USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 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 12 SER OG : rot 180:sc= 0.556 USER MOD Set 1.2: A 85 ASN : amide:sc= 0.603 K(o=1.2,f=0) USER MOD Set 2.1: A 9 HIS : no HD1:sc= 0.714 K(o=1.6,f=-8.3!) USER MOD Set 2.2: A 92 LYS NZ :NH3+ 160:sc= 0.932 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.513 (180deg=0.346) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0982 K(o=-0.098,f=-1.8!) USER MOD Single : A 6 HIS : no HD1:sc=-0.00627 X(o=-0.0063,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0.305 K(o=0.3,f=-1.9!) USER MOD Single : A 8 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.55) USER MOD Single : A 10 HIS : no HD1:sc= 0.517 K(o=0.52,f=-2.4!) USER MOD Single : A 64 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-0.66) USER MOD Single : A 75 THR OG1 : rot -170:sc= 0.4 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= 1.02 (180deg=0.917) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -165:sc= -0.0655 (180deg=-0.445) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.572 K(o=-0.57,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.866 44.403 -7.715 1.00 0.00 N ATOM 2 CA MET A 1 -6.984 45.600 -7.525 1.00 0.00 C ATOM 3 C MET A 1 -5.965 45.738 -8.672 1.00 0.00 C ATOM 4 O MET A 1 -6.167 46.575 -9.550 1.00 0.00 O ATOM 5 CB MET A 1 -6.304 45.671 -6.130 1.00 0.00 C ATOM 6 CG MET A 1 -7.248 46.053 -4.978 1.00 0.00 C ATOM 7 SD MET A 1 -8.462 44.798 -4.472 1.00 0.00 S ATOM 8 CE MET A 1 -9.251 45.676 -3.094 1.00 0.00 C ATOM 0 H1 MET A 1 -8.320 44.159 -6.812 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.597 44.619 -8.422 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.294 43.599 -8.043 1.00 0.00 H new ATOM 0 HA MET A 1 -7.649 46.463 -7.560 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.855 44.702 -5.909 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.492 46.396 -6.173 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.640 46.309 -4.110 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.789 46.954 -5.265 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.029 45.048 -2.660 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.504 45.906 -2.334 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.694 46.603 -3.459 1.00 0.00 H new ATOM 20 N ARG A 2 -4.889 44.926 -8.702 1.00 0.00 N ATOM 21 CA ARG A 2 -3.894 44.922 -9.803 1.00 0.00 C ATOM 22 C ARG A 2 -4.399 44.117 -11.012 1.00 0.00 C ATOM 23 O ARG A 2 -5.118 43.130 -10.849 1.00 0.00 O ATOM 24 CB ARG A 2 -2.527 44.387 -9.318 1.00 0.00 C ATOM 25 CG ARG A 2 -1.669 45.408 -8.546 1.00 0.00 C ATOM 26 CD ARG A 2 -2.172 45.729 -7.133 1.00 0.00 C ATOM 27 NE ARG A 2 -1.242 46.645 -6.441 1.00 0.00 N ATOM 28 CZ ARG A 2 -1.193 46.915 -5.145 1.00 0.00 C ATOM 29 NH1 ARG A 2 -2.000 46.360 -4.284 1.00 0.00 N ATOM 30 NH2 ARG A 2 -0.318 47.763 -4.684 1.00 0.00 N ATOM 0 H ARG A 2 -4.682 44.252 -7.965 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.757 45.955 -10.124 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.698 43.521 -8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.962 44.039 -10.183 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.650 45.027 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -1.625 46.333 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.162 46.182 -7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.275 44.807 -6.561 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.560 47.124 -7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.702 45.691 -4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.930 46.595 -3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.333 48.222 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.284 47.968 -3.685 1.00 0.00 H new ATOM 44 N GLY A 3 -3.995 44.522 -12.219 1.00 0.00 N ATOM 45 CA GLY A 3 -4.395 43.884 -13.486 1.00 0.00 C ATOM 46 C GLY A 3 -3.647 42.583 -13.820 1.00 0.00 C ATOM 47 O GLY A 3 -4.176 41.734 -14.540 1.00 0.00 O ATOM 0 H GLY A 3 -3.369 45.317 -12.351 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.464 43.672 -13.448 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.240 44.594 -14.298 1.00 0.00 H new ATOM 51 N SER A 4 -2.443 42.389 -13.268 1.00 0.00 N ATOM 52 CA SER A 4 -1.550 41.242 -13.535 1.00 0.00 C ATOM 53 C SER A 4 -1.893 39.998 -12.690 1.00 0.00 C ATOM 54 O SER A 4 -1.012 39.351 -12.115 1.00 0.00 O ATOM 55 CB SER A 4 -0.080 41.666 -13.367 1.00 0.00 C ATOM 56 OG SER A 4 0.216 42.797 -14.181 1.00 0.00 O ATOM 0 H SER A 4 -2.044 43.047 -12.598 1.00 0.00 H new ATOM 0 HA SER A 4 -1.709 40.939 -14.570 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.118 41.903 -12.322 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.575 40.837 -13.636 1.00 0.00 H new ATOM 0 HG SER A 4 1.154 43.052 -14.058 1.00 0.00 H new ATOM 62 N HIS A 5 -3.188 39.690 -12.566 1.00 0.00 N ATOM 63 CA HIS A 5 -3.746 38.625 -11.719 1.00 0.00 C ATOM 64 C HIS A 5 -5.017 38.002 -12.336 1.00 0.00 C ATOM 65 O HIS A 5 -5.623 38.576 -13.245 1.00 0.00 O ATOM 66 CB HIS A 5 -4.031 39.213 -10.324 1.00 0.00 C ATOM 67 CG HIS A 5 -4.497 38.204 -9.300 1.00 0.00 C ATOM 68 ND1 HIS A 5 -3.953 36.929 -9.109 1.00 0.00 N ATOM 69 CD2 HIS A 5 -5.550 38.368 -8.449 1.00 0.00 C ATOM 70 CE1 HIS A 5 -4.685 36.361 -8.134 1.00 0.00 C ATOM 71 NE2 HIS A 5 -5.652 37.200 -7.723 1.00 0.00 N ATOM 0 H HIS A 5 -3.911 40.198 -13.076 1.00 0.00 H new ATOM 0 HA HIS A 5 -3.021 37.815 -11.638 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -3.125 39.694 -9.955 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.789 39.991 -10.420 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.180 39.241 -8.361 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.519 35.370 -7.737 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -6.343 37.006 -6.998 1.00 0.00 H new ATOM 79 N HIS A 6 -5.435 36.837 -11.817 1.00 0.00 N ATOM 80 CA HIS A 6 -6.654 36.098 -12.205 1.00 0.00 C ATOM 81 C HIS A 6 -6.712 35.719 -13.704 1.00 0.00 C ATOM 82 O HIS A 6 -7.781 35.580 -14.302 1.00 0.00 O ATOM 83 CB HIS A 6 -7.893 36.843 -11.673 1.00 0.00 C ATOM 84 CG HIS A 6 -9.112 35.976 -11.456 1.00 0.00 C ATOM 85 ND1 HIS A 6 -10.361 36.144 -12.069 1.00 0.00 N ATOM 86 CD2 HIS A 6 -9.207 34.968 -10.539 1.00 0.00 C ATOM 87 CE1 HIS A 6 -11.173 35.229 -11.510 1.00 0.00 C ATOM 88 NE2 HIS A 6 -10.506 34.507 -10.591 1.00 0.00 N ATOM 0 H HIS A 6 -4.912 36.360 -11.083 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.632 35.119 -11.727 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.633 37.322 -10.729 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.150 37.637 -12.374 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.418 34.603 -9.898 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.214 35.093 -11.763 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.894 33.749 -10.029 1.00 0.00 H new ATOM 96 N HIS A 7 -5.536 35.551 -14.315 1.00 0.00 N ATOM 97 CA HIS A 7 -5.320 35.291 -15.747 1.00 0.00 C ATOM 98 C HIS A 7 -5.276 33.796 -16.126 1.00 0.00 C ATOM 99 O HIS A 7 -5.273 33.467 -17.314 1.00 0.00 O ATOM 100 CB HIS A 7 -4.025 36.010 -16.159 1.00 0.00 C ATOM 101 CG HIS A 7 -2.812 35.574 -15.367 1.00 0.00 C ATOM 102 ND1 HIS A 7 -2.514 35.970 -14.057 1.00 0.00 N ATOM 103 CD2 HIS A 7 -1.855 34.700 -15.793 1.00 0.00 C ATOM 104 CE1 HIS A 7 -1.377 35.335 -13.731 1.00 0.00 C ATOM 105 NE2 HIS A 7 -0.960 34.565 -14.753 1.00 0.00 N ATOM 0 H HIS A 7 -4.658 35.595 -13.798 1.00 0.00 H new ATOM 0 HA HIS A 7 -6.181 35.677 -16.293 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.841 35.830 -17.218 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.161 37.085 -16.037 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.808 34.211 -16.755 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -0.869 35.429 -12.783 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -0.124 33.981 -14.757 1.00 0.00 H new ATOM 113 N HIS A 8 -5.250 32.891 -15.139 1.00 0.00 N ATOM 114 CA HIS A 8 -5.203 31.430 -15.322 1.00 0.00 C ATOM 115 C HIS A 8 -6.502 30.753 -14.860 1.00 0.00 C ATOM 116 O HIS A 8 -6.997 31.038 -13.767 1.00 0.00 O ATOM 117 CB HIS A 8 -3.985 30.862 -14.577 1.00 0.00 C ATOM 118 CG HIS A 8 -3.871 29.359 -14.686 1.00 0.00 C ATOM 119 ND1 HIS A 8 -3.144 28.670 -15.660 1.00 0.00 N ATOM 120 CD2 HIS A 8 -4.501 28.453 -13.880 1.00 0.00 C ATOM 121 CE1 HIS A 8 -3.351 27.362 -15.416 1.00 0.00 C ATOM 122 NE2 HIS A 8 -4.159 27.205 -14.353 1.00 0.00 N ATOM 0 H HIS A 8 -5.261 33.163 -14.156 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.104 31.218 -16.387 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.078 31.319 -14.974 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.048 31.140 -13.525 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.141 28.672 -13.038 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.928 26.553 -15.993 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.466 26.314 -13.963 1.00 0.00 H new ATOM 130 N HIS A 9 -7.015 29.815 -15.667 1.00 0.00 N ATOM 131 CA HIS A 9 -8.244 29.048 -15.404 1.00 0.00 C ATOM 132 C HIS A 9 -8.099 27.578 -15.840 1.00 0.00 C ATOM 133 O HIS A 9 -7.479 27.288 -16.867 1.00 0.00 O ATOM 134 CB HIS A 9 -9.434 29.715 -16.122 1.00 0.00 C ATOM 135 CG HIS A 9 -9.662 31.148 -15.704 1.00 0.00 C ATOM 136 ND1 HIS A 9 -10.297 31.556 -14.525 1.00 0.00 N ATOM 137 CD2 HIS A 9 -9.197 32.251 -16.361 1.00 0.00 C ATOM 138 CE1 HIS A 9 -10.191 32.898 -14.501 1.00 0.00 C ATOM 139 NE2 HIS A 9 -9.537 33.339 -15.589 1.00 0.00 N ATOM 0 H HIS A 9 -6.573 29.559 -16.550 1.00 0.00 H new ATOM 0 HA HIS A 9 -8.426 29.049 -14.329 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.264 29.681 -17.198 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -10.338 29.139 -15.924 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.667 32.267 -17.302 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -10.578 33.532 -13.717 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.328 34.314 -15.806 1.00 0.00 H new ATOM 147 N HIS A 10 -8.671 26.650 -15.063 1.00 0.00 N ATOM 148 CA HIS A 10 -8.607 25.195 -15.294 1.00 0.00 C ATOM 149 C HIS A 10 -9.837 24.461 -14.711 1.00 0.00 C ATOM 150 O HIS A 10 -10.793 25.104 -14.267 1.00 0.00 O ATOM 151 CB HIS A 10 -7.284 24.666 -14.705 1.00 0.00 C ATOM 152 CG HIS A 10 -6.690 23.539 -15.512 1.00 0.00 C ATOM 153 ND1 HIS A 10 -7.005 22.185 -15.380 1.00 0.00 N ATOM 154 CD2 HIS A 10 -5.799 23.691 -16.533 1.00 0.00 C ATOM 155 CE1 HIS A 10 -6.290 21.550 -16.325 1.00 0.00 C ATOM 156 NE2 HIS A 10 -5.554 22.429 -17.029 1.00 0.00 N ATOM 0 H HIS A 10 -9.208 26.894 -14.231 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.630 24.997 -16.366 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.565 25.483 -14.648 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.458 24.323 -13.685 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.370 24.618 -16.884 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.304 20.484 -16.495 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.923 22.201 -17.797 1.00 0.00 H new ATOM 164 N GLY A 11 -9.841 23.123 -14.726 1.00 0.00 N ATOM 165 CA GLY A 11 -10.916 22.298 -14.152 1.00 0.00 C ATOM 166 C GLY A 11 -10.754 20.788 -14.391 1.00 0.00 C ATOM 167 O GLY A 11 -10.075 20.366 -15.329 1.00 0.00 O ATOM 0 H GLY A 11 -9.089 22.574 -15.142 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.964 22.481 -13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.869 22.620 -14.573 1.00 0.00 H new ATOM 171 N SER A 12 -11.389 19.972 -13.536 1.00 0.00 N ATOM 172 CA SER A 12 -11.287 18.496 -13.573 1.00 0.00 C ATOM 173 C SER A 12 -12.549 17.721 -13.155 1.00 0.00 C ATOM 174 O SER A 12 -12.787 16.625 -13.673 1.00 0.00 O ATOM 175 CB SER A 12 -10.110 18.058 -12.697 1.00 0.00 C ATOM 176 OG SER A 12 -10.272 18.465 -11.342 1.00 0.00 O ATOM 0 H SER A 12 -11.994 20.316 -12.791 1.00 0.00 H new ATOM 0 HA SER A 12 -11.141 18.245 -14.624 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.010 16.973 -12.740 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.186 18.479 -13.094 1.00 0.00 H new ATOM 0 HG SER A 12 -9.501 18.165 -10.816 1.00 0.00 H new ATOM 182 N GLY A 58 -13.384 18.279 -12.266 1.00 0.00 N ATOM 183 CA GLY A 58 -14.614 17.646 -11.761 1.00 0.00 C ATOM 184 C GLY A 58 -14.391 16.606 -10.650 1.00 0.00 C ATOM 185 O GLY A 58 -13.316 16.019 -10.509 1.00 0.00 O ATOM 0 H GLY A 58 -13.220 19.204 -11.868 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.278 18.424 -11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.127 17.164 -12.593 1.00 0.00 H new ATOM 189 N ALA A 59 -15.430 16.363 -9.847 1.00 0.00 N ATOM 190 CA ALA A 59 -15.395 15.543 -8.629 1.00 0.00 C ATOM 191 C ALA A 59 -15.605 14.028 -8.890 1.00 0.00 C ATOM 192 O ALA A 59 -16.370 13.361 -8.190 1.00 0.00 O ATOM 193 CB ALA A 59 -16.386 16.150 -7.623 1.00 0.00 C ATOM 0 H ALA A 59 -16.357 16.747 -10.033 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.393 15.572 -8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.381 15.560 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.092 17.175 -7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -17.388 16.146 -8.052 1.00 0.00 H new ATOM 199 N LEU A 60 -14.939 13.479 -9.916 1.00 0.00 N ATOM 200 CA LEU A 60 -15.128 12.088 -10.371 1.00 0.00 C ATOM 201 C LEU A 60 -14.424 11.014 -9.512 1.00 0.00 C ATOM 202 O LEU A 60 -14.724 9.827 -9.639 1.00 0.00 O ATOM 203 CB LEU A 60 -14.811 11.990 -11.871 1.00 0.00 C ATOM 204 CG LEU A 60 -13.354 12.232 -12.314 1.00 0.00 C ATOM 205 CD1 LEU A 60 -12.444 11.013 -12.124 1.00 0.00 C ATOM 206 CD2 LEU A 60 -13.370 12.559 -13.805 1.00 0.00 C ATOM 0 H LEU A 60 -14.246 13.991 -10.461 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.180 11.844 -10.222 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.104 10.997 -12.211 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.444 12.706 -12.395 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.959 13.038 -11.696 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.435 11.257 -12.457 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.422 10.736 -11.070 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.827 10.178 -12.710 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.351 12.736 -14.150 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.799 11.723 -14.356 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.971 13.452 -13.975 1.00 0.00 H new ATOM 218 N ALA A 61 -13.498 11.423 -8.640 1.00 0.00 N ATOM 219 CA ALA A 61 -12.763 10.525 -7.741 1.00 0.00 C ATOM 220 C ALA A 61 -13.647 9.940 -6.623 1.00 0.00 C ATOM 221 O ALA A 61 -14.509 10.634 -6.076 1.00 0.00 O ATOM 222 CB ALA A 61 -11.585 11.289 -7.137 1.00 0.00 C ATOM 0 H ALA A 61 -13.233 12.402 -8.536 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.411 9.678 -8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.031 10.632 -6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.927 11.633 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.957 12.148 -6.578 1.00 0.00 H new ATOM 228 N ALA A 62 -13.391 8.684 -6.248 1.00 0.00 N ATOM 229 CA ALA A 62 -14.131 7.953 -5.219 1.00 0.00 C ATOM 230 C ALA A 62 -13.385 7.780 -3.885 1.00 0.00 C ATOM 231 O ALA A 62 -12.154 7.745 -3.830 1.00 0.00 O ATOM 232 CB ALA A 62 -14.611 6.614 -5.796 1.00 0.00 C ATOM 0 H ALA A 62 -12.641 8.133 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.990 8.568 -4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.163 6.066 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.261 6.798 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.750 6.026 -6.114 1.00 0.00 H new ATOM 238 N LEU A 63 -14.157 7.648 -2.798 1.00 0.00 N ATOM 239 CA LEU A 63 -13.677 7.521 -1.419 1.00 0.00 C ATOM 240 C LEU A 63 -14.285 6.300 -0.708 1.00 0.00 C ATOM 241 O LEU A 63 -15.437 5.934 -0.951 1.00 0.00 O ATOM 242 CB LEU A 63 -14.025 8.794 -0.620 1.00 0.00 C ATOM 243 CG LEU A 63 -13.390 10.105 -1.119 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.905 11.275 -0.283 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.869 10.077 -0.997 1.00 0.00 C ATOM 0 H LEU A 63 -15.175 7.626 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.596 7.387 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.108 8.915 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.725 8.641 0.417 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.662 10.219 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.454 12.202 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.989 11.340 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.640 11.120 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.458 11.019 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.590 9.937 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.471 9.255 -1.592 1.00 0.00 H new ATOM 257 N HIS A 64 -13.534 5.725 0.233 1.00 0.00 N ATOM 258 CA HIS A 64 -14.067 4.814 1.254 1.00 0.00 C ATOM 259 C HIS A 64 -14.931 5.599 2.254 1.00 0.00 C ATOM 260 O HIS A 64 -14.493 6.627 2.772 1.00 0.00 O ATOM 261 CB HIS A 64 -12.904 4.132 1.985 1.00 0.00 C ATOM 262 CG HIS A 64 -12.124 3.144 1.155 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.565 1.868 0.793 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.848 3.321 0.702 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.538 1.304 0.133 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.495 2.150 0.068 1.00 0.00 N ATOM 0 H HIS A 64 -12.529 5.879 0.311 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.686 4.055 0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.220 4.900 2.346 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.297 3.617 2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.237 4.204 0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.549 0.309 -0.287 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.596 1.958 -0.375 1.00 0.00 H new ATOM 274 N ALA A 65 -16.143 5.120 2.548 1.00 0.00 N ATOM 275 CA ALA A 65 -17.101 5.832 3.405 1.00 0.00 C ATOM 276 C ALA A 65 -17.042 5.429 4.894 1.00 0.00 C ATOM 277 O ALA A 65 -17.422 6.219 5.761 1.00 0.00 O ATOM 278 CB ALA A 65 -18.501 5.612 2.821 1.00 0.00 C ATOM 0 H ALA A 65 -16.490 4.227 2.199 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.836 6.889 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.237 6.129 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.537 6.004 1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.726 4.545 2.806 1.00 0.00 H new ATOM 284 N GLU A 66 -16.577 4.212 5.201 1.00 0.00 N ATOM 285 CA GLU A 66 -16.613 3.599 6.542 1.00 0.00 C ATOM 286 C GLU A 66 -15.336 2.792 6.855 1.00 0.00 C ATOM 287 O GLU A 66 -14.558 2.448 5.958 1.00 0.00 O ATOM 288 CB GLU A 66 -17.850 2.683 6.666 1.00 0.00 C ATOM 289 CG GLU A 66 -19.186 3.435 6.585 1.00 0.00 C ATOM 290 CD GLU A 66 -20.366 2.485 6.861 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.896 1.866 5.904 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.784 2.352 8.039 1.00 0.00 O ATOM 0 H GLU A 66 -16.150 3.604 4.502 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.672 4.411 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.817 1.933 5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.801 2.148 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.194 4.251 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.297 3.883 5.597 1.00 0.00 H new ATOM 299 N GLY A 67 -15.126 2.468 8.139 1.00 0.00 N ATOM 300 CA GLY A 67 -13.996 1.653 8.611 1.00 0.00 C ATOM 301 C GLY A 67 -12.643 2.392 8.644 1.00 0.00 C ATOM 302 O GLY A 67 -12.609 3.622 8.541 1.00 0.00 O ATOM 0 H GLY A 67 -15.746 2.769 8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.221 1.289 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.902 0.778 7.968 1.00 0.00 H new ATOM 306 N PRO A 68 -11.511 1.667 8.772 1.00 0.00 N ATOM 307 CA PRO A 68 -10.171 2.253 8.940 1.00 0.00 C ATOM 308 C PRO A 68 -9.756 3.231 7.831 1.00 0.00 C ATOM 309 O PRO A 68 -8.965 4.148 8.071 1.00 0.00 O ATOM 310 CB PRO A 68 -9.199 1.064 8.970 1.00 0.00 C ATOM 311 CG PRO A 68 -9.991 -0.117 8.416 1.00 0.00 C ATOM 312 CD PRO A 68 -11.425 0.210 8.812 1.00 0.00 C ATOM 0 HA PRO A 68 -10.163 2.851 9.852 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.315 1.263 8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.853 0.864 9.984 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.881 -0.204 7.335 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.660 -1.062 8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.137 -0.245 8.124 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.655 -0.171 9.807 1.00 0.00 H new ATOM 320 N LEU A 69 -10.285 3.034 6.621 1.00 0.00 N ATOM 321 CA LEU A 69 -9.966 3.820 5.426 1.00 0.00 C ATOM 322 C LEU A 69 -10.966 4.963 5.156 1.00 0.00 C ATOM 323 O LEU A 69 -10.838 5.653 4.145 1.00 0.00 O ATOM 324 CB LEU A 69 -9.838 2.848 4.239 1.00 0.00 C ATOM 325 CG LEU A 69 -8.754 1.756 4.374 1.00 0.00 C ATOM 326 CD1 LEU A 69 -8.748 0.891 3.117 1.00 0.00 C ATOM 327 CD2 LEU A 69 -7.360 2.338 4.597 1.00 0.00 C ATOM 0 H LEU A 69 -10.969 2.299 6.440 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.019 4.336 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.801 2.360 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.631 3.429 3.340 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.001 1.158 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.984 0.119 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.724 0.422 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.532 1.513 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.637 1.527 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.092 2.973 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.355 2.930 5.512 1.00 0.00 H new ATOM 339 N ALA A 70 -11.955 5.183 6.031 1.00 0.00 N ATOM 340 CA ALA A 70 -12.960 6.237 5.864 1.00 0.00 C ATOM 341 C ALA A 70 -12.327 7.611 5.542 1.00 0.00 C ATOM 342 O ALA A 70 -11.455 8.097 6.269 1.00 0.00 O ATOM 343 CB ALA A 70 -13.829 6.318 7.125 1.00 0.00 C ATOM 0 H ALA A 70 -12.080 4.631 6.879 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.581 5.976 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.577 7.102 7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.328 5.362 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.201 6.548 7.986 1.00 0.00 H new ATOM 349 N GLY A 71 -12.774 8.233 4.446 1.00 0.00 N ATOM 350 CA GLY A 71 -12.261 9.512 3.941 1.00 0.00 C ATOM 351 C GLY A 71 -11.130 9.423 2.914 1.00 0.00 C ATOM 352 O GLY A 71 -10.695 10.464 2.421 1.00 0.00 O ATOM 0 H GLY A 71 -13.523 7.850 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.089 10.062 3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.910 10.100 4.789 1.00 0.00 H new ATOM 356 N LEU A 72 -10.643 8.220 2.588 1.00 0.00 N ATOM 357 CA LEU A 72 -9.464 8.013 1.735 1.00 0.00 C ATOM 358 C LEU A 72 -9.832 7.477 0.327 1.00 0.00 C ATOM 359 O LEU A 72 -10.872 6.830 0.189 1.00 0.00 O ATOM 360 CB LEU A 72 -8.500 7.079 2.489 1.00 0.00 C ATOM 361 CG LEU A 72 -8.104 7.486 3.925 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.038 6.515 4.435 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.552 8.910 4.021 1.00 0.00 C ATOM 0 H LEU A 72 -11.062 7.349 2.914 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.977 8.969 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.953 6.088 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.588 6.988 1.900 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.011 7.450 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.749 6.791 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.439 5.502 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.165 6.559 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.294 9.131 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.662 8.998 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.307 9.617 3.677 1.00 0.00 H new ATOM 375 N PRO A 73 -9.005 7.706 -0.720 1.00 0.00 N ATOM 376 CA PRO A 73 -9.219 7.188 -2.085 1.00 0.00 C ATOM 377 C PRO A 73 -9.386 5.671 -2.126 1.00 0.00 C ATOM 378 O PRO A 73 -8.697 4.944 -1.409 1.00 0.00 O ATOM 379 CB PRO A 73 -7.981 7.613 -2.890 1.00 0.00 C ATOM 380 CG PRO A 73 -6.908 7.788 -1.819 1.00 0.00 C ATOM 381 CD PRO A 73 -7.710 8.375 -0.666 1.00 0.00 C ATOM 0 HA PRO A 73 -10.144 7.591 -2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.699 6.857 -3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.156 8.538 -3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.440 6.841 -1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.111 8.456 -2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.215 8.197 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.820 9.454 -0.772 1.00 0.00 H new ATOM 389 N VAL A 74 -10.252 5.177 -3.011 1.00 0.00 N ATOM 390 CA VAL A 74 -10.382 3.731 -3.257 1.00 0.00 C ATOM 391 C VAL A 74 -9.255 3.224 -4.171 1.00 0.00 C ATOM 392 O VAL A 74 -8.778 2.104 -3.990 1.00 0.00 O ATOM 393 CB VAL A 74 -11.785 3.364 -3.783 1.00 0.00 C ATOM 394 CG1 VAL A 74 -11.972 1.848 -3.907 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.881 3.866 -2.833 1.00 0.00 C ATOM 0 H VAL A 74 -10.878 5.754 -3.573 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.273 3.216 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.867 3.836 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.973 1.634 -4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.233 1.446 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.843 1.384 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.859 3.593 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.748 3.412 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.816 4.950 -2.743 1.00 0.00 H new ATOM 405 N THR A 75 -8.778 4.059 -5.107 1.00 0.00 N ATOM 406 CA THR A 75 -7.748 3.707 -6.108 1.00 0.00 C ATOM 407 C THR A 75 -6.659 4.778 -6.230 1.00 0.00 C ATOM 408 O THR A 75 -6.850 5.926 -5.824 1.00 0.00 O ATOM 409 CB THR A 75 -8.380 3.440 -7.491 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.565 4.656 -8.189 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.734 2.730 -7.421 1.00 0.00 C ATOM 0 H THR A 75 -9.103 5.022 -5.194 1.00 0.00 H new ATOM 0 HA THR A 75 -7.275 2.792 -5.751 1.00 0.00 H new ATOM 0 HB THR A 75 -7.680 2.783 -8.008 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.106 4.494 -8.990 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.117 2.576 -8.430 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.614 1.766 -6.927 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.437 3.342 -6.856 1.00 0.00 H new ATOM 419 N ARG A 76 -5.514 4.447 -6.853 1.00 0.00 N ATOM 420 CA ARG A 76 -4.473 5.456 -7.156 1.00 0.00 C ATOM 421 C ARG A 76 -4.948 6.519 -8.155 1.00 0.00 C ATOM 422 O ARG A 76 -4.506 7.659 -8.071 1.00 0.00 O ATOM 423 CB ARG A 76 -3.139 4.794 -7.568 1.00 0.00 C ATOM 424 CG ARG A 76 -3.174 4.006 -8.889 1.00 0.00 C ATOM 425 CD ARG A 76 -1.754 3.604 -9.309 1.00 0.00 C ATOM 426 NE ARG A 76 -1.767 2.814 -10.556 1.00 0.00 N ATOM 427 CZ ARG A 76 -0.781 2.699 -11.432 1.00 0.00 C ATOM 428 NH1 ARG A 76 0.364 3.301 -11.286 1.00 0.00 N ATOM 429 NH2 ARG A 76 -0.933 1.960 -12.495 1.00 0.00 N ATOM 0 H ARG A 76 -5.284 3.500 -7.155 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.279 5.997 -6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.377 5.570 -7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.826 4.120 -6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.792 3.115 -8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.633 4.612 -9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.147 4.498 -9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.288 3.023 -8.513 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.625 2.304 -10.764 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.530 3.891 -10.470 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.095 3.183 -11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.813 1.469 -12.653 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.172 1.873 -13.169 1.00 0.00 H new ATOM 443 N SER A 77 -5.911 6.186 -9.019 1.00 0.00 N ATOM 444 CA SER A 77 -6.577 7.159 -9.901 1.00 0.00 C ATOM 445 C SER A 77 -7.443 8.135 -9.095 1.00 0.00 C ATOM 446 O SER A 77 -7.340 9.347 -9.295 1.00 0.00 O ATOM 447 CB SER A 77 -7.405 6.431 -10.968 1.00 0.00 C ATOM 448 OG SER A 77 -7.863 7.353 -11.946 1.00 0.00 O ATOM 0 H SER A 77 -6.254 5.232 -9.130 1.00 0.00 H new ATOM 0 HA SER A 77 -5.810 7.746 -10.406 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.801 5.657 -11.442 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.255 5.932 -10.502 1.00 0.00 H new ATOM 0 HG SER A 77 -8.389 6.878 -12.623 1.00 0.00 H new ATOM 454 N ASP A 78 -8.195 7.655 -8.092 1.00 0.00 N ATOM 455 CA ASP A 78 -8.917 8.547 -7.176 1.00 0.00 C ATOM 456 C ASP A 78 -7.943 9.450 -6.416 1.00 0.00 C ATOM 457 O ASP A 78 -8.164 10.652 -6.345 1.00 0.00 O ATOM 458 CB ASP A 78 -9.782 7.790 -6.158 1.00 0.00 C ATOM 459 CG ASP A 78 -10.806 6.841 -6.780 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.469 7.228 -7.775 1.00 0.00 O ATOM 461 OD2 ASP A 78 -10.999 5.753 -6.197 1.00 0.00 O ATOM 0 H ASP A 78 -8.317 6.661 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.578 9.145 -7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.129 7.218 -5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.307 8.515 -5.536 1.00 0.00 H new ATOM 466 N ALA A 79 -6.831 8.908 -5.905 1.00 0.00 N ATOM 467 CA ALA A 79 -5.813 9.681 -5.191 1.00 0.00 C ATOM 468 C ALA A 79 -5.187 10.784 -6.070 1.00 0.00 C ATOM 469 O ALA A 79 -5.124 11.946 -5.665 1.00 0.00 O ATOM 470 CB ALA A 79 -4.757 8.699 -4.666 1.00 0.00 C ATOM 0 H ALA A 79 -6.613 7.914 -5.977 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.277 10.209 -4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.984 9.249 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.229 7.984 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.307 8.166 -5.504 1.00 0.00 H new ATOM 476 N ARG A 80 -4.797 10.443 -7.304 1.00 0.00 N ATOM 477 CA ARG A 80 -4.274 11.375 -8.321 1.00 0.00 C ATOM 478 C ARG A 80 -5.272 12.491 -8.637 1.00 0.00 C ATOM 479 O ARG A 80 -4.895 13.661 -8.639 1.00 0.00 O ATOM 480 CB ARG A 80 -3.894 10.544 -9.565 1.00 0.00 C ATOM 481 CG ARG A 80 -3.212 11.371 -10.660 1.00 0.00 C ATOM 482 CD ARG A 80 -2.758 10.483 -11.823 1.00 0.00 C ATOM 483 NE ARG A 80 -2.076 11.281 -12.864 1.00 0.00 N ATOM 484 CZ ARG A 80 -2.590 11.782 -13.976 1.00 0.00 C ATOM 485 NH1 ARG A 80 -3.847 11.647 -14.289 1.00 0.00 N ATOM 486 NH2 ARG A 80 -1.835 12.447 -14.802 1.00 0.00 N ATOM 0 H ARG A 80 -4.836 9.480 -7.637 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.389 11.888 -7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.229 9.734 -9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.793 10.083 -9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.901 12.132 -11.027 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.352 11.895 -10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.085 9.710 -11.453 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.620 9.975 -12.256 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.086 11.469 -12.706 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.476 11.139 -13.667 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.203 12.049 -15.156 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.846 12.582 -14.593 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.232 12.833 -15.659 1.00 0.00 H new ATOM 500 N VAL A 81 -6.547 12.153 -8.837 1.00 0.00 N ATOM 501 CA VAL A 81 -7.605 13.131 -9.149 1.00 0.00 C ATOM 502 C VAL A 81 -8.014 13.959 -7.921 1.00 0.00 C ATOM 503 O VAL A 81 -8.265 15.150 -8.074 1.00 0.00 O ATOM 504 CB VAL A 81 -8.804 12.444 -9.835 1.00 0.00 C ATOM 505 CG1 VAL A 81 -9.989 13.394 -10.056 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.394 11.916 -11.218 1.00 0.00 C ATOM 0 H VAL A 81 -6.882 11.191 -8.788 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.195 13.848 -9.861 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.108 11.639 -9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.802 12.855 -10.542 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.332 13.778 -9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.676 14.225 -10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.249 11.433 -11.691 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.056 12.746 -11.839 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.586 11.193 -11.107 1.00 0.00 H new ATOM 516 N LEU A 82 -7.999 13.408 -6.701 1.00 0.00 N ATOM 517 CA LEU A 82 -8.201 14.188 -5.471 1.00 0.00 C ATOM 518 C LEU A 82 -7.093 15.239 -5.291 1.00 0.00 C ATOM 519 O LEU A 82 -7.404 16.409 -5.069 1.00 0.00 O ATOM 520 CB LEU A 82 -8.272 13.242 -4.257 1.00 0.00 C ATOM 521 CG LEU A 82 -9.586 12.443 -4.164 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.396 11.253 -3.234 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.754 13.283 -3.647 1.00 0.00 C ATOM 0 H LEU A 82 -7.847 12.413 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.146 14.725 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.436 12.544 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.149 13.827 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.829 12.117 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.327 10.689 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.608 10.609 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.117 11.608 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.653 12.668 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.520 13.657 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.923 14.124 -4.319 1.00 0.00 H new ATOM 535 N ILE A 83 -5.818 14.862 -5.474 1.00 0.00 N ATOM 536 CA ILE A 83 -4.690 15.814 -5.440 1.00 0.00 C ATOM 537 C ILE A 83 -4.832 16.868 -6.549 1.00 0.00 C ATOM 538 O ILE A 83 -4.644 18.057 -6.292 1.00 0.00 O ATOM 539 CB ILE A 83 -3.333 15.073 -5.529 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.097 14.214 -4.264 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.180 16.087 -5.700 1.00 0.00 C ATOM 542 CD1 ILE A 83 -1.987 13.166 -4.420 1.00 0.00 C ATOM 0 H ILE A 83 -5.538 13.897 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.714 16.336 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.359 14.415 -6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.847 14.872 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.026 13.708 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.232 15.553 -5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.333 16.661 -6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.161 16.764 -4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.883 12.605 -3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.243 12.483 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.046 13.665 -4.650 1.00 0.00 H new ATOM 554 N PHE A 84 -5.203 16.459 -7.766 1.00 0.00 N ATOM 555 CA PHE A 84 -5.422 17.368 -8.895 1.00 0.00 C ATOM 556 C PHE A 84 -6.538 18.390 -8.613 1.00 0.00 C ATOM 557 O PHE A 84 -6.318 19.591 -8.748 1.00 0.00 O ATOM 558 CB PHE A 84 -5.722 16.524 -10.145 1.00 0.00 C ATOM 559 CG PHE A 84 -6.004 17.252 -11.451 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.621 18.592 -11.658 1.00 0.00 C ATOM 561 CD2 PHE A 84 -6.661 16.557 -12.484 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.909 19.235 -12.870 1.00 0.00 C ATOM 563 CE2 PHE A 84 -6.937 17.196 -13.706 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.570 18.540 -13.895 1.00 0.00 C ATOM 0 H PHE A 84 -5.361 15.478 -7.997 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.521 17.959 -9.059 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.874 15.860 -10.310 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.582 15.893 -9.923 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.102 19.128 -10.877 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.955 15.528 -12.337 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.622 20.266 -13.015 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.431 16.654 -14.499 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.796 19.037 -14.827 1.00 0.00 H new ATOM 574 N ASN A 85 -7.724 17.949 -8.187 1.00 0.00 N ATOM 575 CA ASN A 85 -8.851 18.852 -7.936 1.00 0.00 C ATOM 576 C ASN A 85 -8.611 19.758 -6.706 1.00 0.00 C ATOM 577 O ASN A 85 -8.987 20.933 -6.721 1.00 0.00 O ATOM 578 CB ASN A 85 -10.125 18.004 -7.805 1.00 0.00 C ATOM 579 CG ASN A 85 -11.372 18.871 -7.791 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.941 19.169 -6.748 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.829 19.314 -8.942 1.00 0.00 N ATOM 0 H ASN A 85 -7.930 16.966 -8.008 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.963 19.540 -8.774 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.180 17.298 -8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.079 17.416 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.659 19.907 -8.967 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.354 19.065 -9.809 1.00 0.00 H new ATOM 588 N GLU A 86 -7.923 19.245 -5.675 1.00 0.00 N ATOM 589 CA GLU A 86 -7.468 20.043 -4.532 1.00 0.00 C ATOM 590 C GLU A 86 -6.471 21.127 -4.967 1.00 0.00 C ATOM 591 O GLU A 86 -6.697 22.301 -4.674 1.00 0.00 O ATOM 592 CB GLU A 86 -6.870 19.130 -3.450 1.00 0.00 C ATOM 593 CG GLU A 86 -6.454 19.910 -2.199 1.00 0.00 C ATOM 594 CD GLU A 86 -5.959 18.949 -1.103 1.00 0.00 C ATOM 595 OE1 GLU A 86 -4.755 18.594 -1.098 1.00 0.00 O ATOM 596 OE2 GLU A 86 -6.769 18.548 -0.230 1.00 0.00 O ATOM 0 H GLU A 86 -7.667 18.260 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.331 20.556 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.600 18.369 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.003 18.608 -3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.666 20.620 -2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.299 20.490 -1.828 1.00 0.00 H new ATOM 603 N TRP A 87 -5.417 20.778 -5.723 1.00 0.00 N ATOM 604 CA TRP A 87 -4.543 21.761 -6.355 1.00 0.00 C ATOM 605 C TRP A 87 -5.341 22.791 -7.161 1.00 0.00 C ATOM 606 O TRP A 87 -5.064 23.976 -7.033 1.00 0.00 O ATOM 607 CB TRP A 87 -3.523 21.073 -7.269 1.00 0.00 C ATOM 608 CG TRP A 87 -2.801 22.028 -8.172 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.729 22.766 -7.822 1.00 0.00 C ATOM 610 CD2 TRP A 87 -3.160 22.462 -9.526 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.379 23.607 -8.861 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.230 23.464 -9.933 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.190 22.136 -10.438 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.307 24.102 -11.179 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.290 22.784 -11.684 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.351 23.763 -12.057 1.00 0.00 C ATOM 0 H TRP A 87 -5.154 19.810 -5.908 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.016 22.283 -5.556 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.795 20.542 -6.656 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -4.034 20.325 -7.876 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.220 22.709 -6.871 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.590 24.252 -8.837 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.912 21.377 -10.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.574 24.844 -11.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -5.094 22.528 -12.358 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.432 24.253 -13.016 1.00 0.00 H new ATOM 627 N GLU A 88 -6.330 22.378 -7.953 1.00 0.00 N ATOM 628 CA GLU A 88 -7.084 23.296 -8.811 1.00 0.00 C ATOM 629 C GLU A 88 -7.855 24.340 -7.984 1.00 0.00 C ATOM 630 O GLU A 88 -7.731 25.536 -8.249 1.00 0.00 O ATOM 631 CB GLU A 88 -7.991 22.491 -9.756 1.00 0.00 C ATOM 632 CG GLU A 88 -8.312 23.231 -11.059 1.00 0.00 C ATOM 633 CD GLU A 88 -9.290 24.411 -10.884 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.398 24.208 -10.324 1.00 0.00 O ATOM 635 OE2 GLU A 88 -8.979 25.531 -11.356 1.00 0.00 O ATOM 0 H GLU A 88 -6.631 21.406 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.387 23.866 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.508 21.543 -9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.922 22.254 -9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.383 23.603 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.736 22.524 -11.772 1.00 0.00 H new ATOM 642 N GLU A 89 -8.561 23.926 -6.923 1.00 0.00 N ATOM 643 CA GLU A 89 -9.240 24.841 -5.989 1.00 0.00 C ATOM 644 C GLU A 89 -8.257 25.797 -5.281 1.00 0.00 C ATOM 645 O GLU A 89 -8.461 27.020 -5.265 1.00 0.00 O ATOM 646 CB GLU A 89 -10.047 23.993 -4.991 1.00 0.00 C ATOM 647 CG GLU A 89 -10.860 24.805 -3.969 1.00 0.00 C ATOM 648 CD GLU A 89 -10.033 25.332 -2.775 1.00 0.00 C ATOM 649 OE1 GLU A 89 -9.200 24.588 -2.209 1.00 0.00 O ATOM 650 OE2 GLU A 89 -10.227 26.496 -2.349 1.00 0.00 O ATOM 0 H GLU A 89 -8.679 22.941 -6.685 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.914 25.491 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.728 23.350 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.361 23.339 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.321 25.651 -4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.670 24.182 -3.589 1.00 0.00 H new ATOM 657 N ARG A 90 -7.154 25.263 -4.741 1.00 0.00 N ATOM 658 CA ARG A 90 -6.118 26.070 -4.083 1.00 0.00 C ATOM 659 C ARG A 90 -5.507 27.073 -5.048 1.00 0.00 C ATOM 660 O ARG A 90 -5.484 28.256 -4.744 1.00 0.00 O ATOM 661 CB ARG A 90 -5.009 25.170 -3.541 1.00 0.00 C ATOM 662 CG ARG A 90 -5.418 24.205 -2.428 1.00 0.00 C ATOM 663 CD ARG A 90 -5.606 24.858 -1.052 1.00 0.00 C ATOM 664 NE ARG A 90 -6.899 25.563 -0.968 1.00 0.00 N ATOM 665 CZ ARG A 90 -7.233 26.578 -0.200 1.00 0.00 C ATOM 666 NH1 ARG A 90 -6.422 27.089 0.685 1.00 0.00 N ATOM 667 NH2 ARG A 90 -8.415 27.100 -0.323 1.00 0.00 N ATOM 0 H ARG A 90 -6.955 24.263 -4.748 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.594 26.609 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.602 24.589 -4.368 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.203 25.803 -3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.349 23.716 -2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.661 23.425 -2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.553 24.096 -0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.793 25.560 -0.866 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.632 25.218 -1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.486 26.701 0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.724 27.876 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.070 26.723 -1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.689 27.887 0.265 1.00 0.00 H new ATOM 681 N LYS A 91 -5.065 26.614 -6.217 1.00 0.00 N ATOM 682 CA LYS A 91 -4.454 27.438 -7.282 1.00 0.00 C ATOM 683 C LYS A 91 -5.417 28.501 -7.845 1.00 0.00 C ATOM 684 O LYS A 91 -4.965 29.602 -8.155 1.00 0.00 O ATOM 685 CB LYS A 91 -3.813 26.524 -8.348 1.00 0.00 C ATOM 686 CG LYS A 91 -2.707 27.185 -9.193 1.00 0.00 C ATOM 687 CD LYS A 91 -3.183 27.755 -10.542 1.00 0.00 C ATOM 688 CE LYS A 91 -2.007 28.022 -11.505 1.00 0.00 C ATOM 689 NZ LYS A 91 -1.198 29.224 -11.140 1.00 0.00 N ATOM 0 H LYS A 91 -5.120 25.627 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.649 28.032 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.395 25.649 -7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.596 26.167 -9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.257 27.990 -8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.924 26.451 -9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.879 27.056 -11.005 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.729 28.683 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.356 27.148 -11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.397 28.149 -12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.310 29.223 -11.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.737 30.085 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.982 29.202 -10.123 1.00 0.00 H new ATOM 703 N LYS A 92 -6.736 28.247 -7.891 1.00 0.00 N ATOM 704 CA LYS A 92 -7.775 29.269 -8.114 1.00 0.00 C ATOM 705 C LYS A 92 -7.778 30.350 -7.017 1.00 0.00 C ATOM 706 O LYS A 92 -7.836 31.539 -7.335 1.00 0.00 O ATOM 707 CB LYS A 92 -9.146 28.565 -8.178 1.00 0.00 C ATOM 708 CG LYS A 92 -10.275 29.405 -8.785 1.00 0.00 C ATOM 709 CD LYS A 92 -10.180 29.441 -10.316 1.00 0.00 C ATOM 710 CE LYS A 92 -11.454 30.094 -10.876 1.00 0.00 C ATOM 711 NZ LYS A 92 -11.551 29.982 -12.359 1.00 0.00 N ATOM 0 H LYS A 92 -7.118 27.309 -7.772 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.563 29.780 -9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.041 27.649 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.434 28.270 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.239 28.992 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.228 30.420 -8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.300 30.004 -10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.068 28.431 -10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.327 29.626 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.473 31.146 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -12.539 30.118 -12.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.955 30.710 -12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.227 29.040 -12.658 1.00 0.00 H new ATOM 725 N SER A 93 -7.699 29.948 -5.743 1.00 0.00 N ATOM 726 CA SER A 93 -7.738 30.874 -4.592 1.00 0.00 C ATOM 727 C SER A 93 -6.414 31.628 -4.324 1.00 0.00 C ATOM 728 O SER A 93 -6.424 32.803 -3.947 1.00 0.00 O ATOM 729 CB SER A 93 -8.162 30.089 -3.344 1.00 0.00 C ATOM 730 OG SER A 93 -8.583 30.980 -2.321 1.00 0.00 O ATOM 0 H SER A 93 -7.606 28.968 -5.474 1.00 0.00 H new ATOM 0 HA SER A 93 -8.461 31.651 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.972 29.404 -3.595 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.330 29.482 -2.987 1.00 0.00 H new ATOM 0 HG SER A 93 -8.852 30.467 -1.531 1.00 0.00 H new ATOM 736 N ASP A 94 -5.270 30.978 -4.551 1.00 0.00 N ATOM 737 CA ASP A 94 -3.900 31.399 -4.241 1.00 0.00 C ATOM 738 C ASP A 94 -2.941 30.825 -5.317 1.00 0.00 C ATOM 739 O ASP A 94 -2.659 29.623 -5.321 1.00 0.00 O ATOM 740 CB ASP A 94 -3.492 30.896 -2.845 1.00 0.00 C ATOM 741 CG ASP A 94 -4.125 31.719 -1.712 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.751 32.907 -1.550 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.948 31.170 -0.938 1.00 0.00 O ATOM 0 H ASP A 94 -5.279 30.061 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.844 32.488 -4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.786 29.852 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.407 30.932 -2.753 1.00 0.00 H new ATOM 748 N PRO A 95 -2.429 31.648 -6.253 1.00 0.00 N ATOM 749 CA PRO A 95 -1.923 31.193 -7.558 1.00 0.00 C ATOM 750 C PRO A 95 -0.575 30.449 -7.557 1.00 0.00 C ATOM 751 O PRO A 95 -0.234 29.828 -8.564 1.00 0.00 O ATOM 752 CB PRO A 95 -1.858 32.466 -8.416 1.00 0.00 C ATOM 753 CG PRO A 95 -1.673 33.571 -7.382 1.00 0.00 C ATOM 754 CD PRO A 95 -2.572 33.090 -6.251 1.00 0.00 C ATOM 0 HA PRO A 95 -2.595 30.426 -7.943 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.030 32.433 -9.124 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.769 32.607 -8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.634 33.666 -7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.981 34.544 -7.764 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.268 33.516 -5.295 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.608 33.385 -6.416 1.00 0.00 H new ATOM 762 N TRP A 96 0.195 30.500 -6.471 1.00 0.00 N ATOM 763 CA TRP A 96 1.574 29.985 -6.402 1.00 0.00 C ATOM 764 C TRP A 96 1.717 28.452 -6.486 1.00 0.00 C ATOM 765 O TRP A 96 2.797 27.961 -6.832 1.00 0.00 O ATOM 766 CB TRP A 96 2.206 30.467 -5.087 1.00 0.00 C ATOM 767 CG TRP A 96 1.718 29.754 -3.859 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.474 29.849 -3.336 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.419 28.773 -3.029 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.358 29.014 -2.242 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.525 28.321 -2.011 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.715 28.208 -3.041 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.898 27.367 -1.052 1.00 0.00 C ATOM 774 CZ3 TRP A 96 4.100 27.249 -2.082 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.198 26.830 -1.088 1.00 0.00 C ATOM 0 H TRP A 96 -0.124 30.908 -5.592 1.00 0.00 H new ATOM 0 HA TRP A 96 2.080 30.373 -7.286 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.287 30.348 -5.154 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.009 31.533 -4.974 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.312 30.484 -3.717 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.486 28.922 -1.676 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.422 28.516 -3.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.196 27.049 -0.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 5.096 26.833 -2.111 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.502 26.098 -0.354 1.00 0.00 H new ATOM 786 N LEU A 97 0.676 27.686 -6.128 1.00 0.00 N ATOM 787 CA LEU A 97 0.803 26.257 -5.824 1.00 0.00 C ATOM 788 C LEU A 97 1.140 25.395 -7.064 1.00 0.00 C ATOM 789 O LEU A 97 0.550 25.582 -8.133 1.00 0.00 O ATOM 790 CB LEU A 97 -0.496 25.788 -5.141 1.00 0.00 C ATOM 791 CG LEU A 97 -0.425 24.382 -4.514 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.507 24.329 -3.303 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.818 23.970 -4.064 1.00 0.00 C ATOM 0 H LEU A 97 -0.276 28.041 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 97 1.650 26.123 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.760 26.504 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.302 25.803 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.032 23.706 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.521 23.317 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.515 24.613 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.150 25.020 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.777 22.976 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.188 24.683 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.489 23.956 -4.923 1.00 0.00 H new ATOM 805 N ARG A 98 2.016 24.390 -6.905 1.00 0.00 N ATOM 806 CA ARG A 98 2.303 23.346 -7.918 1.00 0.00 C ATOM 807 C ARG A 98 1.534 22.038 -7.665 1.00 0.00 C ATOM 808 O ARG A 98 1.182 21.720 -6.527 1.00 0.00 O ATOM 809 CB ARG A 98 3.813 23.057 -7.989 1.00 0.00 C ATOM 810 CG ARG A 98 4.643 24.212 -8.572 1.00 0.00 C ATOM 811 CD ARG A 98 6.127 23.835 -8.755 1.00 0.00 C ATOM 812 NE ARG A 98 6.316 22.794 -9.792 1.00 0.00 N ATOM 813 CZ ARG A 98 6.397 21.483 -9.620 1.00 0.00 C ATOM 814 NH1 ARG A 98 6.407 20.932 -8.446 1.00 0.00 N ATOM 815 NH2 ARG A 98 6.438 20.672 -10.634 1.00 0.00 N ATOM 0 H ARG A 98 2.560 24.273 -6.050 1.00 0.00 H new ATOM 0 HA ARG A 98 1.960 23.744 -8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.177 22.831 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.974 22.165 -8.595 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.225 24.507 -9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.569 25.077 -7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.695 24.724 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.529 23.478 -7.807 1.00 0.00 H new ATOM 0 HE ARG A 98 6.393 23.126 -10.753 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.351 21.513 -7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.471 19.918 -8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.408 21.042 -11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.500 19.666 -10.480 1.00 0.00 H new ATOM 829 N LEU A 99 1.295 21.278 -8.736 1.00 0.00 N ATOM 830 CA LEU A 99 0.608 19.977 -8.735 1.00 0.00 C ATOM 831 C LEU A 99 1.659 18.842 -8.823 1.00 0.00 C ATOM 832 O LEU A 99 2.388 18.756 -9.812 1.00 0.00 O ATOM 833 CB LEU A 99 -0.380 19.983 -9.929 1.00 0.00 C ATOM 834 CG LEU A 99 -1.562 18.989 -9.915 1.00 0.00 C ATOM 835 CD1 LEU A 99 -2.182 18.929 -11.311 1.00 0.00 C ATOM 836 CD2 LEU A 99 -1.171 17.584 -9.525 1.00 0.00 C ATOM 0 H LEU A 99 1.587 21.562 -9.671 1.00 0.00 H new ATOM 0 HA LEU A 99 0.045 19.805 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.794 20.988 -10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.196 19.800 -10.836 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.261 19.358 -9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.017 18.229 -11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.539 19.919 -11.593 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.432 18.596 -12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.053 16.944 -9.538 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.435 17.202 -10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.742 17.591 -8.523 1.00 0.00 H new ATOM 848 N ASP A 100 1.736 17.961 -7.813 1.00 0.00 N ATOM 849 CA ASP A 100 2.662 16.811 -7.775 1.00 0.00 C ATOM 850 C ASP A 100 1.949 15.531 -7.280 1.00 0.00 C ATOM 851 O ASP A 100 1.423 15.503 -6.166 1.00 0.00 O ATOM 852 CB ASP A 100 3.871 17.119 -6.874 1.00 0.00 C ATOM 853 CG ASP A 100 4.661 18.367 -7.306 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.507 18.282 -8.233 1.00 0.00 O ATOM 855 OD2 ASP A 100 4.484 19.441 -6.685 1.00 0.00 O ATOM 0 H ASP A 100 1.147 18.027 -6.983 1.00 0.00 H new ATOM 0 HA ASP A 100 3.012 16.636 -8.792 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.524 17.256 -5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.540 16.259 -6.872 1.00 0.00 H new ATOM 860 N MET A 101 1.904 14.477 -8.109 1.00 0.00 N ATOM 861 CA MET A 101 1.150 13.233 -7.833 1.00 0.00 C ATOM 862 C MET A 101 1.702 12.003 -8.584 1.00 0.00 C ATOM 863 O MET A 101 0.980 11.247 -9.234 1.00 0.00 O ATOM 864 CB MET A 101 -0.375 13.452 -8.014 1.00 0.00 C ATOM 865 CG MET A 101 -0.820 14.437 -9.097 1.00 0.00 C ATOM 866 SD MET A 101 -0.565 13.938 -10.821 1.00 0.00 S ATOM 867 CE MET A 101 -2.009 14.743 -11.574 1.00 0.00 C ATOM 0 H MET A 101 2.395 14.459 -9.003 1.00 0.00 H new ATOM 0 HA MET A 101 1.305 12.988 -6.782 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.831 12.486 -8.229 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.782 13.792 -7.062 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.882 14.638 -8.956 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.294 15.378 -8.936 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.173 14.337 -12.572 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.890 14.560 -10.958 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.832 15.816 -11.644 1.00 0.00 H new ATOM 877 N SER A 102 3.011 11.779 -8.440 1.00 0.00 N ATOM 878 CA SER A 102 3.655 10.498 -8.770 1.00 0.00 C ATOM 879 C SER A 102 3.209 9.386 -7.810 1.00 0.00 C ATOM 880 O SER A 102 2.794 9.655 -6.678 1.00 0.00 O ATOM 881 CB SER A 102 5.186 10.646 -8.735 1.00 0.00 C ATOM 882 OG SER A 102 5.608 11.668 -9.627 1.00 0.00 O ATOM 0 H SER A 102 3.660 12.483 -8.089 1.00 0.00 H new ATOM 0 HA SER A 102 3.347 10.218 -9.777 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.511 10.882 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.655 9.701 -9.008 1.00 0.00 H new ATOM 0 HG SER A 102 6.584 11.751 -9.592 1.00 0.00 H new ATOM 888 N ASP A 103 3.357 8.121 -8.207 1.00 0.00 N ATOM 889 CA ASP A 103 2.942 6.960 -7.395 1.00 0.00 C ATOM 890 C ASP A 103 3.540 6.986 -5.977 1.00 0.00 C ATOM 891 O ASP A 103 2.836 6.706 -5.010 1.00 0.00 O ATOM 892 CB ASP A 103 3.328 5.663 -8.112 1.00 0.00 C ATOM 893 CG ASP A 103 2.494 5.440 -9.383 1.00 0.00 C ATOM 894 OD1 ASP A 103 1.351 4.932 -9.275 1.00 0.00 O ATOM 895 OD2 ASP A 103 2.983 5.755 -10.495 1.00 0.00 O ATOM 0 H ASP A 103 3.769 7.865 -9.104 1.00 0.00 H new ATOM 0 HA ASP A 103 1.859 7.011 -7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.386 5.694 -8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.191 4.820 -7.435 1.00 0.00 H new ATOM 900 N LYS A 104 4.794 7.445 -5.831 1.00 0.00 N ATOM 901 CA LYS A 104 5.442 7.653 -4.522 1.00 0.00 C ATOM 902 C LYS A 104 4.723 8.695 -3.654 1.00 0.00 C ATOM 903 O LYS A 104 4.564 8.467 -2.458 1.00 0.00 O ATOM 904 CB LYS A 104 6.924 8.027 -4.713 1.00 0.00 C ATOM 905 CG LYS A 104 7.748 6.859 -5.281 1.00 0.00 C ATOM 906 CD LYS A 104 9.235 7.237 -5.386 1.00 0.00 C ATOM 907 CE LYS A 104 10.125 6.063 -5.822 1.00 0.00 C ATOM 908 NZ LYS A 104 9.920 5.674 -7.248 1.00 0.00 N ATOM 0 H LYS A 104 5.392 7.684 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 104 5.376 6.708 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.998 8.882 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.346 8.336 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.635 5.984 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.368 6.585 -6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.347 8.054 -6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.579 7.607 -4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.171 6.331 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.921 5.203 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.546 4.878 -7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.930 5.390 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.141 6.483 -7.864 1.00 0.00 H new ATOM 922 N ALA A 105 4.216 9.790 -4.239 1.00 0.00 N ATOM 923 CA ALA A 105 3.402 10.775 -3.520 1.00 0.00 C ATOM 924 C ALA A 105 2.068 10.166 -3.074 1.00 0.00 C ATOM 925 O ALA A 105 1.650 10.367 -1.931 1.00 0.00 O ATOM 926 CB ALA A 105 3.218 12.022 -4.399 1.00 0.00 C ATOM 0 H ALA A 105 4.360 10.016 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 105 3.916 11.080 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.613 12.756 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.193 12.453 -4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.717 11.743 -5.326 1.00 0.00 H new ATOM 932 N ILE A 106 1.440 9.353 -3.932 1.00 0.00 N ATOM 933 CA ILE A 106 0.166 8.694 -3.588 1.00 0.00 C ATOM 934 C ILE A 106 0.374 7.686 -2.464 1.00 0.00 C ATOM 935 O ILE A 106 -0.348 7.736 -1.476 1.00 0.00 O ATOM 936 CB ILE A 106 -0.515 8.083 -4.838 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.295 9.169 -5.605 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.518 6.963 -4.500 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.423 10.307 -6.123 1.00 0.00 C ATOM 0 H ILE A 106 1.788 9.134 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.527 9.447 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 106 0.295 7.663 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.809 8.706 -6.447 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.063 9.582 -4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.958 6.579 -5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.001 6.156 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.305 7.361 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.044 11.030 -6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.071 10.797 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.328 9.908 -6.805 1.00 0.00 H new ATOM 951 N PHE A 107 1.388 6.828 -2.556 1.00 0.00 N ATOM 952 CA PHE A 107 1.641 5.823 -1.515 1.00 0.00 C ATOM 953 C PHE A 107 2.102 6.451 -0.187 1.00 0.00 C ATOM 954 O PHE A 107 1.772 5.935 0.881 1.00 0.00 O ATOM 955 CB PHE A 107 2.639 4.759 -1.993 1.00 0.00 C ATOM 956 CG PHE A 107 2.319 4.066 -3.309 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.985 3.833 -3.695 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.365 3.603 -4.128 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.699 3.176 -4.900 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.078 2.930 -5.330 1.00 0.00 C ATOM 961 CZ PHE A 107 1.743 2.721 -5.720 1.00 0.00 C ATOM 0 H PHE A 107 2.047 6.805 -3.334 1.00 0.00 H new ATOM 0 HA PHE A 107 0.687 5.333 -1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.619 5.228 -2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.721 3.997 -1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.177 4.163 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.391 3.765 -3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.327 3.020 -5.198 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.884 2.573 -5.954 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.522 2.212 -6.647 1.00 0.00 H new ATOM 971 N ARG A 108 2.813 7.591 -0.225 1.00 0.00 N ATOM 972 CA ARG A 108 3.214 8.343 0.980 1.00 0.00 C ATOM 973 C ARG A 108 2.027 9.019 1.677 1.00 0.00 C ATOM 974 O ARG A 108 1.953 8.982 2.906 1.00 0.00 O ATOM 975 CB ARG A 108 4.335 9.333 0.608 1.00 0.00 C ATOM 976 CG ARG A 108 4.914 10.055 1.837 1.00 0.00 C ATOM 977 CD ARG A 108 6.165 10.876 1.495 1.00 0.00 C ATOM 978 NE ARG A 108 7.322 10.013 1.175 1.00 0.00 N ATOM 979 CZ ARG A 108 8.531 10.409 0.815 1.00 0.00 C ATOM 980 NH1 ARG A 108 8.837 11.669 0.689 1.00 0.00 N ATOM 981 NH2 ARG A 108 9.469 9.537 0.577 1.00 0.00 N ATOM 0 H ARG A 108 3.128 8.020 -1.095 1.00 0.00 H new ATOM 0 HA ARG A 108 3.603 7.641 1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.134 8.797 0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.946 10.071 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.155 10.713 2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 108 5.162 9.321 2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 108 5.952 11.526 0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 108 6.416 11.522 2.336 1.00 0.00 H new ATOM 0 HE ARG A 108 7.172 9.006 1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 108 8.134 12.385 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 108 9.780 11.939 0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 108 9.273 8.540 0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 108 10.399 9.851 0.300 1.00 0.00 H new ATOM 995 N ARG A 109 1.084 9.603 0.919 1.00 0.00 N ATOM 996 CA ARG A 109 -0.145 10.214 1.483 1.00 0.00 C ATOM 997 C ARG A 109 -1.198 9.169 1.883 1.00 0.00 C ATOM 998 O ARG A 109 -1.908 9.364 2.869 1.00 0.00 O ATOM 999 CB ARG A 109 -0.735 11.248 0.502 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.162 12.664 0.684 1.00 0.00 C ATOM 1001 CD ARG A 109 1.342 12.795 0.400 1.00 0.00 C ATOM 1002 NE ARG A 109 1.836 14.144 0.748 1.00 0.00 N ATOM 1003 CZ ARG A 109 1.833 15.237 0.002 1.00 0.00 C ATOM 1004 NH1 ARG A 109 1.356 15.254 -1.209 1.00 0.00 N ATOM 1005 NH2 ARG A 109 2.318 16.348 0.476 1.00 0.00 N ATOM 0 H ARG A 109 1.145 9.668 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 109 0.146 10.726 2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.546 10.917 -0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.817 11.283 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.702 13.346 0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -0.353 12.989 1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.889 12.046 0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 109 1.535 12.595 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 109 2.230 14.245 1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 109 0.966 14.404 -1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 109 1.372 16.118 -1.751 1.00 0.00 H new ATOM 0 HH21 ARG A 109 2.700 16.375 1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.316 17.191 -0.098 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.267 8.066 1.140 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.299 7.030 1.233 1.00 0.00 C ATOM 1021 C TYR A 110 -1.650 5.623 1.246 1.00 0.00 C ATOM 1022 O TYR A 110 -1.534 4.972 0.201 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.286 7.230 0.069 1.00 0.00 C ATOM 1024 CG TYR A 110 -3.844 8.633 -0.073 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.739 9.134 0.890 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.465 9.437 -1.165 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.275 10.428 0.749 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -3.999 10.732 -1.311 1.00 0.00 C ATOM 1029 CZ TYR A 110 -4.912 11.230 -0.354 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.439 12.479 -0.481 1.00 0.00 O ATOM 0 H TYR A 110 -0.573 7.859 0.422 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.854 7.112 2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.785 6.960 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.118 6.537 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.015 8.525 1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.762 9.059 -1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -5.966 10.808 1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.711 11.344 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.088 12.901 -1.293 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.195 5.131 2.419 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.366 3.924 2.518 1.00 0.00 C ATOM 1042 C PRO A 111 -1.101 2.614 2.184 1.00 0.00 C ATOM 1043 O PRO A 111 -0.454 1.588 1.967 1.00 0.00 O ATOM 1044 CB PRO A 111 0.184 3.930 3.948 1.00 0.00 C ATOM 1045 CG PRO A 111 -0.876 4.697 4.736 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.337 5.750 3.731 1.00 0.00 C ATOM 0 HA PRO A 111 0.424 3.953 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.315 2.918 4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.156 4.420 4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.695 4.050 5.051 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.463 5.150 5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.371 6.042 3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.732 6.654 3.805 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.437 2.634 2.094 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.256 1.477 1.717 1.00 0.00 C ATOM 1056 C HIS A 112 -3.262 1.173 0.201 1.00 0.00 C ATOM 1057 O HIS A 112 -3.800 0.137 -0.196 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.667 1.666 2.284 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.460 2.774 1.643 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.212 4.144 1.778 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.530 2.590 0.819 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.157 4.749 1.040 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -6.969 3.844 0.471 1.00 0.00 N ATOM 0 H HIS A 112 -2.988 3.471 2.285 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.801 0.589 2.156 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.217 0.732 2.171 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.591 1.864 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -6.949 1.646 0.503 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.251 5.818 0.921 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.775 4.052 -0.119 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.670 2.036 -0.646 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.605 1.826 -2.107 1.00 0.00 C ATOM 1073 C LEU A 113 -1.392 0.979 -2.552 1.00 0.00 C ATOM 1074 O LEU A 113 -1.507 0.266 -3.557 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.655 3.170 -2.874 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.021 3.870 -3.019 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.087 3.009 -3.694 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.586 4.277 -1.680 1.00 0.00 C ATOM 0 H LEU A 113 -2.223 2.899 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.492 1.248 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.976 3.863 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.260 2.998 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.805 4.737 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.019 3.570 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.755 2.738 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.248 2.104 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.549 4.767 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.719 3.392 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.899 4.966 -1.189 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.253 1.030 -1.834 1.00 0.00 N ATOM 1091 CA ARG A 114 0.909 0.145 -2.070 1.00 0.00 C ATOM 1092 C ARG A 114 0.695 -1.308 -1.590 1.00 0.00 C ATOM 1093 O ARG A 114 1.629 -2.129 -1.738 1.00 0.00 O ATOM 1094 CB ARG A 114 2.183 0.789 -1.490 1.00 0.00 C ATOM 1095 CG ARG A 114 2.368 0.584 0.028 1.00 0.00 C ATOM 1096 CD ARG A 114 3.511 -0.398 0.329 1.00 0.00 C ATOM 1097 NE ARG A 114 3.350 -1.044 1.643 1.00 0.00 N ATOM 1098 CZ ARG A 114 2.715 -2.176 1.883 1.00 0.00 C ATOM 1099 NH1 ARG A 114 2.096 -2.845 0.953 1.00 0.00 N ATOM 1100 NH2 ARG A 114 2.690 -2.666 3.090 1.00 0.00 N ATOM 1101 OXT ARG A 114 -0.372 -1.636 -1.021 1.00 0.00 O ATOM 0 H ARG A 114 -0.111 1.690 -1.069 1.00 0.00 H new ATOM 0 HA ARG A 114 1.033 0.049 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.050 0.379 -2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.162 1.858 -1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.576 1.543 0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.441 0.208 0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.548 -1.161 -0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.463 0.133 0.300 1.00 0.00 H new ATOM 0 HE ARG A 114 3.769 -0.571 2.444 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.089 -2.498 -0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.618 -3.716 1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.161 -2.175 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.199 -3.541 3.275 1.00 0.00 H new TER 1115 ARG A 114