USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 764 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 81 HIS :FLIP no HE2:sc= -11.2! C(o=-34!,f=-33!) USER MOD Set 1.2: A 87 SER OG : rot 78:sc= -5.11! USER MOD Set 1.3: A 88 HIS : no HE2:sc= -16.5! C(o=-33!,f=-36!) USER MOD Set 2.1: A 23 ASN : amide:sc= -11.7! C(o=-16!,f=-24!) USER MOD Set 2.2: A 96 CYS SG : rot 0:sc= -4.01! USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.179 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : A 25 THR OG1 : rot 15:sc= 0.373 USER MOD Single : A 33 SER OG : rot -60:sc= -3.1! USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0265) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0815 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 163:sc= -3.97! USER MOD Single : A 47 THR OG1 : rot -48:sc= 1.13 USER MOD Single : A 48 GLN : amide:sc= -0.0304 X(o=-0.03,f=-0.38) USER MOD Single : A 52 HIS : no HE2:sc= -9.81! C(o=-9.8!,f=-14!) USER MOD Single : A 53 TYR OH : rot -169:sc= -2.59! USER MOD Single : A 54 LYS NZ :NH3+ -111:sc= -0.748 (180deg=-2.25!) USER MOD Single : A 64 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-5!) USER MOD Single : A 66 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.41) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc=0.000916 USER MOD Single : A 79 ASN : amide:sc= -0.385 K(o=-0.38,f=-3!) USER MOD Single : A 80 TYR OH : rot 120:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.017) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0409 USER MOD ----------------------------------------------------------------- ATOM 29 N PRO A 3 6.153 1.666 4.689 1.00 0.00 N ATOM 30 CA PRO A 3 4.717 1.540 4.434 1.00 0.00 C ATOM 31 C PRO A 3 3.883 1.543 5.711 1.00 0.00 C ATOM 32 O PRO A 3 2.846 2.197 5.785 1.00 0.00 O ATOM 33 CB PRO A 3 4.624 0.161 3.777 1.00 0.00 C ATOM 34 CG PRO A 3 5.727 -0.634 4.397 1.00 0.00 C ATOM 35 CD PRO A 3 6.800 0.345 4.814 1.00 0.00 C ATOM 0 HA PRO A 3 4.336 2.370 3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.653 -0.300 3.960 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.745 0.229 2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.361 -1.194 5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.123 -1.361 3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.133 0.160 5.835 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.679 0.270 4.173 1.00 0.00 H new ATOM 43 N TRP A 4 4.327 0.778 6.706 1.00 0.00 N ATOM 44 CA TRP A 4 3.606 0.660 7.967 1.00 0.00 C ATOM 45 C TRP A 4 2.422 -0.285 7.795 1.00 0.00 C ATOM 46 O TRP A 4 1.328 0.132 7.408 1.00 0.00 O ATOM 47 CB TRP A 4 3.126 2.032 8.459 1.00 0.00 C ATOM 48 CG TRP A 4 3.339 2.245 9.927 1.00 0.00 C ATOM 49 CD1 TRP A 4 2.445 2.769 10.816 1.00 0.00 C ATOM 50 CD2 TRP A 4 4.521 1.941 10.677 1.00 0.00 C ATOM 51 NE1 TRP A 4 2.999 2.809 12.073 1.00 0.00 N ATOM 52 CE2 TRP A 4 4.273 2.306 12.014 1.00 0.00 C ATOM 53 CE3 TRP A 4 5.765 1.394 10.348 1.00 0.00 C ATOM 54 CZ2 TRP A 4 5.222 2.143 13.019 1.00 0.00 C ATOM 55 CZ3 TRP A 4 6.706 1.232 11.347 1.00 0.00 C ATOM 56 CH2 TRP A 4 6.431 1.605 12.668 1.00 0.00 C ATOM 0 H TRP A 4 5.186 0.230 6.661 1.00 0.00 H new ATOM 0 HA TRP A 4 4.285 0.255 8.717 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.650 2.812 7.906 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.065 2.140 8.234 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.448 3.103 10.568 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.537 3.157 12.913 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.986 1.103 9.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.012 2.430 14.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.670 0.810 11.104 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.188 1.466 13.426 1.00 0.00 H new ATOM 67 N PHE A 5 2.652 -1.564 8.068 1.00 0.00 N ATOM 68 CA PHE A 5 1.608 -2.573 7.933 1.00 0.00 C ATOM 69 C PHE A 5 0.530 -2.366 8.989 1.00 0.00 C ATOM 70 O PHE A 5 0.826 -2.275 10.180 1.00 0.00 O ATOM 71 CB PHE A 5 2.198 -3.982 8.062 1.00 0.00 C ATOM 72 CG PHE A 5 3.564 -4.127 7.450 1.00 0.00 C ATOM 73 CD1 PHE A 5 3.711 -4.315 6.085 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.700 -4.077 8.242 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.966 -4.449 5.522 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.957 -4.211 7.685 1.00 0.00 C ATOM 77 CZ PHE A 5 6.090 -4.397 6.323 1.00 0.00 C ATOM 0 H PHE A 5 3.551 -1.927 8.384 1.00 0.00 H new ATOM 0 HA PHE A 5 1.161 -2.469 6.944 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.253 -4.247 9.118 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.521 -4.694 7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.835 -4.357 5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.601 -3.932 9.308 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.068 -4.594 4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.834 -4.170 8.314 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.072 -4.502 5.885 1.00 0.00 H new ATOM 87 N PHE A 6 -0.719 -2.286 8.547 1.00 0.00 N ATOM 88 CA PHE A 6 -1.833 -2.086 9.463 1.00 0.00 C ATOM 89 C PHE A 6 -2.536 -3.405 9.759 1.00 0.00 C ATOM 90 O PHE A 6 -2.547 -4.314 8.931 1.00 0.00 O ATOM 91 CB PHE A 6 -2.820 -1.078 8.880 1.00 0.00 C ATOM 92 CG PHE A 6 -2.488 0.346 9.220 1.00 0.00 C ATOM 93 CD1 PHE A 6 -2.320 0.735 10.539 1.00 0.00 C ATOM 94 CD2 PHE A 6 -2.342 1.295 8.221 1.00 0.00 C ATOM 95 CE1 PHE A 6 -2.011 2.044 10.856 1.00 0.00 C ATOM 96 CE2 PHE A 6 -2.033 2.606 8.532 1.00 0.00 C ATOM 97 CZ PHE A 6 -1.868 2.982 9.851 1.00 0.00 C ATOM 0 H PHE A 6 -0.984 -2.356 7.565 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.439 -1.693 10.400 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.844 -1.189 7.796 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.821 -1.307 9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.432 0.007 11.329 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.471 1.007 7.188 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -1.881 2.334 11.888 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.921 3.336 7.744 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.628 4.006 10.096 1.00 0.00 H new ATOM 107 N GLY A 7 -3.115 -3.505 10.951 1.00 0.00 N ATOM 108 CA GLY A 7 -3.804 -4.721 11.338 1.00 0.00 C ATOM 109 C GLY A 7 -5.309 -4.625 11.180 1.00 0.00 C ATOM 110 O GLY A 7 -5.990 -5.644 11.068 1.00 0.00 O ATOM 0 H GLY A 7 -3.119 -2.767 11.655 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.433 -5.550 10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.567 -4.951 12.377 1.00 0.00 H new ATOM 114 N CYS A 8 -5.836 -3.403 11.176 1.00 0.00 N ATOM 115 CA CYS A 8 -7.273 -3.203 11.036 1.00 0.00 C ATOM 116 C CYS A 8 -7.601 -1.780 10.589 1.00 0.00 C ATOM 117 O CYS A 8 -8.005 -0.944 11.398 1.00 0.00 O ATOM 118 CB CYS A 8 -7.981 -3.509 12.355 1.00 0.00 C ATOM 119 SG CYS A 8 -9.653 -4.169 12.161 1.00 0.00 S ATOM 0 H CYS A 8 -5.294 -2.544 11.267 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.628 -3.889 10.267 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.383 -4.225 12.918 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -8.029 -2.596 12.949 1.00 0.00 H new ATOM 0 HG CYS A 8 -10.168 -4.398 13.333 1.00 0.00 H new ATOM 125 N ILE A 9 -7.444 -1.517 9.296 1.00 0.00 N ATOM 126 CA ILE A 9 -7.743 -0.202 8.743 1.00 0.00 C ATOM 127 C ILE A 9 -8.732 -0.317 7.590 1.00 0.00 C ATOM 128 O ILE A 9 -8.340 -0.435 6.430 1.00 0.00 O ATOM 129 CB ILE A 9 -6.475 0.520 8.243 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.751 -0.325 7.192 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.550 0.844 9.405 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.636 0.359 5.848 1.00 0.00 C ATOM 0 H ILE A 9 -7.112 -2.197 8.612 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.179 0.385 9.551 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.776 1.458 7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.752 -0.566 7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.281 -1.269 7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.661 1.353 9.032 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.068 1.491 10.113 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.256 -0.079 9.905 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.113 -0.295 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.633 0.576 5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.080 1.290 5.960 1.00 0.00 H new ATOM 144 N SER A 10 -10.021 -0.284 7.915 1.00 0.00 N ATOM 145 CA SER A 10 -11.065 -0.385 6.901 1.00 0.00 C ATOM 146 C SER A 10 -10.796 0.577 5.750 1.00 0.00 C ATOM 147 O SER A 10 -10.070 1.559 5.908 1.00 0.00 O ATOM 148 CB SER A 10 -12.435 -0.092 7.518 1.00 0.00 C ATOM 149 OG SER A 10 -12.481 1.214 8.063 1.00 0.00 O ATOM 0 H SER A 10 -10.367 -0.188 8.870 1.00 0.00 H new ATOM 0 HA SER A 10 -11.062 -1.402 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.210 -0.200 6.759 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.649 -0.822 8.298 1.00 0.00 H new ATOM 0 HG SER A 10 -13.367 1.376 8.449 1.00 0.00 H new ATOM 155 N ARG A 11 -11.382 0.291 4.591 1.00 0.00 N ATOM 156 CA ARG A 11 -11.196 1.138 3.418 1.00 0.00 C ATOM 157 C ARG A 11 -11.527 2.589 3.737 1.00 0.00 C ATOM 158 O ARG A 11 -11.013 3.510 3.107 1.00 0.00 O ATOM 159 CB ARG A 11 -12.063 0.644 2.258 1.00 0.00 C ATOM 160 CG ARG A 11 -11.386 0.752 0.901 1.00 0.00 C ATOM 161 CD ARG A 11 -11.781 -0.396 -0.014 1.00 0.00 C ATOM 162 NE ARG A 11 -13.142 -0.249 -0.526 1.00 0.00 N ATOM 163 CZ ARG A 11 -14.207 -0.868 -0.017 1.00 0.00 C ATOM 164 NH1 ARG A 11 -14.081 -1.683 1.026 1.00 0.00 N ATOM 165 NH2 ARG A 11 -15.404 -0.673 -0.552 1.00 0.00 N ATOM 0 H ARG A 11 -11.987 -0.516 4.439 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.148 1.081 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.335 -0.396 2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.990 1.217 2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.655 1.699 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.304 0.757 1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.084 -0.449 -0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.699 -1.337 0.530 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.286 0.368 -1.325 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.164 -1.839 1.443 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.902 -2.152 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.509 -0.050 -1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.220 -1.146 -0.163 1.00 0.00 H new ATOM 179 N SER A 12 -12.382 2.776 4.724 1.00 0.00 N ATOM 180 CA SER A 12 -12.791 4.111 5.144 1.00 0.00 C ATOM 181 C SER A 12 -11.639 4.847 5.821 1.00 0.00 C ATOM 182 O SER A 12 -11.545 6.072 5.746 1.00 0.00 O ATOM 183 CB SER A 12 -13.986 4.023 6.096 1.00 0.00 C ATOM 184 OG SER A 12 -14.911 5.067 5.849 1.00 0.00 O ATOM 0 H SER A 12 -12.811 2.018 5.255 1.00 0.00 H new ATOM 0 HA SER A 12 -13.082 4.671 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.480 3.059 5.976 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.638 4.077 7.128 1.00 0.00 H new ATOM 0 HG SER A 12 -15.666 4.988 6.468 1.00 0.00 H new ATOM 190 N GLU A 13 -10.765 4.095 6.484 1.00 0.00 N ATOM 191 CA GLU A 13 -9.624 4.688 7.174 1.00 0.00 C ATOM 192 C GLU A 13 -8.508 5.032 6.202 1.00 0.00 C ATOM 193 O GLU A 13 -8.122 6.184 6.089 1.00 0.00 O ATOM 194 CB GLU A 13 -9.078 3.750 8.248 1.00 0.00 C ATOM 195 CG GLU A 13 -10.151 2.947 8.968 1.00 0.00 C ATOM 196 CD GLU A 13 -9.890 2.831 10.458 1.00 0.00 C ATOM 197 OE1 GLU A 13 -9.428 3.823 11.058 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.147 1.747 11.023 1.00 0.00 O ATOM 0 H GLU A 13 -10.824 3.079 6.558 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.982 5.603 7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.369 3.061 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.523 4.336 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.121 3.418 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.206 1.949 8.533 1.00 0.00 H new ATOM 205 N ALA A 14 -7.987 4.026 5.506 1.00 0.00 N ATOM 206 CA ALA A 14 -6.904 4.239 4.555 1.00 0.00 C ATOM 207 C ALA A 14 -7.204 5.418 3.642 1.00 0.00 C ATOM 208 O ALA A 14 -6.297 6.108 3.179 1.00 0.00 O ATOM 209 CB ALA A 14 -6.658 2.978 3.743 1.00 0.00 C ATOM 0 H ALA A 14 -8.297 3.057 5.583 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.999 4.472 5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.846 3.153 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.388 2.161 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.564 2.715 3.197 1.00 0.00 H new ATOM 215 N VAL A 15 -8.483 5.654 3.397 1.00 0.00 N ATOM 216 CA VAL A 15 -8.893 6.767 2.548 1.00 0.00 C ATOM 217 C VAL A 15 -8.645 8.099 3.255 1.00 0.00 C ATOM 218 O VAL A 15 -8.003 8.995 2.705 1.00 0.00 O ATOM 219 CB VAL A 15 -10.381 6.665 2.150 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.840 7.923 1.423 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.623 5.435 1.290 1.00 0.00 C ATOM 0 H VAL A 15 -9.252 5.096 3.769 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.292 6.718 1.640 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.967 6.569 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.892 7.825 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.711 8.787 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.246 8.058 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.678 5.381 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.020 5.500 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.345 4.541 1.848 1.00 0.00 H new ATOM 231 N ARG A 16 -9.157 8.221 4.477 1.00 0.00 N ATOM 232 CA ARG A 16 -8.993 9.442 5.262 1.00 0.00 C ATOM 233 C ARG A 16 -7.624 9.488 5.937 1.00 0.00 C ATOM 234 O ARG A 16 -7.161 10.547 6.362 1.00 0.00 O ATOM 235 CB ARG A 16 -10.096 9.541 6.318 1.00 0.00 C ATOM 236 CG ARG A 16 -10.598 10.957 6.545 1.00 0.00 C ATOM 237 CD ARG A 16 -10.783 11.259 8.024 1.00 0.00 C ATOM 238 NE ARG A 16 -9.943 12.370 8.466 1.00 0.00 N ATOM 239 CZ ARG A 16 -9.653 12.619 9.741 1.00 0.00 C ATOM 240 NH1 ARG A 16 -10.133 11.840 10.702 1.00 0.00 N ATOM 241 NH2 ARG A 16 -8.881 13.650 10.056 1.00 0.00 N ATOM 0 H ARG A 16 -9.690 7.488 4.946 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.066 10.290 4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.933 8.912 6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.721 9.142 7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.892 11.667 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.546 11.095 6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.829 11.496 8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.545 10.370 8.608 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.556 12.991 7.756 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.727 11.046 10.465 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.907 12.036 11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.509 14.252 9.321 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.659 13.841 11.033 1.00 0.00 H new ATOM 255 N ARG A 17 -6.987 8.332 6.026 1.00 0.00 N ATOM 256 CA ARG A 17 -5.674 8.213 6.640 1.00 0.00 C ATOM 257 C ARG A 17 -4.598 8.686 5.672 1.00 0.00 C ATOM 258 O ARG A 17 -3.767 9.528 6.013 1.00 0.00 O ATOM 259 CB ARG A 17 -5.418 6.760 7.068 1.00 0.00 C ATOM 260 CG ARG A 17 -4.411 6.630 8.199 1.00 0.00 C ATOM 261 CD ARG A 17 -4.239 5.181 8.631 1.00 0.00 C ATOM 262 NE ARG A 17 -4.564 4.991 10.044 1.00 0.00 N ATOM 263 CZ ARG A 17 -5.595 4.270 10.486 1.00 0.00 C ATOM 264 NH1 ARG A 17 -6.419 3.671 9.633 1.00 0.00 N ATOM 265 NH2 ARG A 17 -5.806 4.152 11.789 1.00 0.00 N ATOM 0 H ARG A 17 -7.364 7.451 5.676 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.640 8.844 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.361 6.309 7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.062 6.194 6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.450 7.032 7.879 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.739 7.228 9.050 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.879 4.542 8.022 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.211 4.868 8.450 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.963 5.439 10.736 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.266 3.760 8.628 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.204 3.122 9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.181 4.612 12.451 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.594 3.601 12.130 1.00 0.00 H new ATOM 279 N LEU A 18 -4.631 8.152 4.456 1.00 0.00 N ATOM 280 CA LEU A 18 -3.671 8.532 3.429 1.00 0.00 C ATOM 281 C LEU A 18 -3.811 10.006 3.092 1.00 0.00 C ATOM 282 O LEU A 18 -2.827 10.718 2.893 1.00 0.00 O ATOM 283 CB LEU A 18 -3.886 7.700 2.171 1.00 0.00 C ATOM 284 CG LEU A 18 -3.155 6.365 2.140 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.660 6.574 2.306 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.682 5.442 3.222 1.00 0.00 C ATOM 0 H LEU A 18 -5.313 7.454 4.158 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.668 8.348 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.954 7.513 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.571 8.288 1.309 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.335 5.899 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.153 5.609 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.288 7.200 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.465 7.062 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.147 4.493 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.533 5.903 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.746 5.265 3.063 1.00 0.00 H new ATOM 298 N GLN A 19 -5.055 10.440 3.024 1.00 0.00 N ATOM 299 CA GLN A 19 -5.386 11.825 2.700 1.00 0.00 C ATOM 300 C GLN A 19 -5.057 12.772 3.852 1.00 0.00 C ATOM 301 O GLN A 19 -4.911 13.977 3.646 1.00 0.00 O ATOM 302 CB GLN A 19 -6.867 11.942 2.339 1.00 0.00 C ATOM 303 CG GLN A 19 -7.137 11.850 0.847 1.00 0.00 C ATOM 304 CD GLN A 19 -8.614 11.925 0.516 1.00 0.00 C ATOM 305 OE1 GLN A 19 -9.062 12.843 -0.170 1.00 0.00 O ATOM 306 NE2 GLN A 19 -9.380 10.955 1.004 1.00 0.00 N ATOM 0 H GLN A 19 -5.868 9.847 3.191 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.777 12.116 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.420 11.154 2.849 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.249 12.892 2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.613 12.658 0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.730 10.914 0.465 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.966 10.213 1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.382 10.952 0.814 1.00 0.00 H new ATOM 315 N ALA A 20 -4.941 12.229 5.063 1.00 0.00 N ATOM 316 CA ALA A 20 -4.627 13.040 6.238 1.00 0.00 C ATOM 317 C ALA A 20 -3.462 13.987 5.956 1.00 0.00 C ATOM 318 O ALA A 20 -2.817 13.890 4.912 1.00 0.00 O ATOM 319 CB ALA A 20 -4.302 12.144 7.423 1.00 0.00 C ATOM 0 H ALA A 20 -5.059 11.234 5.256 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.503 13.643 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.070 12.760 8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.160 11.510 7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.442 11.519 7.181 1.00 0.00 H new ATOM 325 N GLU A 21 -3.189 14.901 6.884 1.00 0.00 N ATOM 326 CA GLU A 21 -2.091 15.848 6.698 1.00 0.00 C ATOM 327 C GLU A 21 -0.778 15.296 7.221 1.00 0.00 C ATOM 328 O GLU A 21 0.213 16.012 7.359 1.00 0.00 O ATOM 329 CB GLU A 21 -2.410 17.193 7.353 1.00 0.00 C ATOM 330 CG GLU A 21 -2.957 17.065 8.765 1.00 0.00 C ATOM 331 CD GLU A 21 -2.503 18.192 9.672 1.00 0.00 C ATOM 332 OE1 GLU A 21 -1.285 18.289 9.934 1.00 0.00 O ATOM 333 OE2 GLU A 21 -3.365 18.978 10.118 1.00 0.00 O ATOM 0 H GLU A 21 -3.703 15.006 7.759 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.979 16.006 5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.505 17.801 7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.136 17.725 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.046 17.050 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.639 16.112 9.189 1.00 0.00 H new ATOM 340 N GLY A 22 -0.784 14.006 7.465 1.00 0.00 N ATOM 341 CA GLY A 22 0.402 13.314 7.926 1.00 0.00 C ATOM 342 C GLY A 22 1.140 12.654 6.777 1.00 0.00 C ATOM 343 O GLY A 22 2.246 12.141 6.946 1.00 0.00 O ATOM 0 H GLY A 22 -1.603 13.409 7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.064 14.019 8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.122 12.560 8.662 1.00 0.00 H new ATOM 347 N ASN A 23 0.503 12.650 5.607 1.00 0.00 N ATOM 348 CA ASN A 23 1.068 12.034 4.416 1.00 0.00 C ATOM 349 C ASN A 23 1.439 13.073 3.370 1.00 0.00 C ATOM 350 O ASN A 23 0.601 13.867 2.942 1.00 0.00 O ATOM 351 CB ASN A 23 0.063 11.047 3.829 1.00 0.00 C ATOM 352 CG ASN A 23 -0.153 9.848 4.730 1.00 0.00 C ATOM 353 OD1 ASN A 23 0.138 9.896 5.925 1.00 0.00 O ATOM 354 ND2 ASN A 23 -0.662 8.766 4.161 1.00 0.00 N ATOM 0 H ASN A 23 -0.414 13.072 5.462 1.00 0.00 H new ATOM 0 HA ASN A 23 1.980 11.511 4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.888 11.553 3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.415 10.709 2.854 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.828 7.927 4.717 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.888 8.771 3.166 1.00 0.00 H new ATOM 361 N ALA A 24 2.698 13.054 2.955 1.00 0.00 N ATOM 362 CA ALA A 24 3.177 13.984 1.947 1.00 0.00 C ATOM 363 C ALA A 24 3.347 13.281 0.610 1.00 0.00 C ATOM 364 O ALA A 24 4.452 13.186 0.079 1.00 0.00 O ATOM 365 CB ALA A 24 4.483 14.624 2.388 1.00 0.00 C ATOM 0 H ALA A 24 3.404 12.405 3.302 1.00 0.00 H new ATOM 0 HA ALA A 24 2.435 14.773 1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.826 15.317 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.326 15.165 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.235 13.849 2.539 1.00 0.00 H new ATOM 371 N THR A 25 2.233 12.785 0.085 1.00 0.00 N ATOM 372 CA THR A 25 2.210 12.072 -1.187 1.00 0.00 C ATOM 373 C THR A 25 3.152 10.874 -1.164 1.00 0.00 C ATOM 374 O THR A 25 4.256 10.941 -0.625 1.00 0.00 O ATOM 375 CB THR A 25 2.550 13.010 -2.347 1.00 0.00 C ATOM 376 OG1 THR A 25 3.853 13.548 -2.204 1.00 0.00 O ATOM 377 CG2 THR A 25 1.579 14.164 -2.468 1.00 0.00 C ATOM 0 H THR A 25 1.319 12.866 0.530 1.00 0.00 H new ATOM 0 HA THR A 25 1.198 11.698 -1.340 1.00 0.00 H new ATOM 0 HB THR A 25 2.486 12.398 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.348 13.032 -1.534 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.869 14.797 -3.307 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.574 13.778 -2.635 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.594 14.750 -1.549 1.00 0.00 H new ATOM 385 N GLY A 26 2.688 9.764 -1.725 1.00 0.00 N ATOM 386 CA GLY A 26 3.478 8.548 -1.731 1.00 0.00 C ATOM 387 C GLY A 26 3.261 7.747 -0.474 1.00 0.00 C ATOM 388 O GLY A 26 3.475 6.542 -0.469 1.00 0.00 O ATOM 0 H GLY A 26 1.777 9.685 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.214 7.944 -2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.534 8.799 -1.827 1.00 0.00 H new ATOM 392 N ALA A 27 2.809 8.414 0.590 1.00 0.00 N ATOM 393 CA ALA A 27 2.534 7.741 1.849 1.00 0.00 C ATOM 394 C ALA A 27 1.739 6.476 1.571 1.00 0.00 C ATOM 395 O ALA A 27 0.680 6.539 0.956 1.00 0.00 O ATOM 396 CB ALA A 27 1.760 8.665 2.773 1.00 0.00 C ATOM 0 H ALA A 27 2.628 9.418 0.599 1.00 0.00 H new ATOM 0 HA ALA A 27 3.471 7.476 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.558 8.153 3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.348 9.562 2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.817 8.944 2.302 1.00 0.00 H new ATOM 402 N PHE A 28 2.258 5.329 1.984 1.00 0.00 N ATOM 403 CA PHE A 28 1.582 4.076 1.722 1.00 0.00 C ATOM 404 C PHE A 28 1.419 3.282 3.001 1.00 0.00 C ATOM 405 O PHE A 28 2.030 3.587 4.024 1.00 0.00 O ATOM 406 CB PHE A 28 2.375 3.294 0.682 1.00 0.00 C ATOM 407 CG PHE A 28 3.853 3.250 0.959 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.636 4.383 0.817 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.455 2.081 1.369 1.00 0.00 C ATOM 410 CE1 PHE A 28 5.991 4.345 1.078 1.00 0.00 C ATOM 411 CE2 PHE A 28 5.812 2.037 1.637 1.00 0.00 C ATOM 412 CZ PHE A 28 6.580 3.171 1.490 1.00 0.00 C ATOM 0 H PHE A 28 3.136 5.244 2.496 1.00 0.00 H new ATOM 0 HA PHE A 28 0.583 4.271 1.332 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.992 2.275 0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.211 3.740 -0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.181 5.309 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.860 1.187 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.589 5.236 0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.269 1.114 1.961 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.639 3.139 1.697 1.00 0.00 H new ATOM 422 N LEU A 29 0.573 2.278 2.934 1.00 0.00 N ATOM 423 CA LEU A 29 0.283 1.430 4.077 1.00 0.00 C ATOM 424 C LEU A 29 -0.208 0.070 3.620 1.00 0.00 C ATOM 425 O LEU A 29 -0.928 -0.037 2.630 1.00 0.00 O ATOM 426 CB LEU A 29 -0.761 2.087 4.982 1.00 0.00 C ATOM 427 CG LEU A 29 -2.063 2.585 4.310 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.979 2.603 2.794 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.236 1.729 4.748 1.00 0.00 C ATOM 0 H LEU A 29 0.065 2.023 2.087 1.00 0.00 H new ATOM 0 HA LEU A 29 1.204 1.297 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.033 1.372 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.291 2.935 5.480 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.208 3.615 4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.922 2.961 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.172 3.266 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.783 1.595 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.147 2.088 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.058 0.693 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.347 1.790 5.831 1.00 0.00 H new ATOM 441 N ILE A 30 0.173 -0.973 4.334 1.00 0.00 N ATOM 442 CA ILE A 30 -0.255 -2.308 3.952 1.00 0.00 C ATOM 443 C ILE A 30 -1.142 -2.936 5.010 1.00 0.00 C ATOM 444 O ILE A 30 -0.719 -3.181 6.139 1.00 0.00 O ATOM 445 CB ILE A 30 0.922 -3.253 3.629 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.236 -2.472 3.394 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.554 -4.090 2.414 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.785 -2.559 1.979 1.00 0.00 C ATOM 0 H ILE A 30 0.765 -0.927 5.164 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.831 -2.177 3.036 1.00 0.00 H new ATOM 0 HB ILE A 30 1.100 -3.906 4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.068 -1.423 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.992 -2.844 4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.377 -4.763 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.341 -4.673 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.362 -3.434 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.707 -1.981 1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.990 -3.601 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.052 -2.158 1.279 1.00 0.00 H new ATOM 460 N ARG A 31 -2.381 -3.194 4.622 1.00 0.00 N ATOM 461 CA ARG A 31 -3.360 -3.794 5.510 1.00 0.00 C ATOM 462 C ARG A 31 -3.703 -5.196 5.037 1.00 0.00 C ATOM 463 O ARG A 31 -3.045 -5.741 4.153 1.00 0.00 O ATOM 464 CB ARG A 31 -4.631 -2.946 5.533 1.00 0.00 C ATOM 465 CG ARG A 31 -5.402 -2.996 4.227 1.00 0.00 C ATOM 466 CD ARG A 31 -6.525 -1.971 4.203 1.00 0.00 C ATOM 467 NE ARG A 31 -7.701 -2.462 3.489 1.00 0.00 N ATOM 468 CZ ARG A 31 -8.373 -1.757 2.578 1.00 0.00 C ATOM 469 NH1 ARG A 31 -7.997 -0.520 2.267 1.00 0.00 N ATOM 470 NH2 ARG A 31 -9.426 -2.291 1.978 1.00 0.00 N ATOM 0 H ARG A 31 -2.734 -2.994 3.686 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.937 -3.844 6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.275 -3.289 6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.367 -1.912 5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.722 -2.812 3.395 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.816 -3.994 4.086 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.803 -1.714 5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.170 -1.056 3.730 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.029 -3.404 3.701 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.188 -0.102 2.727 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.518 0.011 1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.721 -3.239 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.942 -1.755 1.281 1.00 0.00 H new ATOM 484 N VAL A 32 -4.750 -5.764 5.609 1.00 0.00 N ATOM 485 CA VAL A 32 -5.185 -7.091 5.218 1.00 0.00 C ATOM 486 C VAL A 32 -6.341 -7.008 4.234 1.00 0.00 C ATOM 487 O VAL A 32 -7.092 -6.033 4.215 1.00 0.00 O ATOM 488 CB VAL A 32 -5.603 -7.940 6.433 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.413 -8.191 7.345 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.734 -7.262 7.194 1.00 0.00 C ATOM 0 H VAL A 32 -5.311 -5.329 6.341 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.335 -7.577 4.740 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.964 -8.903 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.728 -8.792 8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.637 -8.722 6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.019 -7.239 7.699 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.016 -7.876 8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.403 -6.284 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.594 -7.140 6.535 1.00 0.00 H new ATOM 500 N SER A 33 -6.458 -8.032 3.407 1.00 0.00 N ATOM 501 CA SER A 33 -7.499 -8.089 2.395 1.00 0.00 C ATOM 502 C SER A 33 -8.896 -7.990 2.994 1.00 0.00 C ATOM 503 O SER A 33 -9.425 -8.968 3.523 1.00 0.00 O ATOM 504 CB SER A 33 -7.380 -9.386 1.605 1.00 0.00 C ATOM 505 OG SER A 33 -6.198 -9.400 0.827 1.00 0.00 O ATOM 0 H SER A 33 -5.839 -8.843 3.417 1.00 0.00 H new ATOM 0 HA SER A 33 -7.358 -7.230 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.379 -10.234 2.290 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.248 -9.501 0.956 1.00 0.00 H new ATOM 0 HG SER A 33 -6.213 -8.650 0.196 1.00 0.00 H new ATOM 511 N GLU A 34 -9.506 -6.816 2.871 1.00 0.00 N ATOM 512 CA GLU A 34 -10.861 -6.614 3.363 1.00 0.00 C ATOM 513 C GLU A 34 -11.852 -7.247 2.392 1.00 0.00 C ATOM 514 O GLU A 34 -12.981 -7.580 2.752 1.00 0.00 O ATOM 515 CB GLU A 34 -11.161 -5.123 3.530 1.00 0.00 C ATOM 516 CG GLU A 34 -10.248 -4.427 4.524 1.00 0.00 C ATOM 517 CD GLU A 34 -10.697 -4.618 5.960 1.00 0.00 C ATOM 518 OE1 GLU A 34 -10.923 -5.779 6.361 1.00 0.00 O ATOM 519 OE2 GLU A 34 -10.822 -3.608 6.683 1.00 0.00 O ATOM 0 H GLU A 34 -9.085 -5.995 2.437 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.957 -7.089 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.071 -4.632 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.195 -5.003 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.234 -4.810 4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.214 -3.362 4.296 1.00 0.00 H new ATOM 526 N LYS A 35 -11.393 -7.416 1.159 1.00 0.00 N ATOM 527 CA LYS A 35 -12.192 -8.020 0.098 1.00 0.00 C ATOM 528 C LYS A 35 -11.568 -9.342 -0.356 1.00 0.00 C ATOM 529 O LYS A 35 -12.224 -10.384 -0.326 1.00 0.00 O ATOM 530 CB LYS A 35 -12.336 -7.066 -1.100 1.00 0.00 C ATOM 531 CG LYS A 35 -11.765 -5.673 -0.867 1.00 0.00 C ATOM 532 CD LYS A 35 -11.526 -4.944 -2.180 1.00 0.00 C ATOM 533 CE LYS A 35 -11.791 -3.453 -2.047 1.00 0.00 C ATOM 534 NZ LYS A 35 -10.737 -2.639 -2.714 1.00 0.00 N ATOM 0 H LYS A 35 -10.457 -7.139 0.865 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.186 -8.217 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.840 -7.509 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.393 -6.975 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.452 -5.095 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.828 -5.750 -0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.498 -5.104 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.172 -5.362 -2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.762 -3.217 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.842 -3.186 -0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.990 -1.632 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.825 -2.794 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.659 -2.922 -3.712 1.00 0.00 H new ATOM 548 N PRO A 36 -10.284 -9.326 -0.782 1.00 0.00 N ATOM 549 CA PRO A 36 -9.586 -10.538 -1.233 1.00 0.00 C ATOM 550 C PRO A 36 -9.606 -11.636 -0.171 1.00 0.00 C ATOM 551 O PRO A 36 -10.364 -11.557 0.796 1.00 0.00 O ATOM 552 CB PRO A 36 -8.155 -10.049 -1.498 1.00 0.00 C ATOM 553 CG PRO A 36 -8.300 -8.592 -1.751 1.00 0.00 C ATOM 554 CD PRO A 36 -9.412 -8.138 -0.854 1.00 0.00 C ATOM 0 HA PRO A 36 -10.055 -10.986 -2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.506 -10.241 -0.644 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.714 -10.559 -2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.375 -8.061 -1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.535 -8.397 -2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.044 -7.847 0.130 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.937 -7.276 -1.266 1.00 0.00 H new ATOM 562 N SER A 37 -8.786 -12.668 -0.356 1.00 0.00 N ATOM 563 CA SER A 37 -8.739 -13.779 0.592 1.00 0.00 C ATOM 564 C SER A 37 -7.482 -13.728 1.467 1.00 0.00 C ATOM 565 O SER A 37 -7.474 -13.076 2.511 1.00 0.00 O ATOM 566 CB SER A 37 -8.818 -15.113 -0.156 1.00 0.00 C ATOM 567 OG SER A 37 -8.537 -16.201 0.708 1.00 0.00 O ATOM 0 H SER A 37 -8.149 -12.758 -1.148 1.00 0.00 H new ATOM 0 HA SER A 37 -9.600 -13.688 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.812 -15.234 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.110 -15.111 -0.985 1.00 0.00 H new ATOM 0 HG SER A 37 -8.596 -17.041 0.206 1.00 0.00 H new ATOM 573 N ALA A 38 -6.424 -14.421 1.043 1.00 0.00 N ATOM 574 CA ALA A 38 -5.175 -14.449 1.798 1.00 0.00 C ATOM 575 C ALA A 38 -4.142 -13.528 1.167 1.00 0.00 C ATOM 576 O ALA A 38 -3.046 -13.956 0.804 1.00 0.00 O ATOM 577 CB ALA A 38 -4.641 -15.871 1.882 1.00 0.00 C ATOM 0 H ALA A 38 -6.409 -14.969 0.183 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.376 -14.092 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.709 -15.877 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.373 -16.506 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.458 -16.251 0.877 1.00 0.00 H new ATOM 583 N ASP A 39 -4.506 -12.262 1.034 1.00 0.00 N ATOM 584 CA ASP A 39 -3.621 -11.269 0.438 1.00 0.00 C ATOM 585 C ASP A 39 -3.523 -10.024 1.315 1.00 0.00 C ATOM 586 O ASP A 39 -4.049 -9.995 2.428 1.00 0.00 O ATOM 587 CB ASP A 39 -4.129 -10.887 -0.958 1.00 0.00 C ATOM 588 CG ASP A 39 -4.617 -12.088 -1.747 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.848 -13.063 -1.882 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.769 -12.053 -2.228 1.00 0.00 O ATOM 0 H ASP A 39 -5.410 -11.896 1.331 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.626 -11.706 0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.940 -10.166 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.329 -10.394 -1.510 1.00 0.00 H new ATOM 595 N TYR A 40 -2.872 -8.987 0.794 1.00 0.00 N ATOM 596 CA TYR A 40 -2.726 -7.729 1.510 1.00 0.00 C ATOM 597 C TYR A 40 -3.026 -6.606 0.559 1.00 0.00 C ATOM 598 O TYR A 40 -2.681 -6.684 -0.610 1.00 0.00 O ATOM 599 CB TYR A 40 -1.308 -7.563 2.098 1.00 0.00 C ATOM 600 CG TYR A 40 -1.232 -7.898 3.572 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.673 -9.126 4.043 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.718 -6.990 4.490 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.607 -9.442 5.386 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.646 -7.298 5.836 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.093 -8.525 6.279 1.00 0.00 C ATOM 606 OH TYR A 40 -1.024 -8.836 7.617 1.00 0.00 O ATOM 0 H TYR A 40 -2.436 -8.997 -0.128 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.422 -7.718 2.349 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.617 -8.204 1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.977 -6.535 1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.075 -9.848 3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.369 -6.028 4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.956 -10.402 5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.242 -6.582 6.536 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.636 -8.082 8.108 1.00 0.00 H new ATOM 616 N VAL A 41 -3.675 -5.572 1.047 1.00 0.00 N ATOM 617 CA VAL A 41 -4.008 -4.449 0.190 1.00 0.00 C ATOM 618 C VAL A 41 -3.241 -3.217 0.614 1.00 0.00 C ATOM 619 O VAL A 41 -3.205 -2.865 1.792 1.00 0.00 O ATOM 620 CB VAL A 41 -5.517 -4.168 0.168 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.227 -5.246 -0.641 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.074 -4.103 1.581 1.00 0.00 C ATOM 0 H VAL A 41 -3.980 -5.482 2.016 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.716 -4.715 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.689 -3.200 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.298 -5.044 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.844 -5.246 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.047 -6.220 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.145 -3.903 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.901 -5.054 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.576 -3.305 2.132 1.00 0.00 H new ATOM 632 N LEU A 42 -2.598 -2.584 -0.353 1.00 0.00 N ATOM 633 CA LEU A 42 -1.798 -1.413 -0.081 1.00 0.00 C ATOM 634 C LEU A 42 -2.408 -0.168 -0.694 1.00 0.00 C ATOM 635 O LEU A 42 -2.793 -0.165 -1.858 1.00 0.00 O ATOM 636 CB LEU A 42 -0.390 -1.605 -0.626 1.00 0.00 C ATOM 637 CG LEU A 42 0.530 -0.400 -0.462 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.056 -0.332 0.961 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.673 -0.488 -1.453 1.00 0.00 C ATOM 0 H LEU A 42 -2.618 -2.866 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.762 -1.281 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.064 -2.461 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.456 -1.852 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.034 0.511 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.712 0.532 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.220 -0.239 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.615 -1.240 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.327 0.375 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.240 -1.401 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.275 -0.501 -2.468 1.00 0.00 H new ATOM 651 N SER A 43 -2.469 0.896 0.086 1.00 0.00 N ATOM 652 CA SER A 43 -3.004 2.153 -0.396 1.00 0.00 C ATOM 653 C SER A 43 -1.980 3.249 -0.279 1.00 0.00 C ATOM 654 O SER A 43 -0.959 3.099 0.389 1.00 0.00 O ATOM 655 CB SER A 43 -4.291 2.516 0.315 1.00 0.00 C ATOM 656 OG SER A 43 -4.176 3.726 1.042 1.00 0.00 O ATOM 0 H SER A 43 -2.154 0.913 1.056 1.00 0.00 H new ATOM 0 HA SER A 43 -3.244 2.032 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.095 2.608 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.569 1.710 0.995 1.00 0.00 H new ATOM 0 HG SER A 43 -5.070 4.066 1.255 1.00 0.00 H new ATOM 662 N VAL A 44 -2.242 4.336 -0.965 1.00 0.00 N ATOM 663 CA VAL A 44 -1.313 5.451 -0.958 1.00 0.00 C ATOM 664 C VAL A 44 -2.000 6.772 -1.264 1.00 0.00 C ATOM 665 O VAL A 44 -2.878 6.844 -2.123 1.00 0.00 O ATOM 666 CB VAL A 44 -0.182 5.212 -1.981 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.695 5.337 -3.409 1.00 0.00 C ATOM 668 CG2 VAL A 44 0.978 6.163 -1.742 1.00 0.00 C ATOM 0 H VAL A 44 -3.079 4.476 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.897 5.514 0.048 1.00 0.00 H new ATOM 0 HB VAL A 44 0.179 4.193 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.124 5.163 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.479 4.599 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.098 6.338 -3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.761 5.973 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.631 7.192 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.376 6.007 -0.739 1.00 0.00 H new ATOM 678 N ARG A 45 -1.562 7.831 -0.587 1.00 0.00 N ATOM 679 CA ARG A 45 -2.110 9.157 -0.830 1.00 0.00 C ATOM 680 C ARG A 45 -1.736 9.593 -2.238 1.00 0.00 C ATOM 681 O ARG A 45 -2.245 10.586 -2.758 1.00 0.00 O ATOM 682 CB ARG A 45 -1.574 10.170 0.186 1.00 0.00 C ATOM 683 CG ARG A 45 -2.251 11.530 0.106 1.00 0.00 C ATOM 684 CD ARG A 45 -1.261 12.660 0.329 1.00 0.00 C ATOM 685 NE ARG A 45 -1.806 13.955 -0.074 1.00 0.00 N ATOM 686 CZ ARG A 45 -2.645 14.671 0.673 1.00 0.00 C ATOM 687 NH1 ARG A 45 -3.037 14.221 1.859 1.00 0.00 N ATOM 688 NH2 ARG A 45 -3.091 15.839 0.233 1.00 0.00 N ATOM 0 H ARG A 45 -0.835 7.795 0.128 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.194 9.116 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.704 9.768 1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.503 10.297 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.723 11.646 -0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.044 11.587 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.983 12.696 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.350 12.459 -0.234 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.528 14.332 -0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.696 13.323 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.680 14.773 2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.792 16.189 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.733 16.388 0.804 1.00 0.00 H new ATOM 702 N ASP A 46 -0.836 8.828 -2.848 1.00 0.00 N ATOM 703 CA ASP A 46 -0.374 9.113 -4.203 1.00 0.00 C ATOM 704 C ASP A 46 0.124 10.553 -4.327 1.00 0.00 C ATOM 705 O ASP A 46 1.297 10.834 -4.094 1.00 0.00 O ATOM 706 CB ASP A 46 -1.490 8.831 -5.219 1.00 0.00 C ATOM 707 CG ASP A 46 -1.159 7.677 -6.144 1.00 0.00 C ATOM 708 OD1 ASP A 46 -1.430 6.517 -5.770 1.00 0.00 O ATOM 709 OD2 ASP A 46 -0.634 7.937 -7.246 1.00 0.00 O ATOM 0 H ASP A 46 -0.411 8.003 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 46 0.466 8.454 -4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.415 8.610 -4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.671 9.727 -5.813 1.00 0.00 H new ATOM 714 N THR A 47 -0.772 11.451 -4.697 1.00 0.00 N ATOM 715 CA THR A 47 -0.430 12.861 -4.858 1.00 0.00 C ATOM 716 C THR A 47 -1.538 13.765 -4.320 1.00 0.00 C ATOM 717 O THR A 47 -1.547 14.969 -4.576 1.00 0.00 O ATOM 718 CB THR A 47 -0.179 13.176 -6.334 1.00 0.00 C ATOM 719 OG1 THR A 47 0.150 14.543 -6.505 1.00 0.00 O ATOM 720 CG2 THR A 47 -1.367 12.874 -7.221 1.00 0.00 C ATOM 0 H THR A 47 -1.748 11.231 -4.894 1.00 0.00 H new ATOM 0 HA THR A 47 0.477 13.053 -4.285 1.00 0.00 H new ATOM 0 HB THR A 47 0.648 12.531 -6.631 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.490 15.098 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.122 13.120 -8.254 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.615 11.815 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.222 13.469 -6.899 1.00 0.00 H new ATOM 728 N GLN A 48 -2.472 13.177 -3.575 1.00 0.00 N ATOM 729 CA GLN A 48 -3.589 13.921 -2.998 1.00 0.00 C ATOM 730 C GLN A 48 -4.611 12.960 -2.410 1.00 0.00 C ATOM 731 O GLN A 48 -4.628 12.705 -1.206 1.00 0.00 O ATOM 732 CB GLN A 48 -4.247 14.821 -4.053 1.00 0.00 C ATOM 733 CG GLN A 48 -3.989 16.303 -3.831 1.00 0.00 C ATOM 734 CD GLN A 48 -5.036 17.181 -4.487 1.00 0.00 C ATOM 735 OE1 GLN A 48 -6.236 16.932 -4.365 1.00 0.00 O ATOM 736 NE2 GLN A 48 -4.585 18.213 -5.190 1.00 0.00 N ATOM 0 H GLN A 48 -2.476 12.181 -3.356 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.204 14.557 -2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.879 14.540 -5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.322 14.643 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.967 16.508 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.006 16.560 -4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.582 18.381 -5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.242 18.838 -5.657 1.00 0.00 H new ATOM 745 N ALA A 49 -5.445 12.421 -3.278 1.00 0.00 N ATOM 746 CA ALA A 49 -6.466 11.465 -2.872 1.00 0.00 C ATOM 747 C ALA A 49 -5.820 10.140 -2.495 1.00 0.00 C ATOM 748 O ALA A 49 -4.597 10.046 -2.403 1.00 0.00 O ATOM 749 CB ALA A 49 -7.482 11.266 -3.988 1.00 0.00 C ATOM 0 H ALA A 49 -5.438 12.629 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.989 11.859 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.238 10.549 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.960 12.218 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.977 10.889 -4.877 1.00 0.00 H new ATOM 755 N VAL A 50 -6.634 9.116 -2.281 1.00 0.00 N ATOM 756 CA VAL A 50 -6.106 7.808 -1.918 1.00 0.00 C ATOM 757 C VAL A 50 -6.259 6.807 -3.053 1.00 0.00 C ATOM 758 O VAL A 50 -7.240 6.828 -3.798 1.00 0.00 O ATOM 759 CB VAL A 50 -6.777 7.239 -0.655 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.230 5.850 -0.340 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.563 8.180 0.517 1.00 0.00 C ATOM 0 H VAL A 50 -7.650 9.163 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.047 7.961 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.848 7.148 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.715 5.462 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.429 5.182 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.155 5.912 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.041 7.769 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.495 8.296 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.999 9.152 0.287 1.00 0.00 H new ATOM 771 N ARG A 51 -5.278 5.925 -3.162 1.00 0.00 N ATOM 772 CA ARG A 51 -5.276 4.894 -4.185 1.00 0.00 C ATOM 773 C ARG A 51 -4.935 3.549 -3.558 1.00 0.00 C ATOM 774 O ARG A 51 -3.789 3.295 -3.194 1.00 0.00 O ATOM 775 CB ARG A 51 -4.268 5.240 -5.278 1.00 0.00 C ATOM 776 CG ARG A 51 -4.456 6.632 -5.858 1.00 0.00 C ATOM 777 CD ARG A 51 -3.984 6.702 -7.302 1.00 0.00 C ATOM 778 NE ARG A 51 -5.103 6.798 -8.238 1.00 0.00 N ATOM 779 CZ ARG A 51 -5.105 6.260 -9.458 1.00 0.00 C ATOM 780 NH1 ARG A 51 -4.043 5.601 -9.907 1.00 0.00 N ATOM 781 NH2 ARG A 51 -6.172 6.389 -10.236 1.00 0.00 N ATOM 0 H ARG A 51 -4.465 5.904 -2.547 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.267 4.834 -4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.260 5.158 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.348 4.507 -6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.508 6.911 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.904 7.355 -5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.330 7.565 -7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.392 5.817 -7.534 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.934 7.308 -7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.217 5.503 -9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.054 5.193 -10.842 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.989 6.899 -9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.175 5.978 -11.170 1.00 0.00 H new ATOM 795 N HIS A 52 -5.943 2.700 -3.413 1.00 0.00 N ATOM 796 CA HIS A 52 -5.753 1.389 -2.805 1.00 0.00 C ATOM 797 C HIS A 52 -5.278 0.378 -3.832 1.00 0.00 C ATOM 798 O HIS A 52 -5.426 0.591 -5.035 1.00 0.00 O ATOM 799 CB HIS A 52 -7.057 0.927 -2.163 1.00 0.00 C ATOM 800 CG HIS A 52 -7.570 1.945 -1.213 1.00 0.00 C ATOM 801 ND1 HIS A 52 -7.039 2.095 0.038 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.456 2.952 -1.374 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.549 3.159 0.604 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.423 3.702 -0.226 1.00 0.00 N ATOM 0 H HIS A 52 -6.900 2.895 -3.708 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.985 1.469 -2.036 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.801 0.739 -2.937 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.895 -0.016 -1.640 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.352 1.474 0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.073 3.132 -2.242 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.298 3.532 1.586 1.00 0.00 H new ATOM 813 N TYR A 53 -4.687 -0.712 -3.360 1.00 0.00 N ATOM 814 CA TYR A 53 -4.171 -1.727 -4.259 1.00 0.00 C ATOM 815 C TYR A 53 -4.179 -3.110 -3.625 1.00 0.00 C ATOM 816 O TYR A 53 -3.772 -3.283 -2.479 1.00 0.00 O ATOM 817 CB TYR A 53 -2.750 -1.355 -4.667 1.00 0.00 C ATOM 818 CG TYR A 53 -2.607 0.081 -5.116 1.00 0.00 C ATOM 819 CD1 TYR A 53 -3.103 0.495 -6.343 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.965 1.020 -4.318 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.961 1.801 -6.768 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.824 2.329 -4.733 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.320 2.715 -5.959 1.00 0.00 C ATOM 824 OH TYR A 53 -2.170 4.019 -6.378 1.00 0.00 O ATOM 0 H TYR A 53 -4.555 -0.912 -2.368 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.821 -1.766 -5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.081 -1.532 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.428 -2.013 -5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.610 -0.217 -6.978 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.570 0.721 -3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.350 2.105 -7.729 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.327 3.048 -4.099 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.549 4.485 -5.780 1.00 0.00 H new ATOM 834 N LYS A 54 -4.625 -4.094 -4.393 1.00 0.00 N ATOM 835 CA LYS A 54 -4.668 -5.470 -3.930 1.00 0.00 C ATOM 836 C LYS A 54 -3.318 -6.133 -4.150 1.00 0.00 C ATOM 837 O LYS A 54 -2.875 -6.295 -5.284 1.00 0.00 O ATOM 838 CB LYS A 54 -5.752 -6.253 -4.674 1.00 0.00 C ATOM 839 CG LYS A 54 -6.288 -7.444 -3.896 1.00 0.00 C ATOM 840 CD LYS A 54 -5.895 -8.761 -4.546 1.00 0.00 C ATOM 841 CE LYS A 54 -6.628 -8.973 -5.861 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.819 -8.528 -7.028 1.00 0.00 N ATOM 0 H LYS A 54 -4.964 -3.961 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.903 -5.469 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.578 -5.581 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.348 -6.603 -5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.907 -7.414 -2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.374 -7.379 -3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.819 -8.775 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.118 -9.584 -3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.875 -10.029 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.570 -8.426 -5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.253 -7.682 -7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.853 -8.302 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.784 -9.288 -7.737 1.00 0.00 H new ATOM 856 N ILE A 55 -2.679 -6.525 -3.059 1.00 0.00 N ATOM 857 CA ILE A 55 -1.388 -7.186 -3.115 1.00 0.00 C ATOM 858 C ILE A 55 -1.615 -8.674 -2.906 1.00 0.00 C ATOM 859 O ILE A 55 -1.839 -9.121 -1.782 1.00 0.00 O ATOM 860 CB ILE A 55 -0.426 -6.637 -2.033 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.758 -5.184 -1.662 1.00 0.00 C ATOM 862 CG2 ILE A 55 1.021 -6.732 -2.483 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.259 -4.803 -0.292 1.00 0.00 C ATOM 0 H ILE A 55 -3.040 -6.394 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.926 -6.999 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.562 -7.258 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.319 -4.515 -2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.838 -5.041 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.672 -6.339 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.274 -7.774 -2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.157 -6.151 -3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.522 -3.766 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.718 -5.450 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.824 -4.917 -0.255 1.00 0.00 H new ATOM 875 N TRP A 56 -1.613 -9.428 -3.999 1.00 0.00 N ATOM 876 CA TRP A 56 -1.886 -10.859 -3.943 1.00 0.00 C ATOM 877 C TRP A 56 -0.647 -11.671 -3.589 1.00 0.00 C ATOM 878 O TRP A 56 0.449 -11.417 -4.089 1.00 0.00 O ATOM 879 CB TRP A 56 -2.459 -11.322 -5.284 1.00 0.00 C ATOM 880 CG TRP A 56 -3.050 -12.697 -5.244 1.00 0.00 C ATOM 881 CD1 TRP A 56 -2.378 -13.881 -5.332 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.437 -13.032 -5.108 1.00 0.00 C ATOM 883 NE1 TRP A 56 -3.259 -14.932 -5.257 1.00 0.00 N ATOM 884 CE2 TRP A 56 -4.529 -14.437 -5.119 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.608 -12.282 -4.976 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -5.746 -15.104 -5.004 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.816 -12.945 -4.862 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.876 -14.345 -4.876 1.00 0.00 C ATOM 0 H TRP A 56 -1.425 -9.072 -4.936 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.614 -11.029 -3.150 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.225 -10.616 -5.605 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.669 -11.298 -6.034 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -1.308 -13.978 -5.444 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -3.009 -15.920 -5.297 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.570 -11.203 -4.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.796 -16.183 -5.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.728 -12.375 -4.761 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -7.834 -14.834 -4.784 1.00 0.00 H new ATOM 899 N ARG A 57 -0.845 -12.649 -2.709 1.00 0.00 N ATOM 900 CA ARG A 57 0.236 -13.514 -2.257 1.00 0.00 C ATOM 901 C ARG A 57 0.372 -14.736 -3.158 1.00 0.00 C ATOM 902 O ARG A 57 -0.602 -15.194 -3.752 1.00 0.00 O ATOM 903 CB ARG A 57 -0.014 -13.957 -0.815 1.00 0.00 C ATOM 904 CG ARG A 57 1.256 -14.183 -0.014 1.00 0.00 C ATOM 905 CD ARG A 57 1.030 -15.170 1.120 1.00 0.00 C ATOM 906 NE ARG A 57 -0.225 -14.917 1.825 1.00 0.00 N ATOM 907 CZ ARG A 57 -0.382 -13.963 2.740 1.00 0.00 C ATOM 908 NH1 ARG A 57 0.632 -13.168 3.059 1.00 0.00 N ATOM 909 NH2 ARG A 57 -1.555 -13.802 3.336 1.00 0.00 N ATOM 0 H ARG A 57 -1.752 -12.861 -2.293 1.00 0.00 H new ATOM 0 HA ARG A 57 1.166 -12.947 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.620 -13.203 -0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.596 -14.879 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.041 -14.556 -0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.605 -13.234 0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.024 -16.185 0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.860 -15.109 1.824 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.028 -15.506 1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.536 -13.287 2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.507 -12.438 3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.338 -14.409 3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.675 -13.071 4.037 1.00 0.00 H new ATOM 923 N ARG A 58 1.588 -15.259 -3.251 1.00 0.00 N ATOM 924 CA ARG A 58 1.856 -16.428 -4.080 1.00 0.00 C ATOM 925 C ARG A 58 1.698 -17.725 -3.286 1.00 0.00 C ATOM 926 O ARG A 58 2.145 -18.784 -3.723 1.00 0.00 O ATOM 927 CB ARG A 58 3.267 -16.345 -4.657 1.00 0.00 C ATOM 928 CG ARG A 58 3.340 -15.605 -5.982 1.00 0.00 C ATOM 929 CD ARG A 58 4.414 -16.186 -6.886 1.00 0.00 C ATOM 930 NE ARG A 58 3.969 -17.408 -7.550 1.00 0.00 N ATOM 931 CZ ARG A 58 3.047 -17.438 -8.509 1.00 0.00 C ATOM 932 NH1 ARG A 58 2.469 -16.315 -8.918 1.00 0.00 N ATOM 933 NH2 ARG A 58 2.702 -18.593 -9.062 1.00 0.00 N ATOM 0 H ARG A 58 2.405 -14.892 -2.763 1.00 0.00 H new ATOM 0 HA ARG A 58 1.128 -16.437 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.916 -15.848 -3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.655 -17.355 -4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.373 -15.658 -6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.547 -14.551 -5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.694 -15.447 -7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.307 -16.398 -6.298 1.00 0.00 H new ATOM 0 HE ARG A 58 4.390 -18.291 -7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.731 -15.424 -8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.763 -16.343 -9.653 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.143 -19.459 -8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.995 -18.616 -9.797 1.00 0.00 H new ATOM 947 N ALA A 59 1.063 -17.637 -2.119 1.00 0.00 N ATOM 948 CA ALA A 59 0.857 -18.808 -1.274 1.00 0.00 C ATOM 949 C ALA A 59 2.180 -19.497 -0.952 1.00 0.00 C ATOM 950 O ALA A 59 2.210 -20.685 -0.629 1.00 0.00 O ATOM 951 CB ALA A 59 -0.097 -19.783 -1.949 1.00 0.00 C ATOM 0 H ALA A 59 0.684 -16.770 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 59 0.416 -18.473 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.242 -20.653 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.056 -19.294 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.323 -20.102 -2.903 1.00 0.00 H new ATOM 957 N GLY A 60 3.274 -18.745 -1.043 1.00 0.00 N ATOM 958 CA GLY A 60 4.584 -19.301 -0.758 1.00 0.00 C ATOM 959 C GLY A 60 5.620 -18.231 -0.474 1.00 0.00 C ATOM 960 O GLY A 60 6.816 -18.447 -0.676 1.00 0.00 O ATOM 0 H GLY A 60 3.276 -17.760 -1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.512 -19.970 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.912 -19.903 -1.605 1.00 0.00 H new ATOM 964 N GLY A 61 5.163 -17.075 -0.001 1.00 0.00 N ATOM 965 CA GLY A 61 6.074 -15.988 0.306 1.00 0.00 C ATOM 966 C GLY A 61 6.347 -15.095 -0.888 1.00 0.00 C ATOM 967 O GLY A 61 7.440 -15.124 -1.455 1.00 0.00 O ATOM 0 H GLY A 61 4.179 -16.872 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.657 -15.388 1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.016 -16.401 0.668 1.00 0.00 H new ATOM 971 N ARG A 62 5.356 -14.297 -1.270 1.00 0.00 N ATOM 972 CA ARG A 62 5.496 -13.388 -2.400 1.00 0.00 C ATOM 973 C ARG A 62 4.282 -12.473 -2.505 1.00 0.00 C ATOM 974 O ARG A 62 3.193 -12.822 -2.059 1.00 0.00 O ATOM 975 CB ARG A 62 5.677 -14.172 -3.700 1.00 0.00 C ATOM 976 CG ARG A 62 6.811 -13.652 -4.571 1.00 0.00 C ATOM 977 CD ARG A 62 7.430 -14.763 -5.406 1.00 0.00 C ATOM 978 NE ARG A 62 7.248 -14.534 -6.837 1.00 0.00 N ATOM 979 CZ ARG A 62 7.611 -15.403 -7.778 1.00 0.00 C ATOM 980 NH1 ARG A 62 8.174 -16.557 -7.443 1.00 0.00 N ATOM 981 NH2 ARG A 62 7.409 -15.117 -9.057 1.00 0.00 N ATOM 0 H ARG A 62 4.445 -14.262 -0.812 1.00 0.00 H new ATOM 0 HA ARG A 62 6.382 -12.775 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.864 -15.219 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.748 -14.137 -4.268 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.435 -12.868 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.577 -13.200 -3.941 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.494 -14.835 -5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.981 -15.717 -5.131 1.00 0.00 H new ATOM 0 HE ARG A 62 6.818 -13.658 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.331 -16.782 -6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.450 -17.219 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.976 -14.232 -9.319 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.687 -15.782 -9.778 1.00 0.00 H new ATOM 995 N LEU A 63 4.481 -11.302 -3.096 1.00 0.00 N ATOM 996 CA LEU A 63 3.404 -10.336 -3.262 1.00 0.00 C ATOM 997 C LEU A 63 3.444 -9.731 -4.654 1.00 0.00 C ATOM 998 O LEU A 63 4.514 -9.432 -5.177 1.00 0.00 O ATOM 999 CB LEU A 63 3.508 -9.227 -2.214 1.00 0.00 C ATOM 1000 CG LEU A 63 2.883 -9.565 -0.864 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.431 -9.977 -1.044 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.675 -10.667 -0.174 1.00 0.00 C ATOM 0 H LEU A 63 5.380 -10.998 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 63 2.457 -10.859 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.560 -8.987 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.030 -8.329 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 63 2.912 -8.677 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.997 -10.215 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.874 -9.158 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.379 -10.854 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.217 -10.897 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.675 -11.560 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.701 -10.334 -0.017 1.00 0.00 H new ATOM 1014 N HIS A 64 2.276 -9.545 -5.246 1.00 0.00 N ATOM 1015 CA HIS A 64 2.190 -8.973 -6.577 1.00 0.00 C ATOM 1016 C HIS A 64 0.872 -8.238 -6.765 1.00 0.00 C ATOM 1017 O HIS A 64 -0.164 -8.851 -7.024 1.00 0.00 O ATOM 1018 CB HIS A 64 2.349 -10.063 -7.642 1.00 0.00 C ATOM 1019 CG HIS A 64 1.228 -11.057 -7.675 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.142 -10.936 -8.514 1.00 0.00 N ATOM 1021 CD2 HIS A 64 1.034 -12.201 -6.974 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.672 -11.961 -8.330 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.153 -12.743 -7.402 1.00 0.00 N ATOM 0 H HIS A 64 1.377 -9.781 -4.826 1.00 0.00 H new ATOM 0 HA HIS A 64 3.002 -8.255 -6.691 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.429 -9.590 -8.621 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.285 -10.593 -7.466 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.690 -12.610 -6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.603 -12.130 -8.850 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.567 -13.610 -7.058 1.00 0.00 H new ATOM 1032 N LEU A 65 0.912 -6.918 -6.640 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.288 -6.118 -6.813 1.00 0.00 C ATOM 1034 C LEU A 65 -0.748 -6.184 -8.266 1.00 0.00 C ATOM 1035 O LEU A 65 -1.904 -5.901 -8.585 1.00 0.00 O ATOM 1036 CB LEU A 65 -0.040 -4.668 -6.397 1.00 0.00 C ATOM 1037 CG LEU A 65 0.352 -4.482 -4.933 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.843 -4.718 -4.754 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -0.034 -3.094 -4.447 1.00 0.00 C ATOM 0 H LEU A 65 1.754 -6.385 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.072 -6.523 -6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.748 -4.254 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.942 -4.089 -6.594 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.189 -5.214 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.110 -4.582 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.090 -5.734 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.400 -4.007 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.254 -2.981 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.479 -2.343 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.112 -2.962 -4.543 1.00 0.00 H new ATOM 1051 N ASN A 66 0.177 -6.577 -9.136 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.093 -6.710 -10.560 1.00 0.00 C ATOM 1053 C ASN A 66 0.541 -7.990 -11.095 1.00 0.00 C ATOM 1054 O ASN A 66 1.308 -8.653 -10.395 1.00 0.00 O ATOM 1055 CB ASN A 66 0.445 -5.501 -11.327 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.268 -5.290 -12.648 1.00 0.00 C ATOM 1057 OD1 ASN A 66 0.320 -5.449 -13.717 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -1.545 -4.930 -12.581 1.00 0.00 N ATOM 0 H ASN A 66 1.134 -6.812 -8.872 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.173 -6.758 -10.703 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.337 -4.607 -10.712 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.511 -5.635 -11.510 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.077 -4.774 -13.437 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.994 -4.809 -11.673 1.00 0.00 H new ATOM 1065 N GLU A 67 0.222 -8.336 -12.337 1.00 0.00 N ATOM 1066 CA GLU A 67 0.763 -9.542 -12.955 1.00 0.00 C ATOM 1067 C GLU A 67 2.193 -9.333 -13.456 1.00 0.00 C ATOM 1068 O GLU A 67 2.657 -10.057 -14.337 1.00 0.00 O ATOM 1069 CB GLU A 67 -0.132 -9.987 -14.114 1.00 0.00 C ATOM 1070 CG GLU A 67 -1.208 -10.979 -13.704 1.00 0.00 C ATOM 1071 CD GLU A 67 -2.454 -10.300 -13.171 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -3.009 -9.435 -13.882 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -2.876 -10.631 -12.043 1.00 0.00 O ATOM 0 H GLU A 67 -0.407 -7.800 -12.935 1.00 0.00 H new ATOM 0 HA GLU A 67 0.787 -10.319 -12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.607 -9.110 -14.553 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.488 -10.436 -14.890 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.474 -11.596 -14.562 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.809 -11.648 -12.942 1.00 0.00 H new ATOM 1080 N ALA A 68 2.891 -8.347 -12.895 1.00 0.00 N ATOM 1081 CA ALA A 68 4.262 -8.067 -13.301 1.00 0.00 C ATOM 1082 C ALA A 68 5.075 -7.435 -12.172 1.00 0.00 C ATOM 1083 O ALA A 68 6.141 -6.871 -12.415 1.00 0.00 O ATOM 1084 CB ALA A 68 4.271 -7.164 -14.524 1.00 0.00 C ATOM 0 H ALA A 68 2.531 -7.734 -12.164 1.00 0.00 H new ATOM 0 HA ALA A 68 4.732 -9.018 -13.550 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.301 -6.961 -14.819 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.749 -7.657 -15.344 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.770 -6.226 -14.287 1.00 0.00 H new ATOM 1090 N VAL A 69 4.580 -7.526 -10.937 1.00 0.00 N ATOM 1091 CA VAL A 69 5.291 -6.949 -9.798 1.00 0.00 C ATOM 1092 C VAL A 69 5.311 -7.903 -8.603 1.00 0.00 C ATOM 1093 O VAL A 69 4.811 -7.576 -7.528 1.00 0.00 O ATOM 1094 CB VAL A 69 4.666 -5.606 -9.367 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.672 -4.618 -10.524 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.252 -5.809 -8.841 1.00 0.00 C ATOM 0 H VAL A 69 3.701 -7.988 -10.702 1.00 0.00 H new ATOM 0 HA VAL A 69 6.316 -6.776 -10.126 1.00 0.00 H new ATOM 0 HB VAL A 69 5.271 -5.194 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.227 -3.677 -10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.698 -4.443 -10.847 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.095 -5.026 -11.354 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.833 -4.848 -8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.633 -6.249 -9.623 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.277 -6.476 -7.979 1.00 0.00 H new ATOM 1106 N SER A 70 5.893 -9.082 -8.796 1.00 0.00 N ATOM 1107 CA SER A 70 5.970 -10.076 -7.729 1.00 0.00 C ATOM 1108 C SER A 70 7.178 -9.834 -6.824 1.00 0.00 C ATOM 1109 O SER A 70 8.276 -9.548 -7.302 1.00 0.00 O ATOM 1110 CB SER A 70 6.040 -11.484 -8.323 1.00 0.00 C ATOM 1111 OG SER A 70 5.311 -11.562 -9.536 1.00 0.00 O ATOM 0 H SER A 70 6.317 -9.373 -9.677 1.00 0.00 H new ATOM 0 HA SER A 70 5.069 -9.982 -7.123 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.080 -11.755 -8.502 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.641 -12.204 -7.608 1.00 0.00 H new ATOM 0 HG SER A 70 5.372 -12.471 -9.897 1.00 0.00 H new ATOM 1117 N PHE A 71 6.964 -9.950 -5.514 1.00 0.00 N ATOM 1118 CA PHE A 71 8.031 -9.744 -4.538 1.00 0.00 C ATOM 1119 C PHE A 71 7.817 -10.593 -3.294 1.00 0.00 C ATOM 1120 O PHE A 71 6.791 -10.496 -2.625 1.00 0.00 O ATOM 1121 CB PHE A 71 8.124 -8.267 -4.161 1.00 0.00 C ATOM 1122 CG PHE A 71 9.148 -7.520 -4.967 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.475 -7.497 -4.572 1.00 0.00 C ATOM 1124 CD2 PHE A 71 8.783 -6.850 -6.122 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.421 -6.816 -5.314 1.00 0.00 C ATOM 1126 CE2 PHE A 71 9.725 -6.168 -6.869 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.046 -6.151 -6.464 1.00 0.00 C ATOM 0 H PHE A 71 6.060 -10.186 -5.105 1.00 0.00 H new ATOM 0 HA PHE A 71 8.970 -10.054 -4.997 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.149 -7.800 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.370 -8.182 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.774 -8.017 -3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.752 -6.860 -6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.453 -6.804 -4.995 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.429 -5.649 -7.769 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.784 -5.618 -7.046 1.00 0.00 H new ATOM 1137 N LEU A 72 8.816 -11.421 -3.007 1.00 0.00 N ATOM 1138 CA LEU A 72 8.828 -12.327 -1.855 1.00 0.00 C ATOM 1139 C LEU A 72 7.946 -11.852 -0.694 1.00 0.00 C ATOM 1140 O LEU A 72 7.293 -12.662 -0.037 1.00 0.00 O ATOM 1141 CB LEU A 72 10.263 -12.466 -1.366 1.00 0.00 C ATOM 1142 CG LEU A 72 11.019 -11.141 -1.278 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.726 -10.453 0.049 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.514 -11.360 -1.453 1.00 0.00 C ATOM 0 H LEU A 72 9.659 -11.485 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 72 8.419 -13.281 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.257 -12.936 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.801 -13.136 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 72 10.677 -10.494 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.271 -9.510 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.657 -10.258 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.040 -11.097 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.032 -10.403 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.878 -12.025 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.704 -11.809 -2.428 1.00 0.00 H new ATOM 1156 N SER A 73 7.940 -10.549 -0.433 1.00 0.00 N ATOM 1157 CA SER A 73 7.145 -10.003 0.660 1.00 0.00 C ATOM 1158 C SER A 73 6.771 -8.548 0.407 1.00 0.00 C ATOM 1159 O SER A 73 7.064 -7.993 -0.652 1.00 0.00 O ATOM 1160 CB SER A 73 7.911 -10.119 1.980 1.00 0.00 C ATOM 1161 OG SER A 73 7.025 -10.305 3.070 1.00 0.00 O ATOM 0 H SER A 73 8.473 -9.856 -0.959 1.00 0.00 H new ATOM 0 HA SER A 73 6.224 -10.583 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.608 -10.955 1.927 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.505 -9.219 2.140 1.00 0.00 H new ATOM 0 HG SER A 73 7.539 -10.378 3.901 1.00 0.00 H new ATOM 1167 N LEU A 74 6.117 -7.939 1.392 1.00 0.00 N ATOM 1168 CA LEU A 74 5.693 -6.550 1.288 1.00 0.00 C ATOM 1169 C LEU A 74 6.883 -5.597 1.255 1.00 0.00 C ATOM 1170 O LEU A 74 7.057 -4.849 0.295 1.00 0.00 O ATOM 1171 CB LEU A 74 4.785 -6.180 2.446 1.00 0.00 C ATOM 1172 CG LEU A 74 3.333 -6.591 2.258 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.493 -6.039 3.388 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.822 -6.110 0.904 1.00 0.00 C ATOM 0 H LEU A 74 5.869 -8.389 2.273 1.00 0.00 H new ATOM 0 HA LEU A 74 5.147 -6.452 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.167 -6.644 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.829 -5.101 2.597 1.00 0.00 H new ATOM 0 HG LEU A 74 3.259 -7.678 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.454 -6.337 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.858 -6.431 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.561 -4.951 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.781 -6.410 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.895 -5.024 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.424 -6.552 0.110 1.00 0.00 H new ATOM 1186 N PRO A 75 7.727 -5.603 2.311 1.00 0.00 N ATOM 1187 CA PRO A 75 8.900 -4.733 2.392 1.00 0.00 C ATOM 1188 C PRO A 75 9.640 -4.664 1.064 1.00 0.00 C ATOM 1189 O PRO A 75 10.126 -3.607 0.662 1.00 0.00 O ATOM 1190 CB PRO A 75 9.777 -5.390 3.473 1.00 0.00 C ATOM 1191 CG PRO A 75 9.050 -6.626 3.906 1.00 0.00 C ATOM 1192 CD PRO A 75 7.614 -6.444 3.505 1.00 0.00 C ATOM 0 HA PRO A 75 8.632 -3.704 2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.763 -5.636 3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.930 -4.714 4.314 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.475 -7.511 3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.136 -6.768 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.129 -7.396 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.031 -5.961 4.289 1.00 0.00 H new ATOM 1200 N GLU A 76 9.698 -5.797 0.375 1.00 0.00 N ATOM 1201 CA GLU A 76 10.354 -5.862 -0.918 1.00 0.00 C ATOM 1202 C GLU A 76 9.360 -5.530 -2.024 1.00 0.00 C ATOM 1203 O GLU A 76 9.734 -4.984 -3.062 1.00 0.00 O ATOM 1204 CB GLU A 76 10.961 -7.246 -1.148 1.00 0.00 C ATOM 1205 CG GLU A 76 11.845 -7.719 -0.005 1.00 0.00 C ATOM 1206 CD GLU A 76 12.885 -6.690 0.397 1.00 0.00 C ATOM 1207 OE1 GLU A 76 13.222 -5.827 -0.441 1.00 0.00 O ATOM 1208 OE2 GLU A 76 13.363 -6.749 1.550 1.00 0.00 O ATOM 0 H GLU A 76 9.298 -6.680 0.692 1.00 0.00 H new ATOM 0 HA GLU A 76 11.161 -5.129 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.157 -7.966 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.547 -7.229 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.221 -7.955 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.347 -8.641 -0.297 1.00 0.00 H new ATOM 1215 N LEU A 77 8.085 -5.845 -1.789 1.00 0.00 N ATOM 1216 CA LEU A 77 7.050 -5.552 -2.767 1.00 0.00 C ATOM 1217 C LEU A 77 6.905 -4.043 -2.922 1.00 0.00 C ATOM 1218 O LEU A 77 6.734 -3.532 -4.030 1.00 0.00 O ATOM 1219 CB LEU A 77 5.721 -6.187 -2.342 1.00 0.00 C ATOM 1220 CG LEU A 77 4.462 -5.630 -3.016 1.00 0.00 C ATOM 1221 CD1 LEU A 77 3.975 -4.384 -2.288 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.719 -5.331 -4.489 1.00 0.00 C ATOM 0 H LEU A 77 7.752 -6.298 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 77 7.334 -5.977 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.772 -7.257 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.614 -6.069 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 77 3.681 -6.388 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.081 -4.002 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.741 -4.635 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.754 -3.622 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.810 -4.937 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.518 -4.594 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.013 -6.248 -5.000 1.00 0.00 H new ATOM 1234 N VAL A 78 6.997 -3.333 -1.803 1.00 0.00 N ATOM 1235 CA VAL A 78 6.899 -1.884 -1.814 1.00 0.00 C ATOM 1236 C VAL A 78 8.186 -1.277 -2.365 1.00 0.00 C ATOM 1237 O VAL A 78 8.160 -0.249 -3.039 1.00 0.00 O ATOM 1238 CB VAL A 78 6.622 -1.322 -0.403 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.665 0.200 -0.402 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.275 -1.813 0.112 1.00 0.00 C ATOM 0 H VAL A 78 7.139 -3.740 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 78 6.061 -1.614 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 78 7.405 -1.685 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.467 0.569 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.651 0.536 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.909 0.586 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.096 -1.407 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.485 -1.482 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.279 -2.902 0.159 1.00 0.00 H new ATOM 1250 N ASN A 79 9.314 -1.930 -2.079 1.00 0.00 N ATOM 1251 CA ASN A 79 10.613 -1.460 -2.553 1.00 0.00 C ATOM 1252 C ASN A 79 10.549 -1.100 -4.035 1.00 0.00 C ATOM 1253 O ASN A 79 10.891 0.014 -4.428 1.00 0.00 O ATOM 1254 CB ASN A 79 11.684 -2.527 -2.317 1.00 0.00 C ATOM 1255 CG ASN A 79 12.981 -1.938 -1.797 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.043 -0.759 -1.446 1.00 0.00 O ATOM 1257 ND2 ASN A 79 14.025 -2.757 -1.745 1.00 0.00 N ATOM 0 H ASN A 79 9.352 -2.784 -1.522 1.00 0.00 H new ATOM 0 HA ASN A 79 10.878 -0.565 -1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.310 -3.262 -1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.877 -3.057 -3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.924 -2.416 -1.404 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.928 -3.727 -2.046 1.00 0.00 H new ATOM 1264 N TYR A 80 10.089 -2.046 -4.848 1.00 0.00 N ATOM 1265 CA TYR A 80 9.960 -1.818 -6.282 1.00 0.00 C ATOM 1266 C TYR A 80 8.898 -0.757 -6.542 1.00 0.00 C ATOM 1267 O TYR A 80 9.047 0.084 -7.428 1.00 0.00 O ATOM 1268 CB TYR A 80 9.596 -3.120 -7.000 1.00 0.00 C ATOM 1269 CG TYR A 80 9.312 -2.947 -8.476 1.00 0.00 C ATOM 1270 CD1 TYR A 80 10.279 -2.442 -9.336 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.075 -3.291 -9.011 1.00 0.00 C ATOM 1272 CE1 TYR A 80 10.024 -2.285 -10.685 1.00 0.00 C ATOM 1273 CE2 TYR A 80 7.813 -3.138 -10.359 1.00 0.00 C ATOM 1274 CZ TYR A 80 8.790 -2.634 -11.191 1.00 0.00 C ATOM 1275 OH TYR A 80 8.533 -2.480 -12.534 1.00 0.00 O ATOM 0 H TYR A 80 9.800 -2.974 -4.539 1.00 0.00 H new ATOM 0 HA TYR A 80 10.916 -1.467 -6.671 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.413 -3.831 -6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.720 -3.556 -6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.247 -2.167 -8.943 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.307 -3.684 -8.362 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.787 -1.891 -11.339 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.848 -3.412 -10.759 1.00 0.00 H new ATOM 0 HH TYR A 80 8.312 -3.350 -12.927 1.00 0.00 H new ATOM 1285 N HIS A 81 7.832 -0.799 -5.748 1.00 0.00 N ATOM 1286 CA HIS A 81 6.747 0.165 -5.875 1.00 0.00 C ATOM 1287 C HIS A 81 7.262 1.577 -5.646 1.00 0.00 C ATOM 1288 O HIS A 81 6.798 2.530 -6.270 1.00 0.00 O ATOM 1289 CB HIS A 81 5.646 -0.139 -4.859 1.00 0.00 C ATOM 1290 CG HIS A 81 4.614 -1.097 -5.354 1.00 0.00 C ATOM 1291 ND1 HIS A 81 3.324 -1.272 -4.987 1.00 0.00 N flip ATOM 1292 CD2 HIS A 81 4.856 -2.013 -6.350 1.00 0.00 C flip ATOM 1293 CE1 HIS A 81 2.813 -2.280 -5.766 1.00 0.00 C flip ATOM 1294 NE2 HIS A 81 3.760 -2.711 -6.579 1.00 0.00 N flip ATOM 0 H HIS A 81 7.698 -1.491 -5.010 1.00 0.00 H new ATOM 0 HA HIS A 81 6.341 0.089 -6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.101 -0.545 -3.956 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.157 0.794 -4.578 1.00 0.00 H new ATOM 0 HD1 HIS A 81 2.824 -0.752 -4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.797 -2.141 -6.865 1.00 0.00 H new ATOM 0 HE1 HIS A 81 1.802 -2.658 -5.721 1.00 0.00 H new ATOM 1303 N ARG A 82 8.219 1.701 -4.735 1.00 0.00 N ATOM 1304 CA ARG A 82 8.793 2.994 -4.406 1.00 0.00 C ATOM 1305 C ARG A 82 9.578 3.554 -5.569 1.00 0.00 C ATOM 1306 O ARG A 82 9.490 4.738 -5.886 1.00 0.00 O ATOM 1307 CB ARG A 82 9.676 2.882 -3.157 1.00 0.00 C ATOM 1308 CG ARG A 82 10.595 4.077 -2.928 1.00 0.00 C ATOM 1309 CD ARG A 82 12.060 3.673 -2.994 1.00 0.00 C ATOM 1310 NE ARG A 82 12.609 3.815 -4.341 1.00 0.00 N ATOM 1311 CZ ARG A 82 13.408 4.811 -4.724 1.00 0.00 C ATOM 1312 NH1 ARG A 82 13.751 5.770 -3.872 1.00 0.00 N ATOM 1313 NH2 ARG A 82 13.863 4.849 -5.969 1.00 0.00 N ATOM 0 H ARG A 82 8.613 0.919 -4.212 1.00 0.00 H new ATOM 0 HA ARG A 82 7.977 3.685 -4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.036 2.759 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.284 1.981 -3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.393 4.842 -3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.382 4.520 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.636 4.286 -2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.165 2.639 -2.667 1.00 0.00 H new ATOM 0 HE ARG A 82 12.365 3.106 -5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.403 5.749 -2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.363 6.527 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.601 4.118 -6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.475 5.610 -6.266 1.00 0.00 H new ATOM 1327 N ALA A 83 10.338 2.699 -6.199 1.00 0.00 N ATOM 1328 CA ALA A 83 11.135 3.105 -7.333 1.00 0.00 C ATOM 1329 C ALA A 83 10.238 3.353 -8.534 1.00 0.00 C ATOM 1330 O ALA A 83 10.132 4.471 -9.034 1.00 0.00 O ATOM 1331 CB ALA A 83 12.181 2.048 -7.656 1.00 0.00 C ATOM 0 H ALA A 83 10.424 1.714 -5.948 1.00 0.00 H new ATOM 0 HA ALA A 83 11.653 4.031 -7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.772 2.371 -8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.835 1.909 -6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.686 1.106 -7.891 1.00 0.00 H new ATOM 1337 N GLN A 84 9.597 2.286 -8.987 1.00 0.00 N ATOM 1338 CA GLN A 84 8.697 2.352 -10.134 1.00 0.00 C ATOM 1339 C GLN A 84 7.230 2.455 -9.723 1.00 0.00 C ATOM 1340 O GLN A 84 6.780 1.762 -8.811 1.00 0.00 O ATOM 1341 CB GLN A 84 8.906 1.136 -11.039 1.00 0.00 C ATOM 1342 CG GLN A 84 9.221 1.499 -12.482 1.00 0.00 C ATOM 1343 CD GLN A 84 10.675 1.880 -12.684 1.00 0.00 C ATOM 1344 OE1 GLN A 84 10.981 2.950 -13.208 1.00 0.00 O ATOM 1345 NE2 GLN A 84 11.580 1.002 -12.269 1.00 0.00 N ATOM 0 H GLN A 84 9.683 1.357 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 84 8.942 3.263 -10.681 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.720 0.531 -10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.009 0.518 -11.016 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.978 0.654 -13.127 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.586 2.329 -12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.282 0.126 -11.840 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.574 1.203 -12.380 1.00 0.00 H new ATOM 1354 N SER A 85 6.479 3.293 -10.433 1.00 0.00 N ATOM 1355 CA SER A 85 5.050 3.450 -10.176 1.00 0.00 C ATOM 1356 C SER A 85 4.237 2.564 -11.125 1.00 0.00 C ATOM 1357 O SER A 85 3.032 2.756 -11.287 1.00 0.00 O ATOM 1358 CB SER A 85 4.627 4.909 -10.343 1.00 0.00 C ATOM 1359 OG SER A 85 5.682 5.694 -10.872 1.00 0.00 O ATOM 0 H SER A 85 6.836 3.874 -11.191 1.00 0.00 H new ATOM 0 HA SER A 85 4.856 3.145 -9.148 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.762 4.966 -11.004 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.318 5.313 -9.379 1.00 0.00 H new ATOM 0 HG SER A 85 5.382 6.622 -10.970 1.00 0.00 H new ATOM 1365 N LEU A 86 4.911 1.603 -11.762 1.00 0.00 N ATOM 1366 CA LEU A 86 4.269 0.692 -12.711 1.00 0.00 C ATOM 1367 C LEU A 86 2.919 0.198 -12.200 1.00 0.00 C ATOM 1368 O LEU A 86 1.872 0.542 -12.748 1.00 0.00 O ATOM 1369 CB LEU A 86 5.188 -0.502 -12.993 1.00 0.00 C ATOM 1370 CG LEU A 86 4.558 -1.646 -13.797 1.00 0.00 C ATOM 1371 CD1 LEU A 86 4.716 -1.404 -15.289 1.00 0.00 C ATOM 1372 CD2 LEU A 86 5.183 -2.977 -13.403 1.00 0.00 C ATOM 0 H LEU A 86 5.909 1.436 -11.636 1.00 0.00 H new ATOM 0 HA LEU A 86 4.092 1.246 -13.633 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.065 -0.143 -13.531 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.539 -0.901 -12.041 1.00 0.00 H new ATOM 0 HG LEU A 86 3.493 -1.682 -13.568 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.262 -2.227 -15.841 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.224 -0.470 -15.560 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.775 -1.341 -15.537 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.726 -3.779 -13.982 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.254 -2.950 -13.604 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.017 -3.156 -12.341 1.00 0.00 H new ATOM 1384 N SER A 87 2.952 -0.621 -11.158 1.00 0.00 N ATOM 1385 CA SER A 87 1.732 -1.175 -10.587 1.00 0.00 C ATOM 1386 C SER A 87 1.309 -0.408 -9.343 1.00 0.00 C ATOM 1387 O SER A 87 0.698 -0.972 -8.435 1.00 0.00 O ATOM 1388 CB SER A 87 1.925 -2.652 -10.242 1.00 0.00 C ATOM 1389 OG SER A 87 2.914 -2.819 -9.242 1.00 0.00 O ATOM 0 H SER A 87 3.809 -0.916 -10.691 1.00 0.00 H new ATOM 0 HA SER A 87 0.945 -1.081 -11.335 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.981 -3.074 -9.898 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.213 -3.203 -11.137 1.00 0.00 H new ATOM 0 HG SER A 87 2.535 -2.595 -8.366 1.00 0.00 H new ATOM 1395 N HIS A 88 1.632 0.878 -9.303 1.00 0.00 N ATOM 1396 CA HIS A 88 1.274 1.705 -8.164 1.00 0.00 C ATOM 1397 C HIS A 88 1.143 3.171 -8.568 1.00 0.00 C ATOM 1398 O HIS A 88 2.002 3.721 -9.257 1.00 0.00 O ATOM 1399 CB HIS A 88 2.305 1.539 -7.048 1.00 0.00 C ATOM 1400 CG HIS A 88 1.753 1.821 -5.690 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.229 0.844 -4.872 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.643 2.981 -5.005 1.00 0.00 C ATOM 1403 CE1 HIS A 88 0.822 1.393 -3.744 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.063 2.687 -3.800 1.00 0.00 N ATOM 0 H HIS A 88 2.138 1.366 -10.042 1.00 0.00 H new ATOM 0 HA HIS A 88 0.303 1.377 -7.793 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.694 0.521 -7.071 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.146 2.206 -7.237 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.166 -0.148 -5.102 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.955 3.958 -5.345 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.368 0.870 -2.915 1.00 0.00 H new ATOM 1413 N GLY A 89 0.047 3.787 -8.141 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.223 5.177 -8.465 1.00 0.00 C ATOM 1415 C GLY A 89 0.978 6.093 -8.307 1.00 0.00 C ATOM 1416 O GLY A 89 1.309 6.851 -9.219 1.00 0.00 O ATOM 0 H GLY A 89 -0.670 3.341 -7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.580 5.237 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.029 5.538 -7.826 1.00 0.00 H new ATOM 1420 N LEU A 90 1.615 6.047 -7.144 1.00 0.00 N ATOM 1421 CA LEU A 90 2.763 6.904 -6.874 1.00 0.00 C ATOM 1422 C LEU A 90 3.917 6.115 -6.266 1.00 0.00 C ATOM 1423 O LEU A 90 3.713 5.094 -5.612 1.00 0.00 O ATOM 1424 CB LEU A 90 2.347 8.036 -5.933 1.00 0.00 C ATOM 1425 CG LEU A 90 3.010 9.390 -6.200 1.00 0.00 C ATOM 1426 CD1 LEU A 90 1.989 10.403 -6.703 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.700 9.904 -4.944 1.00 0.00 C ATOM 0 H LEU A 90 1.358 5.428 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 90 3.108 7.321 -7.820 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.266 8.161 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.572 7.736 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 90 3.763 9.253 -6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.483 11.357 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.544 10.041 -7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.209 10.536 -5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.166 10.867 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.965 10.021 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.464 9.192 -4.631 1.00 0.00 H new ATOM 1439 N ARG A 91 5.132 6.600 -6.487 1.00 0.00 N ATOM 1440 CA ARG A 91 6.322 5.946 -5.961 1.00 0.00 C ATOM 1441 C ARG A 91 6.303 5.928 -4.434 1.00 0.00 C ATOM 1442 O ARG A 91 6.579 6.939 -3.787 1.00 0.00 O ATOM 1443 CB ARG A 91 7.576 6.663 -6.465 1.00 0.00 C ATOM 1444 CG ARG A 91 8.051 6.185 -7.828 1.00 0.00 C ATOM 1445 CD ARG A 91 9.202 7.034 -8.340 1.00 0.00 C ATOM 1446 NE ARG A 91 8.778 8.394 -8.665 1.00 0.00 N ATOM 1447 CZ ARG A 91 8.165 8.728 -9.799 1.00 0.00 C ATOM 1448 NH1 ARG A 91 7.898 7.805 -10.715 1.00 0.00 N ATOM 1449 NH2 ARG A 91 7.817 9.989 -10.017 1.00 0.00 N ATOM 0 H ARG A 91 5.319 7.445 -7.027 1.00 0.00 H new ATOM 0 HA ARG A 91 6.333 4.914 -6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.376 7.733 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.379 6.523 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.366 5.144 -7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.224 6.223 -8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.989 7.070 -7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.631 6.567 -9.226 1.00 0.00 H new ATOM 0 HE ARG A 91 8.962 9.130 -7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.163 6.833 -10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.428 8.067 -11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.019 10.702 -9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.347 10.246 -10.885 1.00 0.00 H new ATOM 1463 N LEU A 92 5.972 4.768 -3.864 1.00 0.00 N ATOM 1464 CA LEU A 92 5.911 4.602 -2.411 1.00 0.00 C ATOM 1465 C LEU A 92 7.115 5.236 -1.730 1.00 0.00 C ATOM 1466 O LEU A 92 8.208 4.675 -1.708 1.00 0.00 O ATOM 1467 CB LEU A 92 5.787 3.126 -2.072 1.00 0.00 C ATOM 1468 CG LEU A 92 4.523 2.495 -2.648 1.00 0.00 C ATOM 1469 CD1 LEU A 92 4.395 1.032 -2.252 1.00 0.00 C ATOM 1470 CD2 LEU A 92 3.299 3.278 -2.205 1.00 0.00 C ATOM 0 H LEU A 92 5.741 3.925 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 92 5.029 5.120 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.659 2.595 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.788 3.005 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 92 4.595 2.533 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.483 0.617 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.256 0.477 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.354 0.951 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.403 2.819 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.237 3.272 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.377 4.306 -2.558 1.00 0.00 H new ATOM 1482 N ALA A 93 6.897 6.434 -1.204 1.00 0.00 N ATOM 1483 CA ALA A 93 7.959 7.194 -0.545 1.00 0.00 C ATOM 1484 C ALA A 93 7.878 7.129 0.981 1.00 0.00 C ATOM 1485 O ALA A 93 8.654 6.417 1.620 1.00 0.00 O ATOM 1486 CB ALA A 93 7.924 8.642 -1.009 1.00 0.00 C ATOM 0 H ALA A 93 5.992 6.905 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 93 8.905 6.734 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.718 9.202 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.071 8.682 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.959 9.081 -0.757 1.00 0.00 H new ATOM 1492 N ALA A 94 6.953 7.889 1.563 1.00 0.00 N ATOM 1493 CA ALA A 94 6.799 7.928 3.015 1.00 0.00 C ATOM 1494 C ALA A 94 5.726 6.957 3.501 1.00 0.00 C ATOM 1495 O ALA A 94 5.067 6.294 2.703 1.00 0.00 O ATOM 1496 CB ALA A 94 6.471 9.343 3.464 1.00 0.00 C ATOM 0 H ALA A 94 6.301 8.485 1.053 1.00 0.00 H new ATOM 0 HA ALA A 94 7.745 7.616 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.358 9.364 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.278 10.014 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.542 9.667 2.996 1.00 0.00 H new ATOM 1502 N PRO A 95 5.545 6.855 4.832 1.00 0.00 N ATOM 1503 CA PRO A 95 4.561 5.968 5.437 1.00 0.00 C ATOM 1504 C PRO A 95 3.222 6.655 5.674 1.00 0.00 C ATOM 1505 O PRO A 95 3.123 7.880 5.622 1.00 0.00 O ATOM 1506 CB PRO A 95 5.221 5.621 6.767 1.00 0.00 C ATOM 1507 CG PRO A 95 5.982 6.853 7.144 1.00 0.00 C ATOM 1508 CD PRO A 95 6.298 7.593 5.861 1.00 0.00 C ATOM 0 HA PRO A 95 4.325 5.111 4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.479 5.367 7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.883 4.761 6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.393 7.479 7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.898 6.592 7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 95 5.985 8.636 5.914 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.368 7.591 5.652 1.00 0.00 H new ATOM 1516 N CYS A 96 2.195 5.856 5.942 1.00 0.00 N ATOM 1517 CA CYS A 96 0.863 6.388 6.197 1.00 0.00 C ATOM 1518 C CYS A 96 0.745 6.866 7.640 1.00 0.00 C ATOM 1519 O CYS A 96 0.697 6.061 8.569 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.197 5.325 5.908 1.00 0.00 C ATOM 1521 SG CYS A 96 -1.898 5.925 6.015 1.00 0.00 S ATOM 0 H CYS A 96 2.260 4.839 5.988 1.00 0.00 H new ATOM 0 HA CYS A 96 0.700 7.238 5.534 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -0.028 4.922 4.909 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.070 4.501 6.610 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.894 7.186 6.330 1.00 0.00 H new ATOM 1527 N ARG A 97 0.705 8.181 7.819 1.00 0.00 N ATOM 1528 CA ARG A 97 0.600 8.767 9.151 1.00 0.00 C ATOM 1529 C ARG A 97 -0.857 8.914 9.574 1.00 0.00 C ATOM 1530 O ARG A 97 -1.731 9.182 8.750 1.00 0.00 O ATOM 1531 CB ARG A 97 1.295 10.128 9.186 1.00 0.00 C ATOM 1532 CG ARG A 97 2.802 10.046 9.007 1.00 0.00 C ATOM 1533 CD ARG A 97 3.488 11.335 9.432 1.00 0.00 C ATOM 1534 NE ARG A 97 4.502 11.758 8.470 1.00 0.00 N ATOM 1535 CZ ARG A 97 5.026 12.981 8.434 1.00 0.00 C ATOM 1536 NH1 ARG A 97 4.637 13.904 9.305 1.00 0.00 N ATOM 1537 NH2 ARG A 97 5.942 13.283 7.523 1.00 0.00 N ATOM 0 H ARG A 97 0.744 8.861 7.060 1.00 0.00 H new ATOM 0 HA ARG A 97 1.093 8.095 9.854 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.878 10.760 8.402 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.076 10.614 10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.194 9.215 9.593 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.034 9.837 7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.743 12.123 9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.951 11.194 10.409 1.00 0.00 H new ATOM 0 HE ARG A 97 4.828 11.076 7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.933 13.678 10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.042 14.839 9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.244 12.578 6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.344 14.220 7.495 1.00 0.00 H new