USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=23 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 80 TYR OH : rot 130:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 66 ASN :FLIP amide:sc= 0.318 F(o=0.35,f=1.5) USER MOD Set 2.2: A 87 SER OG : rot -58:sc= 1.2 USER MOD Set 3.1: A 53 TYR OH : rot -39:sc= -2.48! USER MOD Set 3.2: A 88 HIS : no HE2:sc= -26.6! C(o=-29!,f=-29!) USER MOD Set 4.1: A 23 ASN :FLIP amide:sc= -6.84! C(o=-14!,f=-12!) USER MOD Set 4.2: A 96 CYS SG : rot -158:sc= -5.21! USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.138 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 19:sc= 0.0599 USER MOD Single : A 33 SER OG : rot 60:sc= -2.24 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 148:sc= -6.21! USER MOD Single : A 47 THR OG1 : rot 2:sc= 0.625 USER MOD Single : A 48 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.06) USER MOD Single : A 52 HIS : no HE2:sc= -13.8! C(o=-14!,f=-19!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -2.38 X(o=-2.4,f=-2.2) USER MOD Single : A 70 SER OG : rot 180:sc= -0.335 USER MOD Single : A 73 SER OG : rot 180:sc= 0.127 USER MOD Single : A 79 ASN :FLIP amide:sc=-0.00232 F(o=-0.56,f=-0.0023) USER MOD Single : A 81 HIS : no HE2:sc= -7.55! C(o=-7.5!,f=-13!) USER MOD Single : A 85 SER OG : rot 180:sc= -1 USER MOD ----------------------------------------------------------------- ATOM 29 N PRO A 3 6.057 1.484 4.887 1.00 0.00 N ATOM 30 CA PRO A 3 4.626 1.538 4.575 1.00 0.00 C ATOM 31 C PRO A 3 3.760 1.561 5.831 1.00 0.00 C ATOM 32 O PRO A 3 2.711 2.201 5.867 1.00 0.00 O ATOM 33 CB PRO A 3 4.414 0.205 3.856 1.00 0.00 C ATOM 34 CG PRO A 3 5.344 -0.731 4.552 1.00 0.00 C ATOM 35 CD PRO A 3 6.546 0.091 4.952 1.00 0.00 C ATOM 0 HA PRO A 3 4.356 2.430 4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.379 -0.130 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.646 0.283 2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.868 -1.175 5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.634 -1.551 3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.891 -0.166 5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.385 -0.071 4.275 1.00 0.00 H new ATOM 43 N TRP A 4 4.191 0.820 6.850 1.00 0.00 N ATOM 44 CA TRP A 4 3.445 0.711 8.096 1.00 0.00 C ATOM 45 C TRP A 4 2.261 -0.227 7.887 1.00 0.00 C ATOM 46 O TRP A 4 1.215 0.172 7.374 1.00 0.00 O ATOM 47 CB TRP A 4 2.973 2.083 8.591 1.00 0.00 C ATOM 48 CG TRP A 4 3.590 2.481 9.897 1.00 0.00 C ATOM 49 CD1 TRP A 4 3.071 2.288 11.146 1.00 0.00 C ATOM 50 CD2 TRP A 4 4.848 3.140 10.084 1.00 0.00 C ATOM 51 NE1 TRP A 4 3.926 2.789 12.095 1.00 0.00 N ATOM 52 CE2 TRP A 4 5.025 3.317 11.469 1.00 0.00 C ATOM 53 CE3 TRP A 4 5.841 3.596 9.213 1.00 0.00 C ATOM 54 CZ2 TRP A 4 6.156 3.932 12.003 1.00 0.00 C ATOM 55 CZ3 TRP A 4 6.962 4.207 9.744 1.00 0.00 C ATOM 56 CH2 TRP A 4 7.112 4.370 11.127 1.00 0.00 C ATOM 0 H TRP A 4 5.059 0.284 6.834 1.00 0.00 H new ATOM 0 HA TRP A 4 4.102 0.304 8.865 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.211 2.835 7.839 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.888 2.071 8.697 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.125 1.811 11.356 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.769 2.771 13.103 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.735 3.474 8.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.274 4.058 13.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.736 4.565 9.081 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.000 4.851 11.510 1.00 0.00 H new ATOM 67 N PHE A 5 2.451 -1.486 8.261 1.00 0.00 N ATOM 68 CA PHE A 5 1.417 -2.500 8.098 1.00 0.00 C ATOM 69 C PHE A 5 0.246 -2.257 9.040 1.00 0.00 C ATOM 70 O PHE A 5 0.410 -2.222 10.260 1.00 0.00 O ATOM 71 CB PHE A 5 2.002 -3.892 8.346 1.00 0.00 C ATOM 72 CG PHE A 5 2.503 -4.088 9.748 1.00 0.00 C ATOM 73 CD1 PHE A 5 3.791 -3.712 10.095 1.00 0.00 C ATOM 74 CD2 PHE A 5 1.687 -4.647 10.717 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.255 -3.890 11.385 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.146 -4.828 12.009 1.00 0.00 C ATOM 77 CZ PHE A 5 3.432 -4.449 12.342 1.00 0.00 C ATOM 0 H PHE A 5 3.315 -1.830 8.681 1.00 0.00 H new ATOM 0 HA PHE A 5 1.047 -2.438 7.075 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.240 -4.641 8.132 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.822 -4.063 7.648 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.439 -3.275 9.350 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.681 -4.945 10.461 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.260 -3.592 11.644 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.500 -5.265 12.756 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.793 -4.590 13.350 1.00 0.00 H new ATOM 87 N PHE A 6 -0.937 -2.106 8.462 1.00 0.00 N ATOM 88 CA PHE A 6 -2.149 -1.885 9.234 1.00 0.00 C ATOM 89 C PHE A 6 -3.211 -2.894 8.821 1.00 0.00 C ATOM 90 O PHE A 6 -4.058 -2.607 7.976 1.00 0.00 O ATOM 91 CB PHE A 6 -2.668 -0.465 9.022 1.00 0.00 C ATOM 92 CG PHE A 6 -1.763 0.601 9.569 1.00 0.00 C ATOM 93 CD1 PHE A 6 -1.231 0.490 10.844 1.00 0.00 C ATOM 94 CD2 PHE A 6 -1.449 1.716 8.810 1.00 0.00 C ATOM 95 CE1 PHE A 6 -0.400 1.472 11.351 1.00 0.00 C ATOM 96 CE2 PHE A 6 -0.620 2.702 9.311 1.00 0.00 C ATOM 97 CZ PHE A 6 -0.095 2.579 10.583 1.00 0.00 C ATOM 0 H PHE A 6 -1.082 -2.133 7.453 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.920 -2.014 10.292 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.809 -0.296 7.954 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.647 -0.373 9.491 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.468 -0.373 11.448 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.857 1.816 7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.010 1.374 12.345 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.383 3.567 8.709 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.553 3.348 10.977 1.00 0.00 H new ATOM 107 N GLY A 7 -3.158 -4.079 9.421 1.00 0.00 N ATOM 108 CA GLY A 7 -4.112 -5.114 9.097 1.00 0.00 C ATOM 109 C GLY A 7 -5.455 -4.894 9.751 1.00 0.00 C ATOM 110 O GLY A 7 -6.341 -5.743 9.654 1.00 0.00 O ATOM 0 H GLY A 7 -2.468 -4.338 10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.242 -5.157 8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.714 -6.080 9.409 1.00 0.00 H new ATOM 114 N CYS A 8 -5.615 -3.759 10.424 1.00 0.00 N ATOM 115 CA CYS A 8 -6.868 -3.466 11.088 1.00 0.00 C ATOM 116 C CYS A 8 -7.489 -2.163 10.586 1.00 0.00 C ATOM 117 O CYS A 8 -8.336 -1.576 11.260 1.00 0.00 O ATOM 118 CB CYS A 8 -6.666 -3.400 12.604 1.00 0.00 C ATOM 119 SG CYS A 8 -6.720 -5.009 13.426 1.00 0.00 S ATOM 0 H CYS A 8 -4.899 -3.039 10.520 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.558 -4.276 10.851 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.705 -2.930 12.812 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.434 -2.758 13.035 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.537 -4.850 14.703 1.00 0.00 H new ATOM 125 N ILE A 9 -7.077 -1.716 9.403 1.00 0.00 N ATOM 126 CA ILE A 9 -7.617 -0.489 8.829 1.00 0.00 C ATOM 127 C ILE A 9 -8.503 -0.796 7.628 1.00 0.00 C ATOM 128 O ILE A 9 -8.060 -1.411 6.658 1.00 0.00 O ATOM 129 CB ILE A 9 -6.500 0.488 8.400 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.644 -0.124 7.295 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.644 0.874 9.594 1.00 0.00 C ATOM 132 CD1 ILE A 9 -6.106 0.259 5.909 1.00 0.00 C ATOM 0 H ILE A 9 -6.376 -2.182 8.827 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.211 -0.013 9.609 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.965 1.392 8.006 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.609 0.192 7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.660 -1.210 7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.862 1.563 9.274 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.267 1.357 10.347 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.188 -0.020 10.019 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.457 -0.207 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.131 -0.081 5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.064 1.342 5.798 1.00 0.00 H new ATOM 144 N SER A 10 -9.756 -0.365 7.696 1.00 0.00 N ATOM 145 CA SER A 10 -10.698 -0.594 6.609 1.00 0.00 C ATOM 146 C SER A 10 -10.471 0.415 5.491 1.00 0.00 C ATOM 147 O SER A 10 -9.759 1.403 5.673 1.00 0.00 O ATOM 148 CB SER A 10 -12.137 -0.498 7.119 1.00 0.00 C ATOM 149 OG SER A 10 -13.064 -0.805 6.092 1.00 0.00 O ATOM 0 H SER A 10 -10.143 0.144 8.491 1.00 0.00 H new ATOM 0 HA SER A 10 -10.533 -1.597 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.276 -1.183 7.955 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.326 0.507 7.495 1.00 0.00 H new ATOM 0 HG SER A 10 -13.976 -0.738 6.444 1.00 0.00 H new ATOM 155 N ARG A 11 -11.078 0.168 4.336 1.00 0.00 N ATOM 156 CA ARG A 11 -10.932 1.067 3.197 1.00 0.00 C ATOM 157 C ARG A 11 -11.348 2.485 3.566 1.00 0.00 C ATOM 158 O ARG A 11 -10.916 3.453 2.945 1.00 0.00 O ATOM 159 CB ARG A 11 -11.758 0.569 2.009 1.00 0.00 C ATOM 160 CG ARG A 11 -11.129 0.875 0.660 1.00 0.00 C ATOM 161 CD ARG A 11 -11.389 -0.237 -0.343 1.00 0.00 C ATOM 162 NE ARG A 11 -10.934 0.119 -1.684 1.00 0.00 N ATOM 163 CZ ARG A 11 -10.762 -0.764 -2.667 1.00 0.00 C ATOM 164 NH1 ARG A 11 -11.003 -2.052 -2.460 1.00 0.00 N ATOM 165 NH2 ARG A 11 -10.346 -0.357 -3.858 1.00 0.00 N ATOM 0 H ARG A 11 -11.673 -0.643 4.164 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.880 1.080 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.897 -0.508 2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.748 1.023 2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.529 1.813 0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.055 1.012 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.882 -1.145 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.456 -0.460 -0.369 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.736 1.100 -1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.322 -2.371 -1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.870 -2.724 -3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.158 0.632 -4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.214 -1.033 -4.611 1.00 0.00 H new ATOM 179 N SER A 12 -12.184 2.593 4.584 1.00 0.00 N ATOM 180 CA SER A 12 -12.664 3.886 5.052 1.00 0.00 C ATOM 181 C SER A 12 -11.548 4.671 5.737 1.00 0.00 C ATOM 182 O SER A 12 -11.442 5.886 5.576 1.00 0.00 O ATOM 183 CB SER A 12 -13.837 3.699 6.015 1.00 0.00 C ATOM 184 OG SER A 12 -14.921 3.045 5.379 1.00 0.00 O ATOM 0 H SER A 12 -12.548 1.796 5.107 1.00 0.00 H new ATOM 0 HA SER A 12 -13.000 4.454 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.513 3.117 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.163 4.670 6.389 1.00 0.00 H new ATOM 0 HG SER A 12 -15.657 2.936 6.017 1.00 0.00 H new ATOM 190 N GLU A 13 -10.719 3.969 6.505 1.00 0.00 N ATOM 191 CA GLU A 13 -9.617 4.608 7.213 1.00 0.00 C ATOM 192 C GLU A 13 -8.504 5.002 6.257 1.00 0.00 C ATOM 193 O GLU A 13 -8.123 6.162 6.190 1.00 0.00 O ATOM 194 CB GLU A 13 -9.048 3.685 8.290 1.00 0.00 C ATOM 195 CG GLU A 13 -10.111 2.989 9.126 1.00 0.00 C ATOM 196 CD GLU A 13 -10.256 3.597 10.508 1.00 0.00 C ATOM 197 OE1 GLU A 13 -9.245 3.661 11.237 1.00 0.00 O ATOM 198 OE2 GLU A 13 -11.382 4.008 10.860 1.00 0.00 O ATOM 0 H GLU A 13 -10.790 2.962 6.652 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.017 5.506 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.421 2.930 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.403 4.266 8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.068 3.042 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.859 1.933 9.222 1.00 0.00 H new ATOM 205 N ALA A 14 -7.983 4.028 5.521 1.00 0.00 N ATOM 206 CA ALA A 14 -6.904 4.278 4.577 1.00 0.00 C ATOM 207 C ALA A 14 -7.227 5.462 3.676 1.00 0.00 C ATOM 208 O ALA A 14 -6.335 6.183 3.237 1.00 0.00 O ATOM 209 CB ALA A 14 -6.626 3.030 3.756 1.00 0.00 C ATOM 0 H ALA A 14 -8.292 3.057 5.561 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.006 4.529 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.817 3.229 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.338 2.215 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.524 2.749 3.205 1.00 0.00 H new ATOM 215 N VAL A 15 -8.509 5.668 3.413 1.00 0.00 N ATOM 216 CA VAL A 15 -8.931 6.781 2.569 1.00 0.00 C ATOM 217 C VAL A 15 -8.671 8.118 3.265 1.00 0.00 C ATOM 218 O VAL A 15 -8.052 9.014 2.695 1.00 0.00 O ATOM 219 CB VAL A 15 -10.423 6.680 2.183 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.911 7.969 1.535 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.654 5.499 1.253 1.00 0.00 C ATOM 0 H VAL A 15 -9.269 5.087 3.766 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.340 6.727 1.655 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.996 6.523 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.964 7.869 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.787 8.797 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.331 8.165 0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.711 5.443 0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.062 5.628 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.355 4.578 1.753 1.00 0.00 H new ATOM 231 N ARG A 16 -9.147 8.244 4.500 1.00 0.00 N ATOM 232 CA ARG A 16 -8.962 9.475 5.267 1.00 0.00 C ATOM 233 C ARG A 16 -7.597 9.501 5.953 1.00 0.00 C ATOM 234 O ARG A 16 -7.116 10.555 6.369 1.00 0.00 O ATOM 235 CB ARG A 16 -10.074 9.627 6.306 1.00 0.00 C ATOM 236 CG ARG A 16 -11.464 9.363 5.751 1.00 0.00 C ATOM 237 CD ARG A 16 -12.543 9.933 6.656 1.00 0.00 C ATOM 238 NE ARG A 16 -13.064 11.203 6.154 1.00 0.00 N ATOM 239 CZ ARG A 16 -13.734 12.078 6.901 1.00 0.00 C ATOM 240 NH1 ARG A 16 -13.966 11.824 8.184 1.00 0.00 N ATOM 241 NH2 ARG A 16 -14.172 13.209 6.366 1.00 0.00 N ATOM 0 H ARG A 16 -9.662 7.513 4.991 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.008 10.312 4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.885 8.941 7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.041 10.636 6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.550 9.804 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.613 8.289 5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.359 9.216 6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.137 10.078 7.657 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.905 11.433 5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.630 10.956 8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.480 12.497 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.996 13.409 5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.685 13.879 6.939 1.00 0.00 H new ATOM 255 N ARG A 17 -6.983 8.333 6.058 1.00 0.00 N ATOM 256 CA ARG A 17 -5.675 8.198 6.682 1.00 0.00 C ATOM 257 C ARG A 17 -4.583 8.647 5.715 1.00 0.00 C ATOM 258 O ARG A 17 -3.737 9.473 6.056 1.00 0.00 O ATOM 259 CB ARG A 17 -5.447 6.745 7.120 1.00 0.00 C ATOM 260 CG ARG A 17 -4.451 6.595 8.257 1.00 0.00 C ATOM 261 CD ARG A 17 -4.417 5.165 8.774 1.00 0.00 C ATOM 262 NE ARG A 17 -5.236 4.996 9.973 1.00 0.00 N ATOM 263 CZ ARG A 17 -4.837 5.330 11.197 1.00 0.00 C ATOM 264 NH1 ARG A 17 -3.635 5.858 11.392 1.00 0.00 N ATOM 265 NH2 ARG A 17 -5.644 5.136 12.232 1.00 0.00 N ATOM 0 H ARG A 17 -7.374 7.456 5.715 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.636 8.835 7.566 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.400 6.314 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.096 6.168 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.458 6.884 7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.717 7.272 9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.771 4.490 7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.387 4.884 8.996 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.169 4.598 9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.010 6.010 10.600 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.336 6.112 12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.569 4.731 12.088 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.339 5.392 13.171 1.00 0.00 H new ATOM 279 N LEU A 18 -4.625 8.108 4.501 1.00 0.00 N ATOM 280 CA LEU A 18 -3.659 8.462 3.468 1.00 0.00 C ATOM 281 C LEU A 18 -3.751 9.942 3.137 1.00 0.00 C ATOM 282 O LEU A 18 -2.744 10.626 2.960 1.00 0.00 O ATOM 283 CB LEU A 18 -3.915 7.634 2.211 1.00 0.00 C ATOM 284 CG LEU A 18 -3.226 6.275 2.186 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.723 6.442 2.326 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.761 5.382 3.290 1.00 0.00 C ATOM 0 H LEU A 18 -5.321 7.422 4.208 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.657 8.250 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.989 7.482 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.588 8.207 1.343 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.438 5.801 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.245 5.463 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.346 7.047 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.498 6.937 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.256 4.417 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.580 5.851 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.832 5.236 3.153 1.00 0.00 H new ATOM 298 N GLN A 19 -4.981 10.414 3.054 1.00 0.00 N ATOM 299 CA GLN A 19 -5.264 11.812 2.733 1.00 0.00 C ATOM 300 C GLN A 19 -4.958 12.746 3.905 1.00 0.00 C ATOM 301 O GLN A 19 -4.814 13.954 3.713 1.00 0.00 O ATOM 302 CB GLN A 19 -6.728 11.972 2.313 1.00 0.00 C ATOM 303 CG GLN A 19 -6.900 12.429 0.873 1.00 0.00 C ATOM 304 CD GLN A 19 -7.481 13.827 0.771 1.00 0.00 C ATOM 305 OE1 GLN A 19 -8.673 13.998 0.514 1.00 0.00 O ATOM 306 NE2 GLN A 19 -6.640 14.834 0.972 1.00 0.00 N ATOM 0 H GLN A 19 -5.814 9.846 3.206 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.611 12.092 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.242 11.020 2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.211 12.692 2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.934 12.403 0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.551 11.730 0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.660 14.646 1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.974 15.796 0.916 1.00 0.00 H new ATOM 315 N ALA A 20 -4.861 12.193 5.115 1.00 0.00 N ATOM 316 CA ALA A 20 -4.571 12.998 6.303 1.00 0.00 C ATOM 317 C ALA A 20 -3.427 13.976 6.036 1.00 0.00 C ATOM 318 O ALA A 20 -2.744 13.873 5.018 1.00 0.00 O ATOM 319 CB ALA A 20 -4.234 12.097 7.482 1.00 0.00 C ATOM 0 H ALA A 20 -4.978 11.196 5.298 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.462 13.577 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.021 12.709 8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.080 11.443 7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.360 11.493 7.240 1.00 0.00 H new ATOM 325 N GLU A 21 -3.217 14.926 6.946 1.00 0.00 N ATOM 326 CA GLU A 21 -2.147 15.906 6.766 1.00 0.00 C ATOM 327 C GLU A 21 -0.820 15.401 7.300 1.00 0.00 C ATOM 328 O GLU A 21 0.149 16.150 7.428 1.00 0.00 O ATOM 329 CB GLU A 21 -2.513 17.246 7.409 1.00 0.00 C ATOM 330 CG GLU A 21 -3.967 17.640 7.211 1.00 0.00 C ATOM 331 CD GLU A 21 -4.745 17.678 8.511 1.00 0.00 C ATOM 332 OE1 GLU A 21 -4.588 18.658 9.270 1.00 0.00 O ATOM 333 OE2 GLU A 21 -5.511 16.726 8.772 1.00 0.00 O ATOM 0 H GLU A 21 -3.763 15.038 7.801 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.032 16.059 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.301 17.197 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.874 18.025 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.012 18.620 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.441 16.934 6.529 1.00 0.00 H new ATOM 340 N GLY A 22 -0.785 14.117 7.566 1.00 0.00 N ATOM 341 CA GLY A 22 0.421 13.471 8.039 1.00 0.00 C ATOM 342 C GLY A 22 1.183 12.813 6.904 1.00 0.00 C ATOM 343 O GLY A 22 2.290 12.309 7.093 1.00 0.00 O ATOM 0 H GLY A 22 -1.585 13.492 7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.060 14.206 8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.164 12.722 8.788 1.00 0.00 H new ATOM 347 N ASN A 23 0.564 12.797 5.724 1.00 0.00 N ATOM 348 CA ASN A 23 1.152 12.175 4.546 1.00 0.00 C ATOM 349 C ASN A 23 1.448 13.190 3.458 1.00 0.00 C ATOM 350 O ASN A 23 0.566 13.926 3.016 1.00 0.00 O ATOM 351 CB ASN A 23 0.206 11.100 4.018 1.00 0.00 C ATOM 352 CG ASN A 23 0.077 9.933 4.979 1.00 0.00 C ATOM 353 OD1 ASN A 23 1.184 9.560 5.614 1.00 0.00 O flip ATOM 354 ND2 ASN A 23 -1.006 9.373 5.150 1.00 0.00 N flip ATOM 0 H ASN A 23 -0.353 13.213 5.562 1.00 0.00 H new ATOM 0 HA ASN A 23 2.102 11.726 4.837 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.778 11.537 3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.569 10.739 3.056 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.831 9.692 4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.078 8.590 5.800 1.00 0.00 H new ATOM 361 N ALA A 24 2.701 13.207 3.021 1.00 0.00 N ATOM 362 CA ALA A 24 3.125 14.115 1.973 1.00 0.00 C ATOM 363 C ALA A 24 3.335 13.360 0.672 1.00 0.00 C ATOM 364 O ALA A 24 4.456 13.247 0.175 1.00 0.00 O ATOM 365 CB ALA A 24 4.388 14.856 2.381 1.00 0.00 C ATOM 0 H ALA A 24 3.439 12.600 3.379 1.00 0.00 H new ATOM 0 HA ALA A 24 2.339 14.854 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.688 15.532 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.196 15.430 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.187 14.138 2.568 1.00 0.00 H new ATOM 371 N THR A 25 2.235 12.850 0.136 1.00 0.00 N ATOM 372 CA THR A 25 2.240 12.098 -1.108 1.00 0.00 C ATOM 373 C THR A 25 3.173 10.895 -1.043 1.00 0.00 C ATOM 374 O THR A 25 4.249 10.949 -0.449 1.00 0.00 O ATOM 375 CB THR A 25 2.597 13.010 -2.283 1.00 0.00 C ATOM 376 OG1 THR A 25 3.863 13.614 -2.091 1.00 0.00 O ATOM 377 CG2 THR A 25 1.587 14.116 -2.496 1.00 0.00 C ATOM 0 H THR A 25 1.310 12.948 0.555 1.00 0.00 H new ATOM 0 HA THR A 25 1.233 11.711 -1.264 1.00 0.00 H new ATOM 0 HB THR A 25 2.605 12.364 -3.161 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.369 13.108 -1.421 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.893 14.730 -3.343 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.608 13.681 -2.699 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.531 14.735 -1.600 1.00 0.00 H new ATOM 385 N GLY A 26 2.726 9.791 -1.639 1.00 0.00 N ATOM 386 CA GLY A 26 3.499 8.563 -1.623 1.00 0.00 C ATOM 387 C GLY A 26 3.200 7.745 -0.395 1.00 0.00 C ATOM 388 O GLY A 26 3.295 6.522 -0.428 1.00 0.00 O ATOM 0 H GLY A 26 1.837 9.727 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.276 7.978 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.563 8.800 -1.655 1.00 0.00 H new ATOM 392 N ALA A 27 2.814 8.423 0.689 1.00 0.00 N ATOM 393 CA ALA A 27 2.475 7.753 1.938 1.00 0.00 C ATOM 394 C ALA A 27 1.693 6.477 1.652 1.00 0.00 C ATOM 395 O ALA A 27 0.603 6.533 1.095 1.00 0.00 O ATOM 396 CB ALA A 27 1.675 8.693 2.822 1.00 0.00 C ATOM 0 H ALA A 27 2.730 9.439 0.722 1.00 0.00 H new ATOM 0 HA ALA A 27 3.391 7.479 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.423 8.189 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.268 9.582 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.759 8.984 2.308 1.00 0.00 H new ATOM 402 N PHE A 28 2.268 5.331 1.995 1.00 0.00 N ATOM 403 CA PHE A 28 1.632 4.057 1.729 1.00 0.00 C ATOM 404 C PHE A 28 1.484 3.256 3.009 1.00 0.00 C ATOM 405 O PHE A 28 2.121 3.550 4.018 1.00 0.00 O ATOM 406 CB PHE A 28 2.478 3.296 0.718 1.00 0.00 C ATOM 407 CG PHE A 28 3.941 3.262 1.068 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.734 4.388 0.934 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.522 2.099 1.524 1.00 0.00 C ATOM 410 CE1 PHE A 28 6.077 4.350 1.250 1.00 0.00 C ATOM 411 CE2 PHE A 28 5.868 2.053 1.842 1.00 0.00 C ATOM 412 CZ PHE A 28 6.645 3.182 1.704 1.00 0.00 C ATOM 0 H PHE A 28 3.174 5.263 2.458 1.00 0.00 H new ATOM 0 HA PHE A 28 0.633 4.222 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.107 2.274 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.357 3.754 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.296 5.309 0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.918 1.210 1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.682 5.238 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.309 1.133 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.696 3.150 1.951 1.00 0.00 H new ATOM 422 N LEU A 29 0.628 2.254 2.955 1.00 0.00 N ATOM 423 CA LEU A 29 0.365 1.398 4.100 1.00 0.00 C ATOM 424 C LEU A 29 -0.156 0.042 3.658 1.00 0.00 C ATOM 425 O LEU A 29 -0.963 -0.052 2.737 1.00 0.00 O ATOM 426 CB LEU A 29 -0.647 2.052 5.042 1.00 0.00 C ATOM 427 CG LEU A 29 -1.954 2.584 4.407 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.938 2.547 2.890 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.143 1.795 4.925 1.00 0.00 C ATOM 0 H LEU A 29 0.096 2.009 2.120 1.00 0.00 H new ATOM 0 HA LEU A 29 1.307 1.257 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.914 1.326 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.153 2.882 5.547 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.039 3.631 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.883 2.933 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.118 3.162 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.802 1.519 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.058 2.177 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.022 0.743 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.204 1.898 6.008 1.00 0.00 H new ATOM 441 N ILE A 30 0.280 -1.010 4.324 1.00 0.00 N ATOM 442 CA ILE A 30 -0.187 -2.338 3.963 1.00 0.00 C ATOM 443 C ILE A 30 -1.153 -2.880 4.997 1.00 0.00 C ATOM 444 O ILE A 30 -0.800 -3.090 6.155 1.00 0.00 O ATOM 445 CB ILE A 30 0.948 -3.354 3.743 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.294 -2.657 3.468 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.568 -4.279 2.594 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.532 -2.308 2.010 1.00 0.00 C ATOM 0 H ILE A 30 0.941 -0.977 5.100 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.698 -2.212 3.008 1.00 0.00 H new ATOM 0 HB ILE A 30 1.079 -3.937 4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.344 -1.744 4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.101 -3.304 3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.366 -5.003 2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.354 -4.805 2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.419 -3.692 1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.502 -1.821 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.517 -3.218 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.748 -1.634 1.665 1.00 0.00 H new ATOM 460 N ARG A 31 -2.379 -3.101 4.558 1.00 0.00 N ATOM 461 CA ARG A 31 -3.425 -3.613 5.422 1.00 0.00 C ATOM 462 C ARG A 31 -3.814 -5.017 4.999 1.00 0.00 C ATOM 463 O ARG A 31 -3.265 -5.558 4.042 1.00 0.00 O ATOM 464 CB ARG A 31 -4.645 -2.711 5.326 1.00 0.00 C ATOM 465 CG ARG A 31 -5.169 -2.614 3.906 1.00 0.00 C ATOM 466 CD ARG A 31 -5.057 -1.202 3.355 1.00 0.00 C ATOM 467 NE ARG A 31 -6.337 -0.704 2.853 1.00 0.00 N ATOM 468 CZ ARG A 31 -6.665 -0.654 1.563 1.00 0.00 C ATOM 469 NH1 ARG A 31 -5.811 -1.062 0.633 1.00 0.00 N ATOM 470 NH2 ARG A 31 -7.853 -0.188 1.202 1.00 0.00 N ATOM 0 H ARG A 31 -2.676 -2.931 3.597 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.056 -3.636 6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.431 -3.094 5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.389 -1.715 5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.612 -3.298 3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.211 -2.932 3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.691 -0.536 4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.321 -1.184 2.551 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.022 -0.374 3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.894 -1.418 0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.071 -1.020 -0.352 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.513 0.131 1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.107 -0.149 0.215 1.00 0.00 H new ATOM 484 N VAL A 32 -4.780 -5.597 5.693 1.00 0.00 N ATOM 485 CA VAL A 32 -5.232 -6.931 5.347 1.00 0.00 C ATOM 486 C VAL A 32 -6.404 -6.876 4.382 1.00 0.00 C ATOM 487 O VAL A 32 -7.399 -6.193 4.624 1.00 0.00 O ATOM 488 CB VAL A 32 -5.624 -7.747 6.595 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.435 -7.892 7.532 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.800 -7.101 7.313 1.00 0.00 C ATOM 0 H VAL A 32 -5.259 -5.172 6.487 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.394 -7.432 4.862 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.929 -8.742 6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.730 -8.471 8.407 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.624 -8.405 7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.097 -6.905 7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.060 -7.693 8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.527 -6.092 7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.656 -7.054 6.640 1.00 0.00 H new ATOM 500 N SER A 33 -6.265 -7.599 3.280 1.00 0.00 N ATOM 501 CA SER A 33 -7.290 -7.649 2.246 1.00 0.00 C ATOM 502 C SER A 33 -8.686 -7.817 2.835 1.00 0.00 C ATOM 503 O SER A 33 -9.069 -8.912 3.247 1.00 0.00 O ATOM 504 CB SER A 33 -6.999 -8.801 1.289 1.00 0.00 C ATOM 505 OG SER A 33 -6.090 -8.407 0.275 1.00 0.00 O ATOM 0 H SER A 33 -5.442 -8.166 3.077 1.00 0.00 H new ATOM 0 HA SER A 33 -7.266 -6.700 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.586 -9.643 1.844 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.929 -9.144 0.835 1.00 0.00 H new ATOM 0 HG SER A 33 -5.248 -8.119 0.685 1.00 0.00 H new ATOM 511 N GLU A 34 -9.451 -6.731 2.853 1.00 0.00 N ATOM 512 CA GLU A 34 -10.812 -6.773 3.370 1.00 0.00 C ATOM 513 C GLU A 34 -11.688 -7.648 2.479 1.00 0.00 C ATOM 514 O GLU A 34 -12.762 -8.094 2.885 1.00 0.00 O ATOM 515 CB GLU A 34 -11.396 -5.364 3.463 1.00 0.00 C ATOM 516 CG GLU A 34 -10.476 -4.367 4.149 1.00 0.00 C ATOM 517 CD GLU A 34 -9.965 -3.296 3.204 1.00 0.00 C ATOM 518 OE1 GLU A 34 -10.681 -2.969 2.234 1.00 0.00 O ATOM 519 OE2 GLU A 34 -8.849 -2.785 3.433 1.00 0.00 O ATOM 0 H GLU A 34 -9.153 -5.815 2.517 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.787 -7.203 4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.621 -5.006 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.341 -5.406 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.010 -3.894 4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.628 -4.899 4.581 1.00 0.00 H new ATOM 526 N LYS A 35 -11.211 -7.889 1.265 1.00 0.00 N ATOM 527 CA LYS A 35 -11.930 -8.713 0.300 1.00 0.00 C ATOM 528 C LYS A 35 -11.113 -9.959 -0.061 1.00 0.00 C ATOM 529 O LYS A 35 -11.527 -11.080 0.236 1.00 0.00 O ATOM 530 CB LYS A 35 -12.278 -7.909 -0.964 1.00 0.00 C ATOM 531 CG LYS A 35 -11.741 -6.482 -0.971 1.00 0.00 C ATOM 532 CD LYS A 35 -12.527 -5.580 -0.033 1.00 0.00 C ATOM 533 CE LYS A 35 -13.832 -5.119 -0.664 1.00 0.00 C ATOM 534 NZ LYS A 35 -13.794 -3.675 -1.026 1.00 0.00 N ATOM 0 H LYS A 35 -10.323 -7.523 0.923 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.864 -9.034 0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.886 -8.436 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.362 -7.877 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.692 -6.487 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.786 -6.081 -1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.739 -6.113 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.922 -4.712 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.033 -5.712 -1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.654 -5.298 0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.702 -3.400 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.627 -3.107 -0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.026 -3.508 -1.707 1.00 0.00 H new ATOM 548 N PRO A 36 -9.932 -9.790 -0.697 1.00 0.00 N ATOM 549 CA PRO A 36 -9.077 -10.922 -1.072 1.00 0.00 C ATOM 550 C PRO A 36 -8.905 -11.919 0.071 1.00 0.00 C ATOM 551 O PRO A 36 -9.240 -11.625 1.218 1.00 0.00 O ATOM 552 CB PRO A 36 -7.740 -10.258 -1.409 1.00 0.00 C ATOM 553 CG PRO A 36 -8.095 -8.882 -1.848 1.00 0.00 C ATOM 554 CD PRO A 36 -9.337 -8.497 -1.092 1.00 0.00 C ATOM 0 HA PRO A 36 -9.500 -11.500 -1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.079 -10.238 -0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.217 -10.801 -2.196 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.282 -8.187 -1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.271 -8.852 -2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.101 -7.884 -0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.019 -7.917 -1.714 1.00 0.00 H new ATOM 562 N SER A 37 -8.383 -13.100 -0.248 1.00 0.00 N ATOM 563 CA SER A 37 -8.172 -14.139 0.756 1.00 0.00 C ATOM 564 C SER A 37 -7.143 -13.686 1.801 1.00 0.00 C ATOM 565 O SER A 37 -7.328 -12.653 2.445 1.00 0.00 O ATOM 566 CB SER A 37 -7.736 -15.441 0.076 1.00 0.00 C ATOM 567 OG SER A 37 -8.713 -15.884 -0.851 1.00 0.00 O ATOM 0 H SER A 37 -8.099 -13.361 -1.192 1.00 0.00 H new ATOM 0 HA SER A 37 -9.111 -14.321 1.278 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.787 -15.287 -0.437 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.570 -16.211 0.830 1.00 0.00 H new ATOM 0 HG SER A 37 -8.411 -16.715 -1.273 1.00 0.00 H new ATOM 573 N ALA A 38 -6.061 -14.451 1.973 1.00 0.00 N ATOM 574 CA ALA A 38 -5.027 -14.103 2.941 1.00 0.00 C ATOM 575 C ALA A 38 -3.961 -13.219 2.306 1.00 0.00 C ATOM 576 O ALA A 38 -2.764 -13.486 2.421 1.00 0.00 O ATOM 577 CB ALA A 38 -4.399 -15.363 3.518 1.00 0.00 C ATOM 0 H ALA A 38 -5.882 -15.311 1.455 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.493 -13.541 3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.629 -15.088 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.166 -15.957 4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.951 -15.947 2.714 1.00 0.00 H new ATOM 583 N ASP A 39 -4.406 -12.166 1.632 1.00 0.00 N ATOM 584 CA ASP A 39 -3.501 -11.237 0.968 1.00 0.00 C ATOM 585 C ASP A 39 -3.399 -9.928 1.747 1.00 0.00 C ATOM 586 O ASP A 39 -3.835 -9.843 2.895 1.00 0.00 O ATOM 587 CB ASP A 39 -3.993 -10.964 -0.454 1.00 0.00 C ATOM 588 CG ASP A 39 -4.315 -12.241 -1.207 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.378 -12.861 -1.753 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.504 -12.621 -1.249 1.00 0.00 O ATOM 0 H ASP A 39 -5.394 -11.933 1.531 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.509 -11.688 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.882 -10.335 -0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.231 -10.406 -0.999 1.00 0.00 H new ATOM 595 N TYR A 40 -2.841 -8.902 1.109 1.00 0.00 N ATOM 596 CA TYR A 40 -2.706 -7.594 1.733 1.00 0.00 C ATOM 597 C TYR A 40 -2.973 -6.532 0.708 1.00 0.00 C ATOM 598 O TYR A 40 -2.523 -6.627 -0.423 1.00 0.00 O ATOM 599 CB TYR A 40 -1.305 -7.396 2.347 1.00 0.00 C ATOM 600 CG TYR A 40 -1.279 -7.589 3.850 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.555 -8.829 4.407 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.976 -6.538 4.710 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.531 -9.021 5.776 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.948 -6.722 6.079 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.225 -7.965 6.607 1.00 0.00 C ATOM 606 OH TYR A 40 -1.198 -8.152 7.970 1.00 0.00 O ATOM 0 H TYR A 40 -2.475 -8.954 0.158 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.430 -7.523 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.611 -8.098 1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.950 -6.393 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.793 -9.660 3.759 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.759 -5.562 4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.751 -9.993 6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.710 -5.896 6.733 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.964 -7.309 8.411 1.00 0.00 H new ATOM 616 N VAL A 41 -3.710 -5.522 1.107 1.00 0.00 N ATOM 617 CA VAL A 41 -4.027 -4.440 0.196 1.00 0.00 C ATOM 618 C VAL A 41 -3.226 -3.209 0.564 1.00 0.00 C ATOM 619 O VAL A 41 -3.107 -2.859 1.738 1.00 0.00 O ATOM 620 CB VAL A 41 -5.536 -4.134 0.158 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.235 -5.137 -0.752 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.144 -4.169 1.555 1.00 0.00 C ATOM 0 H VAL A 41 -4.099 -5.424 2.045 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.751 -4.755 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.676 -3.127 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.303 -4.921 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.824 -5.063 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.079 -6.146 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.210 -3.949 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.002 -5.159 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.655 -3.424 2.183 1.00 0.00 H new ATOM 632 N LEU A 42 -2.639 -2.577 -0.439 1.00 0.00 N ATOM 633 CA LEU A 42 -1.810 -1.415 -0.204 1.00 0.00 C ATOM 634 C LEU A 42 -2.451 -0.151 -0.727 1.00 0.00 C ATOM 635 O LEU A 42 -2.859 -0.084 -1.880 1.00 0.00 O ATOM 636 CB LEU A 42 -0.454 -1.589 -0.876 1.00 0.00 C ATOM 637 CG LEU A 42 0.507 -0.420 -0.681 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.736 -0.175 0.797 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.817 -0.699 -1.393 1.00 0.00 C ATOM 0 H LEU A 42 -2.723 -2.850 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.688 -1.323 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.014 -2.495 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.609 -1.740 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 42 0.068 0.480 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.423 0.661 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.214 0.059 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.163 -1.069 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.496 0.141 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.267 -1.604 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.630 -0.835 -2.458 1.00 0.00 H new ATOM 651 N SER A 43 -2.498 0.863 0.113 1.00 0.00 N ATOM 652 CA SER A 43 -3.049 2.135 -0.294 1.00 0.00 C ATOM 653 C SER A 43 -2.005 3.210 -0.190 1.00 0.00 C ATOM 654 O SER A 43 -0.980 3.043 0.464 1.00 0.00 O ATOM 655 CB SER A 43 -4.299 2.485 0.491 1.00 0.00 C ATOM 656 OG SER A 43 -4.135 3.668 1.249 1.00 0.00 O ATOM 0 H SER A 43 -2.163 0.830 1.076 1.00 0.00 H new ATOM 0 HA SER A 43 -3.352 2.056 -1.338 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.136 2.608 -0.196 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.552 1.660 1.157 1.00 0.00 H new ATOM 0 HG SER A 43 -4.995 4.134 1.319 1.00 0.00 H new ATOM 662 N VAL A 44 -2.250 4.293 -0.884 1.00 0.00 N ATOM 663 CA VAL A 44 -1.298 5.384 -0.902 1.00 0.00 C ATOM 664 C VAL A 44 -1.982 6.725 -1.103 1.00 0.00 C ATOM 665 O VAL A 44 -2.940 6.835 -1.868 1.00 0.00 O ATOM 666 CB VAL A 44 -0.273 5.174 -2.035 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.929 5.390 -3.393 1.00 0.00 C ATOM 668 CG2 VAL A 44 0.933 6.088 -1.857 1.00 0.00 C ATOM 0 H VAL A 44 -3.091 4.446 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.796 5.391 0.066 1.00 0.00 H new ATOM 0 HB VAL A 44 0.083 4.145 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.192 5.238 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.747 4.680 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.318 6.406 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.640 5.920 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.606 7.128 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.416 5.871 -0.904 1.00 0.00 H new ATOM 678 N ARG A 45 -1.454 7.758 -0.459 1.00 0.00 N ATOM 679 CA ARG A 45 -1.995 9.093 -0.635 1.00 0.00 C ATOM 680 C ARG A 45 -1.624 9.583 -2.024 1.00 0.00 C ATOM 681 O ARG A 45 -2.089 10.628 -2.478 1.00 0.00 O ATOM 682 CB ARG A 45 -1.450 10.058 0.418 1.00 0.00 C ATOM 683 CG ARG A 45 -2.145 11.411 0.415 1.00 0.00 C ATOM 684 CD ARG A 45 -1.312 12.469 1.122 1.00 0.00 C ATOM 685 NE ARG A 45 -2.131 13.572 1.618 1.00 0.00 N ATOM 686 CZ ARG A 45 -2.527 14.598 0.869 1.00 0.00 C ATOM 687 NH1 ARG A 45 -2.188 14.667 -0.412 1.00 0.00 N ATOM 688 NH2 ARG A 45 -3.267 15.562 1.404 1.00 0.00 N ATOM 0 H ARG A 45 -0.662 7.696 0.181 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.078 9.055 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.556 9.606 1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.384 10.205 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.333 11.722 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.115 11.324 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.777 12.012 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.560 12.857 0.435 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.416 13.555 2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.620 13.930 -0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.496 15.457 -0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.531 15.515 2.388 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.571 16.349 0.831 1.00 0.00 H new ATOM 702 N ASP A 46 -0.764 8.808 -2.694 1.00 0.00 N ATOM 703 CA ASP A 46 -0.303 9.147 -4.038 1.00 0.00 C ATOM 704 C ASP A 46 0.111 10.619 -4.104 1.00 0.00 C ATOM 705 O ASP A 46 1.117 11.004 -3.513 1.00 0.00 O ATOM 706 CB ASP A 46 -1.374 8.808 -5.090 1.00 0.00 C ATOM 707 CG ASP A 46 -2.783 9.149 -4.640 1.00 0.00 C ATOM 708 OD1 ASP A 46 -3.347 8.386 -3.829 1.00 0.00 O ATOM 709 OD2 ASP A 46 -3.320 10.179 -5.099 1.00 0.00 O ATOM 0 H ASP A 46 -0.375 7.941 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 46 0.575 8.543 -4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.153 9.348 -6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.321 7.745 -5.323 1.00 0.00 H new ATOM 714 N THR A 47 -0.662 11.438 -4.805 1.00 0.00 N ATOM 715 CA THR A 47 -0.359 12.861 -4.916 1.00 0.00 C ATOM 716 C THR A 47 -1.448 13.715 -4.268 1.00 0.00 C ATOM 717 O THR A 47 -1.289 14.925 -4.110 1.00 0.00 O ATOM 718 CB THR A 47 -0.190 13.257 -6.384 1.00 0.00 C ATOM 719 OG1 THR A 47 -0.163 14.666 -6.525 1.00 0.00 O ATOM 720 CG2 THR A 47 -1.292 12.727 -7.276 1.00 0.00 C ATOM 0 H THR A 47 -1.501 11.144 -5.304 1.00 0.00 H new ATOM 0 HA THR A 47 0.576 13.043 -4.386 1.00 0.00 H new ATOM 0 HB THR A 47 0.755 12.812 -6.696 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.220 15.084 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.112 13.043 -8.303 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.306 11.638 -7.229 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.252 13.117 -6.939 1.00 0.00 H new ATOM 728 N GLN A 48 -2.549 13.075 -3.890 1.00 0.00 N ATOM 729 CA GLN A 48 -3.664 13.767 -3.256 1.00 0.00 C ATOM 730 C GLN A 48 -4.638 12.765 -2.653 1.00 0.00 C ATOM 731 O GLN A 48 -4.524 12.395 -1.484 1.00 0.00 O ATOM 732 CB GLN A 48 -4.374 14.676 -4.264 1.00 0.00 C ATOM 733 CG GLN A 48 -3.748 16.056 -4.382 1.00 0.00 C ATOM 734 CD GLN A 48 -4.760 17.128 -4.737 1.00 0.00 C ATOM 735 OE1 GLN A 48 -4.578 17.876 -5.698 1.00 0.00 O ATOM 736 NE2 GLN A 48 -5.836 17.207 -3.961 1.00 0.00 N ATOM 0 H GLN A 48 -2.693 12.073 -4.013 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.273 14.390 -2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.365 14.197 -5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.419 14.783 -3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.267 16.314 -3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.967 16.033 -5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.946 16.566 -3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.552 17.908 -4.152 1.00 0.00 H new ATOM 745 N ALA A 49 -5.582 12.321 -3.462 1.00 0.00 N ATOM 746 CA ALA A 49 -6.572 11.346 -3.023 1.00 0.00 C ATOM 747 C ALA A 49 -5.889 10.054 -2.591 1.00 0.00 C ATOM 748 O ALA A 49 -4.665 10.001 -2.479 1.00 0.00 O ATOM 749 CB ALA A 49 -7.576 11.071 -4.134 1.00 0.00 C ATOM 0 H ALA A 49 -5.687 12.620 -4.432 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.108 11.757 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.308 10.341 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.085 11.997 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.054 10.678 -5.007 1.00 0.00 H new ATOM 755 N VAL A 50 -6.679 9.015 -2.350 1.00 0.00 N ATOM 756 CA VAL A 50 -6.125 7.733 -1.933 1.00 0.00 C ATOM 757 C VAL A 50 -6.305 6.670 -3.009 1.00 0.00 C ATOM 758 O VAL A 50 -7.390 6.507 -3.568 1.00 0.00 O ATOM 759 CB VAL A 50 -6.757 7.233 -0.620 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.156 5.892 -0.213 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.564 8.261 0.479 1.00 0.00 C ATOM 0 H VAL A 50 -7.695 9.034 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.061 7.900 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.826 7.092 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.615 5.555 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.342 5.157 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.082 6.004 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.015 7.896 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.499 8.429 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.040 9.198 0.189 1.00 0.00 H new ATOM 771 N ARG A 51 -5.229 5.945 -3.278 1.00 0.00 N ATOM 772 CA ARG A 51 -5.244 4.882 -4.269 1.00 0.00 C ATOM 773 C ARG A 51 -4.956 3.545 -3.599 1.00 0.00 C ATOM 774 O ARG A 51 -3.812 3.245 -3.257 1.00 0.00 O ATOM 775 CB ARG A 51 -4.208 5.163 -5.358 1.00 0.00 C ATOM 776 CG ARG A 51 -4.489 6.428 -6.151 1.00 0.00 C ATOM 777 CD ARG A 51 -3.601 6.520 -7.381 1.00 0.00 C ATOM 778 NE ARG A 51 -3.353 7.905 -7.773 1.00 0.00 N ATOM 779 CZ ARG A 51 -2.879 8.265 -8.963 1.00 0.00 C ATOM 780 NH1 ARG A 51 -2.604 7.346 -9.880 1.00 0.00 N ATOM 781 NH2 ARG A 51 -2.681 9.547 -9.237 1.00 0.00 N ATOM 0 H ARG A 51 -4.328 6.076 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.231 4.840 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.223 5.243 -4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.173 4.315 -6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.536 6.444 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.327 7.300 -5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.651 6.024 -7.181 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.070 5.987 -8.208 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.555 8.639 -7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.756 6.359 -9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.241 7.627 -10.791 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.892 10.257 -8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.318 9.823 -10.149 1.00 0.00 H new ATOM 795 N HIS A 52 -6.001 2.752 -3.398 1.00 0.00 N ATOM 796 CA HIS A 52 -5.859 1.456 -2.748 1.00 0.00 C ATOM 797 C HIS A 52 -5.457 0.390 -3.750 1.00 0.00 C ATOM 798 O HIS A 52 -5.695 0.532 -4.949 1.00 0.00 O ATOM 799 CB HIS A 52 -7.167 1.080 -2.058 1.00 0.00 C ATOM 800 CG HIS A 52 -7.611 2.151 -1.129 1.00 0.00 C ATOM 801 ND1 HIS A 52 -7.098 2.276 0.134 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.415 3.221 -1.320 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.544 3.382 0.680 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.355 3.978 -0.177 1.00 0.00 N ATOM 0 H HIS A 52 -6.955 2.983 -3.675 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.070 1.524 -1.999 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.938 0.902 -2.807 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.036 0.148 -1.507 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.466 1.612 0.581 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.995 3.439 -2.205 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.291 3.745 1.665 1.00 0.00 H new ATOM 813 N TYR A 53 -4.823 -0.665 -3.258 1.00 0.00 N ATOM 814 CA TYR A 53 -4.357 -1.734 -4.123 1.00 0.00 C ATOM 815 C TYR A 53 -4.450 -3.097 -3.447 1.00 0.00 C ATOM 816 O TYR A 53 -4.456 -3.202 -2.222 1.00 0.00 O ATOM 817 CB TYR A 53 -2.906 -1.461 -4.519 1.00 0.00 C ATOM 818 CG TYR A 53 -2.631 -0.017 -4.878 1.00 0.00 C ATOM 819 CD1 TYR A 53 -3.270 0.579 -5.957 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.727 0.749 -4.148 1.00 0.00 C ATOM 821 CE1 TYR A 53 -3.019 1.890 -6.302 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.474 2.064 -4.485 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.121 2.630 -5.564 1.00 0.00 C ATOM 824 OH TYR A 53 -1.869 3.936 -5.909 1.00 0.00 O ATOM 0 H TYR A 53 -4.621 -0.801 -2.268 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.998 -1.757 -5.004 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.254 -1.751 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.646 -2.092 -5.369 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.977 0.005 -6.537 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.216 0.308 -3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.524 2.335 -7.147 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.773 2.647 -3.906 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.835 4.016 -6.885 1.00 0.00 H new ATOM 834 N LYS A 54 -4.501 -4.139 -4.270 1.00 0.00 N ATOM 835 CA LYS A 54 -4.569 -5.509 -3.783 1.00 0.00 C ATOM 836 C LYS A 54 -3.225 -6.196 -3.987 1.00 0.00 C ATOM 837 O LYS A 54 -2.774 -6.359 -5.118 1.00 0.00 O ATOM 838 CB LYS A 54 -5.664 -6.284 -4.517 1.00 0.00 C ATOM 839 CG LYS A 54 -6.254 -7.423 -3.700 1.00 0.00 C ATOM 840 CD LYS A 54 -5.913 -8.779 -4.297 1.00 0.00 C ATOM 841 CE LYS A 54 -6.426 -8.910 -5.722 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.409 -9.517 -6.625 1.00 0.00 N ATOM 0 H LYS A 54 -4.496 -4.057 -5.287 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.808 -5.490 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.462 -5.595 -4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.254 -6.686 -5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.878 -7.370 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.337 -7.310 -3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.832 -8.921 -4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.345 -9.567 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.328 -9.522 -5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.705 -7.926 -6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.798 -9.589 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.557 -8.920 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.161 -10.466 -6.280 1.00 0.00 H new ATOM 856 N ILE A 55 -2.594 -6.597 -2.890 1.00 0.00 N ATOM 857 CA ILE A 55 -1.302 -7.265 -2.946 1.00 0.00 C ATOM 858 C ILE A 55 -1.495 -8.754 -2.692 1.00 0.00 C ATOM 859 O ILE A 55 -1.603 -9.187 -1.547 1.00 0.00 O ATOM 860 CB ILE A 55 -0.321 -6.687 -1.897 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.616 -5.210 -1.601 1.00 0.00 C ATOM 862 CG2 ILE A 55 1.120 -6.846 -2.350 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.219 -4.801 -0.204 1.00 0.00 C ATOM 0 H ILE A 55 -2.960 -6.470 -1.946 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.875 -7.102 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.465 -7.255 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.085 -4.587 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.681 -5.022 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.787 -6.431 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.343 -7.904 -2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.266 -6.317 -3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.452 -3.747 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.769 -5.401 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.851 -4.959 -0.069 1.00 0.00 H new ATOM 875 N TRP A 56 -1.569 -9.526 -3.770 1.00 0.00 N ATOM 876 CA TRP A 56 -1.792 -10.964 -3.666 1.00 0.00 C ATOM 877 C TRP A 56 -0.490 -11.726 -3.443 1.00 0.00 C ATOM 878 O TRP A 56 0.545 -11.402 -4.026 1.00 0.00 O ATOM 879 CB TRP A 56 -2.494 -11.469 -4.930 1.00 0.00 C ATOM 880 CG TRP A 56 -3.111 -12.825 -4.776 1.00 0.00 C ATOM 881 CD1 TRP A 56 -2.509 -14.030 -4.998 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.456 -13.117 -4.376 1.00 0.00 C ATOM 883 NE1 TRP A 56 -3.393 -15.052 -4.755 1.00 0.00 N ATOM 884 CE2 TRP A 56 -4.595 -14.519 -4.372 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.554 -12.331 -4.017 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -5.788 -15.148 -4.025 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.737 -12.958 -3.673 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.846 -14.354 -3.678 1.00 0.00 C ATOM 0 H TRP A 56 -1.478 -9.181 -4.726 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.426 -11.145 -2.798 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.269 -10.757 -5.213 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.774 -11.498 -5.748 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -1.486 -14.160 -5.318 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -3.188 -16.047 -4.845 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.480 -11.254 -4.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.875 -16.225 -4.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.593 -12.360 -3.395 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -7.784 -14.813 -3.402 1.00 0.00 H new ATOM 899 N ARG A 57 -0.557 -12.746 -2.590 1.00 0.00 N ATOM 900 CA ARG A 57 0.604 -13.569 -2.278 1.00 0.00 C ATOM 901 C ARG A 57 0.713 -14.739 -3.250 1.00 0.00 C ATOM 902 O ARG A 57 -0.280 -15.166 -3.835 1.00 0.00 O ATOM 903 CB ARG A 57 0.511 -14.089 -0.842 1.00 0.00 C ATOM 904 CG ARG A 57 1.714 -14.912 -0.409 1.00 0.00 C ATOM 905 CD ARG A 57 1.486 -15.559 0.948 1.00 0.00 C ATOM 906 NE ARG A 57 2.736 -15.988 1.568 1.00 0.00 N ATOM 907 CZ ARG A 57 2.853 -16.311 2.855 1.00 0.00 C ATOM 908 NH1 ARG A 57 1.798 -16.254 3.657 1.00 0.00 N ATOM 909 NH2 ARG A 57 4.027 -16.692 3.339 1.00 0.00 N ATOM 0 H ARG A 57 -1.409 -13.021 -2.101 1.00 0.00 H new ATOM 0 HA ARG A 57 1.498 -12.953 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.399 -13.242 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.388 -14.697 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.915 -15.684 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.596 -14.274 -0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.979 -14.853 1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.825 -16.418 0.833 1.00 0.00 H new ATOM 0 HE ARG A 57 3.569 -16.044 0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.893 -15.962 3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.892 -16.502 4.642 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.841 -16.738 2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.116 -16.939 4.325 1.00 0.00 H new ATOM 923 N ARG A 58 1.926 -15.252 -3.419 1.00 0.00 N ATOM 924 CA ARG A 58 2.163 -16.369 -4.327 1.00 0.00 C ATOM 925 C ARG A 58 2.082 -17.710 -3.598 1.00 0.00 C ATOM 926 O ARG A 58 2.816 -18.644 -3.919 1.00 0.00 O ATOM 927 CB ARG A 58 3.531 -16.218 -4.989 1.00 0.00 C ATOM 928 CG ARG A 58 3.498 -15.405 -6.273 1.00 0.00 C ATOM 929 CD ARG A 58 4.611 -15.817 -7.223 1.00 0.00 C ATOM 930 NE ARG A 58 4.265 -15.552 -8.617 1.00 0.00 N ATOM 931 CZ ARG A 58 4.900 -16.092 -9.654 1.00 0.00 C ATOM 932 NH1 ARG A 58 5.914 -16.926 -9.459 1.00 0.00 N ATOM 933 NH2 ARG A 58 4.521 -15.797 -10.889 1.00 0.00 N ATOM 0 H ARG A 58 2.760 -14.913 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 58 1.384 -16.354 -5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.216 -15.744 -4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.932 -17.208 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.533 -15.536 -6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.594 -14.345 -6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.524 -15.279 -6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.821 -16.879 -7.097 1.00 0.00 H new ATOM 0 HE ARG A 58 3.491 -14.915 -8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.210 -17.156 -8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.397 -17.337 -10.258 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.743 -15.156 -11.044 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.008 -16.211 -11.684 1.00 0.00 H new ATOM 947 N ALA A 59 1.184 -17.800 -2.621 1.00 0.00 N ATOM 948 CA ALA A 59 1.005 -19.029 -1.853 1.00 0.00 C ATOM 949 C ALA A 59 2.345 -19.602 -1.394 1.00 0.00 C ATOM 950 O ALA A 59 2.716 -20.718 -1.761 1.00 0.00 O ATOM 951 CB ALA A 59 0.245 -20.058 -2.677 1.00 0.00 C ATOM 0 H ALA A 59 0.568 -17.036 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 59 0.425 -18.786 -0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.118 -20.970 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.734 -19.659 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.805 -20.283 -3.584 1.00 0.00 H new ATOM 957 N GLY A 60 3.068 -18.831 -0.589 1.00 0.00 N ATOM 958 CA GLY A 60 4.356 -19.277 -0.095 1.00 0.00 C ATOM 959 C GLY A 60 5.248 -18.124 0.322 1.00 0.00 C ATOM 960 O GLY A 60 5.805 -18.127 1.420 1.00 0.00 O ATOM 0 H GLY A 60 2.784 -17.905 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.205 -19.942 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.857 -19.858 -0.869 1.00 0.00 H new ATOM 964 N GLY A 61 5.384 -17.137 -0.555 1.00 0.00 N ATOM 965 CA GLY A 61 6.215 -15.986 -0.253 1.00 0.00 C ATOM 966 C GLY A 61 6.530 -15.158 -1.482 1.00 0.00 C ATOM 967 O GLY A 61 7.610 -15.283 -2.062 1.00 0.00 O ATOM 0 H GLY A 61 4.934 -17.113 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.710 -15.360 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.146 -16.324 0.202 1.00 0.00 H new ATOM 971 N ARG A 62 5.590 -14.306 -1.879 1.00 0.00 N ATOM 972 CA ARG A 62 5.774 -13.448 -3.045 1.00 0.00 C ATOM 973 C ARG A 62 4.526 -12.615 -3.303 1.00 0.00 C ATOM 974 O ARG A 62 3.496 -13.132 -3.736 1.00 0.00 O ATOM 975 CB ARG A 62 6.123 -14.279 -4.282 1.00 0.00 C ATOM 976 CG ARG A 62 7.355 -13.781 -5.020 1.00 0.00 C ATOM 977 CD ARG A 62 8.241 -14.930 -5.472 1.00 0.00 C ATOM 978 NE ARG A 62 9.262 -14.494 -6.420 1.00 0.00 N ATOM 979 CZ ARG A 62 10.316 -13.753 -6.087 1.00 0.00 C ATOM 980 NH1 ARG A 62 10.495 -13.367 -4.829 1.00 0.00 N ATOM 981 NH2 ARG A 62 11.196 -13.398 -7.013 1.00 0.00 N ATOM 0 H ARG A 62 4.692 -14.191 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 62 6.604 -12.773 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.283 -15.314 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.273 -14.274 -4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.048 -13.195 -5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.924 -13.116 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.722 -15.380 -4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.625 -15.703 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 62 9.162 -14.774 -7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.823 -13.638 -4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.305 -12.799 -4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.065 -13.693 -7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.004 -12.830 -6.758 1.00 0.00 H new ATOM 995 N LEU A 63 4.633 -11.321 -3.033 1.00 0.00 N ATOM 996 CA LEU A 63 3.523 -10.402 -3.231 1.00 0.00 C ATOM 997 C LEU A 63 3.541 -9.831 -4.636 1.00 0.00 C ATOM 998 O LEU A 63 4.603 -9.616 -5.221 1.00 0.00 O ATOM 999 CB LEU A 63 3.578 -9.266 -2.211 1.00 0.00 C ATOM 1000 CG LEU A 63 3.069 -9.636 -0.819 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.588 -9.973 -0.871 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.866 -10.805 -0.260 1.00 0.00 C ATOM 0 H LEU A 63 5.482 -10.884 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 63 2.597 -10.960 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.608 -8.921 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.991 -8.428 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 63 3.203 -8.780 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.239 -10.235 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.031 -9.110 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.430 -10.817 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.493 -11.058 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.759 -11.667 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.918 -10.529 -0.192 1.00 0.00 H new ATOM 1014 N HIS A 64 2.358 -9.588 -5.173 1.00 0.00 N ATOM 1015 CA HIS A 64 2.228 -9.041 -6.507 1.00 0.00 C ATOM 1016 C HIS A 64 0.898 -8.317 -6.653 1.00 0.00 C ATOM 1017 O HIS A 64 -0.151 -8.946 -6.791 1.00 0.00 O ATOM 1018 CB HIS A 64 2.356 -10.155 -7.546 1.00 0.00 C ATOM 1019 CG HIS A 64 1.376 -11.272 -7.363 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.264 -11.436 -8.159 1.00 0.00 N ATOM 1021 CD2 HIS A 64 1.356 -12.295 -6.476 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.398 -12.511 -7.771 1.00 0.00 C ATOM 1023 NE2 HIS A 64 0.244 -13.052 -6.752 1.00 0.00 N ATOM 0 H HIS A 64 1.471 -9.763 -4.701 1.00 0.00 H new ATOM 0 HA HIS A 64 3.029 -8.320 -6.674 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.224 -9.728 -8.540 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.367 -10.561 -7.506 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -0.006 -10.823 -8.928 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.080 -12.481 -5.696 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.310 -12.884 -8.213 1.00 0.00 H new ATOM 1032 N LEU A 65 0.944 -6.992 -6.607 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.267 -6.192 -6.723 1.00 0.00 C ATOM 1034 C LEU A 65 -0.892 -6.351 -8.102 1.00 0.00 C ATOM 1035 O LEU A 65 -2.090 -6.134 -8.285 1.00 0.00 O ATOM 1036 CB LEU A 65 0.033 -4.718 -6.447 1.00 0.00 C ATOM 1037 CG LEU A 65 0.403 -4.400 -5.000 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.834 -4.822 -4.718 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.215 -2.917 -4.713 1.00 0.00 C ATOM 0 H LEU A 65 1.801 -6.452 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.979 -6.549 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.850 -4.401 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.840 -4.126 -6.723 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.260 -4.961 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.085 -4.590 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.937 -5.894 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.510 -4.285 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.484 -2.710 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.853 -2.334 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.827 -2.643 -4.879 1.00 0.00 H new ATOM 1051 N ASN A 66 -0.069 -6.737 -9.063 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.521 -6.938 -10.434 1.00 0.00 C ATOM 1053 C ASN A 66 0.310 -8.015 -11.124 1.00 0.00 C ATOM 1054 O ASN A 66 1.206 -8.604 -10.518 1.00 0.00 O ATOM 1055 CB ASN A 66 -0.438 -5.626 -11.219 1.00 0.00 C ATOM 1056 CG ASN A 66 -1.791 -4.959 -11.372 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -2.002 -4.304 -12.508 1.00 0.00 O flip ATOM 1058 ND2 ASN A 66 -2.636 -5.031 -10.480 1.00 0.00 N flip ATOM 0 H ASN A 66 0.924 -6.919 -8.919 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.560 -7.268 -10.406 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.245 -4.945 -10.712 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.018 -5.822 -12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.431 -5.545 -9.623 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.542 -4.577 -10.597 1.00 0.00 H new ATOM 1065 N GLU A 67 0.009 -8.269 -12.392 1.00 0.00 N ATOM 1066 CA GLU A 67 0.729 -9.278 -13.162 1.00 0.00 C ATOM 1067 C GLU A 67 2.071 -8.749 -13.668 1.00 0.00 C ATOM 1068 O GLU A 67 2.816 -9.468 -14.336 1.00 0.00 O ATOM 1069 CB GLU A 67 -0.122 -9.747 -14.345 1.00 0.00 C ATOM 1070 CG GLU A 67 -1.491 -10.268 -13.941 1.00 0.00 C ATOM 1071 CD GLU A 67 -2.609 -9.309 -14.298 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -2.562 -8.729 -15.403 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -3.531 -9.138 -13.473 1.00 0.00 O ATOM 0 H GLU A 67 -0.729 -7.791 -12.909 1.00 0.00 H new ATOM 0 HA GLU A 67 0.926 -10.120 -12.499 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.249 -8.918 -15.042 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.414 -10.532 -14.878 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.670 -11.226 -14.429 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.503 -10.451 -12.866 1.00 0.00 H new ATOM 1080 N ALA A 68 2.380 -7.492 -13.353 1.00 0.00 N ATOM 1081 CA ALA A 68 3.633 -6.884 -13.786 1.00 0.00 C ATOM 1082 C ALA A 68 4.571 -6.620 -12.606 1.00 0.00 C ATOM 1083 O ALA A 68 5.675 -6.109 -12.788 1.00 0.00 O ATOM 1084 CB ALA A 68 3.355 -5.593 -14.540 1.00 0.00 C ATOM 0 H ALA A 68 1.781 -6.878 -12.801 1.00 0.00 H new ATOM 0 HA ALA A 68 4.132 -7.588 -14.452 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.297 -5.148 -14.859 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.741 -5.808 -15.415 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.827 -4.897 -13.888 1.00 0.00 H new ATOM 1090 N VAL A 69 4.128 -6.969 -11.400 1.00 0.00 N ATOM 1091 CA VAL A 69 4.937 -6.764 -10.203 1.00 0.00 C ATOM 1092 C VAL A 69 4.941 -8.013 -9.327 1.00 0.00 C ATOM 1093 O VAL A 69 3.906 -8.645 -9.137 1.00 0.00 O ATOM 1094 CB VAL A 69 4.422 -5.567 -9.378 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.371 -4.313 -10.234 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.050 -5.863 -8.789 1.00 0.00 C ATOM 0 H VAL A 69 3.217 -7.393 -11.227 1.00 0.00 H new ATOM 0 HA VAL A 69 5.954 -6.554 -10.535 1.00 0.00 H new ATOM 0 HB VAL A 69 5.117 -5.399 -8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.005 -3.479 -9.636 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.370 -4.084 -10.604 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.700 -4.476 -11.078 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.709 -5.004 -8.212 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.344 -6.063 -9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.114 -6.735 -8.138 1.00 0.00 H new ATOM 1106 N SER A 70 6.107 -8.365 -8.794 1.00 0.00 N ATOM 1107 CA SER A 70 6.226 -9.541 -7.936 1.00 0.00 C ATOM 1108 C SER A 70 7.419 -9.414 -6.995 1.00 0.00 C ATOM 1109 O SER A 70 8.531 -9.109 -7.426 1.00 0.00 O ATOM 1110 CB SER A 70 6.364 -10.807 -8.785 1.00 0.00 C ATOM 1111 OG SER A 70 5.896 -10.591 -10.105 1.00 0.00 O ATOM 0 H SER A 70 6.979 -7.856 -8.939 1.00 0.00 H new ATOM 0 HA SER A 70 5.320 -9.611 -7.335 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.408 -11.118 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.802 -11.620 -8.325 1.00 0.00 H new ATOM 0 HG SER A 70 5.997 -11.414 -10.627 1.00 0.00 H new ATOM 1117 N PHE A 71 7.183 -9.651 -5.707 1.00 0.00 N ATOM 1118 CA PHE A 71 8.251 -9.564 -4.711 1.00 0.00 C ATOM 1119 C PHE A 71 7.951 -10.420 -3.487 1.00 0.00 C ATOM 1120 O PHE A 71 6.924 -10.261 -2.831 1.00 0.00 O ATOM 1121 CB PHE A 71 8.491 -8.108 -4.306 1.00 0.00 C ATOM 1122 CG PHE A 71 9.908 -7.660 -4.536 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.969 -8.462 -4.150 1.00 0.00 C ATOM 1124 CD2 PHE A 71 10.180 -6.443 -5.141 1.00 0.00 C ATOM 1125 CE1 PHE A 71 12.275 -8.061 -4.360 1.00 0.00 C ATOM 1126 CE2 PHE A 71 11.486 -6.036 -5.354 1.00 0.00 C ATOM 1127 CZ PHE A 71 12.533 -6.846 -4.962 1.00 0.00 C ATOM 0 H PHE A 71 6.270 -9.903 -5.329 1.00 0.00 H new ATOM 0 HA PHE A 71 9.160 -9.954 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.816 -7.464 -4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.243 -7.984 -3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.773 -9.414 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.365 -5.806 -5.449 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.092 -8.697 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.686 -5.086 -5.826 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.552 -6.529 -5.126 1.00 0.00 H new ATOM 1137 N LEU A 72 8.886 -11.325 -3.207 1.00 0.00 N ATOM 1138 CA LEU A 72 8.825 -12.259 -2.077 1.00 0.00 C ATOM 1139 C LEU A 72 7.888 -11.809 -0.953 1.00 0.00 C ATOM 1140 O LEU A 72 7.110 -12.609 -0.432 1.00 0.00 O ATOM 1141 CB LEU A 72 10.230 -12.431 -1.513 1.00 0.00 C ATOM 1142 CG LEU A 72 11.008 -11.122 -1.373 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.790 -10.520 0.010 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.488 -11.345 -1.635 1.00 0.00 C ATOM 0 H LEU A 72 9.729 -11.435 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 72 8.422 -13.196 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.162 -12.908 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.790 -13.107 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 72 10.635 -10.419 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.350 -9.589 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.729 -10.319 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.135 -11.221 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.022 -10.401 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.880 -12.066 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.625 -11.729 -2.646 1.00 0.00 H new ATOM 1156 N SER A 73 7.976 -10.541 -0.563 1.00 0.00 N ATOM 1157 CA SER A 73 7.145 -10.027 0.519 1.00 0.00 C ATOM 1158 C SER A 73 6.754 -8.570 0.295 1.00 0.00 C ATOM 1159 O SER A 73 7.007 -8.001 -0.765 1.00 0.00 O ATOM 1160 CB SER A 73 7.877 -10.164 1.855 1.00 0.00 C ATOM 1161 OG SER A 73 6.962 -10.235 2.934 1.00 0.00 O ATOM 0 H SER A 73 8.609 -9.856 -0.976 1.00 0.00 H new ATOM 0 HA SER A 73 6.230 -10.620 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.499 -11.059 1.842 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.545 -9.314 1.996 1.00 0.00 H new ATOM 0 HG SER A 73 7.455 -10.324 3.776 1.00 0.00 H new ATOM 1167 N LEU A 74 6.127 -7.980 1.310 1.00 0.00 N ATOM 1168 CA LEU A 74 5.685 -6.593 1.243 1.00 0.00 C ATOM 1169 C LEU A 74 6.860 -5.622 1.242 1.00 0.00 C ATOM 1170 O LEU A 74 7.046 -4.874 0.285 1.00 0.00 O ATOM 1171 CB LEU A 74 4.772 -6.271 2.406 1.00 0.00 C ATOM 1172 CG LEU A 74 3.323 -6.655 2.173 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.496 -6.266 3.375 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.804 -5.993 0.899 1.00 0.00 C ATOM 0 H LEU A 74 5.914 -8.445 2.192 1.00 0.00 H new ATOM 0 HA LEU A 74 5.142 -6.475 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.136 -6.786 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.826 -5.202 2.613 1.00 0.00 H new ATOM 0 HG LEU A 74 3.246 -7.734 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.455 -6.543 3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.870 -6.785 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.564 -5.189 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.763 -6.275 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.876 -4.910 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.402 -6.321 0.049 1.00 0.00 H new ATOM 1186 N PRO A 75 7.675 -5.613 2.320 1.00 0.00 N ATOM 1187 CA PRO A 75 8.831 -4.726 2.427 1.00 0.00 C ATOM 1188 C PRO A 75 9.596 -4.657 1.115 1.00 0.00 C ATOM 1189 O PRO A 75 10.097 -3.602 0.723 1.00 0.00 O ATOM 1190 CB PRO A 75 9.691 -5.364 3.532 1.00 0.00 C ATOM 1191 CG PRO A 75 8.970 -6.607 3.958 1.00 0.00 C ATOM 1192 CD PRO A 75 7.544 -6.456 3.512 1.00 0.00 C ATOM 0 HA PRO A 75 8.546 -3.699 2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.688 -5.600 3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.817 -4.680 4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.424 -7.490 3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.025 -6.735 5.039 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.087 -7.418 3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.927 -5.985 4.277 1.00 0.00 H new ATOM 1200 N GLU A 76 9.655 -5.790 0.428 1.00 0.00 N ATOM 1201 CA GLU A 76 10.327 -5.863 -0.856 1.00 0.00 C ATOM 1202 C GLU A 76 9.353 -5.505 -1.968 1.00 0.00 C ATOM 1203 O GLU A 76 9.736 -4.907 -2.972 1.00 0.00 O ATOM 1204 CB GLU A 76 10.904 -7.260 -1.089 1.00 0.00 C ATOM 1205 CG GLU A 76 11.833 -7.728 0.020 1.00 0.00 C ATOM 1206 CD GLU A 76 12.873 -6.691 0.394 1.00 0.00 C ATOM 1207 OE1 GLU A 76 13.867 -6.551 -0.351 1.00 0.00 O ATOM 1208 OE2 GLU A 76 12.694 -6.017 1.430 1.00 0.00 O ATOM 0 H GLU A 76 9.245 -6.670 0.741 1.00 0.00 H new ATOM 0 HA GLU A 76 11.152 -5.150 -0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.084 -7.971 -1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.448 -7.266 -2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.242 -7.977 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.336 -8.642 -0.295 1.00 0.00 H new ATOM 1215 N LEU A 77 8.081 -5.859 -1.777 1.00 0.00 N ATOM 1216 CA LEU A 77 7.062 -5.552 -2.767 1.00 0.00 C ATOM 1217 C LEU A 77 6.908 -4.041 -2.908 1.00 0.00 C ATOM 1218 O LEU A 77 6.805 -3.518 -4.018 1.00 0.00 O ATOM 1219 CB LEU A 77 5.730 -6.205 -2.377 1.00 0.00 C ATOM 1220 CG LEU A 77 4.471 -5.594 -3.002 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.036 -4.362 -2.222 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.700 -5.255 -4.472 1.00 0.00 C ATOM 0 H LEU A 77 7.740 -6.353 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 77 7.369 -5.957 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.772 -7.259 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.631 -6.161 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 77 3.671 -6.333 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.141 -3.940 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.820 -4.642 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.835 -3.621 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.791 -4.823 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.516 -4.537 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.956 -6.162 -5.019 1.00 0.00 H new ATOM 1234 N VAL A 78 6.913 -3.342 -1.777 1.00 0.00 N ATOM 1235 CA VAL A 78 6.794 -1.892 -1.780 1.00 0.00 C ATOM 1236 C VAL A 78 8.081 -1.263 -2.302 1.00 0.00 C ATOM 1237 O VAL A 78 8.051 -0.241 -2.987 1.00 0.00 O ATOM 1238 CB VAL A 78 6.481 -1.342 -0.370 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.457 0.182 -0.371 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.158 -1.901 0.140 1.00 0.00 C ATOM 0 H VAL A 78 6.998 -3.757 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 78 5.964 -1.630 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 78 7.275 -1.665 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.235 0.543 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.429 0.561 -0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.690 0.533 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.954 -1.503 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.355 -1.612 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.217 -2.988 0.190 1.00 0.00 H new ATOM 1250 N ASN A 79 9.213 -1.891 -1.985 1.00 0.00 N ATOM 1251 CA ASN A 79 10.511 -1.401 -2.435 1.00 0.00 C ATOM 1252 C ASN A 79 10.503 -1.198 -3.947 1.00 0.00 C ATOM 1253 O ASN A 79 10.981 -0.181 -4.451 1.00 0.00 O ATOM 1254 CB ASN A 79 11.617 -2.381 -2.042 1.00 0.00 C ATOM 1255 CG ASN A 79 12.987 -1.730 -2.030 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.497 -1.402 -3.211 1.00 0.00 O flip ATOM 1257 ND2 ASN A 79 13.580 -1.525 -0.970 1.00 0.00 N flip ATOM 0 H ASN A 79 9.255 -2.739 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 79 10.706 -0.443 -1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.403 -2.790 -1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.622 -3.219 -2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.150 -1.793 -0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.501 -1.087 -0.977 1.00 0.00 H new ATOM 1264 N TYR A 80 9.940 -2.168 -4.661 1.00 0.00 N ATOM 1265 CA TYR A 80 9.847 -2.093 -6.112 1.00 0.00 C ATOM 1266 C TYR A 80 8.860 -1.006 -6.515 1.00 0.00 C ATOM 1267 O TYR A 80 9.030 -0.339 -7.535 1.00 0.00 O ATOM 1268 CB TYR A 80 9.403 -3.440 -6.690 1.00 0.00 C ATOM 1269 CG TYR A 80 9.241 -3.436 -8.194 1.00 0.00 C ATOM 1270 CD1 TYR A 80 10.316 -3.714 -9.029 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.012 -3.155 -8.779 1.00 0.00 C ATOM 1272 CE1 TYR A 80 10.171 -3.713 -10.404 1.00 0.00 C ATOM 1273 CE2 TYR A 80 7.860 -3.151 -10.153 1.00 0.00 C ATOM 1274 CZ TYR A 80 8.941 -3.431 -10.960 1.00 0.00 C ATOM 1275 OH TYR A 80 8.793 -3.428 -12.329 1.00 0.00 O ATOM 0 H TYR A 80 9.541 -3.015 -4.256 1.00 0.00 H new ATOM 0 HA TYR A 80 10.831 -1.849 -6.511 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.133 -4.201 -6.415 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.456 -3.726 -6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.281 -3.935 -8.597 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.162 -2.936 -8.150 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.017 -3.932 -11.039 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.898 -2.929 -10.592 1.00 0.00 H new ATOM 0 HH TYR A 80 8.019 -3.977 -12.576 1.00 0.00 H new ATOM 1285 N HIS A 81 7.826 -0.834 -5.696 1.00 0.00 N ATOM 1286 CA HIS A 81 6.807 0.172 -5.951 1.00 0.00 C ATOM 1287 C HIS A 81 7.387 1.573 -5.824 1.00 0.00 C ATOM 1288 O HIS A 81 7.095 2.452 -6.635 1.00 0.00 O ATOM 1289 CB HIS A 81 5.642 0.011 -4.972 1.00 0.00 C ATOM 1290 CG HIS A 81 4.461 -0.696 -5.554 1.00 0.00 C ATOM 1291 ND1 HIS A 81 3.982 -0.431 -6.815 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.670 -1.673 -5.050 1.00 0.00 C ATOM 1293 CE1 HIS A 81 2.952 -1.214 -7.069 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.740 -1.981 -6.016 1.00 0.00 N ATOM 0 H HIS A 81 7.674 -1.381 -4.849 1.00 0.00 H new ATOM 0 HA HIS A 81 6.444 0.032 -6.969 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.988 -0.539 -4.097 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.330 0.997 -4.627 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.365 0.264 -7.456 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.754 -2.126 -4.073 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.379 -1.226 -7.984 1.00 0.00 H new ATOM 1303 N ARG A 82 8.203 1.781 -4.795 1.00 0.00 N ATOM 1304 CA ARG A 82 8.807 3.085 -4.568 1.00 0.00 C ATOM 1305 C ARG A 82 9.670 3.494 -5.739 1.00 0.00 C ATOM 1306 O ARG A 82 9.694 4.656 -6.141 1.00 0.00 O ATOM 1307 CB ARG A 82 9.619 3.086 -3.270 1.00 0.00 C ATOM 1308 CG ARG A 82 10.420 4.360 -3.045 1.00 0.00 C ATOM 1309 CD ARG A 82 11.176 4.320 -1.727 1.00 0.00 C ATOM 1310 NE ARG A 82 12.608 4.109 -1.925 1.00 0.00 N ATOM 1311 CZ ARG A 82 13.533 4.381 -1.007 1.00 0.00 C ATOM 1312 NH1 ARG A 82 13.181 4.872 0.175 1.00 0.00 N ATOM 1313 NH2 ARG A 82 14.813 4.161 -1.271 1.00 0.00 N ATOM 0 H ARG A 82 8.458 1.068 -4.111 1.00 0.00 H new ATOM 0 HA ARG A 82 8.004 3.816 -4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.941 2.941 -2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.302 2.236 -3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.125 4.497 -3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.749 5.219 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.018 5.255 -1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.775 3.522 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 82 12.918 3.731 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.197 5.043 0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.894 5.078 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.089 3.783 -2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.522 4.369 -0.568 1.00 0.00 H new ATOM 1327 N ALA A 83 10.359 2.530 -6.293 1.00 0.00 N ATOM 1328 CA ALA A 83 11.205 2.781 -7.439 1.00 0.00 C ATOM 1329 C ALA A 83 10.333 2.984 -8.666 1.00 0.00 C ATOM 1330 O ALA A 83 10.270 4.072 -9.236 1.00 0.00 O ATOM 1331 CB ALA A 83 12.177 1.630 -7.651 1.00 0.00 C ATOM 0 H ALA A 83 10.353 1.562 -5.971 1.00 0.00 H new ATOM 0 HA ALA A 83 11.793 3.682 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.804 1.838 -8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.805 1.517 -6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.619 0.709 -7.820 1.00 0.00 H new ATOM 1337 N GLN A 84 9.652 1.915 -9.051 1.00 0.00 N ATOM 1338 CA GLN A 84 8.755 1.933 -10.200 1.00 0.00 C ATOM 1339 C GLN A 84 7.297 2.114 -9.781 1.00 0.00 C ATOM 1340 O GLN A 84 6.822 1.445 -8.863 1.00 0.00 O ATOM 1341 CB GLN A 84 8.910 0.648 -11.018 1.00 0.00 C ATOM 1342 CG GLN A 84 9.759 0.822 -12.266 1.00 0.00 C ATOM 1343 CD GLN A 84 10.370 -0.480 -12.743 1.00 0.00 C ATOM 1344 OE1 GLN A 84 11.285 -1.015 -12.119 1.00 0.00 O ATOM 1345 NE2 GLN A 84 9.865 -0.997 -13.857 1.00 0.00 N ATOM 0 H GLN A 84 9.704 1.013 -8.578 1.00 0.00 H new ATOM 0 HA GLN A 84 9.032 2.788 -10.816 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.357 -0.122 -10.389 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.922 0.290 -11.307 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.146 1.244 -13.062 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.554 1.539 -12.062 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.106 -0.519 -14.343 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.236 -1.872 -14.227 1.00 0.00 H new ATOM 1354 N SER A 85 6.579 2.988 -10.478 1.00 0.00 N ATOM 1355 CA SER A 85 5.164 3.211 -10.194 1.00 0.00 C ATOM 1356 C SER A 85 4.307 2.356 -11.127 1.00 0.00 C ATOM 1357 O SER A 85 3.285 2.808 -11.643 1.00 0.00 O ATOM 1358 CB SER A 85 4.803 4.690 -10.353 1.00 0.00 C ATOM 1359 OG SER A 85 5.940 5.461 -10.703 1.00 0.00 O ATOM 0 H SER A 85 6.951 3.553 -11.242 1.00 0.00 H new ATOM 0 HA SER A 85 4.968 2.922 -9.161 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.036 4.799 -11.120 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.378 5.065 -9.422 1.00 0.00 H new ATOM 0 HG SER A 85 5.681 6.401 -10.800 1.00 0.00 H new ATOM 1365 N LEU A 86 4.751 1.123 -11.354 1.00 0.00 N ATOM 1366 CA LEU A 86 4.056 0.197 -12.242 1.00 0.00 C ATOM 1367 C LEU A 86 2.572 0.069 -11.905 1.00 0.00 C ATOM 1368 O LEU A 86 1.717 0.533 -12.659 1.00 0.00 O ATOM 1369 CB LEU A 86 4.723 -1.180 -12.188 1.00 0.00 C ATOM 1370 CG LEU A 86 4.347 -2.125 -13.329 1.00 0.00 C ATOM 1371 CD1 LEU A 86 5.541 -2.977 -13.733 1.00 0.00 C ATOM 1372 CD2 LEU A 86 3.174 -3.006 -12.925 1.00 0.00 C ATOM 0 H LEU A 86 5.596 0.740 -10.931 1.00 0.00 H new ATOM 0 HA LEU A 86 4.126 0.604 -13.251 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.804 -1.044 -12.191 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.464 -1.656 -11.242 1.00 0.00 H new ATOM 0 HG LEU A 86 4.048 -1.525 -14.189 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.254 -3.643 -14.546 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.354 -2.331 -14.063 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.872 -3.568 -12.879 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.919 -3.673 -13.749 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.447 -3.597 -12.051 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.314 -2.380 -12.686 1.00 0.00 H new ATOM 1384 N SER A 87 2.265 -0.580 -10.785 1.00 0.00 N ATOM 1385 CA SER A 87 0.876 -0.783 -10.383 1.00 0.00 C ATOM 1386 C SER A 87 0.536 -0.037 -9.097 1.00 0.00 C ATOM 1387 O SER A 87 -0.354 -0.449 -8.353 1.00 0.00 O ATOM 1388 CB SER A 87 0.594 -2.275 -10.204 1.00 0.00 C ATOM 1389 OG SER A 87 -0.723 -2.492 -9.727 1.00 0.00 O ATOM 0 H SER A 87 2.954 -0.972 -10.143 1.00 0.00 H new ATOM 0 HA SER A 87 0.246 -0.380 -11.176 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.729 -2.790 -11.155 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.312 -2.703 -9.505 1.00 0.00 H new ATOM 0 HG SER A 87 -0.846 -2.017 -8.879 1.00 0.00 H new ATOM 1395 N HIS A 88 1.232 1.065 -8.839 1.00 0.00 N ATOM 1396 CA HIS A 88 0.970 1.854 -7.642 1.00 0.00 C ATOM 1397 C HIS A 88 0.288 3.169 -8.010 1.00 0.00 C ATOM 1398 O HIS A 88 -0.939 3.235 -8.084 1.00 0.00 O ATOM 1399 CB HIS A 88 2.270 2.070 -6.845 1.00 0.00 C ATOM 1400 CG HIS A 88 2.250 3.267 -5.938 1.00 0.00 C ATOM 1401 ND1 HIS A 88 3.389 3.917 -5.520 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.217 3.939 -5.384 1.00 0.00 C ATOM 1403 CE1 HIS A 88 3.051 4.939 -4.749 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.739 4.975 -4.653 1.00 0.00 N ATOM 0 H HIS A 88 1.974 1.429 -9.436 1.00 0.00 H new ATOM 0 HA HIS A 88 0.284 1.307 -6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.468 1.180 -6.248 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.098 2.174 -7.546 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.343 3.653 -5.766 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.169 3.703 -5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 88 3.737 5.628 -4.278 1.00 0.00 H new ATOM 1413 N GLY A 89 1.075 4.203 -8.239 1.00 0.00 N ATOM 1414 CA GLY A 89 0.507 5.489 -8.597 1.00 0.00 C ATOM 1415 C GLY A 89 1.485 6.641 -8.472 1.00 0.00 C ATOM 1416 O GLY A 89 1.534 7.513 -9.340 1.00 0.00 O ATOM 0 H GLY A 89 2.093 4.180 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.142 5.443 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.356 5.685 -7.961 1.00 0.00 H new ATOM 1420 N LEU A 90 2.251 6.664 -7.387 1.00 0.00 N ATOM 1421 CA LEU A 90 3.209 7.743 -7.163 1.00 0.00 C ATOM 1422 C LEU A 90 4.477 7.255 -6.465 1.00 0.00 C ATOM 1423 O LEU A 90 5.149 8.025 -5.778 1.00 0.00 O ATOM 1424 CB LEU A 90 2.563 8.851 -6.333 1.00 0.00 C ATOM 1425 CG LEU A 90 3.215 10.227 -6.475 1.00 0.00 C ATOM 1426 CD1 LEU A 90 2.392 11.111 -7.399 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.381 10.885 -5.112 1.00 0.00 C ATOM 0 H LEU A 90 2.229 5.955 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 90 3.496 8.128 -8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.513 8.932 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.588 8.560 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 90 4.204 10.096 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.869 12.087 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.326 10.647 -8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.390 11.234 -6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.847 11.863 -5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.404 11.004 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.012 10.259 -4.480 1.00 0.00 H new ATOM 1439 N ARG A 91 4.809 5.983 -6.650 1.00 0.00 N ATOM 1440 CA ARG A 91 6.007 5.412 -6.038 1.00 0.00 C ATOM 1441 C ARG A 91 5.989 5.576 -4.517 1.00 0.00 C ATOM 1442 O ARG A 91 6.236 6.665 -3.999 1.00 0.00 O ATOM 1443 CB ARG A 91 7.252 6.082 -6.620 1.00 0.00 C ATOM 1444 CG ARG A 91 7.657 5.540 -7.980 1.00 0.00 C ATOM 1445 CD ARG A 91 8.847 6.295 -8.552 1.00 0.00 C ATOM 1446 NE ARG A 91 8.592 7.730 -8.658 1.00 0.00 N ATOM 1447 CZ ARG A 91 9.429 8.591 -9.232 1.00 0.00 C ATOM 1448 NH1 ARG A 91 10.571 8.166 -9.757 1.00 0.00 N ATOM 1449 NH2 ARG A 91 9.123 9.879 -9.282 1.00 0.00 N ATOM 0 H ARG A 91 4.269 5.328 -7.216 1.00 0.00 H new ATOM 0 HA ARG A 91 6.027 4.345 -6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.071 7.154 -6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.082 5.953 -5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.905 4.482 -7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.814 5.614 -8.667 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.719 6.129 -7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.088 5.897 -9.538 1.00 0.00 H new ATOM 0 HE ARG A 91 7.722 8.093 -8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.811 7.175 -9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.209 8.830 -10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.246 10.211 -8.881 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.764 10.539 -9.722 1.00 0.00 H new ATOM 1463 N LEU A 92 5.695 4.482 -3.807 1.00 0.00 N ATOM 1464 CA LEU A 92 5.643 4.491 -2.341 1.00 0.00 C ATOM 1465 C LEU A 92 6.817 5.282 -1.755 1.00 0.00 C ATOM 1466 O LEU A 92 7.960 4.829 -1.794 1.00 0.00 O ATOM 1467 CB LEU A 92 5.659 3.053 -1.812 1.00 0.00 C ATOM 1468 CG LEU A 92 4.300 2.311 -1.747 1.00 0.00 C ATOM 1469 CD1 LEU A 92 3.154 3.116 -2.351 1.00 0.00 C ATOM 1470 CD2 LEU A 92 4.399 0.956 -2.422 1.00 0.00 C ATOM 0 H LEU A 92 5.489 3.575 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 92 4.718 4.979 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.334 2.469 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.086 3.066 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 92 4.072 2.175 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.229 2.544 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.045 4.056 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.368 3.324 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.435 0.450 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.679 1.090 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.155 0.353 -1.919 1.00 0.00 H new ATOM 1482 N ALA A 93 6.529 6.475 -1.232 1.00 0.00 N ATOM 1483 CA ALA A 93 7.567 7.335 -0.662 1.00 0.00 C ATOM 1484 C ALA A 93 7.632 7.237 0.863 1.00 0.00 C ATOM 1485 O ALA A 93 8.495 6.551 1.411 1.00 0.00 O ATOM 1486 CB ALA A 93 7.340 8.778 -1.087 1.00 0.00 C ATOM 0 H ALA A 93 5.588 6.867 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 93 8.525 6.986 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.117 9.410 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.375 8.847 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.364 9.112 -0.734 1.00 0.00 H new ATOM 1492 N ALA A 94 6.725 7.932 1.545 1.00 0.00 N ATOM 1493 CA ALA A 94 6.694 7.927 3.008 1.00 0.00 C ATOM 1494 C ALA A 94 5.640 6.956 3.544 1.00 0.00 C ATOM 1495 O ALA A 94 4.949 6.295 2.774 1.00 0.00 O ATOM 1496 CB ALA A 94 6.438 9.335 3.528 1.00 0.00 C ATOM 0 H ALA A 94 6.002 8.505 1.110 1.00 0.00 H new ATOM 0 HA ALA A 94 7.665 7.586 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.416 9.322 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.233 9.998 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.480 9.694 3.150 1.00 0.00 H new ATOM 1502 N PRO A 95 5.510 6.850 4.882 1.00 0.00 N ATOM 1503 CA PRO A 95 4.546 5.957 5.519 1.00 0.00 C ATOM 1504 C PRO A 95 3.204 6.632 5.784 1.00 0.00 C ATOM 1505 O PRO A 95 3.110 7.859 5.799 1.00 0.00 O ATOM 1506 CB PRO A 95 5.235 5.633 6.839 1.00 0.00 C ATOM 1507 CG PRO A 95 5.986 6.878 7.187 1.00 0.00 C ATOM 1508 CD PRO A 95 6.303 7.583 5.885 1.00 0.00 C ATOM 0 HA PRO A 95 4.307 5.093 4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.510 5.378 7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.906 4.780 6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.390 7.519 7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.901 6.638 7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.024 8.636 5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.368 7.543 5.658 1.00 0.00 H new ATOM 1516 N CYS A 96 2.170 5.824 6.006 1.00 0.00 N ATOM 1517 CA CYS A 96 0.837 6.349 6.287 1.00 0.00 C ATOM 1518 C CYS A 96 0.746 6.823 7.736 1.00 0.00 C ATOM 1519 O CYS A 96 1.368 6.243 8.626 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.227 5.285 6.020 1.00 0.00 C ATOM 1521 SG CYS A 96 -1.913 5.936 5.946 1.00 0.00 S ATOM 0 H CYS A 96 2.230 4.806 5.997 1.00 0.00 H new ATOM 0 HA CYS A 96 0.658 7.197 5.626 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.001 4.786 5.078 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.174 4.528 6.803 1.00 0.00 H new ATOM 0 HG CYS A 96 -2.759 4.977 6.181 1.00 0.00 H new ATOM 1527 N ARG A 97 -0.027 7.881 7.969 1.00 0.00 N ATOM 1528 CA ARG A 97 -0.188 8.426 9.314 1.00 0.00 C ATOM 1529 C ARG A 97 -1.506 9.184 9.446 1.00 0.00 C ATOM 1530 O ARG A 97 -2.368 9.107 8.572 1.00 0.00 O ATOM 1531 CB ARG A 97 0.980 9.356 9.655 1.00 0.00 C ATOM 1532 CG ARG A 97 2.343 8.785 9.297 1.00 0.00 C ATOM 1533 CD ARG A 97 3.468 9.688 9.775 1.00 0.00 C ATOM 1534 NE ARG A 97 3.219 11.093 9.455 1.00 0.00 N ATOM 1535 CZ ARG A 97 3.839 12.109 10.052 1.00 0.00 C ATOM 1536 NH1 ARG A 97 4.742 11.883 10.997 1.00 0.00 N ATOM 1537 NH2 ARG A 97 3.555 13.355 9.700 1.00 0.00 N ATOM 0 H ARG A 97 -0.550 8.376 7.247 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.199 7.590 10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.844 10.302 9.131 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.957 9.576 10.722 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.453 7.797 9.744 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.412 8.656 8.217 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.588 9.578 10.853 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.405 9.373 9.316 1.00 0.00 H new ATOM 0 HE ARG A 97 2.531 11.307 8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.965 10.926 11.271 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.213 12.666 11.450 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.862 13.534 8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.029 14.134 10.156 1.00 0.00 H new