USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 HIS :FLIP no HE2:sc= -12! C(o=-22!,f=-21!) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -9.38! C(o=-21!,f=-24!) USER MOD Set 2.1: A 66 ASN : amide:sc= -4.27 K(o=-5.2,f=-5.9!) USER MOD Set 2.2: A 87 SER OG : rot -59:sc= -0.937 USER MOD Set 3.1: A 43 SER OG : rot 130:sc= -4.91! USER MOD Set 3.2: A 52 HIS : no HE2:sc= -14.3! C(o=-19!,f=-26!) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0754 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.5) USER MOD Single : A 23 ASN : amide:sc= -8.42! C(o=-8.4!,f=-23!) USER MOD Single : A 25 THR OG1 : rot 24:sc= 0.546 USER MOD Single : A 33 SER OG : rot 155:sc= 0.69 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00249 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -25:sc= 0.256 USER MOD Single : A 48 GLN : amide:sc= -0.0597 X(o=-0.06,f=-0.47) USER MOD Single : A 53 TYR OH : rot 11:sc= -8.07! USER MOD Single : A 54 LYS NZ :NH3+ -144:sc= -0.0316 (180deg=-0.305) USER MOD Single : A 64 HIS : no HE2:sc= -5! C(o=-5!,f=-5.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.855 USER MOD Single : A 79 ASN : amide:sc= -0.143 K(o=-0.14,f=-1.4) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.7!) USER MOD Single : A 85 SER OG : rot 180:sc= -1.42 USER MOD Single : A 96 CYS SG : rot -49:sc= -4.07 USER MOD ----------------------------------------------------------------- ATOM 29 N PRO A 3 4.127 4.048 7.666 1.00 0.00 N ATOM 30 CA PRO A 3 4.156 3.212 6.463 1.00 0.00 C ATOM 31 C PRO A 3 3.891 1.749 6.828 1.00 0.00 C ATOM 32 O PRO A 3 3.735 0.888 5.962 1.00 0.00 O ATOM 33 CB PRO A 3 5.597 3.361 5.984 1.00 0.00 C ATOM 34 CG PRO A 3 6.393 3.565 7.232 1.00 0.00 C ATOM 35 CD PRO A 3 5.475 4.214 8.245 1.00 0.00 C ATOM 0 HA PRO A 3 3.409 3.498 5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.928 2.474 5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.703 4.206 5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.770 2.614 7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.259 4.197 7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.553 3.732 9.220 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.720 5.266 8.389 1.00 0.00 H new ATOM 43 N TRP A 4 3.887 1.496 8.141 1.00 0.00 N ATOM 44 CA TRP A 4 3.690 0.167 8.716 1.00 0.00 C ATOM 45 C TRP A 4 2.536 -0.606 8.090 1.00 0.00 C ATOM 46 O TRP A 4 1.924 -0.178 7.112 1.00 0.00 O ATOM 47 CB TRP A 4 3.445 0.300 10.220 1.00 0.00 C ATOM 48 CG TRP A 4 4.627 -0.089 11.055 1.00 0.00 C ATOM 49 CD1 TRP A 4 4.636 -0.962 12.106 1.00 0.00 C ATOM 50 CD2 TRP A 4 5.972 0.383 10.914 1.00 0.00 C ATOM 51 NE1 TRP A 4 5.904 -1.062 12.625 1.00 0.00 N ATOM 52 CE2 TRP A 4 6.742 -0.246 11.910 1.00 0.00 C ATOM 53 CE3 TRP A 4 6.599 1.275 10.039 1.00 0.00 C ATOM 54 CZ2 TRP A 4 8.107 -0.010 12.055 1.00 0.00 C ATOM 55 CZ3 TRP A 4 7.954 1.508 10.186 1.00 0.00 C ATOM 56 CH2 TRP A 4 8.695 0.868 11.186 1.00 0.00 C ATOM 0 H TRP A 4 4.023 2.223 8.843 1.00 0.00 H new ATOM 0 HA TRP A 4 4.598 -0.400 8.509 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.174 1.331 10.446 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.594 -0.321 10.498 1.00 0.00 H new ATOM 0 HD1 TRP A 4 3.772 -1.495 12.475 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.177 -1.648 13.414 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.036 1.772 9.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 8.681 -0.503 12.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.449 2.196 9.517 1.00 0.00 H new ATOM 0 HH2 TRP A 4 9.752 1.071 11.273 1.00 0.00 H new ATOM 67 N PHE A 5 2.258 -1.763 8.688 1.00 0.00 N ATOM 68 CA PHE A 5 1.193 -2.643 8.234 1.00 0.00 C ATOM 69 C PHE A 5 0.042 -2.659 9.236 1.00 0.00 C ATOM 70 O PHE A 5 0.254 -2.805 10.440 1.00 0.00 O ATOM 71 CB PHE A 5 1.724 -4.070 8.065 1.00 0.00 C ATOM 72 CG PHE A 5 2.763 -4.227 6.989 1.00 0.00 C ATOM 73 CD1 PHE A 5 3.864 -3.385 6.927 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.638 -5.229 6.043 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.818 -3.543 5.940 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.588 -5.390 5.054 1.00 0.00 C ATOM 77 CZ PHE A 5 4.680 -4.546 5.002 1.00 0.00 C ATOM 0 H PHE A 5 2.767 -2.113 9.500 1.00 0.00 H new ATOM 0 HA PHE A 5 0.831 -2.267 7.277 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.149 -4.401 9.013 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.887 -4.732 7.843 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.977 -2.598 7.658 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.787 -5.893 6.079 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.671 -2.882 5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.477 -6.176 4.321 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.424 -4.671 4.229 1.00 0.00 H new ATOM 87 N PHE A 6 -1.175 -2.532 8.728 1.00 0.00 N ATOM 88 CA PHE A 6 -2.365 -2.554 9.565 1.00 0.00 C ATOM 89 C PHE A 6 -3.371 -3.545 8.992 1.00 0.00 C ATOM 90 O PHE A 6 -4.079 -3.238 8.039 1.00 0.00 O ATOM 91 CB PHE A 6 -2.987 -1.161 9.653 1.00 0.00 C ATOM 92 CG PHE A 6 -2.487 -0.352 10.816 1.00 0.00 C ATOM 93 CD1 PHE A 6 -1.363 0.448 10.689 1.00 0.00 C ATOM 94 CD2 PHE A 6 -3.143 -0.390 12.037 1.00 0.00 C ATOM 95 CE1 PHE A 6 -0.902 1.194 11.757 1.00 0.00 C ATOM 96 CE2 PHE A 6 -2.687 0.353 13.108 1.00 0.00 C ATOM 97 CZ PHE A 6 -1.564 1.146 12.969 1.00 0.00 C ATOM 0 H PHE A 6 -1.365 -2.412 7.733 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.084 -2.865 10.571 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.780 -0.621 8.729 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.070 -1.260 9.729 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.841 0.489 9.744 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.021 -1.008 12.152 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.025 1.814 11.644 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.208 0.314 14.053 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.205 1.727 13.806 1.00 0.00 H new ATOM 107 N GLY A 7 -3.425 -4.735 9.574 1.00 0.00 N ATOM 108 CA GLY A 7 -4.339 -5.748 9.093 1.00 0.00 C ATOM 109 C GLY A 7 -5.737 -5.572 9.634 1.00 0.00 C ATOM 110 O GLY A 7 -6.573 -6.466 9.502 1.00 0.00 O ATOM 0 H GLY A 7 -2.852 -5.016 10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.368 -5.718 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.966 -6.732 9.375 1.00 0.00 H new ATOM 114 N CYS A 8 -6.002 -4.424 10.250 1.00 0.00 N ATOM 115 CA CYS A 8 -7.316 -4.171 10.806 1.00 0.00 C ATOM 116 C CYS A 8 -7.903 -2.841 10.326 1.00 0.00 C ATOM 117 O CYS A 8 -9.045 -2.514 10.649 1.00 0.00 O ATOM 118 CB CYS A 8 -7.261 -4.198 12.336 1.00 0.00 C ATOM 119 SG CYS A 8 -8.221 -5.535 13.084 1.00 0.00 S ATOM 0 H CYS A 8 -5.330 -3.666 10.373 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.973 -4.965 10.451 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.221 -4.291 12.650 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.625 -3.245 12.719 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.111 -5.477 14.378 1.00 0.00 H new ATOM 125 N ILE A 9 -7.133 -2.075 9.555 1.00 0.00 N ATOM 126 CA ILE A 9 -7.616 -0.794 9.052 1.00 0.00 C ATOM 127 C ILE A 9 -8.648 -0.997 7.948 1.00 0.00 C ATOM 128 O ILE A 9 -8.382 -1.666 6.950 1.00 0.00 O ATOM 129 CB ILE A 9 -6.472 0.091 8.513 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.617 -0.677 7.507 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.611 0.611 9.653 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.733 0.217 6.671 1.00 0.00 C ATOM 0 H ILE A 9 -6.184 -2.316 9.269 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.076 -0.285 9.899 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.919 0.943 8.002 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.995 -1.394 8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.270 -1.250 6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.811 1.232 9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.225 1.204 10.331 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.179 -0.230 10.196 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.152 -0.391 5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.351 0.918 6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.056 0.771 7.322 1.00 0.00 H new ATOM 144 N SER A 10 -9.826 -0.414 8.133 1.00 0.00 N ATOM 145 CA SER A 10 -10.896 -0.532 7.152 1.00 0.00 C ATOM 146 C SER A 10 -10.674 0.433 5.993 1.00 0.00 C ATOM 147 O SER A 10 -9.789 1.287 6.046 1.00 0.00 O ATOM 148 CB SER A 10 -12.252 -0.257 7.807 1.00 0.00 C ATOM 149 OG SER A 10 -12.131 0.695 8.849 1.00 0.00 O ATOM 0 H SER A 10 -10.064 0.145 8.953 1.00 0.00 H new ATOM 0 HA SER A 10 -10.890 -1.550 6.763 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.954 0.107 7.057 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.663 -1.185 8.204 1.00 0.00 H new ATOM 0 HG SER A 10 -13.011 0.855 9.250 1.00 0.00 H new ATOM 155 N ARG A 11 -11.481 0.292 4.947 1.00 0.00 N ATOM 156 CA ARG A 11 -11.369 1.154 3.777 1.00 0.00 C ATOM 157 C ARG A 11 -11.661 2.607 4.132 1.00 0.00 C ATOM 158 O ARG A 11 -11.313 3.521 3.387 1.00 0.00 O ATOM 159 CB ARG A 11 -12.324 0.683 2.678 1.00 0.00 C ATOM 160 CG ARG A 11 -11.736 0.771 1.279 1.00 0.00 C ATOM 161 CD ARG A 11 -12.637 0.106 0.251 1.00 0.00 C ATOM 162 NE ARG A 11 -13.056 -1.229 0.672 1.00 0.00 N ATOM 163 CZ ARG A 11 -14.101 -1.874 0.158 1.00 0.00 C ATOM 164 NH1 ARG A 11 -14.833 -1.313 -0.796 1.00 0.00 N ATOM 165 NH2 ARG A 11 -14.414 -3.085 0.599 1.00 0.00 N ATOM 0 H ARG A 11 -12.219 -0.410 4.886 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.344 1.092 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.612 -0.349 2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.234 1.282 2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.588 1.817 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.755 0.296 1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.517 0.727 0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.111 0.037 -0.701 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.516 -1.694 1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.596 -0.382 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.632 -1.812 -1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.854 -3.521 1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.215 -3.580 0.206 1.00 0.00 H new ATOM 179 N SER A 12 -12.302 2.812 5.272 1.00 0.00 N ATOM 180 CA SER A 12 -12.647 4.153 5.727 1.00 0.00 C ATOM 181 C SER A 12 -11.440 4.863 6.332 1.00 0.00 C ATOM 182 O SER A 12 -11.315 6.084 6.232 1.00 0.00 O ATOM 183 CB SER A 12 -13.780 4.087 6.753 1.00 0.00 C ATOM 184 OG SER A 12 -15.047 4.102 6.116 1.00 0.00 O ATOM 0 H SER A 12 -12.595 2.065 5.902 1.00 0.00 H new ATOM 0 HA SER A 12 -12.977 4.725 4.860 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.681 3.181 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.704 4.931 7.438 1.00 0.00 H new ATOM 0 HG SER A 12 -15.754 4.057 6.793 1.00 0.00 H new ATOM 190 N GLU A 13 -10.557 4.099 6.969 1.00 0.00 N ATOM 191 CA GLU A 13 -9.373 4.675 7.594 1.00 0.00 C ATOM 192 C GLU A 13 -8.283 4.965 6.576 1.00 0.00 C ATOM 193 O GLU A 13 -7.713 6.045 6.577 1.00 0.00 O ATOM 194 CB GLU A 13 -8.810 3.750 8.671 1.00 0.00 C ATOM 195 CG GLU A 13 -9.873 3.072 9.522 1.00 0.00 C ATOM 196 CD GLU A 13 -9.821 3.504 10.974 1.00 0.00 C ATOM 197 OE1 GLU A 13 -8.720 3.471 11.564 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.880 3.877 11.522 1.00 0.00 O ATOM 0 H GLU A 13 -10.639 3.087 7.065 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.690 5.613 8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.198 2.984 8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.151 4.325 9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.858 3.299 9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.745 1.991 9.464 1.00 0.00 H new ATOM 205 N ALA A 14 -7.980 3.995 5.724 1.00 0.00 N ATOM 206 CA ALA A 14 -6.936 4.165 4.724 1.00 0.00 C ATOM 207 C ALA A 14 -7.240 5.331 3.791 1.00 0.00 C ATOM 208 O ALA A 14 -6.351 6.116 3.458 1.00 0.00 O ATOM 209 CB ALA A 14 -6.751 2.879 3.936 1.00 0.00 C ATOM 0 H ALA A 14 -8.441 3.085 5.705 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.006 4.397 5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.968 3.018 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.468 2.074 4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.685 2.621 3.437 1.00 0.00 H new ATOM 215 N VAL A 15 -8.493 5.448 3.373 1.00 0.00 N ATOM 216 CA VAL A 15 -8.886 6.532 2.478 1.00 0.00 C ATOM 217 C VAL A 15 -8.732 7.890 3.160 1.00 0.00 C ATOM 218 O VAL A 15 -8.246 8.844 2.554 1.00 0.00 O ATOM 219 CB VAL A 15 -10.339 6.375 1.982 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.714 7.511 1.041 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.531 5.030 1.300 1.00 0.00 C ATOM 0 H VAL A 15 -9.248 4.814 3.635 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.220 6.480 1.617 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.000 6.418 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.742 7.380 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.622 8.463 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.046 7.505 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.562 4.939 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.857 4.955 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.312 4.229 2.006 1.00 0.00 H new ATOM 231 N ARG A 16 -9.145 7.972 4.422 1.00 0.00 N ATOM 232 CA ARG A 16 -9.044 9.219 5.176 1.00 0.00 C ATOM 233 C ARG A 16 -7.663 9.373 5.808 1.00 0.00 C ATOM 234 O ARG A 16 -7.259 10.471 6.189 1.00 0.00 O ATOM 235 CB ARG A 16 -10.124 9.278 6.257 1.00 0.00 C ATOM 236 CG ARG A 16 -10.626 10.685 6.539 1.00 0.00 C ATOM 237 CD ARG A 16 -12.102 10.687 6.904 1.00 0.00 C ATOM 238 NE ARG A 16 -12.954 10.463 5.739 1.00 0.00 N ATOM 239 CZ ARG A 16 -13.258 11.407 4.850 1.00 0.00 C ATOM 240 NH1 ARG A 16 -12.782 12.638 4.990 1.00 0.00 N ATOM 241 NH2 ARG A 16 -14.041 11.119 3.819 1.00 0.00 N ATOM 0 H ARG A 16 -9.551 7.194 4.942 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.193 10.043 4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.965 8.655 5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.728 8.851 7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.048 11.122 7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.466 11.312 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.293 9.913 7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.360 11.641 7.364 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.339 9.529 5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.180 12.865 5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.018 13.357 4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.410 10.175 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.274 11.842 3.138 1.00 0.00 H new ATOM 255 N ARG A 17 -6.948 8.263 5.908 1.00 0.00 N ATOM 256 CA ARG A 17 -5.610 8.252 6.484 1.00 0.00 C ATOM 257 C ARG A 17 -4.598 8.750 5.458 1.00 0.00 C ATOM 258 O ARG A 17 -3.809 9.650 5.735 1.00 0.00 O ATOM 259 CB ARG A 17 -5.250 6.839 6.969 1.00 0.00 C ATOM 260 CG ARG A 17 -3.801 6.688 7.402 1.00 0.00 C ATOM 261 CD ARG A 17 -3.589 5.410 8.197 1.00 0.00 C ATOM 262 NE ARG A 17 -2.574 5.572 9.235 1.00 0.00 N ATOM 263 CZ ARG A 17 -2.441 4.753 10.277 1.00 0.00 C ATOM 264 NH1 ARG A 17 -3.255 3.714 10.420 1.00 0.00 N ATOM 265 NH2 ARG A 17 -1.491 4.972 11.176 1.00 0.00 N ATOM 0 H ARG A 17 -7.275 7.349 5.595 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.587 8.921 7.344 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.898 6.576 7.805 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.456 6.127 6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.156 6.683 6.523 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.509 7.547 8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.531 5.108 8.655 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.292 4.608 7.521 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.929 6.359 9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.986 3.540 9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.149 3.090 11.220 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.862 5.768 11.070 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.389 4.345 11.974 1.00 0.00 H new ATOM 279 N LEU A 18 -4.647 8.168 4.263 1.00 0.00 N ATOM 280 CA LEU A 18 -3.753 8.561 3.178 1.00 0.00 C ATOM 281 C LEU A 18 -4.000 10.006 2.781 1.00 0.00 C ATOM 282 O LEU A 18 -3.074 10.760 2.483 1.00 0.00 O ATOM 283 CB LEU A 18 -3.974 7.654 1.977 1.00 0.00 C ATOM 284 CG LEU A 18 -3.098 6.412 1.950 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.632 6.799 1.999 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.438 5.496 3.109 1.00 0.00 C ATOM 0 H LEU A 18 -5.298 7.421 4.021 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.723 8.465 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.019 7.345 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.796 8.228 1.068 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.287 5.877 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.017 5.899 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.391 7.422 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.433 7.354 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.801 4.612 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.275 6.023 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.483 5.193 3.039 1.00 0.00 H new ATOM 298 N GLN A 19 -5.268 10.368 2.776 1.00 0.00 N ATOM 299 CA GLN A 19 -5.695 11.718 2.413 1.00 0.00 C ATOM 300 C GLN A 19 -5.367 12.729 3.509 1.00 0.00 C ATOM 301 O GLN A 19 -5.283 13.929 3.247 1.00 0.00 O ATOM 302 CB GLN A 19 -7.198 11.740 2.127 1.00 0.00 C ATOM 303 CG GLN A 19 -7.543 11.569 0.657 1.00 0.00 C ATOM 304 CD GLN A 19 -7.750 12.894 -0.051 1.00 0.00 C ATOM 305 OE1 GLN A 19 -6.806 13.661 -0.246 1.00 0.00 O ATOM 306 NE2 GLN A 19 -8.989 13.171 -0.441 1.00 0.00 N ATOM 0 H GLN A 19 -6.034 9.741 3.022 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.147 12.003 1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.679 10.946 2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.612 12.684 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.744 11.018 0.162 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.448 10.968 0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.741 12.507 -0.259 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.188 14.048 -0.923 1.00 0.00 H new ATOM 315 N ALA A 20 -5.186 12.243 4.738 1.00 0.00 N ATOM 316 CA ALA A 20 -4.869 13.114 5.872 1.00 0.00 C ATOM 317 C ALA A 20 -3.788 14.127 5.508 1.00 0.00 C ATOM 318 O ALA A 20 -3.162 14.025 4.453 1.00 0.00 O ATOM 319 CB ALA A 20 -4.425 12.280 7.063 1.00 0.00 C ATOM 0 H ALA A 20 -5.253 11.253 4.974 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.771 13.665 6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.192 12.937 7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.226 11.598 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.538 11.706 6.795 1.00 0.00 H new ATOM 325 N GLU A 21 -3.560 15.106 6.383 1.00 0.00 N ATOM 326 CA GLU A 21 -2.542 16.119 6.121 1.00 0.00 C ATOM 327 C GLU A 21 -1.172 15.674 6.605 1.00 0.00 C ATOM 328 O GLU A 21 -0.217 16.449 6.638 1.00 0.00 O ATOM 329 CB GLU A 21 -2.925 17.461 6.746 1.00 0.00 C ATOM 330 CG GLU A 21 -4.320 17.932 6.366 1.00 0.00 C ATOM 331 CD GLU A 21 -4.529 19.410 6.634 1.00 0.00 C ATOM 332 OE1 GLU A 21 -4.285 19.846 7.779 1.00 0.00 O ATOM 333 OE2 GLU A 21 -4.938 20.130 5.700 1.00 0.00 O ATOM 0 H GLU A 21 -4.058 15.218 7.266 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.487 16.249 5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.861 17.379 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.200 18.215 6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.492 17.730 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.058 17.357 6.925 1.00 0.00 H new ATOM 340 N GLY A 22 -1.092 14.406 6.930 1.00 0.00 N ATOM 341 CA GLY A 22 0.152 13.807 7.366 1.00 0.00 C ATOM 342 C GLY A 22 0.861 13.108 6.220 1.00 0.00 C ATOM 343 O GLY A 22 1.989 12.639 6.365 1.00 0.00 O ATOM 0 H GLY A 22 -1.882 13.761 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.802 14.577 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.047 13.091 8.164 1.00 0.00 H new ATOM 347 N ASN A 23 0.175 13.027 5.082 1.00 0.00 N ATOM 348 CA ASN A 23 0.707 12.368 3.899 1.00 0.00 C ATOM 349 C ASN A 23 1.234 13.381 2.891 1.00 0.00 C ATOM 350 O ASN A 23 0.518 14.291 2.475 1.00 0.00 O ATOM 351 CB ASN A 23 -0.384 11.516 3.247 1.00 0.00 C ATOM 352 CG ASN A 23 -0.972 10.490 4.196 1.00 0.00 C ATOM 353 OD1 ASN A 23 -0.766 9.289 4.032 1.00 0.00 O ATOM 354 ND2 ASN A 23 -1.720 10.957 5.188 1.00 0.00 N ATOM 0 H ASN A 23 -0.760 13.415 4.958 1.00 0.00 H new ATOM 0 HA ASN A 23 1.536 11.733 4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.179 12.167 2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.031 11.005 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.149 10.311 5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.865 11.962 5.288 1.00 0.00 H new ATOM 361 N ALA A 24 2.486 13.205 2.490 1.00 0.00 N ATOM 362 CA ALA A 24 3.105 14.089 1.515 1.00 0.00 C ATOM 363 C ALA A 24 3.419 13.323 0.240 1.00 0.00 C ATOM 364 O ALA A 24 4.578 13.193 -0.152 1.00 0.00 O ATOM 365 CB ALA A 24 4.365 14.717 2.089 1.00 0.00 C ATOM 0 H ALA A 24 3.092 12.457 2.826 1.00 0.00 H new ATOM 0 HA ALA A 24 2.406 14.890 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.815 15.375 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.111 15.294 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.074 13.933 2.355 1.00 0.00 H new ATOM 371 N THR A 25 2.365 12.809 -0.388 1.00 0.00 N ATOM 372 CA THR A 25 2.481 12.033 -1.613 1.00 0.00 C ATOM 373 C THR A 25 3.426 10.850 -1.428 1.00 0.00 C ATOM 374 O THR A 25 4.538 10.992 -0.923 1.00 0.00 O ATOM 375 CB THR A 25 2.927 12.918 -2.776 1.00 0.00 C ATOM 376 OG1 THR A 25 4.143 13.579 -2.479 1.00 0.00 O ATOM 377 CG2 THR A 25 1.899 13.972 -3.129 1.00 0.00 C ATOM 0 H THR A 25 1.406 12.921 -0.059 1.00 0.00 H new ATOM 0 HA THR A 25 1.496 11.634 -1.853 1.00 0.00 H new ATOM 0 HB THR A 25 3.056 12.246 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.636 13.069 -1.802 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.265 14.573 -3.961 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.965 13.488 -3.415 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.726 14.615 -2.266 1.00 0.00 H new ATOM 385 N GLY A 26 2.953 9.670 -1.813 1.00 0.00 N ATOM 386 CA GLY A 26 3.741 8.465 -1.654 1.00 0.00 C ATOM 387 C GLY A 26 3.420 7.771 -0.353 1.00 0.00 C ATOM 388 O GLY A 26 3.690 6.584 -0.197 1.00 0.00 O ATOM 0 H GLY A 26 2.035 9.528 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.549 7.789 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.802 8.714 -1.684 1.00 0.00 H new ATOM 392 N ALA A 27 2.820 8.511 0.581 1.00 0.00 N ATOM 393 CA ALA A 27 2.438 7.945 1.865 1.00 0.00 C ATOM 394 C ALA A 27 1.728 6.618 1.640 1.00 0.00 C ATOM 395 O ALA A 27 0.786 6.559 0.862 1.00 0.00 O ATOM 396 CB ALA A 27 1.536 8.913 2.615 1.00 0.00 C ATOM 0 H ALA A 27 2.591 9.499 0.468 1.00 0.00 H new ATOM 0 HA ALA A 27 3.330 7.773 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.256 8.480 3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.067 9.850 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.638 9.104 2.027 1.00 0.00 H new ATOM 402 N PHE A 28 2.196 5.545 2.273 1.00 0.00 N ATOM 403 CA PHE A 28 1.591 4.246 2.062 1.00 0.00 C ATOM 404 C PHE A 28 1.443 3.469 3.357 1.00 0.00 C ATOM 405 O PHE A 28 1.988 3.834 4.394 1.00 0.00 O ATOM 406 CB PHE A 28 2.441 3.459 1.080 1.00 0.00 C ATOM 407 CG PHE A 28 3.885 3.346 1.484 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.260 2.485 2.498 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.866 4.094 0.850 1.00 0.00 C ATOM 410 CE1 PHE A 28 5.584 2.368 2.878 1.00 0.00 C ATOM 411 CE2 PHE A 28 6.192 3.984 1.224 1.00 0.00 C ATOM 412 CZ PHE A 28 6.551 3.120 2.239 1.00 0.00 C ATOM 0 H PHE A 28 2.980 5.554 2.925 1.00 0.00 H new ATOM 0 HA PHE A 28 0.589 4.398 1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.024 2.458 0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.383 3.935 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.508 1.895 3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.590 4.771 0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.862 1.691 3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.946 4.573 0.723 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.586 3.032 2.533 1.00 0.00 H new ATOM 422 N LEU A 29 0.691 2.394 3.260 1.00 0.00 N ATOM 423 CA LEU A 29 0.423 1.505 4.378 1.00 0.00 C ATOM 424 C LEU A 29 0.046 0.136 3.838 1.00 0.00 C ATOM 425 O LEU A 29 -0.365 0.022 2.688 1.00 0.00 O ATOM 426 CB LEU A 29 -0.728 2.036 5.228 1.00 0.00 C ATOM 427 CG LEU A 29 -1.947 2.560 4.445 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.038 1.965 3.044 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.218 2.248 5.196 1.00 0.00 C ATOM 0 H LEU A 29 0.241 2.106 2.391 1.00 0.00 H new ATOM 0 HA LEU A 29 1.317 1.441 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.061 1.240 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.350 2.841 5.858 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.820 3.638 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.914 2.366 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.141 2.222 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.124 0.881 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.074 2.622 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.311 1.169 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.189 2.727 6.175 1.00 0.00 H new ATOM 441 N ILE A 30 0.138 -0.896 4.653 1.00 0.00 N ATOM 442 CA ILE A 30 -0.241 -2.223 4.189 1.00 0.00 C ATOM 443 C ILE A 30 -1.232 -2.879 5.135 1.00 0.00 C ATOM 444 O ILE A 30 -0.947 -3.075 6.311 1.00 0.00 O ATOM 445 CB ILE A 30 0.968 -3.146 4.007 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.207 -2.341 3.561 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.605 -4.248 3.023 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.964 -2.934 2.393 1.00 0.00 C ATOM 0 H ILE A 30 0.464 -0.849 5.619 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.711 -2.078 3.216 1.00 0.00 H new ATOM 0 HB ILE A 30 1.230 -3.611 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.891 -1.332 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.887 -2.250 4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.460 -4.910 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.238 -4.819 3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.333 -3.805 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.817 -2.299 2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.317 -3.931 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.305 -2.999 1.527 1.00 0.00 H new ATOM 460 N ARG A 31 -2.402 -3.220 4.608 1.00 0.00 N ATOM 461 CA ARG A 31 -3.439 -3.854 5.406 1.00 0.00 C ATOM 462 C ARG A 31 -3.785 -5.222 4.850 1.00 0.00 C ATOM 463 O ARG A 31 -3.177 -5.681 3.884 1.00 0.00 O ATOM 464 CB ARG A 31 -4.691 -2.979 5.438 1.00 0.00 C ATOM 465 CG ARG A 31 -5.407 -2.898 4.106 1.00 0.00 C ATOM 466 CD ARG A 31 -6.538 -1.881 4.140 1.00 0.00 C ATOM 467 NE ARG A 31 -6.745 -1.250 2.838 1.00 0.00 N ATOM 468 CZ ARG A 31 -7.934 -0.870 2.373 1.00 0.00 C ATOM 469 NH1 ARG A 31 -9.024 -1.004 3.118 1.00 0.00 N ATOM 470 NH2 ARG A 31 -8.029 -0.345 1.160 1.00 0.00 N ATOM 0 H ARG A 31 -2.654 -3.067 3.632 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.060 -3.975 6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.379 -3.370 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.414 -1.973 5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.696 -2.626 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.806 -3.879 3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.458 -2.373 4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.315 -1.115 4.883 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.928 -1.091 2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.956 -1.401 4.055 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.930 -0.710 2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.193 -0.233 0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.938 -0.053 0.800 1.00 0.00 H new ATOM 484 N VAL A 32 -4.766 -5.873 5.459 1.00 0.00 N ATOM 485 CA VAL A 32 -5.177 -7.190 5.006 1.00 0.00 C ATOM 486 C VAL A 32 -6.187 -7.094 3.874 1.00 0.00 C ATOM 487 O VAL A 32 -6.687 -6.013 3.558 1.00 0.00 O ATOM 488 CB VAL A 32 -5.771 -8.028 6.152 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.715 -8.315 7.207 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.970 -7.320 6.764 1.00 0.00 C ATOM 0 H VAL A 32 -5.286 -5.514 6.260 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.279 -7.688 4.641 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.110 -8.980 5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.154 -8.908 8.009 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.891 -8.868 6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.342 -7.375 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.377 -7.927 7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.659 -6.352 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.734 -7.173 6.001 1.00 0.00 H new ATOM 500 N SER A 33 -6.468 -8.234 3.258 1.00 0.00 N ATOM 501 CA SER A 33 -7.402 -8.299 2.146 1.00 0.00 C ATOM 502 C SER A 33 -8.791 -7.810 2.542 1.00 0.00 C ATOM 503 O SER A 33 -9.676 -8.610 2.843 1.00 0.00 O ATOM 504 CB SER A 33 -7.490 -9.733 1.620 1.00 0.00 C ATOM 505 OG SER A 33 -7.305 -10.671 2.665 1.00 0.00 O ATOM 0 H SER A 33 -6.058 -9.132 3.513 1.00 0.00 H new ATOM 0 HA SER A 33 -7.027 -7.641 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.461 -9.893 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.735 -9.888 0.850 1.00 0.00 H new ATOM 0 HG SER A 33 -7.745 -11.514 2.429 1.00 0.00 H new ATOM 511 N GLU A 34 -8.987 -6.494 2.515 1.00 0.00 N ATOM 512 CA GLU A 34 -10.285 -5.915 2.844 1.00 0.00 C ATOM 513 C GLU A 34 -11.320 -6.327 1.801 1.00 0.00 C ATOM 514 O GLU A 34 -12.527 -6.243 2.028 1.00 0.00 O ATOM 515 CB GLU A 34 -10.187 -4.389 2.926 1.00 0.00 C ATOM 516 CG GLU A 34 -10.609 -3.825 4.273 1.00 0.00 C ATOM 517 CD GLU A 34 -11.991 -3.203 4.237 1.00 0.00 C ATOM 518 OE1 GLU A 34 -12.319 -2.542 3.229 1.00 0.00 O ATOM 519 OE2 GLU A 34 -12.746 -3.378 5.217 1.00 0.00 O ATOM 0 H GLU A 34 -8.268 -5.813 2.270 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.599 -6.290 3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.160 -4.087 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.810 -3.951 2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.592 -4.621 5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.885 -3.075 4.592 1.00 0.00 H new ATOM 526 N LYS A 35 -10.821 -6.787 0.661 1.00 0.00 N ATOM 527 CA LYS A 35 -11.663 -7.242 -0.440 1.00 0.00 C ATOM 528 C LYS A 35 -11.184 -8.610 -0.932 1.00 0.00 C ATOM 529 O LYS A 35 -11.922 -9.591 -0.851 1.00 0.00 O ATOM 530 CB LYS A 35 -11.670 -6.229 -1.595 1.00 0.00 C ATOM 531 CG LYS A 35 -11.395 -4.794 -1.166 1.00 0.00 C ATOM 532 CD LYS A 35 -9.988 -4.355 -1.540 1.00 0.00 C ATOM 533 CE LYS A 35 -9.987 -2.984 -2.200 1.00 0.00 C ATOM 534 NZ LYS A 35 -9.042 -2.921 -3.349 1.00 0.00 N ATOM 0 H LYS A 35 -9.821 -6.856 0.473 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.685 -7.332 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.922 -6.527 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.639 -6.269 -2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.120 -4.129 -1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.530 -4.704 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.364 -4.330 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.546 -5.086 -2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.993 -2.746 -2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.715 -2.227 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.071 -1.971 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.077 -3.123 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.316 -3.625 -4.063 1.00 0.00 H new ATOM 548 N PRO A 36 -9.933 -8.702 -1.439 1.00 0.00 N ATOM 549 CA PRO A 36 -9.364 -9.964 -1.926 1.00 0.00 C ATOM 550 C PRO A 36 -9.603 -11.120 -0.954 1.00 0.00 C ATOM 551 O PRO A 36 -10.142 -10.926 0.136 1.00 0.00 O ATOM 552 CB PRO A 36 -7.857 -9.666 -2.050 1.00 0.00 C ATOM 553 CG PRO A 36 -7.656 -8.313 -1.449 1.00 0.00 C ATOM 554 CD PRO A 36 -8.968 -7.603 -1.581 1.00 0.00 C ATOM 0 HA PRO A 36 -9.823 -10.278 -2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.266 -10.418 -1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.540 -9.681 -3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.358 -8.391 -0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -6.865 -7.770 -1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.099 -6.844 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.063 -7.100 -2.543 1.00 0.00 H new ATOM 562 N SER A 37 -9.204 -12.323 -1.358 1.00 0.00 N ATOM 563 CA SER A 37 -9.384 -13.508 -0.522 1.00 0.00 C ATOM 564 C SER A 37 -8.361 -13.553 0.615 1.00 0.00 C ATOM 565 O SER A 37 -8.647 -13.121 1.731 1.00 0.00 O ATOM 566 CB SER A 37 -9.283 -14.777 -1.376 1.00 0.00 C ATOM 567 OG SER A 37 -9.224 -15.935 -0.562 1.00 0.00 O ATOM 0 H SER A 37 -8.755 -12.504 -2.256 1.00 0.00 H new ATOM 0 HA SER A 37 -10.377 -13.454 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.143 -14.840 -2.042 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.395 -14.726 -2.006 1.00 0.00 H new ATOM 0 HG SER A 37 -9.162 -16.731 -1.130 1.00 0.00 H new ATOM 573 N ALA A 38 -7.173 -14.080 0.327 1.00 0.00 N ATOM 574 CA ALA A 38 -6.117 -14.181 1.329 1.00 0.00 C ATOM 575 C ALA A 38 -4.871 -13.428 0.881 1.00 0.00 C ATOM 576 O ALA A 38 -3.823 -14.027 0.634 1.00 0.00 O ATOM 577 CB ALA A 38 -5.785 -15.641 1.602 1.00 0.00 C ATOM 0 H ALA A 38 -6.919 -14.443 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.477 -13.725 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.996 -15.701 2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.674 -16.154 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.447 -16.116 0.681 1.00 0.00 H new ATOM 583 N ASP A 39 -4.997 -12.113 0.768 1.00 0.00 N ATOM 584 CA ASP A 39 -3.888 -11.271 0.338 1.00 0.00 C ATOM 585 C ASP A 39 -3.750 -10.045 1.241 1.00 0.00 C ATOM 586 O ASP A 39 -4.290 -10.017 2.347 1.00 0.00 O ATOM 587 CB ASP A 39 -4.104 -10.839 -1.114 1.00 0.00 C ATOM 588 CG ASP A 39 -4.542 -11.986 -2.004 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.964 -13.088 -1.881 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.462 -11.784 -2.824 1.00 0.00 O ATOM 0 H ASP A 39 -5.858 -11.605 0.969 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.965 -11.847 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.856 -10.051 -1.147 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.179 -10.414 -1.504 1.00 0.00 H new ATOM 595 N TYR A 40 -3.048 -9.024 0.751 1.00 0.00 N ATOM 596 CA TYR A 40 -2.865 -7.788 1.497 1.00 0.00 C ATOM 597 C TYR A 40 -3.093 -6.640 0.559 1.00 0.00 C ATOM 598 O TYR A 40 -2.722 -6.715 -0.599 1.00 0.00 O ATOM 599 CB TYR A 40 -1.459 -7.696 2.118 1.00 0.00 C ATOM 600 CG TYR A 40 -1.449 -7.951 3.608 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.971 -9.126 4.131 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.920 -7.019 4.492 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.966 -9.368 5.492 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.911 -7.252 5.854 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.434 -8.427 6.349 1.00 0.00 C ATOM 606 OH TYR A 40 -1.426 -8.663 7.705 1.00 0.00 O ATOM 0 H TYR A 40 -2.596 -9.033 -0.164 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.578 -7.761 2.321 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.804 -8.417 1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.046 -6.706 1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.389 -9.864 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.509 -6.097 4.108 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.376 -10.288 5.882 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.496 -6.517 6.527 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.016 -7.902 8.167 1.00 0.00 H new ATOM 616 N VAL A 41 -3.709 -5.588 1.046 1.00 0.00 N ATOM 617 CA VAL A 41 -3.977 -4.443 0.198 1.00 0.00 C ATOM 618 C VAL A 41 -3.236 -3.221 0.686 1.00 0.00 C ATOM 619 O VAL A 41 -3.210 -2.925 1.878 1.00 0.00 O ATOM 620 CB VAL A 41 -5.480 -4.148 0.091 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.152 -5.200 -0.779 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.115 -4.102 1.467 1.00 0.00 C ATOM 0 H VAL A 41 -4.031 -5.498 2.010 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.616 -4.695 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.616 -3.171 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.218 -4.985 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.710 -5.184 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.009 -6.185 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.180 -3.892 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.979 -5.063 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.643 -3.318 2.059 1.00 0.00 H new ATOM 632 N LEU A 42 -2.609 -2.528 -0.245 1.00 0.00 N ATOM 633 CA LEU A 42 -1.841 -1.352 0.083 1.00 0.00 C ATOM 634 C LEU A 42 -2.522 -0.096 -0.430 1.00 0.00 C ATOM 635 O LEU A 42 -3.184 -0.123 -1.453 1.00 0.00 O ATOM 636 CB LEU A 42 -0.453 -1.453 -0.522 1.00 0.00 C ATOM 637 CG LEU A 42 0.462 -0.300 -0.157 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.308 -0.666 1.052 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.334 0.078 -1.332 1.00 0.00 C ATOM 0 H LEU A 42 -2.619 -2.764 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.766 -1.291 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.007 -2.386 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.543 -1.503 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.149 0.565 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.961 0.169 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.657 -0.887 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.913 -1.543 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.984 0.907 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.943 -0.778 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.705 0.378 -2.170 1.00 0.00 H new ATOM 651 N SER A 43 -2.339 1.012 0.268 1.00 0.00 N ATOM 652 CA SER A 43 -2.935 2.268 -0.164 1.00 0.00 C ATOM 653 C SER A 43 -1.970 3.424 -0.024 1.00 0.00 C ATOM 654 O SER A 43 -1.245 3.542 0.960 1.00 0.00 O ATOM 655 CB SER A 43 -4.244 2.539 0.557 1.00 0.00 C ATOM 656 OG SER A 43 -4.148 3.641 1.437 1.00 0.00 O ATOM 0 H SER A 43 -1.790 1.070 1.126 1.00 0.00 H new ATOM 0 HA SER A 43 -3.163 2.170 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.029 2.728 -0.176 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.539 1.652 1.118 1.00 0.00 H new ATOM 0 HG SER A 43 -4.891 4.258 1.271 1.00 0.00 H new ATOM 662 N VAL A 44 -1.955 4.258 -1.050 1.00 0.00 N ATOM 663 CA VAL A 44 -1.057 5.403 -1.088 1.00 0.00 C ATOM 664 C VAL A 44 -1.769 6.687 -1.476 1.00 0.00 C ATOM 665 O VAL A 44 -2.683 6.684 -2.299 1.00 0.00 O ATOM 666 CB VAL A 44 0.104 5.148 -2.072 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.339 5.378 -3.509 1.00 0.00 C ATOM 668 CG2 VAL A 44 1.300 6.020 -1.723 1.00 0.00 C ATOM 0 H VAL A 44 -2.555 4.165 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.668 5.527 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 44 0.406 4.104 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.498 5.192 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.157 4.699 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.676 6.408 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.109 5.827 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.013 7.070 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.636 5.789 -0.712 1.00 0.00 H new ATOM 678 N ARG A 45 -1.304 7.793 -0.906 1.00 0.00 N ATOM 679 CA ARG A 45 -1.859 9.093 -1.227 1.00 0.00 C ATOM 680 C ARG A 45 -1.361 9.512 -2.598 1.00 0.00 C ATOM 681 O ARG A 45 -1.792 10.526 -3.146 1.00 0.00 O ATOM 682 CB ARG A 45 -1.457 10.144 -0.188 1.00 0.00 C ATOM 683 CG ARG A 45 -2.189 11.466 -0.352 1.00 0.00 C ATOM 684 CD ARG A 45 -1.573 12.564 0.500 1.00 0.00 C ATOM 685 NE ARG A 45 -1.370 13.796 -0.261 1.00 0.00 N ATOM 686 CZ ARG A 45 -1.443 15.019 0.263 1.00 0.00 C ATOM 687 NH1 ARG A 45 -1.707 15.186 1.553 1.00 0.00 N ATOM 688 NH2 ARG A 45 -1.248 16.079 -0.509 1.00 0.00 N ATOM 0 H ARG A 45 -0.547 7.811 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.947 9.020 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.652 9.751 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.384 10.321 -0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.168 11.765 -1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.236 11.338 -0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.220 12.767 1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.618 12.222 0.898 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.159 13.714 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.856 14.374 2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.761 16.126 1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.043 15.957 -1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.303 17.017 -0.111 1.00 0.00 H new ATOM 702 N ASP A 46 -0.435 8.716 -3.145 1.00 0.00 N ATOM 703 CA ASP A 46 0.139 9.001 -4.462 1.00 0.00 C ATOM 704 C ASP A 46 0.490 10.490 -4.572 1.00 0.00 C ATOM 705 O ASP A 46 1.257 10.999 -3.761 1.00 0.00 O ATOM 706 CB ASP A 46 -0.831 8.563 -5.571 1.00 0.00 C ATOM 707 CG ASP A 46 -2.202 9.208 -5.450 1.00 0.00 C ATOM 708 OD1 ASP A 46 -2.959 8.836 -4.531 1.00 0.00 O ATOM 709 OD2 ASP A 46 -2.516 10.089 -6.279 1.00 0.00 O ATOM 0 H ASP A 46 -0.070 7.875 -2.698 1.00 0.00 H new ATOM 0 HA ASP A 46 1.060 8.431 -4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.402 8.814 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.942 7.479 -5.542 1.00 0.00 H new ATOM 714 N THR A 47 -0.079 11.197 -5.545 1.00 0.00 N ATOM 715 CA THR A 47 0.183 12.623 -5.690 1.00 0.00 C ATOM 716 C THR A 47 -1.025 13.436 -5.225 1.00 0.00 C ATOM 717 O THR A 47 -0.947 14.654 -5.067 1.00 0.00 O ATOM 718 CB THR A 47 0.517 12.968 -7.142 1.00 0.00 C ATOM 719 OG1 THR A 47 0.835 14.343 -7.271 1.00 0.00 O ATOM 720 CG2 THR A 47 -0.610 12.665 -8.105 1.00 0.00 C ATOM 0 H THR A 47 -0.719 10.809 -6.238 1.00 0.00 H new ATOM 0 HA THR A 47 1.041 12.875 -5.067 1.00 0.00 H new ATOM 0 HB THR A 47 1.370 12.340 -7.398 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.412 14.846 -6.544 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.306 12.933 -9.117 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.845 11.601 -8.067 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.492 13.242 -7.826 1.00 0.00 H new ATOM 728 N GLN A 48 -2.138 12.741 -5.002 1.00 0.00 N ATOM 729 CA GLN A 48 -3.374 13.366 -4.548 1.00 0.00 C ATOM 730 C GLN A 48 -4.439 12.297 -4.323 1.00 0.00 C ATOM 731 O GLN A 48 -4.492 11.304 -5.047 1.00 0.00 O ATOM 732 CB GLN A 48 -3.862 14.397 -5.568 1.00 0.00 C ATOM 733 CG GLN A 48 -3.385 15.810 -5.274 1.00 0.00 C ATOM 734 CD GLN A 48 -4.506 16.829 -5.325 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.443 16.699 -6.115 1.00 0.00 O ATOM 736 NE2 GLN A 48 -4.417 17.851 -4.483 1.00 0.00 N ATOM 0 H GLN A 48 -2.207 11.732 -5.131 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.183 13.882 -3.607 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.520 14.105 -6.561 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.952 14.387 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.922 15.835 -4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.615 16.086 -5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.623 17.919 -3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.142 18.568 -4.473 1.00 0.00 H new ATOM 745 N ALA A 49 -5.274 12.492 -3.307 1.00 0.00 N ATOM 746 CA ALA A 49 -6.317 11.522 -2.991 1.00 0.00 C ATOM 747 C ALA A 49 -5.690 10.197 -2.572 1.00 0.00 C ATOM 748 O ALA A 49 -4.473 10.107 -2.418 1.00 0.00 O ATOM 749 CB ALA A 49 -7.243 11.323 -4.182 1.00 0.00 C ATOM 0 H ALA A 49 -5.250 13.306 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.910 11.906 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.014 10.596 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.711 12.272 -4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.668 10.958 -5.033 1.00 0.00 H new ATOM 755 N VAL A 50 -6.514 9.171 -2.387 1.00 0.00 N ATOM 756 CA VAL A 50 -6.003 7.864 -1.985 1.00 0.00 C ATOM 757 C VAL A 50 -6.120 6.841 -3.105 1.00 0.00 C ATOM 758 O VAL A 50 -7.091 6.828 -3.862 1.00 0.00 O ATOM 759 CB VAL A 50 -6.723 7.319 -0.735 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.167 5.950 -0.352 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.588 8.295 0.419 1.00 0.00 C ATOM 0 H VAL A 50 -7.526 9.216 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.950 8.018 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.782 7.204 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.687 5.581 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.315 5.253 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.102 6.037 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.101 7.897 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.533 8.440 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.033 9.251 0.141 1.00 0.00 H new ATOM 771 N ARG A 51 -5.120 5.973 -3.182 1.00 0.00 N ATOM 772 CA ARG A 51 -5.085 4.917 -4.179 1.00 0.00 C ATOM 773 C ARG A 51 -4.824 3.583 -3.498 1.00 0.00 C ATOM 774 O ARG A 51 -3.716 3.324 -3.033 1.00 0.00 O ATOM 775 CB ARG A 51 -3.993 5.189 -5.210 1.00 0.00 C ATOM 776 CG ARG A 51 -4.222 6.444 -6.028 1.00 0.00 C ATOM 777 CD ARG A 51 -3.626 6.317 -7.420 1.00 0.00 C ATOM 778 NE ARG A 51 -4.495 6.900 -8.441 1.00 0.00 N ATOM 779 CZ ARG A 51 -4.448 6.577 -9.732 1.00 0.00 C ATOM 780 NH1 ARG A 51 -3.575 5.678 -10.168 1.00 0.00 N ATOM 781 NH2 ARG A 51 -5.277 7.155 -10.589 1.00 0.00 N ATOM 0 H ARG A 51 -4.314 5.983 -2.557 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.047 4.886 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.035 5.271 -4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.922 4.335 -5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.292 6.639 -6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.778 7.299 -5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.655 6.811 -7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.455 5.265 -7.647 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.179 7.597 -8.146 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.934 5.230 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.544 5.435 -11.158 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.950 7.847 -10.260 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.242 6.908 -11.578 1.00 0.00 H new ATOM 795 N HIS A 52 -5.847 2.749 -3.421 1.00 0.00 N ATOM 796 CA HIS A 52 -5.710 1.455 -2.773 1.00 0.00 C ATOM 797 C HIS A 52 -5.288 0.390 -3.776 1.00 0.00 C ATOM 798 O HIS A 52 -5.508 0.537 -4.978 1.00 0.00 O ATOM 799 CB HIS A 52 -7.022 1.076 -2.092 1.00 0.00 C ATOM 800 CG HIS A 52 -7.458 2.127 -1.135 1.00 0.00 C ATOM 801 ND1 HIS A 52 -6.980 2.192 0.147 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.233 3.222 -1.306 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.422 3.285 0.724 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.192 3.933 -0.131 1.00 0.00 N ATOM 0 H HIS A 52 -6.776 2.942 -3.796 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.930 1.521 -2.014 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.795 0.924 -2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.900 0.129 -1.565 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.374 1.498 0.585 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.781 3.488 -2.198 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.194 3.602 1.731 1.00 0.00 H new ATOM 813 N TYR A 53 -4.651 -0.666 -3.285 1.00 0.00 N ATOM 814 CA TYR A 53 -4.170 -1.724 -4.158 1.00 0.00 C ATOM 815 C TYR A 53 -4.280 -3.102 -3.521 1.00 0.00 C ATOM 816 O TYR A 53 -4.174 -3.251 -2.304 1.00 0.00 O ATOM 817 CB TYR A 53 -2.709 -1.455 -4.512 1.00 0.00 C ATOM 818 CG TYR A 53 -2.412 0.001 -4.776 1.00 0.00 C ATOM 819 CD1 TYR A 53 -2.722 0.573 -5.998 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.815 0.798 -3.806 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.447 1.900 -6.254 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.534 2.127 -4.056 1.00 0.00 C ATOM 823 CZ TYR A 53 -1.852 2.672 -5.280 1.00 0.00 C ATOM 824 OH TYR A 53 -1.568 3.992 -5.535 1.00 0.00 O ATOM 0 H TYR A 53 -4.458 -0.810 -2.294 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.797 -1.722 -5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.076 -1.805 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.444 -2.038 -5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.187 -0.030 -6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.568 0.373 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.697 2.331 -7.212 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.067 2.736 -3.296 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.003 4.265 -6.370 1.00 0.00 H new ATOM 834 N LYS A 54 -4.454 -4.107 -4.369 1.00 0.00 N ATOM 835 CA LYS A 54 -4.536 -5.490 -3.927 1.00 0.00 C ATOM 836 C LYS A 54 -3.186 -6.154 -4.107 1.00 0.00 C ATOM 837 O LYS A 54 -2.750 -6.395 -5.231 1.00 0.00 O ATOM 838 CB LYS A 54 -5.594 -6.255 -4.723 1.00 0.00 C ATOM 839 CG LYS A 54 -5.836 -7.668 -4.214 1.00 0.00 C ATOM 840 CD LYS A 54 -5.487 -8.708 -5.267 1.00 0.00 C ATOM 841 CE LYS A 54 -6.386 -8.589 -6.488 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.631 -8.147 -7.693 1.00 0.00 N ATOM 0 H LYS A 54 -4.542 -3.986 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.821 -5.504 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.532 -5.701 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.287 -6.302 -5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.238 -7.841 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.881 -7.778 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.446 -8.588 -5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.582 -9.706 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.857 -9.552 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.187 -7.879 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.231 -7.522 -8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.777 -7.632 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.357 -8.978 -8.255 1.00 0.00 H new ATOM 856 N ILE A 55 -2.538 -6.462 -2.999 1.00 0.00 N ATOM 857 CA ILE A 55 -1.246 -7.110 -3.026 1.00 0.00 C ATOM 858 C ILE A 55 -1.466 -8.605 -2.876 1.00 0.00 C ATOM 859 O ILE A 55 -1.660 -9.104 -1.769 1.00 0.00 O ATOM 860 CB ILE A 55 -0.316 -6.601 -1.900 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.698 -5.193 -1.418 1.00 0.00 C ATOM 862 CG2 ILE A 55 1.131 -6.607 -2.363 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.478 -5.000 0.067 1.00 0.00 C ATOM 0 H ILE A 55 -2.892 -6.270 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.757 -6.878 -3.972 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.436 -7.284 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.112 -4.455 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.746 -5.006 -1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.772 -6.246 -1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.423 -7.622 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.238 -5.957 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.765 -3.987 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.085 -5.717 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.575 -5.157 0.302 1.00 0.00 H new ATOM 875 N TRP A 56 -1.486 -9.302 -4.001 1.00 0.00 N ATOM 876 CA TRP A 56 -1.749 -10.734 -4.012 1.00 0.00 C ATOM 877 C TRP A 56 -0.493 -11.554 -3.744 1.00 0.00 C ATOM 878 O TRP A 56 0.572 -11.294 -4.301 1.00 0.00 O ATOM 879 CB TRP A 56 -2.371 -11.123 -5.355 1.00 0.00 C ATOM 880 CG TRP A 56 -3.305 -12.295 -5.275 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.102 -13.468 -4.604 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.590 -12.408 -5.897 1.00 0.00 C ATOM 883 NE1 TRP A 56 -4.183 -14.299 -4.768 1.00 0.00 N ATOM 884 CE2 TRP A 56 -5.110 -13.672 -5.558 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.352 -11.562 -6.706 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -6.357 -14.107 -6.000 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.589 -11.995 -7.145 1.00 0.00 C ATOM 888 CH2 TRP A 56 -7.081 -13.258 -6.791 1.00 0.00 C ATOM 0 H TRP A 56 -1.322 -8.898 -4.923 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.446 -10.957 -3.204 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.912 -10.266 -5.756 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.573 -11.354 -6.061 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.220 -13.707 -4.028 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.280 -15.232 -4.367 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.981 -10.586 -6.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.739 -15.080 -5.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.186 -11.349 -7.771 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.051 -13.567 -7.150 1.00 0.00 H new ATOM 899 N ARG A 57 -0.645 -12.555 -2.881 1.00 0.00 N ATOM 900 CA ARG A 57 0.450 -13.443 -2.514 1.00 0.00 C ATOM 901 C ARG A 57 0.581 -14.572 -3.533 1.00 0.00 C ATOM 902 O ARG A 57 -0.394 -14.951 -4.180 1.00 0.00 O ATOM 903 CB ARG A 57 0.201 -14.014 -1.115 1.00 0.00 C ATOM 904 CG ARG A 57 1.272 -14.979 -0.632 1.00 0.00 C ATOM 905 CD ARG A 57 0.750 -15.858 0.494 1.00 0.00 C ATOM 906 NE ARG A 57 1.593 -17.031 0.716 1.00 0.00 N ATOM 907 CZ ARG A 57 2.687 -17.028 1.474 1.00 0.00 C ATOM 908 NH1 ARG A 57 3.087 -15.914 2.075 1.00 0.00 N ATOM 909 NH2 ARG A 57 3.388 -18.143 1.628 1.00 0.00 N ATOM 0 H ARG A 57 -1.528 -12.771 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 57 1.382 -12.877 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.126 -13.189 -0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.761 -14.526 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.604 -15.604 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.141 -14.419 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.694 -15.274 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.264 -16.181 0.260 1.00 0.00 H new ATOM 0 HE ARG A 57 1.327 -17.905 0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.555 -15.052 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.927 -15.920 2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.089 -19.002 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.227 -18.142 2.209 1.00 0.00 H new ATOM 923 N ARG A 58 1.792 -15.097 -3.680 1.00 0.00 N ATOM 924 CA ARG A 58 2.046 -16.173 -4.632 1.00 0.00 C ATOM 925 C ARG A 58 1.950 -17.544 -3.966 1.00 0.00 C ATOM 926 O ARG A 58 2.604 -18.497 -4.390 1.00 0.00 O ATOM 927 CB ARG A 58 3.428 -15.993 -5.259 1.00 0.00 C ATOM 928 CG ARG A 58 3.398 -15.275 -6.601 1.00 0.00 C ATOM 929 CD ARG A 58 3.852 -16.181 -7.736 1.00 0.00 C ATOM 930 NE ARG A 58 2.752 -16.527 -8.633 1.00 0.00 N ATOM 931 CZ ARG A 58 2.775 -17.563 -9.471 1.00 0.00 C ATOM 932 NH1 ARG A 58 3.838 -18.357 -9.527 1.00 0.00 N ATOM 933 NH2 ARG A 58 1.733 -17.804 -10.254 1.00 0.00 N ATOM 0 H ARG A 58 2.612 -14.796 -3.154 1.00 0.00 H new ATOM 0 HA ARG A 58 1.282 -16.124 -5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.060 -15.433 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.889 -16.972 -5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.387 -14.920 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.041 -14.396 -6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.640 -15.685 -8.303 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.283 -17.093 -7.322 1.00 0.00 H new ATOM 0 HE ARG A 58 1.917 -15.941 -8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.642 -18.175 -8.927 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.850 -19.148 -10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.914 -17.197 -10.215 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.750 -18.597 -10.896 1.00 0.00 H new ATOM 947 N ALA A 59 1.128 -17.640 -2.923 1.00 0.00 N ATOM 948 CA ALA A 59 0.945 -18.897 -2.202 1.00 0.00 C ATOM 949 C ALA A 59 2.286 -19.540 -1.849 1.00 0.00 C ATOM 950 O ALA A 59 2.377 -20.757 -1.692 1.00 0.00 O ATOM 951 CB ALA A 59 0.100 -19.858 -3.024 1.00 0.00 C ATOM 0 H ALA A 59 0.578 -16.862 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 59 0.426 -18.674 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.028 -20.791 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.876 -19.412 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.598 -20.061 -3.972 1.00 0.00 H new ATOM 957 N GLY A 60 3.321 -18.715 -1.725 1.00 0.00 N ATOM 958 CA GLY A 60 4.638 -19.226 -1.392 1.00 0.00 C ATOM 959 C GLY A 60 5.640 -18.121 -1.121 1.00 0.00 C ATOM 960 O GLY A 60 6.839 -18.293 -1.343 1.00 0.00 O ATOM 0 H GLY A 60 3.271 -17.704 -1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.564 -19.867 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.000 -19.847 -2.211 1.00 0.00 H new ATOM 964 N GLY A 61 5.152 -16.985 -0.636 1.00 0.00 N ATOM 965 CA GLY A 61 6.027 -15.867 -0.340 1.00 0.00 C ATOM 966 C GLY A 61 6.376 -15.055 -1.572 1.00 0.00 C ATOM 967 O GLY A 61 7.434 -15.248 -2.171 1.00 0.00 O ATOM 0 H GLY A 61 4.164 -16.819 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.547 -15.219 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.944 -16.240 0.116 1.00 0.00 H new ATOM 971 N ARG A 62 5.485 -14.142 -1.950 1.00 0.00 N ATOM 972 CA ARG A 62 5.704 -13.290 -3.117 1.00 0.00 C ATOM 973 C ARG A 62 4.478 -12.426 -3.395 1.00 0.00 C ATOM 974 O ARG A 62 3.485 -12.892 -3.951 1.00 0.00 O ATOM 975 CB ARG A 62 6.047 -14.135 -4.347 1.00 0.00 C ATOM 976 CG ARG A 62 7.397 -13.800 -4.960 1.00 0.00 C ATOM 977 CD ARG A 62 7.879 -14.903 -5.887 1.00 0.00 C ATOM 978 NE ARG A 62 7.527 -14.639 -7.280 1.00 0.00 N ATOM 979 CZ ARG A 62 7.588 -15.554 -8.246 1.00 0.00 C ATOM 980 NH1 ARG A 62 7.986 -16.790 -7.974 1.00 0.00 N ATOM 981 NH2 ARG A 62 7.250 -15.231 -9.486 1.00 0.00 N ATOM 0 H ARG A 62 4.604 -13.973 -1.465 1.00 0.00 H new ATOM 0 HA ARG A 62 6.547 -12.633 -2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.036 -15.189 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.271 -13.996 -5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.324 -12.864 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.129 -13.644 -4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.961 -15.004 -5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.444 -15.853 -5.577 1.00 0.00 H new ATOM 0 HE ARG A 62 7.216 -13.699 -7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.247 -17.044 -7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.031 -17.487 -8.718 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.943 -14.282 -9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.297 -15.931 -10.226 1.00 0.00 H new ATOM 995 N LEU A 63 4.565 -11.160 -3.002 1.00 0.00 N ATOM 996 CA LEU A 63 3.477 -10.211 -3.202 1.00 0.00 C ATOM 997 C LEU A 63 3.550 -9.598 -4.590 1.00 0.00 C ATOM 998 O LEU A 63 4.633 -9.390 -5.128 1.00 0.00 O ATOM 999 CB LEU A 63 3.533 -9.104 -2.149 1.00 0.00 C ATOM 1000 CG LEU A 63 3.058 -9.517 -0.758 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.545 -9.660 -0.737 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.725 -10.815 -0.328 1.00 0.00 C ATOM 0 H LEU A 63 5.384 -10.766 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 63 2.535 -10.751 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.559 -8.744 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.925 -8.266 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 63 3.341 -8.738 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.221 -9.955 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.086 -8.707 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.241 -10.421 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.374 -11.093 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.474 -11.605 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.806 -10.678 -0.306 1.00 0.00 H new ATOM 1014 N HIS A 64 2.393 -9.305 -5.160 1.00 0.00 N ATOM 1015 CA HIS A 64 2.332 -8.710 -6.482 1.00 0.00 C ATOM 1016 C HIS A 64 1.030 -7.948 -6.670 1.00 0.00 C ATOM 1017 O HIS A 64 -0.008 -8.538 -6.969 1.00 0.00 O ATOM 1018 CB HIS A 64 2.484 -9.784 -7.564 1.00 0.00 C ATOM 1019 CG HIS A 64 1.366 -10.780 -7.601 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.283 -10.664 -8.445 1.00 0.00 N ATOM 1021 CD2 HIS A 64 1.174 -11.922 -6.900 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.527 -11.691 -8.263 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.008 -12.470 -7.330 1.00 0.00 N ATOM 0 H HIS A 64 1.484 -9.470 -4.727 1.00 0.00 H new ATOM 0 HA HIS A 64 3.158 -8.005 -6.576 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.554 -9.297 -8.537 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.423 -10.314 -7.405 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.131 -9.903 -9.107 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.829 -12.327 -6.143 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.455 -11.865 -8.787 1.00 0.00 H new ATOM 1032 N LEU A 65 1.087 -6.635 -6.499 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.098 -5.811 -6.666 1.00 0.00 C ATOM 1034 C LEU A 65 -0.573 -5.867 -8.116 1.00 0.00 C ATOM 1035 O LEU A 65 -1.725 -5.562 -8.422 1.00 0.00 O ATOM 1036 CB LEU A 65 0.185 -4.367 -6.257 1.00 0.00 C ATOM 1037 CG LEU A 65 0.634 -4.189 -4.808 1.00 0.00 C ATOM 1038 CD1 LEU A 65 2.145 -4.298 -4.708 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.150 -2.857 -4.258 1.00 0.00 C ATOM 0 H LEU A 65 1.933 -6.123 -6.247 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.884 -6.201 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.955 -3.962 -6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.716 -3.775 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 65 0.192 -4.983 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.451 -4.169 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.463 -5.279 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.607 -3.524 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.480 -2.749 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.561 -2.045 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.939 -2.821 -4.297 1.00 0.00 H new ATOM 1051 N ASN A 66 0.337 -6.273 -8.994 1.00 0.00 N ATOM 1052 CA ASN A 66 0.051 -6.395 -10.417 1.00 0.00 C ATOM 1053 C ASN A 66 0.701 -7.655 -10.980 1.00 0.00 C ATOM 1054 O ASN A 66 1.476 -8.323 -10.294 1.00 0.00 O ATOM 1055 CB ASN A 66 0.555 -5.165 -11.172 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.320 -4.818 -12.361 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -1.541 -4.963 -12.312 1.00 0.00 O ATOM 1058 ND2 ASN A 66 0.304 -4.356 -13.439 1.00 0.00 N ATOM 0 H ASN A 66 1.292 -6.526 -8.739 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.029 -6.466 -10.546 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.593 -4.314 -10.491 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.574 -5.345 -11.514 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.232 -4.105 -14.270 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.319 -4.252 -13.435 1.00 0.00 H new ATOM 1065 N GLU A 67 0.384 -7.974 -12.230 1.00 0.00 N ATOM 1066 CA GLU A 67 0.936 -9.161 -12.878 1.00 0.00 C ATOM 1067 C GLU A 67 2.365 -8.930 -13.374 1.00 0.00 C ATOM 1068 O GLU A 67 2.855 -9.671 -14.226 1.00 0.00 O ATOM 1069 CB GLU A 67 0.045 -9.584 -14.047 1.00 0.00 C ATOM 1070 CG GLU A 67 -0.975 -10.650 -13.679 1.00 0.00 C ATOM 1071 CD GLU A 67 -1.137 -11.700 -14.761 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -0.113 -12.108 -15.350 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -2.286 -12.113 -15.020 1.00 0.00 O ATOM 0 H GLU A 67 -0.250 -7.430 -12.815 1.00 0.00 H new ATOM 0 HA GLU A 67 0.967 -9.955 -12.132 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.479 -8.708 -14.429 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.673 -9.958 -14.855 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.671 -11.134 -12.751 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.938 -10.176 -13.490 1.00 0.00 H new ATOM 1080 N ALA A 68 3.036 -7.910 -12.843 1.00 0.00 N ATOM 1081 CA ALA A 68 4.404 -7.613 -13.248 1.00 0.00 C ATOM 1082 C ALA A 68 5.219 -7.012 -12.103 1.00 0.00 C ATOM 1083 O ALA A 68 6.282 -6.435 -12.331 1.00 0.00 O ATOM 1084 CB ALA A 68 4.403 -6.676 -14.448 1.00 0.00 C ATOM 0 H ALA A 68 2.656 -7.280 -12.136 1.00 0.00 H new ATOM 0 HA ALA A 68 4.879 -8.554 -13.527 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.430 -6.461 -14.742 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.879 -7.149 -15.279 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.899 -5.746 -14.183 1.00 0.00 H new ATOM 1090 N VAL A 69 4.725 -7.143 -10.871 1.00 0.00 N ATOM 1091 CA VAL A 69 5.432 -6.603 -9.714 1.00 0.00 C ATOM 1092 C VAL A 69 5.447 -7.598 -8.554 1.00 0.00 C ATOM 1093 O VAL A 69 4.964 -7.301 -7.461 1.00 0.00 O ATOM 1094 CB VAL A 69 4.803 -5.274 -9.243 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.795 -4.257 -10.374 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.393 -5.497 -8.713 1.00 0.00 C ATOM 0 H VAL A 69 3.847 -7.614 -10.652 1.00 0.00 H new ATOM 0 HA VAL A 69 6.458 -6.417 -10.030 1.00 0.00 H new ATOM 0 HB VAL A 69 5.412 -4.881 -8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.348 -3.327 -10.024 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.818 -4.068 -10.701 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.214 -4.647 -11.210 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.972 -4.546 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.770 -5.919 -9.502 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.426 -6.187 -7.870 1.00 0.00 H new ATOM 1106 N SER A 70 6.000 -8.781 -8.798 1.00 0.00 N ATOM 1107 CA SER A 70 6.064 -9.818 -7.772 1.00 0.00 C ATOM 1108 C SER A 70 7.298 -9.662 -6.884 1.00 0.00 C ATOM 1109 O SER A 70 8.410 -9.470 -7.376 1.00 0.00 O ATOM 1110 CB SER A 70 6.066 -11.203 -8.422 1.00 0.00 C ATOM 1111 OG SER A 70 5.005 -11.331 -9.353 1.00 0.00 O ATOM 0 H SER A 70 6.409 -9.046 -9.694 1.00 0.00 H new ATOM 0 HA SER A 70 5.181 -9.711 -7.141 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.018 -11.370 -8.926 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.973 -11.969 -7.653 1.00 0.00 H new ATOM 0 HG SER A 70 5.029 -12.224 -9.756 1.00 0.00 H new ATOM 1117 N PHE A 71 7.090 -9.753 -5.572 1.00 0.00 N ATOM 1118 CA PHE A 71 8.177 -9.632 -4.606 1.00 0.00 C ATOM 1119 C PHE A 71 7.886 -10.443 -3.348 1.00 0.00 C ATOM 1120 O PHE A 71 6.881 -10.232 -2.674 1.00 0.00 O ATOM 1121 CB PHE A 71 8.420 -8.166 -4.255 1.00 0.00 C ATOM 1122 CG PHE A 71 9.517 -7.547 -5.073 1.00 0.00 C ATOM 1123 CD1 PHE A 71 9.244 -6.982 -6.308 1.00 0.00 C ATOM 1124 CD2 PHE A 71 10.823 -7.542 -4.612 1.00 0.00 C ATOM 1125 CE1 PHE A 71 10.253 -6.420 -7.066 1.00 0.00 C ATOM 1126 CE2 PHE A 71 11.836 -6.983 -5.366 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.551 -6.422 -6.594 1.00 0.00 C ATOM 0 H PHE A 71 6.173 -9.911 -5.153 1.00 0.00 H new ATOM 0 HA PHE A 71 9.081 -10.034 -5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.499 -7.603 -4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.672 -8.087 -3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.231 -6.981 -6.682 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.052 -7.980 -3.652 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.027 -5.980 -8.026 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.850 -6.985 -4.995 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.342 -5.985 -7.185 1.00 0.00 H new ATOM 1137 N LEU A 72 8.795 -11.374 -3.067 1.00 0.00 N ATOM 1138 CA LEU A 72 8.722 -12.278 -1.911 1.00 0.00 C ATOM 1139 C LEU A 72 7.822 -11.772 -0.778 1.00 0.00 C ATOM 1140 O LEU A 72 7.062 -12.546 -0.197 1.00 0.00 O ATOM 1141 CB LEU A 72 10.131 -12.503 -1.372 1.00 0.00 C ATOM 1142 CG LEU A 72 11.001 -11.246 -1.332 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.777 -10.490 -0.030 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.468 -11.607 -1.501 1.00 0.00 C ATOM 0 H LEU A 72 9.621 -11.528 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 72 8.273 -13.205 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.060 -12.913 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.627 -13.254 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 72 10.714 -10.597 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.403 -9.598 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.729 -10.200 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.039 -11.130 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.072 -10.700 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.774 -12.274 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.612 -12.106 -2.459 1.00 0.00 H new ATOM 1156 N SER A 73 7.920 -10.488 -0.450 1.00 0.00 N ATOM 1157 CA SER A 73 7.118 -9.924 0.631 1.00 0.00 C ATOM 1158 C SER A 73 6.748 -8.472 0.362 1.00 0.00 C ATOM 1159 O SER A 73 7.351 -7.812 -0.484 1.00 0.00 O ATOM 1160 CB SER A 73 7.877 -10.026 1.955 1.00 0.00 C ATOM 1161 OG SER A 73 6.991 -9.953 3.058 1.00 0.00 O ATOM 0 H SER A 73 8.541 -9.823 -0.912 1.00 0.00 H new ATOM 0 HA SER A 73 6.195 -10.500 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.429 -10.965 1.990 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.611 -9.222 2.020 1.00 0.00 H new ATOM 0 HG SER A 73 7.501 -10.022 3.892 1.00 0.00 H new ATOM 1167 N LEU A 74 5.753 -7.976 1.098 1.00 0.00 N ATOM 1168 CA LEU A 74 5.309 -6.596 0.946 1.00 0.00 C ATOM 1169 C LEU A 74 6.496 -5.640 1.023 1.00 0.00 C ATOM 1170 O LEU A 74 6.700 -4.819 0.136 1.00 0.00 O ATOM 1171 CB LEU A 74 4.302 -6.221 2.028 1.00 0.00 C ATOM 1172 CG LEU A 74 2.886 -5.926 1.533 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.914 -5.121 0.240 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.095 -7.212 1.355 1.00 0.00 C ATOM 0 H LEU A 74 5.243 -8.509 1.802 1.00 0.00 H new ATOM 0 HA LEU A 74 4.832 -6.512 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.253 -7.034 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.673 -5.344 2.558 1.00 0.00 H new ATOM 0 HG LEU A 74 2.385 -5.324 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.893 -4.926 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.427 -4.175 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.441 -5.686 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.091 -6.976 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.595 -7.849 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.031 -7.735 2.309 1.00 0.00 H new ATOM 1186 N PRO A 75 7.299 -5.742 2.102 1.00 0.00 N ATOM 1187 CA PRO A 75 8.472 -4.887 2.303 1.00 0.00 C ATOM 1188 C PRO A 75 9.274 -4.706 1.022 1.00 0.00 C ATOM 1189 O PRO A 75 9.506 -3.584 0.574 1.00 0.00 O ATOM 1190 CB PRO A 75 9.283 -5.658 3.341 1.00 0.00 C ATOM 1191 CG PRO A 75 8.267 -6.396 4.144 1.00 0.00 C ATOM 1192 CD PRO A 75 7.124 -6.702 3.211 1.00 0.00 C ATOM 0 HA PRO A 75 8.204 -3.877 2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.985 -6.343 2.866 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.868 -4.984 3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.689 -7.313 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.929 -5.795 4.988 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.163 -7.732 2.857 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.161 -6.571 3.704 1.00 0.00 H new ATOM 1200 N GLU A 76 9.679 -5.821 0.428 1.00 0.00 N ATOM 1201 CA GLU A 76 10.436 -5.790 -0.812 1.00 0.00 C ATOM 1202 C GLU A 76 9.543 -5.317 -1.950 1.00 0.00 C ATOM 1203 O GLU A 76 9.975 -4.575 -2.832 1.00 0.00 O ATOM 1204 CB GLU A 76 11.003 -7.175 -1.118 1.00 0.00 C ATOM 1205 CG GLU A 76 11.886 -7.728 -0.012 1.00 0.00 C ATOM 1206 CD GLU A 76 12.959 -6.749 0.427 1.00 0.00 C ATOM 1207 OE1 GLU A 76 14.025 -6.708 -0.222 1.00 0.00 O ATOM 1208 OE2 GLU A 76 12.732 -6.026 1.420 1.00 0.00 O ATOM 0 H GLU A 76 9.495 -6.758 0.787 1.00 0.00 H new ATOM 0 HA GLU A 76 11.267 -5.093 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.178 -7.866 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.579 -7.127 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.266 -7.989 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.358 -8.648 -0.356 1.00 0.00 H new ATOM 1215 N LEU A 77 8.284 -5.744 -1.909 1.00 0.00 N ATOM 1216 CA LEU A 77 7.307 -5.360 -2.921 1.00 0.00 C ATOM 1217 C LEU A 77 7.150 -3.841 -2.950 1.00 0.00 C ATOM 1218 O LEU A 77 7.185 -3.223 -4.014 1.00 0.00 O ATOM 1219 CB LEU A 77 5.961 -6.044 -2.632 1.00 0.00 C ATOM 1220 CG LEU A 77 4.709 -5.376 -3.222 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.218 -4.251 -2.317 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.973 -4.859 -4.632 1.00 0.00 C ATOM 0 H LEU A 77 7.916 -6.358 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 77 7.657 -5.685 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.011 -7.066 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.836 -6.107 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 77 3.926 -6.131 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.331 -3.793 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.971 -4.655 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.001 -3.500 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.069 -4.392 -5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.779 -4.125 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.260 -5.690 -5.276 1.00 0.00 H new ATOM 1234 N VAL A 78 6.990 -3.248 -1.772 1.00 0.00 N ATOM 1235 CA VAL A 78 6.843 -1.807 -1.654 1.00 0.00 C ATOM 1236 C VAL A 78 8.123 -1.112 -2.106 1.00 0.00 C ATOM 1237 O VAL A 78 8.085 0.003 -2.628 1.00 0.00 O ATOM 1238 CB VAL A 78 6.485 -1.401 -0.203 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.646 0.100 0.021 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.063 -1.842 0.124 1.00 0.00 C ATOM 0 H VAL A 78 6.959 -3.748 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 78 6.024 -1.491 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 78 7.180 -1.905 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.385 0.344 1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.680 0.387 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.988 0.642 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.818 -1.553 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.366 -1.364 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.986 -2.925 0.025 1.00 0.00 H new ATOM 1250 N ASN A 79 9.255 -1.790 -1.929 1.00 0.00 N ATOM 1251 CA ASN A 79 10.539 -1.247 -2.350 1.00 0.00 C ATOM 1252 C ASN A 79 10.545 -1.070 -3.862 1.00 0.00 C ATOM 1253 O ASN A 79 10.864 0.002 -4.376 1.00 0.00 O ATOM 1254 CB ASN A 79 11.681 -2.170 -1.920 1.00 0.00 C ATOM 1255 CG ASN A 79 13.046 -1.561 -2.180 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.430 -1.336 -3.328 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.788 -1.292 -1.111 1.00 0.00 N ATOM 0 H ASN A 79 9.307 -2.713 -1.498 1.00 0.00 H new ATOM 0 HA ASN A 79 10.687 -0.278 -1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.583 -2.395 -0.858 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.601 -3.116 -2.455 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.715 -0.883 -1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.430 -1.495 -0.178 1.00 0.00 H new ATOM 1264 N TYR A 80 10.158 -2.129 -4.569 1.00 0.00 N ATOM 1265 CA TYR A 80 10.085 -2.088 -6.021 1.00 0.00 C ATOM 1266 C TYR A 80 8.950 -1.166 -6.440 1.00 0.00 C ATOM 1267 O TYR A 80 9.066 -0.413 -7.407 1.00 0.00 O ATOM 1268 CB TYR A 80 9.863 -3.493 -6.584 1.00 0.00 C ATOM 1269 CG TYR A 80 9.659 -3.527 -8.083 1.00 0.00 C ATOM 1270 CD1 TYR A 80 10.638 -3.053 -8.948 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.487 -4.033 -8.632 1.00 0.00 C ATOM 1272 CE1 TYR A 80 10.454 -3.083 -10.317 1.00 0.00 C ATOM 1273 CE2 TYR A 80 8.297 -4.066 -10.000 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.283 -3.589 -10.838 1.00 0.00 C ATOM 1275 OH TYR A 80 9.097 -3.621 -12.201 1.00 0.00 O ATOM 0 H TYR A 80 9.891 -3.023 -4.158 1.00 0.00 H new ATOM 0 HA TYR A 80 11.026 -1.707 -6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.721 -4.116 -6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.993 -3.935 -6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.557 -2.655 -8.544 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.712 -4.406 -7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.225 -2.711 -10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.381 -4.463 -10.411 1.00 0.00 H new ATOM 0 HH TYR A 80 8.220 -4.009 -12.402 1.00 0.00 H new ATOM 1285 N HIS A 81 7.860 -1.215 -5.679 1.00 0.00 N ATOM 1286 CA HIS A 81 6.703 -0.368 -5.937 1.00 0.00 C ATOM 1287 C HIS A 81 7.122 1.096 -5.894 1.00 0.00 C ATOM 1288 O HIS A 81 6.546 1.942 -6.577 1.00 0.00 O ATOM 1289 CB HIS A 81 5.614 -0.629 -4.890 1.00 0.00 C ATOM 1290 CG HIS A 81 4.306 -1.064 -5.470 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.026 -1.942 -6.462 1.00 0.00 N flip ATOM 1292 CD2 HIS A 81 3.088 -0.586 -5.030 1.00 0.00 C flip ATOM 1293 CE1 HIS A 81 2.661 -1.977 -6.603 1.00 0.00 C flip ATOM 1294 NE2 HIS A 81 2.119 -1.152 -5.728 1.00 0.00 N flip ATOM 0 H HIS A 81 7.755 -1.835 -4.876 1.00 0.00 H new ATOM 0 HA HIS A 81 6.304 -0.601 -6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.965 -1.394 -4.198 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.458 0.280 -4.308 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.704 -2.478 -7.004 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.949 0.137 -4.240 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.119 -2.582 -7.315 1.00 0.00 H new ATOM 1303 N ARG A 82 8.136 1.382 -5.079 1.00 0.00 N ATOM 1304 CA ARG A 82 8.645 2.736 -4.933 1.00 0.00 C ATOM 1305 C ARG A 82 9.437 3.151 -6.158 1.00 0.00 C ATOM 1306 O ARG A 82 9.441 4.316 -6.550 1.00 0.00 O ATOM 1307 CB ARG A 82 9.514 2.838 -3.672 1.00 0.00 C ATOM 1308 CG ARG A 82 10.390 4.082 -3.617 1.00 0.00 C ATOM 1309 CD ARG A 82 10.912 4.334 -2.212 1.00 0.00 C ATOM 1310 NE ARG A 82 11.101 5.759 -1.945 1.00 0.00 N ATOM 1311 CZ ARG A 82 12.079 6.488 -2.476 1.00 0.00 C ATOM 1312 NH1 ARG A 82 12.957 5.934 -3.304 1.00 0.00 N ATOM 1313 NH2 ARG A 82 12.181 7.776 -2.179 1.00 0.00 N ATOM 0 H ARG A 82 8.620 0.688 -4.509 1.00 0.00 H new ATOM 0 HA ARG A 82 7.798 3.414 -4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.866 2.825 -2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.151 1.956 -3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.229 3.968 -4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.818 4.946 -3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.213 3.919 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.859 3.811 -2.078 1.00 0.00 H new ATOM 0 HE ARG A 82 10.445 6.221 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.884 4.944 -3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.704 6.499 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.510 8.208 -1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.931 8.335 -2.586 1.00 0.00 H new ATOM 1327 N ALA A 83 10.102 2.187 -6.751 1.00 0.00 N ATOM 1328 CA ALA A 83 10.901 2.439 -7.935 1.00 0.00 C ATOM 1329 C ALA A 83 10.007 2.574 -9.160 1.00 0.00 C ATOM 1330 O ALA A 83 9.981 3.613 -9.819 1.00 0.00 O ATOM 1331 CB ALA A 83 11.915 1.324 -8.138 1.00 0.00 C ATOM 0 H ALA A 83 10.108 1.217 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 83 11.441 3.376 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.506 1.528 -9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.573 1.269 -7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.393 0.375 -8.258 1.00 0.00 H new ATOM 1337 N GLN A 84 9.281 1.503 -9.459 1.00 0.00 N ATOM 1338 CA GLN A 84 8.383 1.474 -10.608 1.00 0.00 C ATOM 1339 C GLN A 84 6.935 1.781 -10.222 1.00 0.00 C ATOM 1340 O GLN A 84 6.370 1.139 -9.338 1.00 0.00 O ATOM 1341 CB GLN A 84 8.458 0.109 -11.298 1.00 0.00 C ATOM 1342 CG GLN A 84 8.892 0.186 -12.753 1.00 0.00 C ATOM 1343 CD GLN A 84 7.903 0.945 -13.617 1.00 0.00 C ATOM 1344 OE1 GLN A 84 6.974 0.363 -14.174 1.00 0.00 O ATOM 1345 NE2 GLN A 84 8.102 2.253 -13.733 1.00 0.00 N ATOM 0 H GLN A 84 9.297 0.638 -8.918 1.00 0.00 H new ATOM 0 HA GLN A 84 8.711 2.255 -11.294 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.155 -0.527 -10.753 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.481 -0.370 -11.244 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.867 0.670 -12.812 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.013 -0.823 -13.146 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.886 2.694 -13.253 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.470 2.816 -14.302 1.00 0.00 H new ATOM 1354 N SER A 85 6.331 2.739 -10.922 1.00 0.00 N ATOM 1355 CA SER A 85 4.934 3.100 -10.686 1.00 0.00 C ATOM 1356 C SER A 85 4.031 2.357 -11.674 1.00 0.00 C ATOM 1357 O SER A 85 2.946 2.828 -12.014 1.00 0.00 O ATOM 1358 CB SER A 85 4.733 4.609 -10.834 1.00 0.00 C ATOM 1359 OG SER A 85 5.930 5.249 -11.243 1.00 0.00 O ATOM 0 H SER A 85 6.787 3.279 -11.657 1.00 0.00 H new ATOM 0 HA SER A 85 4.670 2.813 -9.668 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.946 4.804 -11.563 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.399 5.029 -9.885 1.00 0.00 H new ATOM 0 HG SER A 85 5.772 6.212 -11.331 1.00 0.00 H new ATOM 1365 N LEU A 86 4.507 1.203 -12.144 1.00 0.00 N ATOM 1366 CA LEU A 86 3.780 0.384 -13.112 1.00 0.00 C ATOM 1367 C LEU A 86 2.283 0.325 -12.820 1.00 0.00 C ATOM 1368 O LEU A 86 1.480 0.928 -13.533 1.00 0.00 O ATOM 1369 CB LEU A 86 4.360 -1.032 -13.133 1.00 0.00 C ATOM 1370 CG LEU A 86 3.834 -1.927 -14.256 1.00 0.00 C ATOM 1371 CD1 LEU A 86 4.561 -1.633 -15.558 1.00 0.00 C ATOM 1372 CD2 LEU A 86 3.981 -3.393 -13.880 1.00 0.00 C ATOM 0 H LEU A 86 5.406 0.811 -11.864 1.00 0.00 H new ATOM 0 HA LEU A 86 3.901 0.853 -14.088 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.444 -0.963 -13.221 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.147 -1.510 -12.177 1.00 0.00 H new ATOM 0 HG LEU A 86 2.775 -1.713 -14.400 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.173 -2.279 -16.345 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.405 -0.590 -15.835 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.627 -1.818 -15.429 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.602 -4.016 -14.690 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.033 -3.621 -13.709 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.414 -3.594 -12.971 1.00 0.00 H new ATOM 1384 N SER A 87 1.912 -0.411 -11.779 1.00 0.00 N ATOM 1385 CA SER A 87 0.509 -0.553 -11.410 1.00 0.00 C ATOM 1386 C SER A 87 0.227 0.103 -10.066 1.00 0.00 C ATOM 1387 O SER A 87 -0.688 -0.300 -9.348 1.00 0.00 O ATOM 1388 CB SER A 87 0.122 -2.032 -11.359 1.00 0.00 C ATOM 1389 OG SER A 87 -1.186 -2.235 -11.867 1.00 0.00 O ATOM 0 H SER A 87 2.561 -0.917 -11.177 1.00 0.00 H new ATOM 0 HA SER A 87 -0.091 -0.051 -12.169 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.835 -2.618 -11.938 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.176 -2.390 -10.331 1.00 0.00 H new ATOM 0 HG SER A 87 -1.827 -1.715 -11.338 1.00 0.00 H new ATOM 1395 N HIS A 88 1.015 1.117 -9.732 1.00 0.00 N ATOM 1396 CA HIS A 88 0.843 1.826 -8.474 1.00 0.00 C ATOM 1397 C HIS A 88 0.466 3.286 -8.729 1.00 0.00 C ATOM 1398 O HIS A 88 0.588 3.780 -9.850 1.00 0.00 O ATOM 1399 CB HIS A 88 2.113 1.715 -7.628 1.00 0.00 C ATOM 1400 CG HIS A 88 1.983 2.327 -6.272 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.263 1.742 -5.255 1.00 0.00 N ATOM 1402 CD2 HIS A 88 2.495 3.470 -5.759 1.00 0.00 C ATOM 1403 CE1 HIS A 88 1.336 2.496 -4.178 1.00 0.00 C ATOM 1404 NE2 HIS A 88 2.078 3.552 -4.457 1.00 0.00 N ATOM 0 H HIS A 88 1.777 1.465 -10.314 1.00 0.00 H new ATOM 0 HA HIS A 88 0.026 1.367 -7.917 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.376 0.663 -7.519 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.935 2.196 -8.157 1.00 0.00 H new ATOM 0 HD1 HIS A 88 0.753 0.862 -5.325 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.116 4.184 -6.279 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.868 2.286 -3.227 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.025 3.955 -7.693 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.456 5.338 -7.826 1.00 0.00 C ATOM 1415 C GLY A 89 0.651 6.315 -8.169 1.00 0.00 C ATOM 1416 O GLY A 89 0.512 7.106 -9.103 1.00 0.00 O ATOM 0 H GLY A 89 -0.134 3.564 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.223 5.393 -8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.922 5.651 -6.892 1.00 0.00 H new ATOM 1420 N LEU A 90 1.738 6.292 -7.408 1.00 0.00 N ATOM 1421 CA LEU A 90 2.837 7.219 -7.644 1.00 0.00 C ATOM 1422 C LEU A 90 4.099 6.780 -6.907 1.00 0.00 C ATOM 1423 O LEU A 90 4.628 7.505 -6.067 1.00 0.00 O ATOM 1424 CB LEU A 90 2.409 8.629 -7.210 1.00 0.00 C ATOM 1425 CG LEU A 90 3.535 9.659 -7.043 1.00 0.00 C ATOM 1426 CD1 LEU A 90 3.261 10.898 -7.881 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.700 10.028 -5.575 1.00 0.00 C ATOM 0 H LEU A 90 1.882 5.648 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 90 3.073 7.226 -8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.700 9.013 -7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.875 8.549 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 90 4.465 9.213 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.072 11.614 -7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.194 10.619 -8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.321 11.351 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.502 10.759 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.770 10.454 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.947 9.135 -5.001 1.00 0.00 H new ATOM 1439 N ARG A 91 4.582 5.588 -7.241 1.00 0.00 N ATOM 1440 CA ARG A 91 5.793 5.043 -6.634 1.00 0.00 C ATOM 1441 C ARG A 91 5.821 5.243 -5.117 1.00 0.00 C ATOM 1442 O ARG A 91 6.088 6.344 -4.635 1.00 0.00 O ATOM 1443 CB ARG A 91 7.023 5.699 -7.262 1.00 0.00 C ATOM 1444 CG ARG A 91 7.524 4.992 -8.509 1.00 0.00 C ATOM 1445 CD ARG A 91 8.511 5.855 -9.279 1.00 0.00 C ATOM 1446 NE ARG A 91 8.419 5.639 -10.721 1.00 0.00 N ATOM 1447 CZ ARG A 91 9.001 6.421 -11.627 1.00 0.00 C ATOM 1448 NH1 ARG A 91 9.723 7.468 -11.247 1.00 0.00 N ATOM 1449 NH2 ARG A 91 8.862 6.155 -12.919 1.00 0.00 N ATOM 0 H ARG A 91 4.150 4.976 -7.934 1.00 0.00 H new ATOM 0 HA ARG A 91 5.801 3.970 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.784 6.733 -7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.825 5.727 -6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.001 4.053 -8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.679 4.742 -9.151 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.324 6.906 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.524 5.634 -8.943 1.00 0.00 H new ATOM 0 HE ARG A 91 7.877 4.842 -11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.835 7.678 -10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.166 8.063 -11.947 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.309 5.351 -13.218 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.308 6.754 -13.614 1.00 0.00 H new ATOM 1463 N LEU A 92 5.569 4.167 -4.369 1.00 0.00 N ATOM 1464 CA LEU A 92 5.589 4.220 -2.904 1.00 0.00 C ATOM 1465 C LEU A 92 6.772 5.055 -2.419 1.00 0.00 C ATOM 1466 O LEU A 92 7.912 4.790 -2.787 1.00 0.00 O ATOM 1467 CB LEU A 92 5.652 2.807 -2.338 1.00 0.00 C ATOM 1468 CG LEU A 92 4.328 2.047 -2.423 1.00 0.00 C ATOM 1469 CD1 LEU A 92 4.492 0.620 -1.938 1.00 0.00 C ATOM 1470 CD2 LEU A 92 3.262 2.762 -1.614 1.00 0.00 C ATOM 0 H LEU A 92 5.349 3.248 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 92 4.674 4.695 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.417 2.245 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.965 2.857 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 92 4.016 2.016 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.537 0.100 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.230 0.108 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.827 0.624 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.324 2.212 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.574 2.820 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.121 3.769 -2.007 1.00 0.00 H new ATOM 1482 N ALA A 93 6.500 6.086 -1.625 1.00 0.00 N ATOM 1483 CA ALA A 93 7.566 6.961 -1.148 1.00 0.00 C ATOM 1484 C ALA A 93 7.610 7.067 0.372 1.00 0.00 C ATOM 1485 O ALA A 93 8.510 6.526 1.014 1.00 0.00 O ATOM 1486 CB ALA A 93 7.415 8.345 -1.763 1.00 0.00 C ATOM 0 H ALA A 93 5.565 6.334 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 93 8.509 6.514 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.214 8.993 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.472 8.269 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.451 8.766 -1.479 1.00 0.00 H new ATOM 1492 N ALA A 94 6.652 7.788 0.943 1.00 0.00 N ATOM 1493 CA ALA A 94 6.610 7.985 2.383 1.00 0.00 C ATOM 1494 C ALA A 94 5.481 7.185 3.022 1.00 0.00 C ATOM 1495 O ALA A 94 4.822 6.387 2.356 1.00 0.00 O ATOM 1496 CB ALA A 94 6.459 9.469 2.689 1.00 0.00 C ATOM 0 H ALA A 94 5.897 8.244 0.431 1.00 0.00 H new ATOM 0 HA ALA A 94 7.545 7.623 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.428 9.617 3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.306 10.014 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.535 9.840 2.245 1.00 0.00 H new ATOM 1502 N PRO A 95 5.252 7.380 4.332 1.00 0.00 N ATOM 1503 CA PRO A 95 4.215 6.684 5.078 1.00 0.00 C ATOM 1504 C PRO A 95 2.952 7.523 5.240 1.00 0.00 C ATOM 1505 O PRO A 95 2.933 8.701 4.885 1.00 0.00 O ATOM 1506 CB PRO A 95 4.899 6.512 6.417 1.00 0.00 C ATOM 1507 CG PRO A 95 5.655 7.788 6.604 1.00 0.00 C ATOM 1508 CD PRO A 95 6.003 8.288 5.220 1.00 0.00 C ATOM 0 HA PRO A 95 3.877 5.766 4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.176 6.356 7.217 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.566 5.650 6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.053 8.521 7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.556 7.622 7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 95 5.703 9.326 5.080 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.076 8.238 5.032 1.00 0.00 H new ATOM 1516 N CYS A 96 1.905 6.918 5.791 1.00 0.00 N ATOM 1517 CA CYS A 96 0.645 7.621 6.007 1.00 0.00 C ATOM 1518 C CYS A 96 0.470 7.988 7.478 1.00 0.00 C ATOM 1519 O CYS A 96 1.233 7.543 8.334 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.532 6.764 5.535 1.00 0.00 C ATOM 1521 SG CYS A 96 -0.862 5.316 6.568 1.00 0.00 S ATOM 0 H CYS A 96 1.903 5.945 6.096 1.00 0.00 H new ATOM 0 HA CYS A 96 0.668 8.542 5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.428 7.384 5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.338 6.431 4.515 1.00 0.00 H new ATOM 0 HG CYS A 96 0.246 4.667 6.773 1.00 0.00 H new ATOM 1527 N ARG A 97 -0.541 8.800 7.767 1.00 0.00 N ATOM 1528 CA ARG A 97 -0.813 9.223 9.135 1.00 0.00 C ATOM 1529 C ARG A 97 -2.312 9.246 9.413 1.00 0.00 C ATOM 1530 O ARG A 97 -3.102 9.686 8.577 1.00 0.00 O ATOM 1531 CB ARG A 97 -0.212 10.606 9.394 1.00 0.00 C ATOM 1532 CG ARG A 97 1.197 10.768 8.848 1.00 0.00 C ATOM 1533 CD ARG A 97 2.063 11.613 9.770 1.00 0.00 C ATOM 1534 NE ARG A 97 1.672 13.023 9.753 1.00 0.00 N ATOM 1535 CZ ARG A 97 0.906 13.600 10.678 1.00 0.00 C ATOM 1536 NH1 ARG A 97 0.439 12.897 11.705 1.00 0.00 N ATOM 1537 NH2 ARG A 97 0.606 14.887 10.578 1.00 0.00 N ATOM 0 H ARG A 97 -1.185 9.178 7.072 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.350 8.502 9.808 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.856 11.363 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.200 10.793 10.468 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.653 9.786 8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.154 11.232 7.862 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.990 11.229 10.788 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.107 11.523 9.469 1.00 0.00 H new ATOM 0 HE ARG A 97 2.008 13.602 8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.666 11.906 11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.147 13.348 12.408 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.961 15.434 9.794 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.020 15.330 11.285 1.00 0.00 H new