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 53 TYR OH : rot -144:sc= -4.98! USER MOD Set 1.2: A 81 HIS : no HE2:sc= -8.96! C(o=-28!,f=-32!) USER MOD Set 1.3: A 88 HIS : no HE2:sc= -14.2! C(o=-28!,f=-31!) USER MOD Set 2.1: A 43 SER OG : rot 169:sc= -4.6! USER MOD Set 2.2: A 52 HIS : no HE2:sc= -13.3! C(o=-18!,f=-24!) USER MOD Set 3.1: A 23 ASN : amide:sc= -13.2! C(o=-18!,f=-26!) USER MOD Set 3.2: A 96 CYS SG : rot 20:sc= -4.38 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 43:sc= 1.02 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0043 USER MOD Single : A 19 GLN : amide:sc= -0.925 K(o=-0.93,f=-3!) USER MOD Single : A 25 THR OG1 : rot 17:sc= 0.0282 USER MOD Single : A 33 SER OG : rot 51:sc= 0.137 USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= -0.652 (180deg=-1.59!) 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 47 THR OG1 : rot -24:sc= 0.482 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= -0.697 (180deg=-2.82!) USER MOD Single : A 64 HIS : no HD1:sc= -6.77! C(o=-6.8!,f=-7.8!) USER MOD Single : A 66 ASN : amide:sc= -0.0721 X(o=-0.072,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0719 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0542 USER MOD Single : A 79 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.6) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0994 X(o=-0.099,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.9 USER MOD Single : A 87 SER OG : rot -46:sc= -0.496! USER MOD ----------------------------------------------------------------- ATOM 29 N PRO A 3 6.199 1.567 4.538 1.00 0.00 N ATOM 30 CA PRO A 3 4.760 1.508 4.272 1.00 0.00 C ATOM 31 C PRO A 3 3.912 1.509 5.542 1.00 0.00 C ATOM 32 O PRO A 3 2.839 2.105 5.580 1.00 0.00 O ATOM 33 CB PRO A 3 4.628 0.149 3.590 1.00 0.00 C ATOM 34 CG PRO A 3 5.645 -0.704 4.274 1.00 0.00 C ATOM 35 CD PRO A 3 6.771 0.215 4.693 1.00 0.00 C ATOM 0 HA PRO A 3 4.415 2.368 3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.624 -0.259 3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.822 0.220 2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.211 -1.205 5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.010 -1.483 3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.079 0.027 5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.652 0.079 4.066 1.00 0.00 H new ATOM 43 N TRP A 4 4.378 0.802 6.569 1.00 0.00 N ATOM 44 CA TRP A 4 3.636 0.686 7.818 1.00 0.00 C ATOM 45 C TRP A 4 2.431 -0.224 7.598 1.00 0.00 C ATOM 46 O TRP A 4 1.372 0.220 7.152 1.00 0.00 O ATOM 47 CB TRP A 4 3.189 2.060 8.334 1.00 0.00 C ATOM 48 CG TRP A 4 3.995 2.541 9.502 1.00 0.00 C ATOM 49 CD1 TRP A 4 3.557 3.314 10.538 1.00 0.00 C ATOM 50 CD2 TRP A 4 5.380 2.281 9.752 1.00 0.00 C ATOM 51 NE1 TRP A 4 4.587 3.550 11.417 1.00 0.00 N ATOM 52 CE2 TRP A 4 5.716 2.926 10.956 1.00 0.00 C ATOM 53 CE3 TRP A 4 6.370 1.563 9.073 1.00 0.00 C ATOM 54 CZ2 TRP A 4 6.999 2.876 11.496 1.00 0.00 C ATOM 55 CZ3 TRP A 4 7.643 1.514 9.610 1.00 0.00 C ATOM 56 CH2 TRP A 4 7.948 2.167 10.811 1.00 0.00 C ATOM 0 H TRP A 4 5.267 0.301 6.559 1.00 0.00 H new ATOM 0 HA TRP A 4 4.289 0.254 8.577 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.263 2.787 7.525 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.139 2.009 8.621 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.549 3.686 10.651 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.521 4.100 12.273 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.144 1.056 8.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.236 3.379 12.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.416 0.963 9.095 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.952 2.110 11.204 1.00 0.00 H new ATOM 67 N PHE A 5 2.616 -1.508 7.882 1.00 0.00 N ATOM 68 CA PHE A 5 1.560 -2.495 7.690 1.00 0.00 C ATOM 69 C PHE A 5 0.513 -2.429 8.793 1.00 0.00 C ATOM 70 O PHE A 5 0.837 -2.449 9.981 1.00 0.00 O ATOM 71 CB PHE A 5 2.160 -3.901 7.628 1.00 0.00 C ATOM 72 CG PHE A 5 2.807 -4.334 8.913 1.00 0.00 C ATOM 73 CD1 PHE A 5 4.134 -4.032 9.173 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.087 -5.044 9.861 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.731 -4.428 10.355 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.678 -5.443 11.045 1.00 0.00 C ATOM 77 CZ PHE A 5 4.002 -5.135 11.293 1.00 0.00 C ATOM 0 H PHE A 5 3.489 -1.890 8.246 1.00 0.00 H new ATOM 0 HA PHE A 5 1.064 -2.265 6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.375 -4.611 7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.900 -3.937 6.828 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.709 -3.481 8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.052 -5.288 9.672 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.766 -4.185 10.546 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.105 -5.995 11.776 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.466 -5.446 12.217 1.00 0.00 H new ATOM 87 N PHE A 6 -0.749 -2.372 8.385 1.00 0.00 N ATOM 88 CA PHE A 6 -1.864 -2.327 9.321 1.00 0.00 C ATOM 89 C PHE A 6 -2.961 -3.278 8.857 1.00 0.00 C ATOM 90 O PHE A 6 -3.745 -2.945 7.974 1.00 0.00 O ATOM 91 CB PHE A 6 -2.411 -0.902 9.438 1.00 0.00 C ATOM 92 CG PHE A 6 -2.310 -0.334 10.825 1.00 0.00 C ATOM 93 CD1 PHE A 6 -3.031 -0.891 11.870 1.00 0.00 C ATOM 94 CD2 PHE A 6 -1.495 0.757 11.083 1.00 0.00 C ATOM 95 CE1 PHE A 6 -2.939 -0.371 13.147 1.00 0.00 C ATOM 96 CE2 PHE A 6 -1.401 1.281 12.358 1.00 0.00 C ATOM 97 CZ PHE A 6 -2.123 0.717 13.391 1.00 0.00 C ATOM 0 H PHE A 6 -1.026 -2.356 7.404 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.512 -2.639 10.304 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.868 -0.255 8.749 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.455 -0.895 9.126 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.671 -1.740 11.684 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.928 1.202 10.279 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.504 -0.814 13.953 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.763 2.132 12.547 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.050 1.126 14.388 1.00 0.00 H new ATOM 107 N GLY A 7 -3.005 -4.467 9.447 1.00 0.00 N ATOM 108 CA GLY A 7 -3.999 -5.446 9.060 1.00 0.00 C ATOM 109 C GLY A 7 -5.315 -5.265 9.779 1.00 0.00 C ATOM 110 O GLY A 7 -6.147 -6.173 9.791 1.00 0.00 O ATOM 0 H GLY A 7 -2.370 -4.769 10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.166 -5.381 7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.615 -6.446 9.263 1.00 0.00 H new ATOM 114 N CYS A 8 -5.513 -4.100 10.387 1.00 0.00 N ATOM 115 CA CYS A 8 -6.747 -3.840 11.105 1.00 0.00 C ATOM 116 C CYS A 8 -7.448 -2.575 10.607 1.00 0.00 C ATOM 117 O CYS A 8 -8.564 -2.272 11.028 1.00 0.00 O ATOM 118 CB CYS A 8 -6.478 -3.732 12.607 1.00 0.00 C ATOM 119 SG CYS A 8 -6.113 -5.312 13.407 1.00 0.00 S ATOM 0 H CYS A 8 -4.842 -3.332 10.395 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.413 -4.682 10.916 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.640 -3.054 12.767 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.347 -3.285 13.090 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.898 -5.117 14.674 1.00 0.00 H new ATOM 125 N ILE A 9 -6.797 -1.842 9.709 1.00 0.00 N ATOM 126 CA ILE A 9 -7.373 -0.618 9.163 1.00 0.00 C ATOM 127 C ILE A 9 -8.438 -0.935 8.119 1.00 0.00 C ATOM 128 O ILE A 9 -8.243 -1.797 7.263 1.00 0.00 O ATOM 129 CB ILE A 9 -6.301 0.276 8.510 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.575 -0.494 7.412 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.312 0.785 9.548 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.541 0.330 6.695 1.00 0.00 C ATOM 0 H ILE A 9 -5.873 -2.073 9.345 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.821 -0.085 10.002 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.796 1.139 8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.094 -1.369 7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.305 -0.858 6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.566 1.413 9.062 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.843 1.368 10.301 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.818 -0.061 10.026 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.061 -0.276 5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.020 1.192 6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.791 0.673 7.408 1.00 0.00 H new ATOM 144 N SER A 10 -9.557 -0.224 8.185 1.00 0.00 N ATOM 145 CA SER A 10 -10.642 -0.425 7.235 1.00 0.00 C ATOM 146 C SER A 10 -10.457 0.482 6.023 1.00 0.00 C ATOM 147 O SER A 10 -9.772 1.501 6.103 1.00 0.00 O ATOM 148 CB SER A 10 -11.993 -0.146 7.897 1.00 0.00 C ATOM 149 OG SER A 10 -13.034 -0.860 7.253 1.00 0.00 O ATOM 0 H SER A 10 -9.736 0.496 8.885 1.00 0.00 H new ATOM 0 HA SER A 10 -10.623 -1.464 6.905 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.951 -0.428 8.949 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.205 0.923 7.862 1.00 0.00 H new ATOM 0 HG SER A 10 -12.735 -1.774 7.062 1.00 0.00 H new ATOM 155 N ARG A 11 -11.066 0.109 4.902 1.00 0.00 N ATOM 156 CA ARG A 11 -10.956 0.900 3.680 1.00 0.00 C ATOM 157 C ARG A 11 -11.339 2.348 3.934 1.00 0.00 C ATOM 158 O ARG A 11 -10.831 3.265 3.290 1.00 0.00 O ATOM 159 CB ARG A 11 -11.835 0.309 2.577 1.00 0.00 C ATOM 160 CG ARG A 11 -11.757 1.073 1.264 1.00 0.00 C ATOM 161 CD ARG A 11 -12.319 0.259 0.108 1.00 0.00 C ATOM 162 NE ARG A 11 -11.414 0.244 -1.039 1.00 0.00 N ATOM 163 CZ ARG A 11 -11.793 -0.051 -2.280 1.00 0.00 C ATOM 164 NH1 ARG A 11 -13.058 -0.357 -2.540 1.00 0.00 N ATOM 165 NH2 ARG A 11 -10.903 -0.040 -3.264 1.00 0.00 N ATOM 0 H ARG A 11 -11.638 -0.731 4.814 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.916 0.871 3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.540 -0.726 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.870 0.293 2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.309 2.008 1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.719 1.334 1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.502 -0.763 0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.281 0.673 -0.194 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.433 0.473 -0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.746 -0.367 -1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.343 -0.582 -3.493 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.930 0.194 -3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.192 -0.266 -4.216 1.00 0.00 H new ATOM 179 N SER A 12 -12.230 2.541 4.886 1.00 0.00 N ATOM 180 CA SER A 12 -12.692 3.874 5.249 1.00 0.00 C ATOM 181 C SER A 12 -11.561 4.689 5.869 1.00 0.00 C ATOM 182 O SER A 12 -11.461 5.898 5.652 1.00 0.00 O ATOM 183 CB SER A 12 -13.867 3.784 6.224 1.00 0.00 C ATOM 184 OG SER A 12 -13.420 3.496 7.538 1.00 0.00 O ATOM 0 H SER A 12 -12.654 1.788 5.428 1.00 0.00 H new ATOM 0 HA SER A 12 -13.024 4.377 4.341 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.418 4.725 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.559 3.009 5.894 1.00 0.00 H new ATOM 0 HG SER A 12 -14.190 3.446 8.142 1.00 0.00 H new ATOM 190 N GLU A 13 -10.714 4.021 6.644 1.00 0.00 N ATOM 191 CA GLU A 13 -9.594 4.688 7.297 1.00 0.00 C ATOM 192 C GLU A 13 -8.474 4.985 6.311 1.00 0.00 C ATOM 193 O GLU A 13 -8.052 6.124 6.179 1.00 0.00 O ATOM 194 CB GLU A 13 -9.048 3.839 8.443 1.00 0.00 C ATOM 195 CG GLU A 13 -10.123 3.305 9.373 1.00 0.00 C ATOM 196 CD GLU A 13 -9.683 3.287 10.825 1.00 0.00 C ATOM 197 OE1 GLU A 13 -8.479 3.075 11.076 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.542 3.488 11.709 1.00 0.00 O ATOM 0 H GLU A 13 -10.781 3.021 6.835 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.969 5.631 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.490 3.000 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.343 4.436 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.019 3.918 9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.394 2.295 9.067 1.00 0.00 H new ATOM 205 N ALA A 14 -7.992 3.955 5.624 1.00 0.00 N ATOM 206 CA ALA A 14 -6.911 4.118 4.660 1.00 0.00 C ATOM 207 C ALA A 14 -7.206 5.252 3.685 1.00 0.00 C ATOM 208 O ALA A 14 -6.292 5.855 3.125 1.00 0.00 O ATOM 209 CB ALA A 14 -6.667 2.815 3.916 1.00 0.00 C ATOM 0 H ALA A 14 -8.333 2.998 5.717 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.005 4.381 5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.857 2.951 3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.395 2.035 4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.574 2.523 3.387 1.00 0.00 H new ATOM 215 N VAL A 15 -8.483 5.548 3.493 1.00 0.00 N ATOM 216 CA VAL A 15 -8.876 6.625 2.592 1.00 0.00 C ATOM 217 C VAL A 15 -8.634 7.987 3.245 1.00 0.00 C ATOM 218 O VAL A 15 -8.022 8.874 2.648 1.00 0.00 O ATOM 219 CB VAL A 15 -10.357 6.509 2.174 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.763 7.679 1.289 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.610 5.188 1.465 1.00 0.00 C ATOM 0 H VAL A 15 -9.259 5.064 3.944 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.261 6.536 1.697 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.968 6.538 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.811 7.575 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.624 8.613 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.145 7.688 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.660 5.124 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.986 5.128 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.366 4.363 2.135 1.00 0.00 H new ATOM 231 N ARG A 16 -9.109 8.147 4.476 1.00 0.00 N ATOM 232 CA ARG A 16 -8.932 9.400 5.206 1.00 0.00 C ATOM 233 C ARG A 16 -7.561 9.456 5.877 1.00 0.00 C ATOM 234 O ARG A 16 -7.084 10.524 6.264 1.00 0.00 O ATOM 235 CB ARG A 16 -10.035 9.567 6.254 1.00 0.00 C ATOM 236 CG ARG A 16 -11.308 10.187 5.704 1.00 0.00 C ATOM 237 CD ARG A 16 -12.331 10.428 6.803 1.00 0.00 C ATOM 238 NE ARG A 16 -13.268 9.313 6.933 1.00 0.00 N ATOM 239 CZ ARG A 16 -14.018 9.098 8.012 1.00 0.00 C ATOM 240 NH1 ARG A 16 -13.945 9.916 9.055 1.00 0.00 N ATOM 241 NH2 ARG A 16 -14.843 8.061 8.048 1.00 0.00 N ATOM 0 H ARG A 16 -9.618 7.427 4.989 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.996 10.218 4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.271 8.592 6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.660 10.188 7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.071 11.131 5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.735 9.531 4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.815 10.581 7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.884 11.343 6.590 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.352 8.662 6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.312 10.715 9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.522 9.745 9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.903 7.429 7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.418 7.895 8.874 1.00 0.00 H new ATOM 255 N ARG A 17 -6.939 8.295 6.010 1.00 0.00 N ATOM 256 CA ARG A 17 -5.629 8.177 6.631 1.00 0.00 C ATOM 257 C ARG A 17 -4.530 8.598 5.660 1.00 0.00 C ATOM 258 O ARG A 17 -3.623 9.347 6.021 1.00 0.00 O ATOM 259 CB ARG A 17 -5.402 6.736 7.109 1.00 0.00 C ATOM 260 CG ARG A 17 -4.376 6.614 8.224 1.00 0.00 C ATOM 261 CD ARG A 17 -3.924 5.173 8.408 1.00 0.00 C ATOM 262 NE ARG A 17 -2.705 5.076 9.208 1.00 0.00 N ATOM 263 CZ ARG A 17 -1.928 3.995 9.248 1.00 0.00 C ATOM 264 NH1 ARG A 17 -2.238 2.920 8.534 1.00 0.00 N ATOM 265 NH2 ARG A 17 -0.837 3.990 10.003 1.00 0.00 N ATOM 0 H ARG A 17 -7.328 7.408 5.690 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.592 8.844 7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.350 6.324 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.079 6.129 6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.514 7.241 7.997 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.803 6.985 9.156 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.719 4.603 8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.753 4.720 7.432 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.433 5.884 9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.075 2.919 7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.639 2.095 8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.593 4.814 10.553 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.242 3.162 10.034 1.00 0.00 H new ATOM 279 N LEU A 18 -4.624 8.121 4.422 1.00 0.00 N ATOM 280 CA LEU A 18 -3.643 8.459 3.398 1.00 0.00 C ATOM 281 C LEU A 18 -3.736 9.929 3.029 1.00 0.00 C ATOM 282 O LEU A 18 -2.729 10.614 2.871 1.00 0.00 O ATOM 283 CB LEU A 18 -3.844 7.595 2.160 1.00 0.00 C ATOM 284 CG LEU A 18 -3.091 6.269 2.184 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.594 6.513 2.172 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.481 5.453 3.406 1.00 0.00 C ATOM 0 H LEU A 18 -5.369 7.500 4.105 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.650 8.265 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.908 7.392 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.530 8.161 1.283 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.362 5.704 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.069 5.558 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.322 7.060 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.313 7.097 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.933 4.511 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.239 6.012 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.552 5.250 3.381 1.00 0.00 H new ATOM 298 N GLN A 19 -4.962 10.394 2.896 1.00 0.00 N ATOM 299 CA GLN A 19 -5.228 11.787 2.543 1.00 0.00 C ATOM 300 C GLN A 19 -4.974 12.727 3.719 1.00 0.00 C ATOM 301 O GLN A 19 -4.853 13.937 3.534 1.00 0.00 O ATOM 302 CB GLN A 19 -6.665 11.945 2.046 1.00 0.00 C ATOM 303 CG GLN A 19 -7.710 11.734 3.127 1.00 0.00 C ATOM 304 CD GLN A 19 -8.372 13.026 3.562 1.00 0.00 C ATOM 305 OE1 GLN A 19 -8.180 14.076 2.947 1.00 0.00 O ATOM 306 NE2 GLN A 19 -9.159 12.957 4.630 1.00 0.00 N ATOM 0 H GLN A 19 -5.800 9.828 3.027 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.539 12.060 1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.787 12.943 1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.841 11.234 1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.472 11.046 2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.243 11.261 3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.291 12.067 5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.632 13.794 4.970 1.00 0.00 H new ATOM 315 N ALA A 20 -4.889 12.173 4.931 1.00 0.00 N ATOM 316 CA ALA A 20 -4.641 12.981 6.124 1.00 0.00 C ATOM 317 C ALA A 20 -3.458 13.921 5.909 1.00 0.00 C ATOM 318 O ALA A 20 -2.799 13.869 4.870 1.00 0.00 O ATOM 319 CB ALA A 20 -4.389 12.081 7.324 1.00 0.00 C ATOM 0 H ALA A 20 -4.988 11.174 5.110 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.526 13.587 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.206 12.694 8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.261 11.450 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.519 11.453 7.131 1.00 0.00 H new ATOM 325 N GLU A 21 -3.181 14.780 6.888 1.00 0.00 N ATOM 326 CA GLU A 21 -2.065 15.714 6.763 1.00 0.00 C ATOM 327 C GLU A 21 -0.773 15.122 7.298 1.00 0.00 C ATOM 328 O GLU A 21 0.226 15.817 7.482 1.00 0.00 O ATOM 329 CB GLU A 21 -2.380 17.041 7.455 1.00 0.00 C ATOM 330 CG GLU A 21 -3.452 17.853 6.747 1.00 0.00 C ATOM 331 CD GLU A 21 -3.111 19.327 6.668 1.00 0.00 C ATOM 332 OE1 GLU A 21 -1.927 19.651 6.433 1.00 0.00 O ATOM 333 OE2 GLU A 21 -4.027 20.159 6.839 1.00 0.00 O ATOM 0 H GLU A 21 -3.703 14.849 7.761 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.923 15.907 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.702 16.841 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.468 17.634 7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.592 17.462 5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.400 17.731 7.271 1.00 0.00 H new ATOM 340 N GLY A 22 -0.805 13.826 7.497 1.00 0.00 N ATOM 341 CA GLY A 22 0.359 13.098 7.959 1.00 0.00 C ATOM 342 C GLY A 22 1.109 12.461 6.805 1.00 0.00 C ATOM 343 O GLY A 22 2.199 11.920 6.979 1.00 0.00 O ATOM 0 H GLY A 22 -1.631 13.247 7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.023 13.775 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.051 12.326 8.664 1.00 0.00 H new ATOM 347 N ASN A 23 0.496 12.510 5.623 1.00 0.00 N ATOM 348 CA ASN A 23 1.071 11.920 4.422 1.00 0.00 C ATOM 349 C ASN A 23 1.414 12.980 3.389 1.00 0.00 C ATOM 350 O ASN A 23 0.559 13.761 2.972 1.00 0.00 O ATOM 351 CB ASN A 23 0.084 10.918 3.833 1.00 0.00 C ATOM 352 CG ASN A 23 -0.063 9.686 4.702 1.00 0.00 C ATOM 353 OD1 ASN A 23 0.287 9.700 5.882 1.00 0.00 O ATOM 354 ND2 ASN A 23 -0.581 8.613 4.124 1.00 0.00 N ATOM 0 H ASN A 23 -0.408 12.958 5.475 1.00 0.00 H new ATOM 0 HA ASN A 23 1.997 11.414 4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.889 11.395 3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.418 10.622 2.839 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.703 7.754 4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.858 8.646 3.143 1.00 0.00 H new ATOM 361 N ALA A 24 2.673 12.992 2.971 1.00 0.00 N ATOM 362 CA ALA A 24 3.130 13.945 1.976 1.00 0.00 C ATOM 363 C ALA A 24 3.328 13.260 0.634 1.00 0.00 C ATOM 364 O ALA A 24 4.441 13.188 0.115 1.00 0.00 O ATOM 365 CB ALA A 24 4.414 14.619 2.432 1.00 0.00 C ATOM 0 H ALA A 24 3.393 12.352 3.307 1.00 0.00 H new ATOM 0 HA ALA A 24 2.366 14.713 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.741 15.330 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.235 15.146 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.187 13.866 2.581 1.00 0.00 H new ATOM 371 N THR A 25 2.227 12.757 0.091 1.00 0.00 N ATOM 372 CA THR A 25 2.227 12.065 -1.191 1.00 0.00 C ATOM 373 C THR A 25 3.162 10.862 -1.179 1.00 0.00 C ATOM 374 O THR A 25 4.248 10.903 -0.602 1.00 0.00 O ATOM 375 CB THR A 25 2.589 13.029 -2.324 1.00 0.00 C ATOM 376 OG1 THR A 25 3.860 13.614 -2.110 1.00 0.00 O ATOM 377 CG2 THR A 25 1.585 14.151 -2.482 1.00 0.00 C ATOM 0 H THR A 25 1.307 12.818 0.528 1.00 0.00 H new ATOM 0 HA THR A 25 1.218 11.691 -1.366 1.00 0.00 H new ATOM 0 HB THR A 25 2.591 12.424 -3.231 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.351 13.093 -1.441 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.893 14.803 -3.300 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.603 13.732 -2.702 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.535 14.727 -1.558 1.00 0.00 H new ATOM 385 N GLY A 26 2.708 9.773 -1.795 1.00 0.00 N ATOM 386 CA GLY A 26 3.486 8.549 -1.823 1.00 0.00 C ATOM 387 C GLY A 26 3.245 7.719 -0.593 1.00 0.00 C ATOM 388 O GLY A 26 3.401 6.504 -0.630 1.00 0.00 O ATOM 0 H GLY A 26 1.811 9.718 -2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.227 7.971 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.546 8.791 -1.899 1.00 0.00 H new ATOM 392 N ALA A 27 2.839 8.374 0.497 1.00 0.00 N ATOM 393 CA ALA A 27 2.550 7.678 1.739 1.00 0.00 C ATOM 394 C ALA A 27 1.738 6.429 1.444 1.00 0.00 C ATOM 395 O ALA A 27 0.698 6.504 0.798 1.00 0.00 O ATOM 396 CB ALA A 27 1.795 8.592 2.685 1.00 0.00 C ATOM 0 H ALA A 27 2.705 9.384 0.538 1.00 0.00 H new ATOM 0 HA ALA A 27 3.486 7.387 2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.583 8.061 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.400 9.472 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.858 8.901 2.222 1.00 0.00 H new ATOM 402 N PHE A 28 2.233 5.282 1.873 1.00 0.00 N ATOM 403 CA PHE A 28 1.561 4.028 1.604 1.00 0.00 C ATOM 404 C PHE A 28 1.410 3.223 2.883 1.00 0.00 C ATOM 405 O PHE A 28 2.047 3.514 3.893 1.00 0.00 O ATOM 406 CB PHE A 28 2.363 3.265 0.558 1.00 0.00 C ATOM 407 CG PHE A 28 3.841 3.247 0.834 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.593 4.404 0.742 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.476 2.076 1.192 1.00 0.00 C ATOM 410 CE1 PHE A 28 5.947 4.393 1.000 1.00 0.00 C ATOM 411 CE2 PHE A 28 5.835 2.059 1.454 1.00 0.00 C ATOM 412 CZ PHE A 28 6.570 3.219 1.358 1.00 0.00 C ATOM 0 H PHE A 28 3.097 5.195 2.408 1.00 0.00 H new ATOM 0 HA PHE A 28 0.558 4.214 1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.998 2.239 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.189 3.713 -0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.112 5.330 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.906 1.162 1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.519 5.306 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.319 1.135 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.630 3.208 1.563 1.00 0.00 H new ATOM 422 N LEU A 29 0.547 2.227 2.831 1.00 0.00 N ATOM 423 CA LEU A 29 0.277 1.375 3.981 1.00 0.00 C ATOM 424 C LEU A 29 -0.248 0.018 3.538 1.00 0.00 C ATOM 425 O LEU A 29 -1.050 -0.079 2.612 1.00 0.00 O ATOM 426 CB LEU A 29 -0.723 2.042 4.928 1.00 0.00 C ATOM 427 CG LEU A 29 -1.978 2.685 4.292 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.000 2.582 2.779 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.223 2.042 4.854 1.00 0.00 C ATOM 0 H LEU A 29 0.014 1.983 1.996 1.00 0.00 H new ATOM 0 HA LEU A 29 1.216 1.226 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.055 1.295 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.195 2.814 5.488 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.946 3.746 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.906 3.052 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.127 3.088 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.983 1.532 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.104 2.499 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.213 0.975 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.252 2.188 5.934 1.00 0.00 H new ATOM 441 N ILE A 30 0.193 -1.033 4.201 1.00 0.00 N ATOM 442 CA ILE A 30 -0.250 -2.368 3.835 1.00 0.00 C ATOM 443 C ILE A 30 -1.211 -2.937 4.864 1.00 0.00 C ATOM 444 O ILE A 30 -0.840 -3.168 6.013 1.00 0.00 O ATOM 445 CB ILE A 30 0.926 -3.344 3.659 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.218 -2.605 3.258 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.555 -4.405 2.636 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.314 -2.263 1.787 1.00 0.00 C ATOM 0 H ILE A 30 0.847 -0.993 4.983 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.762 -2.262 2.879 1.00 0.00 H new ATOM 0 HB ILE A 30 1.125 -3.829 4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.290 -1.685 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.074 -3.222 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.388 -5.097 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.322 -4.952 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.333 -3.928 1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.254 -1.745 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.277 -3.179 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.481 -1.618 1.508 1.00 0.00 H new ATOM 460 N ARG A 31 -2.449 -3.170 4.445 1.00 0.00 N ATOM 461 CA ARG A 31 -3.458 -3.718 5.337 1.00 0.00 C ATOM 462 C ARG A 31 -3.932 -5.078 4.850 1.00 0.00 C ATOM 463 O ARG A 31 -3.446 -5.591 3.843 1.00 0.00 O ATOM 464 CB ARG A 31 -4.643 -2.760 5.454 1.00 0.00 C ATOM 465 CG ARG A 31 -5.532 -2.718 4.227 1.00 0.00 C ATOM 466 CD ARG A 31 -6.552 -1.595 4.333 1.00 0.00 C ATOM 467 NE ARG A 31 -7.373 -1.478 3.132 1.00 0.00 N ATOM 468 CZ ARG A 31 -6.942 -0.953 1.989 1.00 0.00 C ATOM 469 NH1 ARG A 31 -5.696 -0.508 1.883 1.00 0.00 N ATOM 470 NH2 ARG A 31 -7.759 -0.875 0.949 1.00 0.00 N ATOM 0 H ARG A 31 -2.776 -2.988 3.496 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.007 -3.843 6.321 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.245 -3.049 6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.266 -1.756 5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.921 -2.577 3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.046 -3.672 4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.196 -1.772 5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.034 -0.652 4.510 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.334 -1.819 3.172 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.063 -0.568 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.371 -0.106 1.004 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.717 -1.217 1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.430 -0.473 0.071 1.00 0.00 H new ATOM 484 N VAL A 32 -4.888 -5.660 5.565 1.00 0.00 N ATOM 485 CA VAL A 32 -5.412 -6.962 5.186 1.00 0.00 C ATOM 486 C VAL A 32 -6.512 -6.834 4.144 1.00 0.00 C ATOM 487 O VAL A 32 -7.301 -5.888 4.161 1.00 0.00 O ATOM 488 CB VAL A 32 -5.951 -7.733 6.404 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.822 -8.062 7.370 1.00 0.00 C ATOM 490 CG2 VAL A 32 -7.044 -6.936 7.099 1.00 0.00 C ATOM 0 H VAL A 32 -5.310 -5.255 6.400 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.580 -7.521 4.758 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.384 -8.671 6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.222 -8.607 8.225 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.078 -8.677 6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.357 -7.138 7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.413 -7.497 7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.640 -5.981 7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.863 -6.758 6.403 1.00 0.00 H new ATOM 500 N SER A 33 -6.545 -7.794 3.232 1.00 0.00 N ATOM 501 CA SER A 33 -7.528 -7.815 2.159 1.00 0.00 C ATOM 502 C SER A 33 -8.954 -7.724 2.692 1.00 0.00 C ATOM 503 O SER A 33 -9.565 -8.740 3.024 1.00 0.00 O ATOM 504 CB SER A 33 -7.372 -9.090 1.334 1.00 0.00 C ATOM 505 OG SER A 33 -7.236 -10.226 2.170 1.00 0.00 O ATOM 0 H SER A 33 -5.893 -8.578 3.215 1.00 0.00 H new ATOM 0 HA SER A 33 -7.347 -6.942 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.238 -9.215 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.499 -9.004 0.688 1.00 0.00 H new ATOM 0 HG SER A 33 -7.958 -10.233 2.832 1.00 0.00 H new ATOM 511 N GLU A 34 -9.491 -6.509 2.747 1.00 0.00 N ATOM 512 CA GLU A 34 -10.858 -6.310 3.214 1.00 0.00 C ATOM 513 C GLU A 34 -11.837 -7.001 2.271 1.00 0.00 C ATOM 514 O GLU A 34 -12.972 -7.303 2.637 1.00 0.00 O ATOM 515 CB GLU A 34 -11.183 -4.818 3.313 1.00 0.00 C ATOM 516 CG GLU A 34 -10.923 -4.229 4.691 1.00 0.00 C ATOM 517 CD GLU A 34 -12.072 -3.371 5.185 1.00 0.00 C ATOM 518 OE1 GLU A 34 -12.644 -2.617 4.369 1.00 0.00 O ATOM 519 OE2 GLU A 34 -12.398 -3.453 6.387 1.00 0.00 O ATOM 0 H GLU A 34 -9.005 -5.654 2.476 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.952 -6.748 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.589 -4.276 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.230 -4.665 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.747 -5.038 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.014 -3.629 4.660 1.00 0.00 H new ATOM 526 N LYS A 35 -11.370 -7.251 1.055 1.00 0.00 N ATOM 527 CA LYS A 35 -12.171 -7.915 0.033 1.00 0.00 C ATOM 528 C LYS A 35 -11.515 -9.231 -0.400 1.00 0.00 C ATOM 529 O LYS A 35 -12.121 -10.296 -0.281 1.00 0.00 O ATOM 530 CB LYS A 35 -12.384 -7.002 -1.183 1.00 0.00 C ATOM 531 CG LYS A 35 -11.824 -5.595 -1.012 1.00 0.00 C ATOM 532 CD LYS A 35 -12.649 -4.781 -0.028 1.00 0.00 C ATOM 533 CE LYS A 35 -13.788 -4.054 -0.723 1.00 0.00 C ATOM 534 NZ LYS A 35 -13.316 -3.286 -1.910 1.00 0.00 N ATOM 0 H LYS A 35 -10.430 -7.001 0.749 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.146 -8.137 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.920 -7.462 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.452 -6.934 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.793 -5.653 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.806 -5.090 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.052 -5.439 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.007 -4.057 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.543 -4.776 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.268 -3.375 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.007 -2.544 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.397 -2.849 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.214 -3.929 -2.721 1.00 0.00 H new ATOM 548 N PRO A 36 -10.261 -9.182 -0.904 1.00 0.00 N ATOM 549 CA PRO A 36 -9.543 -10.388 -1.340 1.00 0.00 C ATOM 550 C PRO A 36 -9.458 -11.436 -0.232 1.00 0.00 C ATOM 551 O PRO A 36 -10.140 -11.328 0.787 1.00 0.00 O ATOM 552 CB PRO A 36 -8.147 -9.867 -1.702 1.00 0.00 C ATOM 553 CG PRO A 36 -8.340 -8.420 -1.987 1.00 0.00 C ATOM 554 CD PRO A 36 -9.448 -7.965 -1.083 1.00 0.00 C ATOM 0 HA PRO A 36 -10.046 -10.888 -2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.444 -10.018 -0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.743 -10.390 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.425 -7.859 -1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.599 -8.260 -3.033 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.065 -7.594 -0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.026 -7.157 -1.531 1.00 0.00 H new ATOM 562 N SER A 37 -8.624 -12.453 -0.436 1.00 0.00 N ATOM 563 CA SER A 37 -8.467 -13.517 0.553 1.00 0.00 C ATOM 564 C SER A 37 -6.996 -13.874 0.760 1.00 0.00 C ATOM 565 O SER A 37 -6.250 -14.057 -0.200 1.00 0.00 O ATOM 566 CB SER A 37 -9.245 -14.760 0.117 1.00 0.00 C ATOM 567 OG SER A 37 -9.123 -14.974 -1.278 1.00 0.00 O ATOM 0 H SER A 37 -8.050 -12.563 -1.272 1.00 0.00 H new ATOM 0 HA SER A 37 -8.865 -13.153 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.875 -15.632 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.297 -14.646 0.380 1.00 0.00 H new ATOM 0 HG SER A 37 -9.628 -15.775 -1.531 1.00 0.00 H new ATOM 573 N ALA A 38 -6.591 -13.978 2.025 1.00 0.00 N ATOM 574 CA ALA A 38 -5.212 -14.321 2.370 1.00 0.00 C ATOM 575 C ALA A 38 -4.218 -13.420 1.643 1.00 0.00 C ATOM 576 O ALA A 38 -3.178 -13.880 1.170 1.00 0.00 O ATOM 577 CB ALA A 38 -4.937 -15.781 2.047 1.00 0.00 C ATOM 0 H ALA A 38 -7.200 -13.829 2.830 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.084 -14.164 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.907 -16.024 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.615 -16.414 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.091 -15.953 0.982 1.00 0.00 H new ATOM 583 N ASP A 39 -4.547 -12.137 1.553 1.00 0.00 N ATOM 584 CA ASP A 39 -3.688 -11.172 0.878 1.00 0.00 C ATOM 585 C ASP A 39 -3.570 -9.885 1.691 1.00 0.00 C ATOM 586 O ASP A 39 -3.993 -9.828 2.846 1.00 0.00 O ATOM 587 CB ASP A 39 -4.243 -10.860 -0.514 1.00 0.00 C ATOM 588 CG ASP A 39 -4.662 -12.107 -1.267 1.00 0.00 C ATOM 589 OD1 ASP A 39 -4.041 -13.169 -1.050 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.611 -12.023 -2.074 1.00 0.00 O ATOM 0 H ASP A 39 -5.404 -11.740 1.940 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.694 -11.609 0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.100 -10.193 -0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.487 -10.328 -1.092 1.00 0.00 H new ATOM 595 N TYR A 40 -3.010 -8.848 1.073 1.00 0.00 N ATOM 596 CA TYR A 40 -2.854 -7.557 1.728 1.00 0.00 C ATOM 597 C TYR A 40 -3.123 -6.462 0.733 1.00 0.00 C ATOM 598 O TYR A 40 -2.641 -6.505 -0.387 1.00 0.00 O ATOM 599 CB TYR A 40 -1.445 -7.390 2.326 1.00 0.00 C ATOM 600 CG TYR A 40 -1.404 -7.576 3.827 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.698 -8.806 4.399 1.00 0.00 C ATOM 602 CD2 TYR A 40 -1.071 -6.522 4.672 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.660 -8.984 5.768 1.00 0.00 C ATOM 604 CE2 TYR A 40 -1.032 -6.694 6.043 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.326 -7.925 6.586 1.00 0.00 C ATOM 606 OH TYR A 40 -1.287 -8.099 7.951 1.00 0.00 O ATOM 0 H TYR A 40 -2.657 -8.879 0.117 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.568 -7.500 2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.773 -8.110 1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.069 -6.397 2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.961 -9.638 3.763 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.840 -5.555 4.250 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.891 -9.948 6.196 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.772 -5.866 6.686 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.034 -7.256 8.381 1.00 0.00 H new ATOM 616 N VAL A 41 -3.899 -5.488 1.144 1.00 0.00 N ATOM 617 CA VAL A 41 -4.228 -4.385 0.263 1.00 0.00 C ATOM 618 C VAL A 41 -3.407 -3.165 0.616 1.00 0.00 C ATOM 619 O VAL A 41 -3.321 -2.772 1.780 1.00 0.00 O ATOM 620 CB VAL A 41 -5.725 -4.051 0.299 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.471 -4.957 -0.666 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.267 -4.203 1.710 1.00 0.00 C ATOM 0 H VAL A 41 -4.313 -5.433 2.074 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.986 -4.695 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.870 -3.015 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.534 -4.719 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.090 -4.805 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.325 -5.997 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.330 -3.963 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.124 -5.230 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.736 -3.525 2.379 1.00 0.00 H new ATOM 632 N LEU A 42 -2.785 -2.580 -0.393 1.00 0.00 N ATOM 633 CA LEU A 42 -1.950 -1.419 -0.189 1.00 0.00 C ATOM 634 C LEU A 42 -2.620 -0.174 -0.711 1.00 0.00 C ATOM 635 O LEU A 42 -3.200 -0.178 -1.787 1.00 0.00 O ATOM 636 CB LEU A 42 -0.615 -1.592 -0.897 1.00 0.00 C ATOM 637 CG LEU A 42 0.317 -0.387 -0.804 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.576 -0.038 0.646 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.618 -0.686 -1.519 1.00 0.00 C ATOM 0 H LEU A 42 -2.845 -2.894 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.787 -1.316 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.107 -2.460 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.802 -1.809 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.158 0.469 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.242 0.823 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.367 0.202 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.040 -0.887 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.279 0.178 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.098 -1.548 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.415 -0.903 -2.568 1.00 0.00 H new ATOM 651 N SER A 43 -2.508 0.900 0.034 1.00 0.00 N ATOM 652 CA SER A 43 -3.082 2.156 -0.395 1.00 0.00 C ATOM 653 C SER A 43 -2.058 3.253 -0.321 1.00 0.00 C ATOM 654 O SER A 43 -1.039 3.129 0.352 1.00 0.00 O ATOM 655 CB SER A 43 -4.335 2.500 0.391 1.00 0.00 C ATOM 656 OG SER A 43 -4.195 3.706 1.120 1.00 0.00 O ATOM 0 H SER A 43 -2.029 0.932 0.934 1.00 0.00 H new ATOM 0 HA SER A 43 -3.387 2.050 -1.436 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.179 2.587 -0.294 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.565 1.686 1.079 1.00 0.00 H new ATOM 0 HG SER A 43 -5.069 3.983 1.466 1.00 0.00 H new ATOM 662 N VAL A 44 -2.311 4.311 -1.054 1.00 0.00 N ATOM 663 CA VAL A 44 -1.374 5.416 -1.088 1.00 0.00 C ATOM 664 C VAL A 44 -2.059 6.746 -1.350 1.00 0.00 C ATOM 665 O VAL A 44 -2.956 6.843 -2.189 1.00 0.00 O ATOM 666 CB VAL A 44 -0.286 5.177 -2.156 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.825 5.423 -3.559 1.00 0.00 C ATOM 668 CG2 VAL A 44 0.933 6.045 -1.886 1.00 0.00 C ATOM 0 H VAL A 44 -3.145 4.433 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.913 5.465 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 44 0.017 4.132 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.035 5.246 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.656 4.745 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.170 6.454 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.688 5.861 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.644 7.096 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.343 5.802 -0.906 1.00 0.00 H new ATOM 678 N ARG A 45 -1.599 7.778 -0.655 1.00 0.00 N ATOM 679 CA ARG A 45 -2.137 9.113 -0.847 1.00 0.00 C ATOM 680 C ARG A 45 -1.755 9.603 -2.232 1.00 0.00 C ATOM 681 O ARG A 45 -2.272 10.606 -2.723 1.00 0.00 O ATOM 682 CB ARG A 45 -1.590 10.078 0.210 1.00 0.00 C ATOM 683 CG ARG A 45 -2.243 11.450 0.174 1.00 0.00 C ATOM 684 CD ARG A 45 -1.252 12.549 0.521 1.00 0.00 C ATOM 685 NE ARG A 45 -1.924 13.794 0.886 1.00 0.00 N ATOM 686 CZ ARG A 45 -1.398 15.006 0.707 1.00 0.00 C ATOM 687 NH1 ARG A 45 -0.193 15.146 0.169 1.00 0.00 N ATOM 688 NH2 ARG A 45 -2.083 16.082 1.067 1.00 0.00 N ATOM 0 H ARG A 45 -0.858 7.714 0.043 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.222 9.076 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.734 9.642 1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.516 10.192 0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.656 11.631 -0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.077 11.476 0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.621 12.221 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.595 12.727 -0.330 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.853 13.732 1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.339 14.322 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.201 16.077 0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.010 15.982 1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.683 17.010 0.931 1.00 0.00 H new ATOM 702 N ASP A 46 -0.829 8.878 -2.854 1.00 0.00 N ATOM 703 CA ASP A 46 -0.351 9.229 -4.188 1.00 0.00 C ATOM 704 C ASP A 46 0.064 10.697 -4.239 1.00 0.00 C ATOM 705 O ASP A 46 1.177 11.045 -3.849 1.00 0.00 O ATOM 706 CB ASP A 46 -1.426 8.914 -5.240 1.00 0.00 C ATOM 707 CG ASP A 46 -1.055 9.387 -6.635 1.00 0.00 C ATOM 708 OD1 ASP A 46 -1.323 10.563 -6.956 1.00 0.00 O ATOM 709 OD2 ASP A 46 -0.506 8.577 -7.410 1.00 0.00 O ATOM 0 H ASP A 46 -0.395 8.045 -2.456 1.00 0.00 H new ATOM 0 HA ASP A 46 0.529 8.627 -4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.599 7.838 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.364 9.382 -4.942 1.00 0.00 H new ATOM 714 N THR A 47 -0.826 11.551 -4.717 1.00 0.00 N ATOM 715 CA THR A 47 -0.541 12.980 -4.816 1.00 0.00 C ATOM 716 C THR A 47 -1.592 13.822 -4.091 1.00 0.00 C ATOM 717 O THR A 47 -1.434 15.036 -3.956 1.00 0.00 O ATOM 718 CB THR A 47 -0.456 13.405 -6.283 1.00 0.00 C ATOM 719 OG1 THR A 47 -0.046 14.756 -6.390 1.00 0.00 O ATOM 720 CG2 THR A 47 -1.767 13.263 -7.026 1.00 0.00 C ATOM 0 H THR A 47 -1.754 11.283 -5.044 1.00 0.00 H new ATOM 0 HA THR A 47 0.420 13.154 -4.331 1.00 0.00 H new ATOM 0 HB THR A 47 0.273 12.733 -6.736 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.269 15.232 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.635 13.582 -8.060 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.086 12.221 -7.005 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.525 13.884 -6.549 1.00 0.00 H new ATOM 728 N GLN A 48 -2.657 13.179 -3.624 1.00 0.00 N ATOM 729 CA GLN A 48 -3.725 13.878 -2.910 1.00 0.00 C ATOM 730 C GLN A 48 -4.910 12.957 -2.664 1.00 0.00 C ATOM 731 O GLN A 48 -5.593 13.053 -1.645 1.00 0.00 O ATOM 732 CB GLN A 48 -4.178 15.119 -3.689 1.00 0.00 C ATOM 733 CG GLN A 48 -3.640 16.422 -3.121 1.00 0.00 C ATOM 734 CD GLN A 48 -4.700 17.504 -3.038 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.487 17.691 -3.966 1.00 0.00 O ATOM 736 NE2 GLN A 48 -4.724 18.224 -1.922 1.00 0.00 N ATOM 0 H GLN A 48 -2.806 12.175 -3.726 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.327 14.195 -1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.857 15.024 -4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.267 15.157 -3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.233 16.240 -2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.816 16.772 -3.743 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.052 18.034 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.414 18.967 -1.809 1.00 0.00 H new ATOM 745 N ALA A 49 -5.134 12.062 -3.606 1.00 0.00 N ATOM 746 CA ALA A 49 -6.226 11.100 -3.514 1.00 0.00 C ATOM 747 C ALA A 49 -5.697 9.728 -3.120 1.00 0.00 C ATOM 748 O ALA A 49 -4.580 9.360 -3.483 1.00 0.00 O ATOM 749 CB ALA A 49 -6.978 11.025 -4.834 1.00 0.00 C ATOM 0 H ALA A 49 -4.571 11.977 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.918 11.434 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.790 10.303 -4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.388 12.006 -5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.295 10.713 -5.624 1.00 0.00 H new ATOM 755 N VAL A 50 -6.495 8.974 -2.373 1.00 0.00 N ATOM 756 CA VAL A 50 -6.082 7.648 -1.936 1.00 0.00 C ATOM 757 C VAL A 50 -6.318 6.603 -3.015 1.00 0.00 C ATOM 758 O VAL A 50 -7.434 6.428 -3.502 1.00 0.00 O ATOM 759 CB VAL A 50 -6.809 7.210 -0.650 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.370 5.810 -0.238 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.547 8.202 0.467 1.00 0.00 C ATOM 0 H VAL A 50 -7.424 9.256 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.014 7.719 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.881 7.187 -0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.894 5.518 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.606 5.105 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.295 5.805 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.067 7.880 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.476 8.254 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.909 9.187 0.172 1.00 0.00 H new ATOM 771 N ARG A 51 -5.252 5.897 -3.361 1.00 0.00 N ATOM 772 CA ARG A 51 -5.317 4.843 -4.358 1.00 0.00 C ATOM 773 C ARG A 51 -5.032 3.504 -3.694 1.00 0.00 C ATOM 774 O ARG A 51 -3.892 3.211 -3.336 1.00 0.00 O ATOM 775 CB ARG A 51 -4.307 5.104 -5.474 1.00 0.00 C ATOM 776 CG ARG A 51 -4.559 6.391 -6.242 1.00 0.00 C ATOM 777 CD ARG A 51 -3.922 6.350 -7.622 1.00 0.00 C ATOM 778 NE ARG A 51 -4.803 6.901 -8.651 1.00 0.00 N ATOM 779 CZ ARG A 51 -4.790 8.175 -9.040 1.00 0.00 C ATOM 780 NH1 ARG A 51 -3.954 9.043 -8.482 1.00 0.00 N ATOM 781 NH2 ARG A 51 -5.621 8.583 -9.989 1.00 0.00 N ATOM 0 H ARG A 51 -4.324 6.038 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.315 4.824 -4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.306 5.139 -5.044 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.326 4.266 -6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.632 6.553 -6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.159 7.235 -5.680 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.988 6.912 -7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.671 5.320 -7.874 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.469 6.271 -9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.315 8.736 -7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.951 10.016 -8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.268 7.922 -10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.613 9.558 -10.289 1.00 0.00 H new ATOM 795 N HIS A 52 -6.073 2.706 -3.502 1.00 0.00 N ATOM 796 CA HIS A 52 -5.923 1.412 -2.851 1.00 0.00 C ATOM 797 C HIS A 52 -5.509 0.340 -3.845 1.00 0.00 C ATOM 798 O HIS A 52 -5.641 0.520 -5.054 1.00 0.00 O ATOM 799 CB HIS A 52 -7.227 1.022 -2.161 1.00 0.00 C ATOM 800 CG HIS A 52 -7.638 2.041 -1.159 1.00 0.00 C ATOM 801 ND1 HIS A 52 -7.100 2.086 0.101 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.449 3.118 -1.264 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.543 3.152 0.727 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.370 3.800 -0.075 1.00 0.00 N ATOM 0 H HIS A 52 -7.027 2.930 -3.786 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.134 1.496 -2.104 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.014 0.905 -2.906 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.106 0.056 -1.671 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.456 1.398 0.492 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.046 3.390 -2.122 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.276 3.450 1.730 1.00 0.00 H new ATOM 813 N TYR A 53 -4.985 -0.766 -3.329 1.00 0.00 N ATOM 814 CA TYR A 53 -4.521 -1.851 -4.176 1.00 0.00 C ATOM 815 C TYR A 53 -4.595 -3.197 -3.463 1.00 0.00 C ATOM 816 O TYR A 53 -4.548 -3.269 -2.237 1.00 0.00 O ATOM 817 CB TYR A 53 -3.074 -1.588 -4.594 1.00 0.00 C ATOM 818 CG TYR A 53 -2.789 -0.148 -4.961 1.00 0.00 C ATOM 819 CD1 TYR A 53 -3.243 0.378 -6.160 1.00 0.00 C ATOM 820 CD2 TYR A 53 -2.057 0.680 -4.115 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.980 1.686 -6.512 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.788 1.989 -4.462 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.250 2.487 -5.660 1.00 0.00 C ATOM 824 OH TYR A 53 -1.978 3.789 -6.008 1.00 0.00 O ATOM 0 H TYR A 53 -4.872 -0.932 -2.329 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.171 -1.892 -5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.413 -1.882 -3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.832 -2.224 -5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.813 -0.247 -6.831 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.694 0.293 -3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.344 2.080 -7.449 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.217 2.620 -3.797 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.082 4.032 -5.693 1.00 0.00 H new ATOM 834 N LYS A 54 -4.681 -4.258 -4.255 1.00 0.00 N ATOM 835 CA LYS A 54 -4.730 -5.616 -3.737 1.00 0.00 C ATOM 836 C LYS A 54 -3.381 -6.297 -3.942 1.00 0.00 C ATOM 837 O LYS A 54 -2.993 -6.597 -5.070 1.00 0.00 O ATOM 838 CB LYS A 54 -5.828 -6.422 -4.438 1.00 0.00 C ATOM 839 CG LYS A 54 -5.808 -7.907 -4.106 1.00 0.00 C ATOM 840 CD LYS A 54 -6.896 -8.661 -4.852 1.00 0.00 C ATOM 841 CE LYS A 54 -6.401 -9.174 -6.194 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.703 -10.484 -6.067 1.00 0.00 N ATOM 0 H LYS A 54 -4.719 -4.200 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.956 -5.572 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.799 -6.011 -4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.724 -6.299 -5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.834 -8.325 -4.362 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.941 -8.042 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.240 -9.499 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.753 -8.006 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.245 -9.277 -6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.723 -8.443 -6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.881 -10.503 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.384 -10.614 -5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.356 -11.252 -6.323 1.00 0.00 H new ATOM 856 N ILE A 55 -2.680 -6.552 -2.847 1.00 0.00 N ATOM 857 CA ILE A 55 -1.385 -7.212 -2.898 1.00 0.00 C ATOM 858 C ILE A 55 -1.600 -8.707 -2.715 1.00 0.00 C ATOM 859 O ILE A 55 -1.794 -9.183 -1.597 1.00 0.00 O ATOM 860 CB ILE A 55 -0.430 -6.679 -1.805 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.671 -5.187 -1.533 1.00 0.00 C ATOM 862 CG2 ILE A 55 1.021 -6.907 -2.186 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.392 -4.799 -0.102 1.00 0.00 C ATOM 0 H ILE A 55 -2.990 -6.309 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.922 -7.006 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.642 -7.236 -0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.038 -4.595 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.705 -4.941 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.669 -6.522 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.200 -7.975 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.238 -6.388 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.580 -3.733 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.043 -5.367 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.649 -5.016 0.137 1.00 0.00 H new ATOM 875 N TRP A 56 -1.615 -9.431 -3.824 1.00 0.00 N ATOM 876 CA TRP A 56 -1.870 -10.867 -3.801 1.00 0.00 C ATOM 877 C TRP A 56 -0.605 -11.672 -3.514 1.00 0.00 C ATOM 878 O TRP A 56 0.492 -11.308 -3.934 1.00 0.00 O ATOM 879 CB TRP A 56 -2.495 -11.283 -5.140 1.00 0.00 C ATOM 880 CG TRP A 56 -2.908 -12.721 -5.204 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.326 -13.498 -4.166 1.00 0.00 C ATOM 882 CD2 TRP A 56 -2.953 -13.551 -6.370 1.00 0.00 C ATOM 883 NE1 TRP A 56 -3.623 -14.763 -4.611 1.00 0.00 N ATOM 884 CE2 TRP A 56 -3.402 -14.821 -5.961 1.00 0.00 C ATOM 885 CE3 TRP A 56 -2.655 -13.345 -7.720 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -3.561 -15.878 -6.854 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -2.814 -14.394 -8.606 1.00 0.00 C ATOM 888 CH2 TRP A 56 -3.263 -15.648 -8.170 1.00 0.00 C ATOM 0 H TRP A 56 -1.453 -9.048 -4.755 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.563 -11.083 -2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.367 -10.657 -5.331 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.780 -11.086 -5.939 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.411 -13.167 -3.141 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -3.954 -15.534 -4.030 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -2.306 -12.383 -8.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.907 -16.845 -6.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.588 -14.245 -9.652 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.376 -16.448 -8.886 1.00 0.00 H new ATOM 899 N ARG A 57 -0.773 -12.770 -2.782 1.00 0.00 N ATOM 900 CA ARG A 57 0.340 -13.639 -2.427 1.00 0.00 C ATOM 901 C ARG A 57 0.509 -14.740 -3.469 1.00 0.00 C ATOM 902 O ARG A 57 -0.422 -15.050 -4.214 1.00 0.00 O ATOM 903 CB ARG A 57 0.109 -14.259 -1.047 1.00 0.00 C ATOM 904 CG ARG A 57 1.390 -14.522 -0.273 1.00 0.00 C ATOM 905 CD ARG A 57 1.126 -14.648 1.221 1.00 0.00 C ATOM 906 NE ARG A 57 1.709 -15.864 1.781 1.00 0.00 N ATOM 907 CZ ARG A 57 1.138 -17.065 1.708 1.00 0.00 C ATOM 908 NH1 ARG A 57 -0.031 -17.216 1.097 1.00 0.00 N ATOM 909 NH2 ARG A 57 1.736 -18.118 2.248 1.00 0.00 N ATOM 0 H ARG A 57 -1.676 -13.079 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 57 1.250 -13.039 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.528 -13.596 -0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.432 -15.198 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.856 -15.437 -0.639 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.096 -13.711 -0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.536 -13.779 1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.051 -14.646 1.400 1.00 0.00 H new ATOM 0 HE ARG A 57 2.608 -15.789 2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.497 -16.410 0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.463 -18.138 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.634 -18.008 2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.298 -19.038 2.192 1.00 0.00 H new ATOM 923 N ARG A 58 1.697 -15.328 -3.519 1.00 0.00 N ATOM 924 CA ARG A 58 1.981 -16.391 -4.474 1.00 0.00 C ATOM 925 C ARG A 58 1.838 -17.766 -3.825 1.00 0.00 C ATOM 926 O ARG A 58 2.438 -18.741 -4.277 1.00 0.00 O ATOM 927 CB ARG A 58 3.391 -16.224 -5.039 1.00 0.00 C ATOM 928 CG ARG A 58 3.428 -15.528 -6.392 1.00 0.00 C ATOM 929 CD ARG A 58 4.122 -16.382 -7.442 1.00 0.00 C ATOM 930 NE ARG A 58 4.998 -15.588 -8.301 1.00 0.00 N ATOM 931 CZ ARG A 58 4.559 -14.731 -9.219 1.00 0.00 C ATOM 932 NH1 ARG A 58 3.256 -14.550 -9.399 1.00 0.00 N ATOM 933 NH2 ARG A 58 5.423 -14.051 -9.958 1.00 0.00 N ATOM 0 H ARG A 58 2.479 -15.087 -2.910 1.00 0.00 H new ATOM 0 HA ARG A 58 1.257 -16.321 -5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.992 -15.654 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.854 -17.206 -5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.411 -15.307 -6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.947 -14.574 -6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.705 -17.160 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.373 -16.885 -8.054 1.00 0.00 H new ATOM 0 HE ARG A 58 6.006 -15.697 -8.190 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.586 -15.069 -8.832 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.925 -13.892 -10.104 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.425 -14.184 -9.823 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.086 -13.394 -10.662 1.00 0.00 H new ATOM 947 N ALA A 59 1.041 -17.839 -2.762 1.00 0.00 N ATOM 948 CA ALA A 59 0.822 -19.094 -2.054 1.00 0.00 C ATOM 949 C ALA A 59 2.145 -19.743 -1.654 1.00 0.00 C ATOM 950 O ALA A 59 2.222 -20.958 -1.471 1.00 0.00 O ATOM 951 CB ALA A 59 0.005 -20.047 -2.912 1.00 0.00 C ATOM 0 H ALA A 59 0.537 -17.042 -2.373 1.00 0.00 H new ATOM 0 HA ALA A 59 0.267 -18.873 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.151 -20.980 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.960 -19.594 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.540 -20.250 -3.840 1.00 0.00 H new ATOM 957 N GLY A 60 3.185 -18.924 -1.519 1.00 0.00 N ATOM 958 CA GLY A 60 4.488 -19.438 -1.144 1.00 0.00 C ATOM 959 C GLY A 60 5.479 -18.333 -0.830 1.00 0.00 C ATOM 960 O GLY A 60 6.681 -18.489 -1.046 1.00 0.00 O ATOM 0 H GLY A 60 3.147 -17.915 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.383 -20.086 -0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.879 -20.053 -1.954 1.00 0.00 H new ATOM 964 N GLY A 61 4.974 -17.215 -0.320 1.00 0.00 N ATOM 965 CA GLY A 61 5.837 -16.099 0.016 1.00 0.00 C ATOM 966 C GLY A 61 6.197 -15.255 -1.191 1.00 0.00 C ATOM 967 O GLY A 61 7.282 -15.400 -1.755 1.00 0.00 O ATOM 0 H GLY A 61 3.983 -17.062 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.342 -15.472 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.750 -16.477 0.476 1.00 0.00 H new ATOM 971 N ARG A 62 5.289 -14.368 -1.586 1.00 0.00 N ATOM 972 CA ARG A 62 5.516 -13.491 -2.731 1.00 0.00 C ATOM 973 C ARG A 62 4.289 -12.627 -3.006 1.00 0.00 C ATOM 974 O ARG A 62 3.225 -13.131 -3.365 1.00 0.00 O ATOM 975 CB ARG A 62 5.884 -14.305 -3.975 1.00 0.00 C ATOM 976 CG ARG A 62 7.273 -13.999 -4.511 1.00 0.00 C ATOM 977 CD ARG A 62 7.357 -14.233 -6.011 1.00 0.00 C ATOM 978 NE ARG A 62 8.230 -13.264 -6.668 1.00 0.00 N ATOM 979 CZ ARG A 62 8.757 -13.441 -7.878 1.00 0.00 C ATOM 980 NH1 ARG A 62 8.500 -14.547 -8.565 1.00 0.00 N ATOM 981 NH2 ARG A 62 9.541 -12.509 -8.403 1.00 0.00 N ATOM 0 H ARG A 62 4.387 -14.237 -1.129 1.00 0.00 H new ATOM 0 HA ARG A 62 6.351 -12.834 -2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.821 -15.367 -3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.150 -14.110 -4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.530 -12.963 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.006 -14.625 -4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.727 -15.241 -6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.358 -14.173 -6.444 1.00 0.00 H new ATOM 0 HE ARG A 62 8.449 -12.401 -6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.896 -15.266 -8.167 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.906 -14.678 -9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.740 -11.656 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.945 -12.645 -9.330 1.00 0.00 H new ATOM 995 N LEU A 63 4.454 -11.321 -2.830 1.00 0.00 N ATOM 996 CA LEU A 63 3.377 -10.365 -3.048 1.00 0.00 C ATOM 997 C LEU A 63 3.472 -9.740 -4.430 1.00 0.00 C ATOM 998 O LEU A 63 4.564 -9.497 -4.941 1.00 0.00 O ATOM 999 CB LEU A 63 3.424 -9.261 -1.993 1.00 0.00 C ATOM 1000 CG LEU A 63 2.792 -9.628 -0.653 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.354 -10.076 -0.856 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.605 -10.716 0.034 1.00 0.00 C ATOM 0 H LEU A 63 5.333 -10.898 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 63 2.434 -10.906 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.464 -8.984 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.919 -8.379 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 63 2.790 -8.747 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.914 -10.335 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.782 -9.267 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.333 -10.947 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.143 -10.968 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.635 -11.602 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.620 -10.358 0.206 1.00 0.00 H new ATOM 1014 N HIS A 64 2.319 -9.461 -5.019 1.00 0.00 N ATOM 1015 CA HIS A 64 2.266 -8.843 -6.330 1.00 0.00 C ATOM 1016 C HIS A 64 0.948 -8.102 -6.521 1.00 0.00 C ATOM 1017 O HIS A 64 -0.087 -8.710 -6.799 1.00 0.00 O ATOM 1018 CB HIS A 64 2.470 -9.881 -7.438 1.00 0.00 C ATOM 1019 CG HIS A 64 1.630 -11.116 -7.306 1.00 0.00 C ATOM 1020 ND1 HIS A 64 1.903 -12.280 -7.993 1.00 0.00 N ATOM 1021 CD2 HIS A 64 0.524 -11.368 -6.568 1.00 0.00 C ATOM 1022 CE1 HIS A 64 1.001 -13.194 -7.685 1.00 0.00 C ATOM 1023 NE2 HIS A 64 0.155 -12.668 -6.821 1.00 0.00 N ATOM 0 H HIS A 64 1.406 -9.654 -4.606 1.00 0.00 H new ATOM 0 HA HIS A 64 3.079 -8.120 -6.395 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.255 -9.413 -8.399 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.520 -10.173 -7.454 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.025 -10.677 -5.905 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.963 -14.201 -8.074 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.644 -13.148 -6.407 1.00 0.00 H new ATOM 1032 N LEU A 65 0.988 -6.781 -6.372 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.210 -5.969 -6.539 1.00 0.00 C ATOM 1034 C LEU A 65 -0.695 -6.063 -7.976 1.00 0.00 C ATOM 1035 O LEU A 65 -1.888 -5.955 -8.261 1.00 0.00 O ATOM 1036 CB LEU A 65 0.066 -4.510 -6.173 1.00 0.00 C ATOM 1037 CG LEU A 65 0.351 -4.259 -4.693 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.740 -4.755 -4.335 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.210 -2.780 -4.360 1.00 0.00 C ATOM 0 H LEU A 65 1.830 -6.255 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.983 -6.348 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.918 -4.160 -6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.793 -3.908 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.380 -4.811 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.931 -4.570 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.807 -5.824 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.481 -4.227 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.417 -2.624 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.917 -2.204 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.805 -2.452 -4.583 1.00 0.00 H new ATOM 1051 N ASN A 66 0.256 -6.278 -8.869 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.020 -6.411 -10.291 1.00 0.00 C ATOM 1053 C ASN A 66 0.881 -7.480 -10.898 1.00 0.00 C ATOM 1054 O ASN A 66 1.794 -7.981 -10.239 1.00 0.00 O ATOM 1055 CB ASN A 66 0.192 -5.074 -11.004 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.865 -4.805 -12.056 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -0.561 -4.694 -13.244 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -2.117 -4.702 -11.625 1.00 0.00 N ATOM 0 H ASN A 66 1.243 -6.366 -8.629 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.060 -6.710 -10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.183 -4.269 -10.270 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.176 -5.067 -11.472 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.872 -4.524 -12.288 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.324 -4.801 -10.631 1.00 0.00 H new ATOM 1065 N GLU A 67 0.629 -7.826 -12.155 1.00 0.00 N ATOM 1066 CA GLU A 67 1.419 -8.838 -12.848 1.00 0.00 C ATOM 1067 C GLU A 67 2.779 -8.282 -13.257 1.00 0.00 C ATOM 1068 O GLU A 67 3.201 -8.421 -14.404 1.00 0.00 O ATOM 1069 CB GLU A 67 0.667 -9.346 -14.079 1.00 0.00 C ATOM 1070 CG GLU A 67 -0.540 -10.204 -13.742 1.00 0.00 C ATOM 1071 CD GLU A 67 -1.854 -9.497 -14.011 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -2.052 -9.026 -15.151 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -2.686 -9.414 -13.083 1.00 0.00 O ATOM 0 H GLU A 67 -0.119 -7.419 -12.717 1.00 0.00 H new ATOM 0 HA GLU A 67 1.581 -9.670 -12.163 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.341 -8.492 -14.673 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.351 -9.924 -14.700 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.501 -11.124 -14.325 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.495 -10.491 -12.691 1.00 0.00 H new ATOM 1080 N ALA A 68 3.457 -7.649 -12.307 1.00 0.00 N ATOM 1081 CA ALA A 68 4.770 -7.067 -12.566 1.00 0.00 C ATOM 1082 C ALA A 68 5.533 -6.765 -11.275 1.00 0.00 C ATOM 1083 O ALA A 68 6.764 -6.787 -11.260 1.00 0.00 O ATOM 1084 CB ALA A 68 4.624 -5.801 -13.396 1.00 0.00 C ATOM 0 H ALA A 68 3.121 -7.525 -11.352 1.00 0.00 H new ATOM 0 HA ALA A 68 5.350 -7.804 -13.121 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.609 -5.374 -13.584 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.145 -6.041 -14.345 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.013 -5.079 -12.854 1.00 0.00 H new ATOM 1090 N VAL A 69 4.808 -6.472 -10.196 1.00 0.00 N ATOM 1091 CA VAL A 69 5.446 -6.157 -8.920 1.00 0.00 C ATOM 1092 C VAL A 69 5.458 -7.360 -7.977 1.00 0.00 C ATOM 1093 O VAL A 69 4.973 -7.279 -6.849 1.00 0.00 O ATOM 1094 CB VAL A 69 4.741 -4.978 -8.218 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.812 -3.724 -9.073 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.295 -5.329 -7.897 1.00 0.00 C ATOM 0 H VAL A 69 3.788 -6.446 -10.180 1.00 0.00 H new ATOM 0 HA VAL A 69 6.475 -5.880 -9.151 1.00 0.00 H new ATOM 0 HB VAL A 69 5.260 -4.781 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.309 -2.905 -8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.855 -3.459 -9.244 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.323 -3.908 -10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.817 -4.484 -7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.763 -5.558 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.269 -6.197 -7.238 1.00 0.00 H new ATOM 1106 N SER A 70 6.020 -8.470 -8.441 1.00 0.00 N ATOM 1107 CA SER A 70 6.091 -9.679 -7.626 1.00 0.00 C ATOM 1108 C SER A 70 7.314 -9.652 -6.713 1.00 0.00 C ATOM 1109 O SER A 70 8.437 -9.441 -7.170 1.00 0.00 O ATOM 1110 CB SER A 70 6.131 -10.922 -8.518 1.00 0.00 C ATOM 1111 OG SER A 70 6.702 -10.626 -9.780 1.00 0.00 O ATOM 0 H SER A 70 6.431 -8.559 -9.370 1.00 0.00 H new ATOM 0 HA SER A 70 5.197 -9.718 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.709 -11.706 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.121 -11.308 -8.654 1.00 0.00 H new ATOM 0 HG SER A 70 6.718 -11.437 -10.330 1.00 0.00 H new ATOM 1117 N PHE A 71 7.085 -9.858 -5.418 1.00 0.00 N ATOM 1118 CA PHE A 71 8.171 -9.849 -4.440 1.00 0.00 C ATOM 1119 C PHE A 71 7.826 -10.669 -3.206 1.00 0.00 C ATOM 1120 O PHE A 71 6.787 -10.475 -2.583 1.00 0.00 O ATOM 1121 CB PHE A 71 8.506 -8.415 -4.042 1.00 0.00 C ATOM 1122 CG PHE A 71 9.525 -7.777 -4.940 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.879 -7.978 -4.727 1.00 0.00 C ATOM 1124 CD2 PHE A 71 9.129 -6.980 -6.003 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.820 -7.397 -5.556 1.00 0.00 C ATOM 1126 CE2 PHE A 71 10.064 -6.397 -6.835 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.412 -6.604 -6.611 1.00 0.00 C ATOM 0 H PHE A 71 6.161 -10.033 -5.022 1.00 0.00 H new ATOM 0 HA PHE A 71 9.042 -10.308 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.594 -7.818 -4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.877 -8.406 -3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 71 11.203 -8.596 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.077 -6.813 -6.182 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.872 -7.563 -5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.742 -5.779 -7.661 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.145 -6.147 -7.259 1.00 0.00 H new ATOM 1137 N LEU A 72 8.734 -11.581 -2.873 1.00 0.00 N ATOM 1138 CA LEU A 72 8.617 -12.478 -1.721 1.00 0.00 C ATOM 1139 C LEU A 72 7.710 -11.939 -0.609 1.00 0.00 C ATOM 1140 O LEU A 72 6.954 -12.695 0.001 1.00 0.00 O ATOM 1141 CB LEU A 72 10.010 -12.726 -1.154 1.00 0.00 C ATOM 1142 CG LEU A 72 10.899 -11.482 -1.115 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.628 -10.675 0.148 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.367 -11.869 -1.200 1.00 0.00 C ATOM 0 H LEU A 72 9.592 -11.723 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 72 8.155 -13.398 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.914 -13.123 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.503 -13.493 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 72 10.661 -10.861 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.268 -9.793 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.583 -10.365 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.838 -11.289 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.983 -10.970 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.623 -12.512 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.549 -12.403 -2.133 1.00 0.00 H new ATOM 1156 N SER A 73 7.799 -10.642 -0.332 1.00 0.00 N ATOM 1157 CA SER A 73 6.993 -10.036 0.722 1.00 0.00 C ATOM 1158 C SER A 73 6.670 -8.581 0.412 1.00 0.00 C ATOM 1159 O SER A 73 7.146 -8.025 -0.578 1.00 0.00 O ATOM 1160 CB SER A 73 7.724 -10.130 2.064 1.00 0.00 C ATOM 1161 OG SER A 73 6.848 -9.849 3.142 1.00 0.00 O ATOM 0 H SER A 73 8.417 -9.994 -0.819 1.00 0.00 H new ATOM 0 HA SER A 73 6.054 -10.586 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.144 -11.128 2.184 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.559 -9.429 2.077 1.00 0.00 H new ATOM 0 HG SER A 73 7.338 -9.917 3.988 1.00 0.00 H new ATOM 1167 N LEU A 74 5.855 -7.967 1.270 1.00 0.00 N ATOM 1168 CA LEU A 74 5.471 -6.573 1.088 1.00 0.00 C ATOM 1169 C LEU A 74 6.706 -5.678 0.991 1.00 0.00 C ATOM 1170 O LEU A 74 6.929 -5.027 -0.027 1.00 0.00 O ATOM 1171 CB LEU A 74 4.588 -6.090 2.239 1.00 0.00 C ATOM 1172 CG LEU A 74 3.154 -5.722 1.852 1.00 0.00 C ATOM 1173 CD1 LEU A 74 3.109 -5.080 0.471 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.257 -6.949 1.904 1.00 0.00 C ATOM 0 H LEU A 74 5.451 -8.413 2.093 1.00 0.00 H new ATOM 0 HA LEU A 74 4.906 -6.510 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.553 -6.869 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.059 -5.219 2.696 1.00 0.00 H new ATOM 0 HG LEU A 74 2.784 -4.993 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.079 -4.828 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.714 -4.174 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.502 -5.778 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.241 -6.669 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.629 -7.701 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.257 -7.357 2.915 1.00 0.00 H new ATOM 1186 N PRO A 75 7.527 -5.632 2.065 1.00 0.00 N ATOM 1187 CA PRO A 75 8.740 -4.816 2.118 1.00 0.00 C ATOM 1188 C PRO A 75 9.480 -4.777 0.787 1.00 0.00 C ATOM 1189 O PRO A 75 9.855 -3.707 0.307 1.00 0.00 O ATOM 1190 CB PRO A 75 9.597 -5.504 3.196 1.00 0.00 C ATOM 1191 CG PRO A 75 8.763 -6.622 3.750 1.00 0.00 C ATOM 1192 CD PRO A 75 7.345 -6.366 3.319 1.00 0.00 C ATOM 0 HA PRO A 75 8.513 -3.774 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.525 -5.886 2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.873 -4.800 3.981 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.112 -7.585 3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.836 -6.656 4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.791 -7.293 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.795 -5.781 4.056 1.00 0.00 H new ATOM 1200 N GLU A 76 9.674 -5.945 0.184 1.00 0.00 N ATOM 1201 CA GLU A 76 10.354 -6.023 -1.100 1.00 0.00 C ATOM 1202 C GLU A 76 9.416 -5.565 -2.207 1.00 0.00 C ATOM 1203 O GLU A 76 9.813 -4.833 -3.114 1.00 0.00 O ATOM 1204 CB GLU A 76 10.837 -7.448 -1.366 1.00 0.00 C ATOM 1205 CG GLU A 76 11.774 -7.979 -0.295 1.00 0.00 C ATOM 1206 CD GLU A 76 12.928 -7.037 -0.008 1.00 0.00 C ATOM 1207 OE1 GLU A 76 12.737 -6.087 0.780 1.00 0.00 O ATOM 1208 OE2 GLU A 76 14.022 -7.248 -0.574 1.00 0.00 O ATOM 0 H GLU A 76 9.372 -6.843 0.562 1.00 0.00 H new ATOM 0 HA GLU A 76 11.225 -5.368 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.973 -8.108 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.346 -7.477 -2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.211 -8.148 0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.169 -8.945 -0.610 1.00 0.00 H new ATOM 1215 N LEU A 77 8.162 -5.990 -2.109 1.00 0.00 N ATOM 1216 CA LEU A 77 7.144 -5.617 -3.083 1.00 0.00 C ATOM 1217 C LEU A 77 7.034 -4.097 -3.177 1.00 0.00 C ATOM 1218 O LEU A 77 7.069 -3.527 -4.268 1.00 0.00 O ATOM 1219 CB LEU A 77 5.795 -6.245 -2.695 1.00 0.00 C ATOM 1220 CG LEU A 77 4.532 -5.511 -3.170 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.222 -4.328 -2.261 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.674 -5.060 -4.620 1.00 0.00 C ATOM 0 H LEU A 77 7.825 -6.596 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 77 7.430 -5.995 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.767 -7.261 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.755 -6.323 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 77 3.696 -6.209 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.324 -3.822 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.061 -4.684 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.060 -3.631 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.766 -4.543 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.525 -4.384 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.833 -5.930 -5.258 1.00 0.00 H new ATOM 1234 N VAL A 78 6.914 -3.447 -2.026 1.00 0.00 N ATOM 1235 CA VAL A 78 6.813 -1.998 -1.982 1.00 0.00 C ATOM 1236 C VAL A 78 8.133 -1.365 -2.417 1.00 0.00 C ATOM 1237 O VAL A 78 8.155 -0.272 -2.981 1.00 0.00 O ATOM 1238 CB VAL A 78 6.433 -1.502 -0.568 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.483 0.017 -0.489 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.048 -2.006 -0.176 1.00 0.00 C ATOM 0 H VAL A 78 6.885 -3.901 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 78 6.023 -1.697 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 78 7.163 -1.904 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.211 0.338 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.492 0.360 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.782 0.442 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.799 -1.646 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.311 -1.637 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.043 -3.096 -0.181 1.00 0.00 H new ATOM 1250 N ASN A 79 9.234 -2.071 -2.160 1.00 0.00 N ATOM 1251 CA ASN A 79 10.558 -1.587 -2.535 1.00 0.00 C ATOM 1252 C ASN A 79 10.607 -1.253 -4.021 1.00 0.00 C ATOM 1253 O ASN A 79 11.205 -0.257 -4.427 1.00 0.00 O ATOM 1254 CB ASN A 79 11.622 -2.633 -2.198 1.00 0.00 C ATOM 1255 CG ASN A 79 12.912 -2.009 -1.706 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.263 -0.894 -2.093 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.626 -2.725 -0.845 1.00 0.00 N ATOM 0 H ASN A 79 9.233 -2.978 -1.694 1.00 0.00 H new ATOM 0 HA ASN A 79 10.763 -0.679 -1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.235 -3.308 -1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.828 -3.236 -3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.503 -2.355 -0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.298 -3.645 -0.551 1.00 0.00 H new ATOM 1264 N TYR A 80 9.960 -2.085 -4.829 1.00 0.00 N ATOM 1265 CA TYR A 80 9.913 -1.870 -6.269 1.00 0.00 C ATOM 1266 C TYR A 80 8.897 -0.784 -6.605 1.00 0.00 C ATOM 1267 O TYR A 80 9.032 -0.076 -7.603 1.00 0.00 O ATOM 1268 CB TYR A 80 9.550 -3.168 -6.990 1.00 0.00 C ATOM 1269 CG TYR A 80 9.731 -3.103 -8.489 1.00 0.00 C ATOM 1270 CD1 TYR A 80 8.863 -2.365 -9.284 1.00 0.00 C ATOM 1271 CD2 TYR A 80 10.772 -3.782 -9.111 1.00 0.00 C ATOM 1272 CE1 TYR A 80 9.028 -2.305 -10.655 1.00 0.00 C ATOM 1273 CE2 TYR A 80 10.944 -3.726 -10.481 1.00 0.00 C ATOM 1274 CZ TYR A 80 10.070 -2.987 -11.248 1.00 0.00 C ATOM 1275 OH TYR A 80 10.237 -2.930 -12.613 1.00 0.00 O ATOM 0 H TYR A 80 9.461 -2.915 -4.510 1.00 0.00 H new ATOM 0 HA TYR A 80 10.899 -1.548 -6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.164 -3.977 -6.594 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.512 -3.418 -6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.046 -1.829 -8.823 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.458 -4.363 -8.513 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.344 -1.727 -11.259 1.00 0.00 H new ATOM 0 HE2 TYR A 80 11.759 -4.259 -10.948 1.00 0.00 H new ATOM 0 HH TYR A 80 11.018 -3.464 -12.870 1.00 0.00 H new ATOM 1285 N HIS A 81 7.882 -0.661 -5.756 1.00 0.00 N ATOM 1286 CA HIS A 81 6.837 0.335 -5.943 1.00 0.00 C ATOM 1287 C HIS A 81 7.387 1.745 -5.727 1.00 0.00 C ATOM 1288 O HIS A 81 6.921 2.703 -6.344 1.00 0.00 O ATOM 1289 CB HIS A 81 5.687 0.081 -4.960 1.00 0.00 C ATOM 1290 CG HIS A 81 4.562 -0.731 -5.523 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.257 -0.764 -6.865 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.666 -1.546 -4.914 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.226 -1.565 -7.062 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.849 -2.052 -5.896 1.00 0.00 N ATOM 0 H HIS A 81 7.762 -1.243 -4.927 1.00 0.00 H new ATOM 0 HA HIS A 81 6.469 0.254 -6.966 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.082 -0.428 -4.081 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.294 1.040 -4.623 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.751 -0.249 -7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.606 -1.758 -3.857 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.769 -1.784 -8.016 1.00 0.00 H new ATOM 1303 N ARG A 82 8.371 1.868 -4.835 1.00 0.00 N ATOM 1304 CA ARG A 82 8.966 3.166 -4.531 1.00 0.00 C ATOM 1305 C ARG A 82 9.901 3.622 -5.630 1.00 0.00 C ATOM 1306 O ARG A 82 9.895 4.784 -6.033 1.00 0.00 O ATOM 1307 CB ARG A 82 9.710 3.125 -3.192 1.00 0.00 C ATOM 1308 CG ARG A 82 11.174 2.732 -3.309 1.00 0.00 C ATOM 1309 CD ARG A 82 11.792 2.451 -1.949 1.00 0.00 C ATOM 1310 NE ARG A 82 12.672 3.534 -1.515 1.00 0.00 N ATOM 1311 CZ ARG A 82 13.913 3.706 -1.965 1.00 0.00 C ATOM 1312 NH1 ARG A 82 14.424 2.871 -2.861 1.00 0.00 N ATOM 1313 NH2 ARG A 82 14.646 4.716 -1.518 1.00 0.00 N ATOM 0 H ARG A 82 8.770 1.087 -4.314 1.00 0.00 H new ATOM 0 HA ARG A 82 8.151 3.886 -4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.644 4.106 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.207 2.420 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.264 1.847 -3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.727 3.532 -3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.001 2.310 -1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.357 1.520 -1.993 1.00 0.00 H new ATOM 0 HE ARG A 82 12.314 4.197 -0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.865 2.092 -3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.376 3.008 -3.202 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.259 5.361 -0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.597 4.848 -1.863 1.00 0.00 H new ATOM 1327 N ALA A 83 10.697 2.702 -6.111 1.00 0.00 N ATOM 1328 CA ALA A 83 11.632 3.006 -7.173 1.00 0.00 C ATOM 1329 C ALA A 83 10.871 3.228 -8.465 1.00 0.00 C ATOM 1330 O ALA A 83 10.892 4.315 -9.038 1.00 0.00 O ATOM 1331 CB ALA A 83 12.645 1.881 -7.332 1.00 0.00 C ATOM 0 H ALA A 83 10.719 1.735 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 83 12.178 3.915 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.340 2.128 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.197 1.754 -6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.125 0.954 -7.574 1.00 0.00 H new ATOM 1337 N GLN A 84 10.193 2.181 -8.908 1.00 0.00 N ATOM 1338 CA GLN A 84 9.401 2.236 -10.127 1.00 0.00 C ATOM 1339 C GLN A 84 7.917 2.472 -9.843 1.00 0.00 C ATOM 1340 O GLN A 84 7.315 1.774 -9.027 1.00 0.00 O ATOM 1341 CB GLN A 84 9.578 0.947 -10.933 1.00 0.00 C ATOM 1342 CG GLN A 84 9.645 1.175 -12.435 1.00 0.00 C ATOM 1343 CD GLN A 84 11.067 1.188 -12.959 1.00 0.00 C ATOM 1344 OE1 GLN A 84 11.386 0.514 -13.939 1.00 0.00 O ATOM 1345 NE2 GLN A 84 11.931 1.956 -12.306 1.00 0.00 N ATOM 0 H GLN A 84 10.176 1.276 -8.437 1.00 0.00 H new ATOM 0 HA GLN A 84 9.764 3.084 -10.708 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.491 0.447 -10.608 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.750 0.273 -10.712 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.081 0.392 -12.943 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.164 2.123 -12.677 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.623 2.498 -11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.903 2.004 -12.612 1.00 0.00 H new ATOM 1354 N SER A 85 7.323 3.419 -10.562 1.00 0.00 N ATOM 1355 CA SER A 85 5.894 3.704 -10.435 1.00 0.00 C ATOM 1356 C SER A 85 5.138 2.936 -11.526 1.00 0.00 C ATOM 1357 O SER A 85 4.117 3.397 -12.035 1.00 0.00 O ATOM 1358 CB SER A 85 5.634 5.206 -10.573 1.00 0.00 C ATOM 1359 OG SER A 85 6.846 5.940 -10.556 1.00 0.00 O ATOM 0 H SER A 85 7.809 4.005 -11.241 1.00 0.00 H new ATOM 0 HA SER A 85 5.546 3.388 -9.452 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.101 5.401 -11.503 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.991 5.543 -9.760 1.00 0.00 H new ATOM 0 HG SER A 85 6.651 6.896 -10.647 1.00 0.00 H new ATOM 1365 N LEU A 86 5.690 1.774 -11.894 1.00 0.00 N ATOM 1366 CA LEU A 86 5.149 0.907 -12.946 1.00 0.00 C ATOM 1367 C LEU A 86 3.636 1.047 -13.144 1.00 0.00 C ATOM 1368 O LEU A 86 3.176 1.290 -14.259 1.00 0.00 O ATOM 1369 CB LEU A 86 5.538 -0.555 -12.666 1.00 0.00 C ATOM 1370 CG LEU A 86 4.581 -1.365 -11.785 1.00 0.00 C ATOM 1371 CD1 LEU A 86 4.795 -2.855 -12.008 1.00 0.00 C ATOM 1372 CD2 LEU A 86 4.781 -1.010 -10.319 1.00 0.00 C ATOM 0 H LEU A 86 6.537 1.405 -11.463 1.00 0.00 H new ATOM 0 HA LEU A 86 5.595 1.234 -13.885 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.638 -1.069 -13.622 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.521 -0.561 -12.196 1.00 0.00 H new ATOM 0 HG LEU A 86 3.556 -1.117 -12.062 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.109 -3.420 -11.376 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.607 -3.097 -13.054 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.822 -3.117 -11.753 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.094 -1.594 -9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.807 -1.234 -10.027 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.585 0.052 -10.172 1.00 0.00 H new ATOM 1384 N SER A 87 2.865 0.883 -12.077 1.00 0.00 N ATOM 1385 CA SER A 87 1.414 0.986 -12.177 1.00 0.00 C ATOM 1386 C SER A 87 0.783 1.244 -10.817 1.00 0.00 C ATOM 1387 O SER A 87 -0.386 0.926 -10.594 1.00 0.00 O ATOM 1388 CB SER A 87 0.834 -0.293 -12.785 1.00 0.00 C ATOM 1389 OG SER A 87 1.751 -0.893 -13.681 1.00 0.00 O ATOM 0 H SER A 87 3.215 0.680 -11.141 1.00 0.00 H new ATOM 0 HA SER A 87 1.183 1.831 -12.825 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.584 -0.996 -11.990 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.093 -0.062 -13.309 1.00 0.00 H new ATOM 0 HG SER A 87 2.122 -0.209 -14.276 1.00 0.00 H new ATOM 1395 N HIS A 88 1.556 1.828 -9.911 1.00 0.00 N ATOM 1396 CA HIS A 88 1.065 2.134 -8.579 1.00 0.00 C ATOM 1397 C HIS A 88 0.932 3.641 -8.402 1.00 0.00 C ATOM 1398 O HIS A 88 1.822 4.400 -8.783 1.00 0.00 O ATOM 1399 CB HIS A 88 1.996 1.537 -7.519 1.00 0.00 C ATOM 1400 CG HIS A 88 1.606 1.875 -6.116 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.410 0.921 -5.142 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.372 3.068 -5.526 1.00 0.00 C ATOM 1403 CE1 HIS A 88 1.072 1.516 -4.013 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.043 2.819 -4.221 1.00 0.00 N ATOM 0 H HIS A 88 2.525 2.098 -10.077 1.00 0.00 H new ATOM 0 HA HIS A 88 0.079 1.687 -8.454 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.011 0.453 -7.631 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.011 1.891 -7.699 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.510 -0.086 -5.272 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.433 4.038 -5.997 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.856 1.021 -3.078 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.196 4.065 -7.842 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.451 5.481 -7.639 1.00 0.00 C ATOM 1415 C GLY A 89 0.675 6.201 -6.925 1.00 0.00 C ATOM 1416 O GLY A 89 0.638 6.371 -5.706 1.00 0.00 O ATOM 0 H GLY A 89 -0.944 3.449 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.619 5.954 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.369 5.598 -7.063 1.00 0.00 H new ATOM 1420 N LEU A 90 1.673 6.633 -7.689 1.00 0.00 N ATOM 1421 CA LEU A 90 2.817 7.351 -7.138 1.00 0.00 C ATOM 1422 C LEU A 90 3.752 6.400 -6.406 1.00 0.00 C ATOM 1423 O LEU A 90 3.311 5.518 -5.671 1.00 0.00 O ATOM 1424 CB LEU A 90 2.355 8.477 -6.202 1.00 0.00 C ATOM 1425 CG LEU A 90 2.773 9.884 -6.637 1.00 0.00 C ATOM 1426 CD1 LEU A 90 1.604 10.627 -7.264 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.342 10.665 -5.460 1.00 0.00 C ATOM 0 H LEU A 90 1.712 6.497 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 90 3.365 7.798 -7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.268 8.443 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.752 8.287 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 90 3.554 9.788 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.926 11.624 -7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.252 10.080 -8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.795 10.711 -6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.633 11.662 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.586 10.748 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.215 10.145 -5.066 1.00 0.00 H new ATOM 1439 N ARG A 91 5.048 6.583 -6.625 1.00 0.00 N ATOM 1440 CA ARG A 91 6.054 5.738 -6.000 1.00 0.00 C ATOM 1441 C ARG A 91 5.968 5.801 -4.478 1.00 0.00 C ATOM 1442 O ARG A 91 5.978 6.878 -3.882 1.00 0.00 O ATOM 1443 CB ARG A 91 7.449 6.141 -6.471 1.00 0.00 C ATOM 1444 CG ARG A 91 7.887 5.425 -7.737 1.00 0.00 C ATOM 1445 CD ARG A 91 8.990 6.184 -8.452 1.00 0.00 C ATOM 1446 NE ARG A 91 8.566 7.521 -8.863 1.00 0.00 N ATOM 1447 CZ ARG A 91 9.217 8.261 -9.757 1.00 0.00 C ATOM 1448 NH1 ARG A 91 10.320 7.801 -10.334 1.00 0.00 N ATOM 1449 NH2 ARG A 91 8.763 9.465 -10.076 1.00 0.00 N ATOM 0 H ARG A 91 5.426 7.310 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 91 5.861 4.708 -6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.469 7.217 -6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.167 5.933 -5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.236 4.423 -7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.033 5.308 -8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.856 6.266 -7.796 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.307 5.620 -9.329 1.00 0.00 H new ATOM 0 HE ARG A 91 7.723 7.909 -8.440 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.674 6.875 -10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.814 8.373 -11.019 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.915 9.823 -9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.261 10.033 -10.761 1.00 0.00 H new ATOM 1463 N LEU A 92 5.883 4.628 -3.865 1.00 0.00 N ATOM 1464 CA LEU A 92 5.792 4.508 -2.410 1.00 0.00 C ATOM 1465 C LEU A 92 6.988 5.155 -1.725 1.00 0.00 C ATOM 1466 O LEU A 92 8.048 4.551 -1.583 1.00 0.00 O ATOM 1467 CB LEU A 92 5.652 3.046 -2.047 1.00 0.00 C ATOM 1468 CG LEU A 92 4.459 2.398 -2.734 1.00 0.00 C ATOM 1469 CD1 LEU A 92 4.301 0.946 -2.326 1.00 0.00 C ATOM 1470 CD2 LEU A 92 3.193 3.185 -2.436 1.00 0.00 C ATOM 0 H LEU A 92 5.875 3.734 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 92 4.912 5.044 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.562 2.515 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.544 2.950 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 92 4.638 2.414 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.439 0.516 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.198 0.391 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.152 0.885 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.345 2.712 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.020 3.202 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.305 4.206 -2.802 1.00 0.00 H new ATOM 1482 N ALA A 93 6.799 6.407 -1.328 1.00 0.00 N ATOM 1483 CA ALA A 93 7.858 7.190 -0.685 1.00 0.00 C ATOM 1484 C ALA A 93 7.911 6.999 0.833 1.00 0.00 C ATOM 1485 O ALA A 93 8.714 6.214 1.337 1.00 0.00 O ATOM 1486 CB ALA A 93 7.691 8.663 -1.024 1.00 0.00 C ATOM 0 H ALA A 93 5.918 6.909 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 93 8.806 6.822 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.481 9.239 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.751 8.797 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.721 9.010 -0.668 1.00 0.00 H new ATOM 1492 N ALA A 94 7.069 7.733 1.559 1.00 0.00 N ATOM 1493 CA ALA A 94 7.048 7.653 3.018 1.00 0.00 C ATOM 1494 C ALA A 94 5.907 6.772 3.525 1.00 0.00 C ATOM 1495 O ALA A 94 5.107 6.264 2.741 1.00 0.00 O ATOM 1496 CB ALA A 94 6.945 9.051 3.614 1.00 0.00 C ATOM 0 H ALA A 94 6.395 8.387 1.162 1.00 0.00 H new ATOM 0 HA ALA A 94 7.981 7.191 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.930 8.983 4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.803 9.645 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.028 9.528 3.268 1.00 0.00 H new ATOM 1502 N PRO A 95 5.826 6.572 4.854 1.00 0.00 N ATOM 1503 CA PRO A 95 4.792 5.748 5.474 1.00 0.00 C ATOM 1504 C PRO A 95 3.541 6.542 5.834 1.00 0.00 C ATOM 1505 O PRO A 95 3.594 7.759 6.009 1.00 0.00 O ATOM 1506 CB PRO A 95 5.489 5.258 6.739 1.00 0.00 C ATOM 1507 CG PRO A 95 6.386 6.385 7.133 1.00 0.00 C ATOM 1508 CD PRO A 95 6.749 7.124 5.864 1.00 0.00 C ATOM 0 HA PRO A 95 4.436 4.959 4.812 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.770 5.030 7.525 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.056 4.346 6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.884 7.050 7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 95 7.280 6.010 7.631 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.619 8.200 5.978 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.790 6.956 5.588 1.00 0.00 H new ATOM 1516 N CYS A 96 2.420 5.841 5.952 1.00 0.00 N ATOM 1517 CA CYS A 96 1.155 6.474 6.302 1.00 0.00 C ATOM 1518 C CYS A 96 1.217 7.046 7.716 1.00 0.00 C ATOM 1519 O CYS A 96 1.989 6.576 8.550 1.00 0.00 O ATOM 1520 CB CYS A 96 0.011 5.465 6.194 1.00 0.00 C ATOM 1521 SG CYS A 96 -1.626 6.168 6.494 1.00 0.00 S ATOM 0 H CYS A 96 2.361 4.833 5.810 1.00 0.00 H new ATOM 0 HA CYS A 96 0.973 7.291 5.603 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.026 5.020 5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 96 0.184 4.659 6.907 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.580 7.457 6.335 1.00 0.00 H new ATOM 1527 N ARG A 97 0.405 8.066 7.980 1.00 0.00 N ATOM 1528 CA ARG A 97 0.380 8.698 9.294 1.00 0.00 C ATOM 1529 C ARG A 97 -1.048 8.840 9.813 1.00 0.00 C ATOM 1530 O ARG A 97 -1.984 9.043 9.039 1.00 0.00 O ATOM 1531 CB ARG A 97 1.053 10.071 9.234 1.00 0.00 C ATOM 1532 CG ARG A 97 2.480 10.072 9.760 1.00 0.00 C ATOM 1533 CD ARG A 97 3.450 9.500 8.739 1.00 0.00 C ATOM 1534 NE ARG A 97 4.516 8.728 9.370 1.00 0.00 N ATOM 1535 CZ ARG A 97 5.559 9.274 9.991 1.00 0.00 C ATOM 1536 NH1 ARG A 97 5.679 10.594 10.067 1.00 0.00 N ATOM 1537 NH2 ARG A 97 6.485 8.498 10.538 1.00 0.00 N ATOM 0 H ARG A 97 -0.242 8.471 7.303 1.00 0.00 H new ATOM 0 HA ARG A 97 0.930 8.058 9.984 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.055 10.421 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.461 10.782 9.811 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.775 11.090 10.013 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.531 9.488 10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.907 8.864 8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.886 10.313 8.158 1.00 0.00 H new ATOM 0 HE ARG A 97 4.458 7.710 9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.970 11.196 9.648 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.481 11.007 10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.398 7.483 10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.284 8.916 11.014 1.00 0.00 H new