839 3.353 1.00 0.00 O ATOM 1013 CG2 THR A 66 1.034 9.867 5.479 1.00 0.00 C ATOM 0 H THR A 66 2.632 9.331 3.015 1.00 0.00 H new ATOM 0 HA THR A 66 0.535 7.555 4.024 1.00 0.00 H new ATOM 0 HB THR A 66 -0.710 9.599 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.390 11.646 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.691 10.793 5.941 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.778 9.025 6.122 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.115 9.906 5.346 1.00 0.00 H new ATOM 1021 N LEU A 67 -1.004 7.473 2.071 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.805 7.270 0.869 1.00 0.00 C ATOM 1023 C LEU A 67 -2.421 8.583 0.397 1.00 0.00 C ATOM 1024 O LEU A 67 -2.820 9.419 1.207 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.906 6.242 1.133 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.628 5.731 -0.116 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.669 4.962 -1.013 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.814 4.861 0.275 1.00 0.00 C ATOM 0 H LEU A 67 -1.312 6.933 2.879 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.148 6.895 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.470 5.391 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.642 6.685 1.804 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.001 6.590 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.202 4.607 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.854 5.617 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.264 4.110 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.317 4.506 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.464 4.008 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.512 5.446 0.874 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.494 8.757 -0.918 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.062 9.969 -1.498 1.00 0.00 C ATOM 1042 C GLN A 68 -4.575 10.004 -1.310 1.00 0.00 C ATOM 1043 O GLN A 68 -5.174 9.041 -0.831 1.00 0.00 O ATOM 1044 CB GLN A 68 -2.720 10.055 -2.987 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.263 9.749 -3.294 1.00 0.00 C ATOM 1046 CD GLN A 68 -0.866 10.152 -4.701 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -1.627 9.963 -5.651 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.329 10.711 -4.842 1.00 0.00 N ATOM 0 H GLN A 68 -2.167 8.075 -1.602 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.629 10.826 -0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.353 9.359 -3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.957 11.056 -3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.628 10.270 -2.578 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.084 8.682 -3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.927 10.849 -4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.650 11.003 -5.765 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.188 11.121 -1.691 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.632 11.283 -1.564 1.00 0.00 C ATOM 1059 C ASP A 69 -7.368 10.373 -2.544 1.00 0.00 C ATOM 1060 O ASP A 69 -8.117 9.484 -2.139 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.027 12.739 -1.808 1.00 0.00 C ATOM 1062 CG ASP A 69 -6.357 13.690 -0.835 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -5.264 13.355 -0.334 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -6.927 14.771 -0.574 1.00 0.00 O ATOM 0 H ASP A 69 -4.707 11.927 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.917 11.003 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.761 13.019 -2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.109 12.838 -1.722 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.149 10.604 -3.834 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.791 9.806 -4.874 1.00 0.00 C ATOM 1071 C CYS A 70 -7.414 8.333 -4.745 1.00 0.00 C ATOM 1072 O CYS A 70 -8.150 7.454 -5.194 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.398 10.326 -6.257 1.00 0.00 C ATOM 1074 SG CYS A 70 -8.734 10.264 -7.475 1.00 0.00 S ATOM 0 H CYS A 70 -6.532 11.337 -4.185 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.870 9.896 -4.751 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.055 11.356 -6.162 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.556 9.742 -6.627 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.306 10.726 -8.612 1.00 0.00 H new ATOM 1080 N MET A 71 -6.263 8.069 -4.132 1.00 0.00 N ATOM 1081 CA MET A 71 -5.789 6.701 -3.948 1.00 0.00 C ATOM 1082 C MET A 71 -6.834 5.850 -3.232 1.00 0.00 C ATOM 1083 O MET A 71 -6.981 4.661 -3.514 1.00 0.00 O ATOM 1084 CB MET A 71 -4.481 6.696 -3.154 1.00 0.00 C ATOM 1085 CG MET A 71 -3.239 6.771 -4.027 1.00 0.00 C ATOM 1086 SD MET A 71 -2.680 5.148 -4.580 1.00 0.00 S ATOM 1087 CE MET A 71 -3.397 5.084 -6.220 1.00 0.00 C ATOM 0 H MET A 71 -5.642 8.784 -3.754 1.00 0.00 H new ATOM 0 HA MET A 71 -5.612 6.271 -4.934 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.481 7.540 -2.464 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.436 5.790 -2.550 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.448 7.395 -4.896 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.437 7.257 -3.471 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.908 4.302 -6.801 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.462 4.867 -6.143 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.257 6.045 -6.716 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.558 6.468 -2.304 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.589 5.766 -1.547 1.00 0.00 C ATOM 1099 C TYR A 72 -9.669 5.217 -2.474 1.00 0.00 C ATOM 1100 O TYR A 72 -10.282 4.189 -2.188 1.00 0.00 O ATOM 1101 CB TYR A 72 -9.217 6.703 -0.513 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.400 6.844 0.752 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.424 5.858 1.730 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.604 7.962 0.965 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.679 5.983 2.887 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.855 8.094 2.120 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.897 7.103 3.077 1.00 0.00 C ATOM 1108 OH TYR A 72 -6.152 7.230 4.227 1.00 0.00 O ATOM 0 H TYR A 72 -7.450 7.452 -2.058 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.119 4.928 -1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -9.350 7.688 -0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.209 6.333 -0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.035 4.979 1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.569 8.740 0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.709 5.208 3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.240 8.969 2.271 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.484 7.937 4.108 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.897 5.908 -3.586 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.903 5.488 -4.554 1.00 0.00 C ATOM 1120 C LYS A 73 -10.559 4.124 -5.144 1.00 0.00 C ATOM 1121 O LYS A 73 -11.446 3.354 -5.511 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.028 6.524 -5.674 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.312 7.932 -5.172 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.662 8.441 -5.658 1.00 0.00 C ATOM 1125 CE LYS A 73 -13.700 8.419 -4.546 1.00 0.00 C ATOM 1126 NZ LYS A 73 -13.841 7.065 -3.944 1.00 0.00 N ATOM 0 H LYS A 73 -9.399 6.761 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.857 5.407 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.105 6.533 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.827 6.221 -6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.290 7.941 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.525 8.605 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.554 9.458 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.006 7.826 -6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.418 9.133 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.663 8.742 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.788 6.968 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.713 6.342 -4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.121 6.937 -3.205 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.264 3.833 -5.235 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.803 2.562 -5.782 1.00 0.00 C ATOM 1142 C ASP A 74 -8.954 1.440 -4.760 1.00 0.00 C ATOM 1143 O ASP A 74 -9.185 0.286 -5.121 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.342 2.674 -6.223 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.204 3.193 -7.641 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.735 2.543 -8.565 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.564 4.249 -7.827 1.00 0.00 O ATOM 0 H ASP A 74 -8.517 4.460 -4.937 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.420 2.323 -6.648 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.810 3.339 -5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.867 1.696 -6.149 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.819 1.786 -3.484 1.00 0.00 N ATOM 1153 CA VAL A 75 -8.940 0.805 -2.411 1.00 0.00 C ATOM 1154 C VAL A 75 -10.319 0.152 -2.417 1.00 0.00 C ATOM 1155 O VAL A 75 -11.338 0.832 -2.539 1.00 0.00 O ATOM 1156 CB VAL A 75 -8.690 1.446 -1.032 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -8.701 0.388 0.061 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.376 2.212 -1.029 1.00 0.00 C ATOM 0 H VAL A 75 -8.626 2.736 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.181 0.044 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.496 2.151 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.523 0.861 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.670 -0.111 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.918 -0.345 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.217 2.658 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.557 1.530 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.412 2.999 -1.783 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.341 -1.170 -2.284 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.594 -1.916 -2.274 1.00 0.00 C ATOM 1170 C GLN A 76 -12.100 -2.110 -0.848 1.00 0.00 C ATOM 1171 O GLN A 76 -11.445 -1.709 0.114 1.00 0.00 O ATOM 1172 CB GLN A 76 -11.408 -3.275 -2.951 1.00 0.00 C ATOM 1173 CG GLN A 76 -11.140 -3.180 -4.444 1.00 0.00 C ATOM 1174 CD GLN A 76 -10.681 -4.496 -5.039 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -11.421 -5.479 -5.049 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -9.451 -4.521 -5.542 1.00 0.00 N ATOM 0 H GLN A 76 -9.506 -1.747 -2.182 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.335 -1.340 -2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.579 -3.799 -2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.302 -3.878 -2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.047 -2.853 -4.952 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.381 -2.419 -4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.871 -3.682 -5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.087 -5.379 -5.957 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.269 -2.729 -0.720 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.864 -2.978 0.589 1.00 0.00 C ATOM 1187 C LYS A 77 -14.013 -4.475 0.842 1.00 0.00 C ATOM 1188 O LYS A 77 -14.926 -4.907 1.545 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.228 -2.294 0.690 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.156 -0.778 0.610 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.526 -0.143 0.793 1.00 0.00 C ATOM 1192 CE LYS A 77 -17.095 0.346 -0.529 1.00 0.00 C ATOM 1193 NZ LYS A 77 -18.312 1.182 -0.336 1.00 0.00 N ATOM 0 H LYS A 77 -13.823 -3.068 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.200 -2.563 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.870 -2.662 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.699 -2.578 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.476 -0.404 1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.743 -0.483 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.208 -0.868 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.451 0.692 1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.338 0.924 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.339 -0.510 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.668 1.495 -1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.044 0.623 0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.074 2.013 0.243 1.00 0.00 H new ATOM 1207 N ASP A 78 -13.108 -5.261 0.266 1.00 0.00 N ATOM 1208 CA ASP A 78 -13.138 -6.709 0.431 1.00 0.00 C ATOM 1209 C ASP A 78 -11.725 -7.284 0.458 1.00 0.00 C ATOM 1210 O ASP A 78 -11.498 -8.420 0.043 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.945 -7.354 -0.697 1.00 0.00 C ATOM 1212 CG ASP A 78 -15.377 -7.646 -0.292 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -16.028 -6.745 0.276 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -15.846 -8.775 -0.542 1.00 0.00 O ATOM 0 H ASP A 78 -12.346 -4.919 -0.319 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.618 -6.932 1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.943 -6.694 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.460 -8.282 -1.002 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.777 -6.490 0.946 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.387 -6.922 1.027 1.00 0.00 C ATOM 1221 C TRP A 79 -9.226 -8.058 2.038 1.00 0.00 C ATOM 1222 O TRP A 79 -9.622 -7.924 3.196 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.488 -5.746 1.419 1.00 0.00 C ATOM 1224 CG TRP A 79 -7.027 -6.045 1.285 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -6.093 -6.036 2.283 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.328 -6.393 0.085 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.858 -6.359 1.775 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.977 -6.583 0.428 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.715 -6.564 -1.248 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -4.011 -6.935 -0.512 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.757 -6.914 -2.180 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.419 -7.096 -1.808 1.00 0.00 C ATOM 0 H TRP A 79 -10.946 -5.545 1.291 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.089 -7.289 0.045 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.734 -4.886 0.796 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.701 -5.463 2.450 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.296 -5.808 3.319 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.993 -6.422 2.313 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.744 -6.425 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.978 -7.076 -0.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.045 -7.049 -3.212 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.694 -7.369 -2.560 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.642 -9.194 1.617 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.437 -10.348 2.500 1.00 0.00 C ATOM 1245 C PRO A 80 -7.690 -9.973 3.776 1.00 0.00 C ATOM 1246 O PRO A 80 -7.855 -10.614 4.815 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.594 -11.306 1.652 1.00 0.00 C ATOM 1248 CG PRO A 80 -7.897 -10.931 0.244 1.00 0.00 C ATOM 1249 CD PRO A 80 -8.137 -9.448 0.254 1.00 0.00 C ATOM 0 HA PRO A 80 -9.382 -10.775 2.835 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.532 -11.198 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.856 -12.345 1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.068 -11.188 -0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.773 -11.466 -0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.222 -8.891 0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.862 -9.153 -0.505 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.870 -8.931 3.692 1.00 0.00 N ATOM 1258 CA GLY A 81 -6.110 -8.488 4.847 1.00 0.00 C ATOM 1259 C GLY A 81 -6.999 -8.077 6.004 1.00 0.00 C ATOM 1260 O GLY A 81 -6.767 -8.473 7.146 1.00 0.00 O ATOM 0 H GLY A 81 -6.718 -8.385 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.446 -9.290 5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.479 -7.647 4.561 1.00 0.00 H new ATOM 1264 N TYR A 82 -8.019 -7.277 5.710 1.00 0.00 N ATOM 1265 CA TYR A 82 -8.944 -6.810 6.736 1.00 0.00 C ATOM 1266 C TYR A 82 -9.826 -7.951 7.234 1.00 0.00 C ATOM 1267 O TYR A 82 -9.913 -9.003 6.601 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.817 -5.678 6.190 1.00 0.00 C ATOM 1269 CG TYR A 82 -9.037 -4.607 5.459 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.804 -4.173 5.931 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.534 -4.030 4.297 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -7.089 -3.195 5.266 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.824 -3.052 3.626 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.602 -2.638 4.115 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.893 -1.664 3.449 1.00 0.00 O ATOM 0 H TYR A 82 -8.226 -6.939 4.770 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.357 -6.435 7.574 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.561 -6.099 5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.360 -5.219 7.016 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.398 -4.607 6.833 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.491 -4.351 3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.132 -2.869 5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.224 -2.614 2.723 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.992 -1.599 3.828 1.00 0.00 H new ATOM 1285 N SER A 83 -10.477 -7.735 8.373 1.00 0.00 N ATOM 1286 CA SER A 83 -11.352 -8.744 8.957 1.00 0.00 C ATOM 1287 C SER A 83 -12.514 -8.092 9.698 1.00 0.00 C ATOM 1288 O SER A 83 -13.677 -8.287 9.343 1.00 0.00 O ATOM 1289 CB SER A 83 -10.562 -9.643 9.911 1.00 0.00 C ATOM 1290 OG SER A 83 -11.431 -10.386 10.749 1.00 0.00 O ATOM 0 H SER A 83 -10.415 -6.870 8.909 1.00 0.00 H new ATOM 0 HA SER A 83 -11.757 -9.352 8.148 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.934 -10.325 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.896 -9.034 10.522 1.00 0.00 H new ATOM 0 HG SER A 83 -10.902 -10.953 11.348 1.00 0.00 H new ATOM 1296 N GLU A 84 -12.191 -7.320 10.730 1.00 0.00 N ATOM 1297 CA GLU A 84 -13.209 -6.638 11.522 1.00 0.00 C ATOM 1298 C GLU A 84 -12.703 -5.284 12.009 1.00 0.00 C ATOM 1299 O GLU A 84 -13.360 -4.260 11.818 1.00 0.00 O ATOM 1300 CB GLU A 84 -13.617 -7.502 12.717 1.00 0.00 C ATOM 1301 CG GLU A 84 -14.723 -6.888 13.561 1.00 0.00 C ATOM 1302 CD GLU A 84 -15.024 -7.698 14.806 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -14.104 -8.376 15.310 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -16.180 -7.655 15.278 1.00 0.00 O ATOM 0 H GLU A 84 -11.233 -7.151 11.038 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.079 -6.473 10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.945 -8.476 12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.744 -7.673 13.346 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.435 -5.877 13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.628 -6.802 12.960 1.00 0.00 H new ATOM 1311 N GLY A 85 -11.533 -5.286 12.637 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.959 -4.053 13.142 1.00 0.00 C ATOM 1313 C GLY A 85 -10.455 -3.152 12.032 1.00 0.00 C ATOM 1314 O GLY A 85 -10.669 -1.940 12.060 1.00 0.00 O ATOM 0 H GLY A 85 -10.971 -6.120 12.806 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.708 -3.520 13.727 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.136 -4.288 13.817 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.783 -3.745 11.050 1.00 0.00 N ATOM 1319 CA ASP A 86 -9.245 -2.989 9.925 1.00 0.00 C ATOM 1320 C ASP A 86 -10.365 -2.503 9.012 1.00 0.00 C ATOM 1321 O ASP A 86 -10.305 -1.399 8.472 1.00 0.00 O ATOM 1322 CB ASP A 86 -8.260 -3.849 9.131 1.00 0.00 C ATOM 1323 CG ASP A 86 -7.046 -4.242 9.950 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.593 -3.419 10.773 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -6.548 -5.373 9.767 1.00 0.00 O ATOM 0 H ASP A 86 -9.598 -4.747 11.011 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.720 -2.119 10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.767 -4.749 8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.936 -3.302 8.245 1.00 0.00 H new ATOM 1330 N GLN A 87 -11.386 -3.337 8.842 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.521 -2.993 7.993 1.00 0.00 C ATOM 1332 C GLN A 87 -13.251 -1.767 8.531 1.00 0.00 C ATOM 1333 O GLN A 87 -13.492 -0.805 7.802 1.00 0.00 O ATOM 1334 CB GLN A 87 -13.489 -4.174 7.895 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.922 -5.362 7.135 1.00 0.00 C ATOM 1336 CD GLN A 87 -14.001 -6.198 6.474 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.839 -5.680 5.736 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -13.985 -7.500 6.737 1.00 0.00 N ATOM 0 H GLN A 87 -11.451 -4.256 9.281 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.141 -2.760 6.998 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.763 -4.493 8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.405 -3.843 7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.227 -5.005 6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.351 -5.988 7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.272 -7.887 7.355 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.686 -8.113 6.321 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.602 -1.808 9.812 1.00 0.00 N ATOM 1348 CA GLN A 88 -14.305 -0.700 10.448 1.00 0.00 C ATOM 1349 C GLN A 88 -13.428 0.546 10.496 1.00 0.00 C ATOM 1350 O GLN A 88 -13.924 1.671 10.413 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.739 -1.087 11.863 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.920 -2.044 11.897 1.00 0.00 C ATOM 1353 CD GLN A 88 -17.254 -1.323 11.909 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -17.936 -1.237 10.887 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -17.633 -0.798 13.068 1.00 0.00 N ATOM 0 H GLN A 88 -13.411 -2.597 10.430 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.190 -0.476 9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.896 -1.545 12.380 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.998 -0.183 12.414 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.875 -2.702 11.029 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.845 -2.677 12.781 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.037 -0.893 13.890 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -18.520 -0.300 13.136 1.00 0.00 H new ATOM 1364 N LEU A 89 -12.122 0.339 10.630 1.00 0.00 N ATOM 1365 CA LEU A 89 -11.175 1.447 10.690 1.00 0.00 C ATOM 1366 C LEU A 89 -11.073 2.148 9.339 1.00 0.00 C ATOM 1367 O LEU A 89 -11.068 3.377 9.265 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.796 0.944 11.120 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.821 2.032 11.573 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -8.943 2.267 13.071 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.394 1.657 11.204 1.00 0.00 C ATOM 0 H LEU A 89 -11.695 -0.585 10.699 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.539 2.164 11.426 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.924 0.231 11.934 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.349 0.401 10.288 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.075 2.959 11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.242 3.044 13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.959 2.582 13.308 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.715 1.344 13.604 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.714 2.443 11.534 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.127 0.719 11.690 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.316 1.541 10.123 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.993 1.359 8.274 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.891 1.903 6.924 1.00 0.00 C ATOM 1385 C LEU A 90 -12.159 2.662 6.543 1.00 0.00 C ATOM 1386 O LEU A 90 -12.118 3.591 5.735 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.636 0.779 5.918 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.555 1.224 4.456 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -9.167 1.756 4.137 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.912 0.072 3.529 1.00 0.00 C ATOM 0 H LEU A 90 -10.997 0.340 8.319 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.053 2.600 6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.704 0.280 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.431 0.040 6.013 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.275 2.027 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.128 2.068 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.948 2.609 4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.429 0.973 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.849 0.406 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.216 -0.752 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.927 -0.265 3.741 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.283 2.261 7.128 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.562 2.904 6.848 1.00 0.00 C ATOM 1404 C LYS A 91 -14.507 4.395 7.165 1.00 0.00 C ATOM 1405 O LYS A 91 -14.808 5.232 6.315 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.677 2.239 7.658 1.00 0.00 C ATOM 1407 CG LYS A 91 -16.070 0.865 7.137 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.568 0.633 7.252 1.00 0.00 C ATOM 1409 CE LYS A 91 -18.338 1.451 6.228 1.00 0.00 C ATOM 1410 NZ LYS A 91 -18.136 0.942 4.844 1.00 0.00 N ATOM 0 H LYS A 91 -13.334 1.494 7.799 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.773 2.787 5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.356 2.147 8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.555 2.886 7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.765 0.769 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.538 0.096 7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.785 -0.426 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.902 0.896 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.400 1.429 6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.020 2.492 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -18.847 1.362 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.184 1.201 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.235 -0.093 4.837 1.00 0.00 H new ATOM 1424 N ARG A 92 -14.123 4.721 8.395 1.00 0.00 N ATOM 1425 CA ARG A 92 -14.032 6.111 8.824 1.00 0.00 C ATOM 1426 C ARG A 92 -12.928 6.845 8.068 1.00 0.00 C ATOM 1427 O ARG A 92 -13.076 8.015 7.717 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.775 6.188 10.330 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.492 5.498 10.766 1.00 0.00 C ATOM 1430 CD ARG A 92 -12.152 5.816 12.214 1.00 0.00 C ATOM 1431 NE ARG A 92 -11.818 4.615 12.974 1.00 0.00 N ATOM 1432 CZ ARG A 92 -11.866 4.540 14.303 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -12.229 5.595 15.022 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -11.549 3.406 14.913 1.00 0.00 N ATOM 0 H ARG A 92 -13.870 4.041 9.112 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.983 6.595 8.601 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.734 7.235 10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.616 5.738 10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.598 4.420 10.644 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.671 5.812 10.121 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.312 6.510 12.245 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.998 6.318 12.683 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.531 3.784 12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.473 6.469 14.557 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.264 5.531 16.039 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.269 2.593 14.365 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.585 3.347 15.931 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.824 6.149 7.821 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.696 6.734 7.106 1.00 0.00 C ATOM 1450 C VAL A 93 -11.110 7.202 5.714 1.00 0.00 C ATOM 1451 O VAL A 93 -10.542 8.150 5.172 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.531 5.733 6.974 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.315 6.402 6.351 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.184 5.135 8.331 1.00 0.00 C ATOM 0 H VAL A 93 -11.686 5.179 8.105 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.363 7.591 7.691 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.846 4.924 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.505 5.678 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.573 6.775 5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.995 7.233 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.360 4.431 8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.890 5.931 9.015 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.054 4.614 8.732 1.00 0.00 H new ATOM 1464 N LEU A 94 -12.101 6.528 5.139 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.589 6.873 3.810 1.00 0.00 C ATOM 1466 C LEU A 94 -13.550 8.057 3.870 1.00 0.00 C ATOM 1467 O LEU A 94 -13.442 8.998 3.084 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.283 5.669 3.171 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.363 4.489 2.849 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -13.166 3.202 2.733 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.589 4.754 1.566 1.00 0.00 C ATOM 0 H LEU A 94 -12.581 5.740 5.573 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.732 7.157 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -14.070 5.324 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.768 5.994 2.251 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.649 4.375 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.495 2.374 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.676 3.005 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.903 3.303 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.939 3.905 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.288 4.894 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.984 5.653 1.685 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.491 8.002 4.807 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.471 9.070 4.969 1.00 0.00 C ATOM 1485 C VAL A 95 -14.799 10.379 5.372 1.00 0.00 C ATOM 1486 O VAL A 95 -15.267 11.461 5.020 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.531 8.705 6.026 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.649 9.735 6.038 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -17.081 7.310 5.770 1.00 0.00 C ATOM 0 H VAL A 95 -14.596 7.230 5.465 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.960 9.198 4.003 1.00 0.00 H new ATOM 0 HB VAL A 95 -16.057 8.708 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.388 9.461 6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -17.237 10.716 6.274 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.124 9.768 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.828 7.069 6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.540 7.276 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.269 6.584 5.818 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.701 10.271 6.112 1.00 0.00 N ATOM 1500 CA ARG A 96 -12.966 11.447 6.564 1.00 0.00 C ATOM 1501 C ARG A 96 -12.127 12.033 5.432 1.00 0.00 C ATOM 1502 O ARG A 96 -11.915 13.245 5.367 1.00 0.00 O ATOM 1503 CB ARG A 96 -12.068 11.088 7.751 1.00 0.00 C ATOM 1504 CG ARG A 96 -12.220 12.029 8.935 1.00 0.00 C ATOM 1505 CD ARG A 96 -13.257 11.520 9.922 1.00 0.00 C ATOM 1506 NE ARG A 96 -13.074 12.093 11.253 1.00 0.00 N ATOM 1507 CZ ARG A 96 -12.124 11.707 12.103 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -11.270 10.749 11.763 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -12.027 12.281 13.294 1.00 0.00 N ATOM 0 H ARG A 96 -13.300 9.382 6.411 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.690 12.198 6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.295 10.072 8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.028 11.094 7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.260 12.139 9.439 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.509 13.018 8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -14.255 11.763 9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.196 10.433 9.984 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.711 12.832 11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.340 10.305 10.847 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.544 10.457 12.417 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.680 13.018 13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.299 11.985 13.945 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.651 11.167 4.545 1.00 0.00 N ATOM 1524 CA LYS A 97 -10.834 11.600 3.416 1.00 0.00 C ATOM 1525 C LYS A 97 -11.709 12.055 2.253 1.00 0.00 C ATOM 1526 O LYS A 97 -11.570 13.174 1.759 1.00 0.00 O ATOM 1527 CB LYS A 97 -9.912 10.467 2.963 1.00 0.00 C ATOM 1528 CG LYS A 97 -8.805 10.150 3.957 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.666 11.151 3.859 1.00 0.00 C ATOM 1530 CE LYS A 97 -6.550 10.824 4.837 1.00 0.00 C ATOM 1531 NZ LYS A 97 -5.794 12.040 5.245 1.00 0.00 N ATOM 0 H LYS A 97 -11.816 10.161 4.585 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.227 12.445 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.508 9.569 2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.464 10.735 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.210 10.156 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.425 9.145 3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.271 11.156 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.044 12.154 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.971 10.345 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.866 10.108 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.042 11.774 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.371 12.484 4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.441 12.713 5.703 1.00 0.00 H new