USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 673 hydrogens (8 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 41 TYR OH : rot 33:sc= 1.06 USER MOD Set 1.2: A 62 GLN : amide:sc= 1.34 K(o=2.1,f=0.91) USER MOD Set 1.3: A 97 GLN : amide:sc= -0.331 X(o=2.1,f=2) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.118 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 27:sc= 0.0907 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0015 USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 1.17 (180deg=0.323) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.348 K(o=-0.35,f=-6.5!) USER MOD Single : A 21 ASN : amide:sc= 0.0307 X(o=0.031,f=-0.053) USER MOD Single : A 23 MET CE :methyl 168:sc= -1.36 (180deg=-1.61) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.16) USER MOD Single : A 35 GLN : amide:sc= 0.334 X(o=0.33,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 98:sc= 1.24 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 103:sc= 1.64 USER MOD Single : A 70 SER OG : rot 59:sc= 0.0681 USER MOD Single : A 75 SER OG : rot -104:sc= 1.18 USER MOD Single : A 76 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.61) USER MOD Single : A 83 MET CE :methyl -176:sc= -0.307 (180deg=-0.349) USER MOD Single : A 84 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 86 THR OG1 : rot 115:sc= 1.07 USER MOD Single : A 87 SER OG : rot 76:sc= 1.18 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -74:sc= 1.05 USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 2.7 (180deg=2.61) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 STF S18 : rot 106:sc= 1.62 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.601 -0.427 -18.962 1.00 0.00 N ATOM 2 CA GLY A 1 1.465 -1.262 -18.547 1.00 0.00 C ATOM 3 C GLY A 1 0.189 -0.445 -18.466 1.00 0.00 C ATOM 4 O GLY A 1 0.275 0.777 -18.382 1.00 0.00 O ATOM 0 H1 GLY A 1 2.870 -0.667 -19.938 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.330 0.576 -18.914 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.408 -0.599 -18.328 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.333 -2.080 -19.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.675 -1.712 -17.577 1.00 0.00 H new ATOM 10 N PRO A 2 -0.987 -1.094 -18.521 1.00 0.00 N ATOM 11 CA PRO A 2 -2.275 -0.432 -18.322 1.00 0.00 C ATOM 12 C PRO A 2 -2.495 -0.084 -16.841 1.00 0.00 C ATOM 13 O PRO A 2 -1.785 -0.584 -15.967 1.00 0.00 O ATOM 14 CB PRO A 2 -3.311 -1.453 -18.814 1.00 0.00 C ATOM 15 CG PRO A 2 -2.657 -2.795 -18.481 1.00 0.00 C ATOM 16 CD PRO A 2 -1.169 -2.528 -18.707 1.00 0.00 C ATOM 0 HA PRO A 2 -2.342 0.514 -18.860 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.268 -1.333 -18.306 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.502 -1.351 -19.882 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.860 -3.097 -17.454 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.025 -3.593 -19.126 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.559 -3.094 -18.002 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.865 -2.834 -19.708 1.00 0.00 H new ATOM 21 N LEU A 3 -3.521 0.717 -16.558 1.00 0.00 N ATOM 22 CA LEU A 3 -4.035 0.952 -15.209 1.00 0.00 C ATOM 23 C LEU A 3 -5.533 1.240 -15.300 1.00 0.00 C ATOM 24 O LEU A 3 -5.989 1.820 -16.289 1.00 0.00 O ATOM 25 CB LEU A 3 -3.219 2.048 -14.487 1.00 0.00 C ATOM 26 CG LEU A 3 -3.213 3.453 -15.124 1.00 0.00 C ATOM 27 CD1 LEU A 3 -4.367 4.336 -14.642 1.00 0.00 C ATOM 28 CD2 LEU A 3 -1.920 4.181 -14.745 1.00 0.00 C ATOM 0 H LEU A 3 -4.030 1.232 -17.276 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.913 0.064 -14.589 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.600 2.139 -13.470 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.187 1.706 -14.411 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.308 3.297 -16.199 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.307 5.310 -15.127 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.316 3.864 -14.894 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.301 4.464 -13.562 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.916 5.174 -15.195 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.859 4.274 -13.661 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.063 3.614 -15.109 1.00 0.00 H new ATOM 39 N GLY A 4 -6.291 0.767 -14.311 1.00 0.00 N ATOM 40 CA GLY A 4 -7.736 0.920 -14.243 1.00 0.00 C ATOM 41 C GLY A 4 -8.182 2.312 -13.802 1.00 0.00 C ATOM 42 O GLY A 4 -7.905 3.322 -14.452 1.00 0.00 O ATOM 0 H GLY A 4 -5.904 0.255 -13.518 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.163 0.704 -15.223 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.139 0.182 -13.550 1.00 0.00 H new ATOM 46 N SER A 5 -8.961 2.359 -12.725 1.00 0.00 N ATOM 47 CA SER A 5 -9.404 3.613 -12.107 1.00 0.00 C ATOM 48 C SER A 5 -9.726 3.377 -10.636 1.00 0.00 C ATOM 49 O SER A 5 -9.041 3.888 -9.751 1.00 0.00 O ATOM 50 CB SER A 5 -10.630 4.153 -12.859 1.00 0.00 C ATOM 51 OG SER A 5 -10.915 5.485 -12.481 1.00 0.00 O ATOM 0 H SER A 5 -9.307 1.525 -12.251 1.00 0.00 H new ATOM 0 HA SER A 5 -8.607 4.355 -12.168 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.450 4.107 -13.933 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.494 3.521 -12.653 1.00 0.00 H new ATOM 0 HG SER A 5 -11.698 5.805 -12.975 1.00 0.00 H new ATOM 56 N LEU A 6 -10.719 2.523 -10.385 1.00 0.00 N ATOM 57 CA LEU A 6 -11.140 2.062 -9.068 1.00 0.00 C ATOM 58 C LEU A 6 -12.060 0.851 -9.242 1.00 0.00 C ATOM 59 O LEU A 6 -13.042 0.905 -9.983 1.00 0.00 O ATOM 60 CB LEU A 6 -11.826 3.209 -8.286 1.00 0.00 C ATOM 61 CG LEU A 6 -13.084 3.840 -8.931 1.00 0.00 C ATOM 62 CD1 LEU A 6 -14.370 3.367 -8.248 1.00 0.00 C ATOM 63 CD2 LEU A 6 -13.044 5.365 -8.818 1.00 0.00 C ATOM 0 H LEU A 6 -11.278 2.115 -11.135 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.274 1.757 -8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.102 2.831 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -11.092 3.999 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 6 -13.083 3.527 -9.975 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -15.230 3.832 -8.730 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -14.449 2.283 -8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -14.348 3.648 -7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -13.937 5.787 -9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -13.007 5.651 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.159 5.745 -9.329 1.00 0.00 H new ATOM 74 N ARG A 7 -11.737 -0.250 -8.566 1.00 0.00 N ATOM 75 CA ARG A 7 -12.567 -1.456 -8.470 1.00 0.00 C ATOM 76 C ARG A 7 -12.091 -2.264 -7.272 1.00 0.00 C ATOM 77 O ARG A 7 -10.967 -2.086 -6.810 1.00 0.00 O ATOM 78 CB ARG A 7 -12.496 -2.272 -9.782 1.00 0.00 C ATOM 79 CG ARG A 7 -13.885 -2.379 -10.441 1.00 0.00 C ATOM 80 CD ARG A 7 -13.838 -2.988 -11.847 1.00 0.00 C ATOM 81 NE ARG A 7 -13.126 -2.116 -12.798 1.00 0.00 N ATOM 82 CZ ARG A 7 -13.637 -1.132 -13.517 1.00 0.00 C ATOM 83 NH1 ARG A 7 -14.920 -0.898 -13.549 1.00 0.00 N ATOM 84 NH2 ARG A 7 -12.874 -0.356 -14.220 1.00 0.00 N ATOM 0 H ARG A 7 -10.860 -0.333 -8.051 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.614 -1.188 -8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.798 -1.798 -10.472 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -12.110 -3.270 -9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -14.534 -2.986 -9.810 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -14.332 -1.386 -10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -13.345 -3.960 -11.806 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -14.854 -3.160 -12.203 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.128 -2.291 -12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -15.559 -1.482 -13.009 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -15.285 -0.131 -14.114 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.864 -0.500 -14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -13.283 0.399 -14.770 1.00 0.00 H new ATOM 95 N LYS A 8 -12.959 -3.105 -6.713 1.00 0.00 N ATOM 96 CA LYS A 8 -12.609 -3.939 -5.554 1.00 0.00 C ATOM 97 C LYS A 8 -12.037 -5.281 -6.021 1.00 0.00 C ATOM 98 O LYS A 8 -12.648 -6.327 -5.843 1.00 0.00 O ATOM 99 CB LYS A 8 -13.768 -3.991 -4.525 1.00 0.00 C ATOM 100 CG LYS A 8 -13.517 -3.090 -3.293 1.00 0.00 C ATOM 101 CD LYS A 8 -13.483 -1.573 -3.558 1.00 0.00 C ATOM 102 CE LYS A 8 -13.065 -0.823 -2.280 1.00 0.00 C ATOM 103 NZ LYS A 8 -13.068 0.652 -2.452 1.00 0.00 N ATOM 0 H LYS A 8 -13.916 -3.231 -7.043 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.798 -3.485 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.694 -3.684 -5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.908 -5.020 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.294 -3.292 -2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.568 -3.381 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.783 -1.352 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.465 -1.231 -3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.742 -1.091 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.068 -1.148 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.779 1.106 -1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.402 0.915 -3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.025 0.970 -2.708 1.00 0.00 H new ATOM 113 N GLU A 9 -10.854 -5.228 -6.633 1.00 0.00 N ATOM 114 CA GLU A 9 -10.143 -6.405 -7.142 1.00 0.00 C ATOM 115 C GLU A 9 -8.607 -6.233 -7.045 1.00 0.00 C ATOM 116 O GLU A 9 -8.149 -5.134 -6.731 1.00 0.00 O ATOM 117 CB GLU A 9 -10.711 -6.750 -8.537 1.00 0.00 C ATOM 118 CG GLU A 9 -10.188 -5.914 -9.709 1.00 0.00 C ATOM 119 CD GLU A 9 -11.038 -6.142 -10.971 1.00 0.00 C ATOM 120 OE1 GLU A 9 -11.575 -7.260 -11.176 1.00 0.00 O ATOM 121 OE2 GLU A 9 -11.236 -5.180 -11.749 1.00 0.00 O ATOM 0 H GLU A 9 -10.354 -4.354 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.320 -7.280 -6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.498 -7.799 -8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.795 -6.646 -8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.203 -4.857 -9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.150 -6.176 -9.913 1.00 0.00 H new ATOM 126 N PRO A 10 -7.805 -7.310 -7.191 1.00 0.00 N ATOM 127 CA PRO A 10 -6.356 -7.256 -7.016 1.00 0.00 C ATOM 128 C PRO A 10 -5.693 -6.614 -8.236 1.00 0.00 C ATOM 129 O PRO A 10 -5.825 -7.102 -9.359 1.00 0.00 O ATOM 130 CB PRO A 10 -5.923 -8.710 -6.823 1.00 0.00 C ATOM 131 CG PRO A 10 -6.930 -9.501 -7.651 1.00 0.00 C ATOM 132 CD PRO A 10 -8.209 -8.670 -7.534 1.00 0.00 C ATOM 0 HA PRO A 10 -6.059 -6.644 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.903 -8.873 -7.171 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.952 -9.000 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.608 -9.601 -8.688 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.068 -10.509 -7.261 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.764 -8.682 -8.472 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.867 -9.081 -6.769 1.00 0.00 H new ATOM 137 N GLU A 11 -4.992 -5.507 -8.023 1.00 0.00 N ATOM 138 CA GLU A 11 -4.567 -4.608 -9.097 1.00 0.00 C ATOM 139 C GLU A 11 -3.511 -3.610 -8.592 1.00 0.00 C ATOM 140 O GLU A 11 -3.214 -3.509 -7.395 1.00 0.00 O ATOM 141 CB GLU A 11 -5.785 -3.842 -9.717 1.00 0.00 C ATOM 142 CG GLU A 11 -5.645 -3.623 -11.244 1.00 0.00 C ATOM 143 CD GLU A 11 -6.637 -2.603 -11.857 1.00 0.00 C ATOM 144 OE1 GLU A 11 -7.869 -2.811 -11.748 1.00 0.00 O ATOM 145 OE2 GLU A 11 -6.175 -1.650 -12.537 1.00 0.00 O ATOM 0 H GLU A 11 -4.699 -5.203 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.120 -5.222 -9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.699 -4.401 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.889 -2.875 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.629 -3.290 -11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.777 -4.581 -11.746 1.00 0.00 H new ATOM 150 N ILE A 12 -2.969 -2.826 -9.523 1.00 0.00 N ATOM 151 CA ILE A 12 -2.341 -1.542 -9.219 1.00 0.00 C ATOM 152 C ILE A 12 -3.369 -0.609 -8.552 1.00 0.00 C ATOM 153 O ILE A 12 -4.498 -0.476 -9.021 1.00 0.00 O ATOM 154 CB ILE A 12 -1.720 -0.928 -10.503 1.00 0.00 C ATOM 155 CG1 ILE A 12 -0.801 0.266 -10.154 1.00 0.00 C ATOM 156 CG2 ILE A 12 -2.763 -0.536 -11.569 1.00 0.00 C ATOM 157 CD1 ILE A 12 -0.093 0.903 -11.357 1.00 0.00 C ATOM 0 H ILE A 12 -2.953 -3.065 -10.514 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.523 -1.686 -8.513 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.118 -1.716 -10.954 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.395 1.030 -9.653 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.047 -0.069 -9.442 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.256 -0.114 -12.437 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.325 -1.420 -11.871 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.447 0.204 -11.154 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.529 1.731 -11.017 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.532 0.157 -11.848 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.837 1.274 -12.062 1.00 0.00 H new ATOM 168 N ILE A 13 -2.970 0.087 -7.490 1.00 0.00 N ATOM 169 CA ILE A 13 -3.743 1.176 -6.875 1.00 0.00 C ATOM 170 C ILE A 13 -2.788 2.352 -6.661 1.00 0.00 C ATOM 171 O ILE A 13 -1.599 2.168 -6.412 1.00 0.00 O ATOM 172 CB ILE A 13 -4.473 0.708 -5.586 1.00 0.00 C ATOM 173 CG1 ILE A 13 -5.525 -0.370 -5.957 1.00 0.00 C ATOM 174 CG2 ILE A 13 -5.132 1.895 -4.848 1.00 0.00 C ATOM 175 CD1 ILE A 13 -6.511 -0.760 -4.848 1.00 0.00 C ATOM 0 H ILE A 13 -2.083 -0.090 -7.019 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.551 1.501 -7.530 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.741 0.276 -4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.096 -0.012 -6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.997 -1.268 -6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.634 1.532 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.367 2.619 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.861 2.372 -5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.197 -1.520 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.961 -1.157 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.076 0.119 -4.538 1.00 0.00 H new ATOM 186 N THR A 14 -3.277 3.583 -6.777 1.00 0.00 N ATOM 187 CA THR A 14 -2.448 4.782 -6.619 1.00 0.00 C ATOM 188 C THR A 14 -3.141 5.810 -5.741 1.00 0.00 C ATOM 189 O THR A 14 -4.367 5.921 -5.741 1.00 0.00 O ATOM 190 CB THR A 14 -2.012 5.337 -7.982 1.00 0.00 C ATOM 191 OG1 THR A 14 -1.075 6.368 -7.800 1.00 0.00 O ATOM 192 CG2 THR A 14 -3.152 5.889 -8.836 1.00 0.00 C ATOM 0 H THR A 14 -4.256 3.781 -6.983 1.00 0.00 H new ATOM 0 HA THR A 14 -1.530 4.508 -6.099 1.00 0.00 H new ATOM 0 HB THR A 14 -1.590 4.485 -8.515 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.593 6.227 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.753 6.259 -9.780 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.875 5.098 -9.033 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.643 6.704 -8.305 1.00 0.00 H new ATOM 200 N VAL A 15 -2.351 6.509 -4.926 1.00 0.00 N ATOM 201 CA VAL A 15 -2.833 7.238 -3.753 1.00 0.00 C ATOM 202 C VAL A 15 -2.115 8.586 -3.662 1.00 0.00 C ATOM 203 O VAL A 15 -0.970 8.689 -3.217 1.00 0.00 O ATOM 204 CB VAL A 15 -2.714 6.397 -2.455 1.00 0.00 C ATOM 205 CG1 VAL A 15 -4.046 6.473 -1.718 1.00 0.00 C ATOM 206 CG2 VAL A 15 -2.415 4.896 -2.628 1.00 0.00 C ATOM 0 H VAL A 15 -1.343 6.586 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.899 7.432 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.861 6.828 -1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.988 5.888 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.268 7.512 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.837 6.073 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.356 4.421 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.211 4.431 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.465 4.772 -3.149 1.00 0.00 H new ATOM 216 N THR A 16 -2.770 9.615 -4.203 1.00 0.00 N ATOM 217 CA THR A 16 -2.251 10.984 -4.323 1.00 0.00 C ATOM 218 C THR A 16 -2.277 11.749 -2.996 1.00 0.00 C ATOM 219 O THR A 16 -3.095 11.508 -2.107 1.00 0.00 O ATOM 220 CB THR A 16 -3.051 11.781 -5.369 1.00 0.00 C ATOM 221 OG1 THR A 16 -4.426 11.730 -5.077 1.00 0.00 O ATOM 222 CG2 THR A 16 -2.878 11.233 -6.785 1.00 0.00 C ATOM 0 H THR A 16 -3.711 9.517 -4.584 1.00 0.00 H new ATOM 0 HA THR A 16 -1.212 10.884 -4.636 1.00 0.00 H new ATOM 0 HB THR A 16 -2.666 12.800 -5.325 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.922 12.242 -5.749 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.464 11.833 -7.481 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.826 11.276 -7.066 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.221 10.199 -6.819 1.00 0.00 H new ATOM 230 N LEU A 17 -1.388 12.734 -2.861 1.00 0.00 N ATOM 231 CA LEU A 17 -1.272 13.610 -1.686 1.00 0.00 C ATOM 232 C LEU A 17 -2.329 14.744 -1.700 1.00 0.00 C ATOM 233 O LEU A 17 -2.003 15.908 -1.479 1.00 0.00 O ATOM 234 CB LEU A 17 0.192 14.112 -1.577 1.00 0.00 C ATOM 235 CG LEU A 17 1.214 13.161 -0.913 1.00 0.00 C ATOM 236 CD1 LEU A 17 1.198 13.309 0.608 1.00 0.00 C ATOM 237 CD2 LEU A 17 1.046 11.667 -1.214 1.00 0.00 C ATOM 0 H LEU A 17 -0.706 12.954 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.496 13.046 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.547 14.342 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.188 15.048 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 17 2.157 13.478 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.927 12.628 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.452 14.334 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.204 13.070 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.819 11.102 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.064 11.336 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.135 11.500 -2.287 1.00 0.00 H new ATOM 248 N LYS A 18 -3.608 14.395 -1.922 1.00 0.00 N ATOM 249 CA LYS A 18 -4.801 15.278 -2.023 1.00 0.00 C ATOM 250 C LYS A 18 -4.835 16.503 -1.094 1.00 0.00 C ATOM 251 O LYS A 18 -5.349 17.546 -1.482 1.00 0.00 O ATOM 252 CB LYS A 18 -6.038 14.395 -1.763 1.00 0.00 C ATOM 253 CG LYS A 18 -7.396 15.124 -1.779 1.00 0.00 C ATOM 254 CD LYS A 18 -7.810 15.596 -3.182 1.00 0.00 C ATOM 255 CE LYS A 18 -9.216 16.211 -3.214 1.00 0.00 C ATOM 256 NZ LYS A 18 -10.245 15.289 -2.677 1.00 0.00 N ATOM 0 H LYS A 18 -3.863 13.415 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.774 15.717 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.062 13.605 -2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.918 13.910 -0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.164 14.458 -1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.348 15.985 -1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.089 16.331 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.773 14.751 -3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.220 17.134 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.470 16.478 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.192 15.665 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.138 14.354 -3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.128 15.201 -1.647 1.00 0.00 H new ATOM 266 N LYS A 19 -4.333 16.349 0.135 1.00 0.00 N ATOM 267 CA LYS A 19 -4.345 17.351 1.214 1.00 0.00 C ATOM 268 C LYS A 19 -2.974 17.498 1.899 1.00 0.00 C ATOM 269 O LYS A 19 -2.903 17.872 3.064 1.00 0.00 O ATOM 270 CB LYS A 19 -5.523 17.006 2.150 1.00 0.00 C ATOM 271 CG LYS A 19 -5.902 18.136 3.127 1.00 0.00 C ATOM 272 CD LYS A 19 -7.400 18.119 3.466 1.00 0.00 C ATOM 273 CE LYS A 19 -8.213 18.731 2.317 1.00 0.00 C ATOM 274 NZ LYS A 19 -9.665 18.512 2.499 1.00 0.00 N ATOM 0 H LYS A 19 -3.884 15.479 0.422 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.513 18.353 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.394 16.757 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.268 16.115 2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.321 18.034 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.640 19.099 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.727 17.095 3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.578 18.678 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.011 19.800 2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.894 18.293 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.183 18.939 1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.861 17.491 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.974 18.952 3.389 1.00 0.00 H new ATOM 284 N GLN A 20 -1.900 17.133 1.183 1.00 0.00 N ATOM 285 CA GLN A 20 -0.461 17.293 1.482 1.00 0.00 C ATOM 286 C GLN A 20 0.105 16.798 2.839 1.00 0.00 C ATOM 287 O GLN A 20 1.322 16.689 2.958 1.00 0.00 O ATOM 288 CB GLN A 20 -0.032 18.754 1.219 1.00 0.00 C ATOM 289 CG GLN A 20 -0.241 19.246 -0.229 1.00 0.00 C ATOM 290 CD GLN A 20 -1.536 20.032 -0.457 1.00 0.00 C ATOM 291 OE1 GLN A 20 -2.568 19.808 0.144 1.00 0.00 O ATOM 292 NE2 GLN A 20 -1.533 21.007 -1.340 1.00 0.00 N ATOM 0 H GLN A 20 -2.027 16.669 0.284 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.007 16.582 0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.588 19.407 1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.023 18.858 1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.604 19.875 -0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.233 18.384 -0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.683 21.220 -1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.381 21.550 -1.503 1.00 0.00 H new ATOM 299 N ASN A 21 -0.718 16.468 3.842 1.00 0.00 N ATOM 300 CA ASN A 21 -0.357 16.091 5.222 1.00 0.00 C ATOM 301 C ASN A 21 0.310 14.698 5.356 1.00 0.00 C ATOM 302 O ASN A 21 -0.110 13.867 6.160 1.00 0.00 O ATOM 303 CB ASN A 21 -1.633 16.213 6.087 1.00 0.00 C ATOM 304 CG ASN A 21 -1.324 16.218 7.579 1.00 0.00 C ATOM 305 OD1 ASN A 21 -0.665 17.111 8.083 1.00 0.00 O ATOM 306 ND2 ASN A 21 -1.792 15.263 8.349 1.00 0.00 N ATOM 0 H ASN A 21 -1.729 16.455 3.704 1.00 0.00 H new ATOM 0 HA ASN A 21 0.417 16.774 5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.160 17.130 5.825 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.303 15.384 5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.602 15.277 9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.346 14.507 7.945 1.00 0.00 H new ATOM 312 N GLY A 22 1.288 14.388 4.502 1.00 0.00 N ATOM 313 CA GLY A 22 1.785 13.028 4.285 1.00 0.00 C ATOM 314 C GLY A 22 0.697 12.076 3.766 1.00 0.00 C ATOM 315 O GLY A 22 -0.457 12.452 3.552 1.00 0.00 O ATOM 0 H GLY A 22 1.765 15.087 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.608 13.056 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.187 12.639 5.220 1.00 0.00 H new ATOM 319 N MET A 23 1.054 10.809 3.535 1.00 0.00 N ATOM 320 CA MET A 23 0.069 9.790 3.154 1.00 0.00 C ATOM 321 C MET A 23 -0.840 9.414 4.328 1.00 0.00 C ATOM 322 O MET A 23 -2.060 9.430 4.170 1.00 0.00 O ATOM 323 CB MET A 23 0.785 8.554 2.593 1.00 0.00 C ATOM 324 CG MET A 23 1.332 8.820 1.184 1.00 0.00 C ATOM 325 SD MET A 23 3.088 8.462 0.938 1.00 0.00 S ATOM 326 CE MET A 23 3.122 6.703 1.358 1.00 0.00 C ATOM 0 H MET A 23 2.012 10.465 3.604 1.00 0.00 H new ATOM 0 HA MET A 23 -0.571 10.209 2.377 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.603 8.272 3.256 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.094 7.712 2.564 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.757 8.226 0.474 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.157 9.868 0.939 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.078 6.275 1.057 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.994 6.583 2.434 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.315 6.189 0.837 1.00 0.00 H new ATOM 334 N GLY A 24 -0.261 9.113 5.496 1.00 0.00 N ATOM 335 CA GLY A 24 -1.003 8.643 6.668 1.00 0.00 C ATOM 336 C GLY A 24 -1.594 7.249 6.459 1.00 0.00 C ATOM 337 O GLY A 24 -2.807 7.076 6.504 1.00 0.00 O ATOM 0 H GLY A 24 0.744 9.190 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.340 8.628 7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.805 9.346 6.893 1.00 0.00 H new ATOM 341 N LEU A 25 -0.752 6.247 6.225 1.00 0.00 N ATOM 342 CA LEU A 25 -1.155 4.860 5.967 1.00 0.00 C ATOM 343 C LEU A 25 -0.360 3.901 6.873 1.00 0.00 C ATOM 344 O LEU A 25 0.560 4.303 7.574 1.00 0.00 O ATOM 345 CB LEU A 25 -0.975 4.558 4.465 1.00 0.00 C ATOM 346 CG LEU A 25 -1.868 5.366 3.501 1.00 0.00 C ATOM 347 CD1 LEU A 25 -1.504 5.025 2.057 1.00 0.00 C ATOM 348 CD2 LEU A 25 -3.354 5.072 3.690 1.00 0.00 C ATOM 0 H LEU A 25 0.260 6.377 6.208 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.207 4.713 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.067 4.738 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.166 3.497 4.303 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.693 6.419 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.136 5.597 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.458 5.275 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.657 3.960 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.935 5.668 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.541 4.013 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.648 5.325 4.709 1.00 0.00 H new ATOM 359 N SER A 26 -0.699 2.617 6.894 1.00 0.00 N ATOM 360 CA SER A 26 -0.073 1.627 7.774 1.00 0.00 C ATOM 361 C SER A 26 0.105 0.318 7.014 1.00 0.00 C ATOM 362 O SER A 26 -0.856 -0.223 6.466 1.00 0.00 O ATOM 363 CB SER A 26 -0.947 1.435 9.015 1.00 0.00 C ATOM 364 OG SER A 26 -0.305 0.572 9.929 1.00 0.00 O ATOM 0 H SER A 26 -1.425 2.226 6.294 1.00 0.00 H new ATOM 0 HA SER A 26 0.910 1.971 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.140 2.399 9.486 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.914 1.021 8.729 1.00 0.00 H new ATOM 0 HG SER A 26 -0.870 0.456 10.721 1.00 0.00 H new ATOM 369 N ILE A 27 1.340 -0.185 6.953 1.00 0.00 N ATOM 370 CA ILE A 27 1.711 -1.426 6.259 1.00 0.00 C ATOM 371 C ILE A 27 2.619 -2.268 7.140 1.00 0.00 C ATOM 372 O ILE A 27 3.371 -1.749 7.962 1.00 0.00 O ATOM 373 CB ILE A 27 2.377 -1.208 4.876 1.00 0.00 C ATOM 374 CG1 ILE A 27 3.556 -0.207 4.904 1.00 0.00 C ATOM 375 CG2 ILE A 27 1.319 -0.801 3.849 1.00 0.00 C ATOM 376 CD1 ILE A 27 4.915 -0.911 4.943 1.00 0.00 C ATOM 0 H ILE A 27 2.136 0.272 7.398 1.00 0.00 H new ATOM 0 HA ILE A 27 0.774 -1.948 6.065 1.00 0.00 H new ATOM 0 HB ILE A 27 2.819 -2.160 4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.506 0.434 4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.459 0.440 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.793 -0.649 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.569 -1.588 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.840 0.125 4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.710 -0.166 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.978 -1.531 5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.026 -1.538 4.058 1.00 0.00 H new ATOM 387 N VAL A 28 2.555 -3.576 6.909 1.00 0.00 N ATOM 388 CA VAL A 28 3.413 -4.589 7.529 1.00 0.00 C ATOM 389 C VAL A 28 3.847 -5.564 6.443 1.00 0.00 C ATOM 390 O VAL A 28 3.005 -6.103 5.722 1.00 0.00 O ATOM 391 CB VAL A 28 2.684 -5.325 8.677 1.00 0.00 C ATOM 392 CG1 VAL A 28 3.544 -6.432 9.307 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.286 -4.362 9.807 1.00 0.00 C ATOM 0 H VAL A 28 1.879 -3.978 6.260 1.00 0.00 H new ATOM 0 HA VAL A 28 4.285 -4.109 7.974 1.00 0.00 H new ATOM 0 HB VAL A 28 1.799 -5.763 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.984 -6.916 10.107 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.802 -7.169 8.547 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.456 -5.996 9.714 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.776 -4.916 10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.180 -3.891 10.215 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.619 -3.595 9.413 1.00 0.00 H new ATOM 403 N ALA A 29 5.155 -5.791 6.329 1.00 0.00 N ATOM 404 CA ALA A 29 5.694 -6.906 5.559 1.00 0.00 C ATOM 405 C ALA A 29 5.971 -8.115 6.460 1.00 0.00 C ATOM 406 O ALA A 29 6.106 -8.007 7.679 1.00 0.00 O ATOM 407 CB ALA A 29 6.972 -6.492 4.823 1.00 0.00 C ATOM 0 H ALA A 29 5.867 -5.207 6.767 1.00 0.00 H new ATOM 0 HA ALA A 29 4.944 -7.192 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.356 -7.340 4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.750 -5.670 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.721 -6.171 5.547 1.00 0.00 H new ATOM 413 N ALA A 30 6.143 -9.265 5.824 1.00 0.00 N ATOM 414 CA ALA A 30 6.726 -10.453 6.418 1.00 0.00 C ATOM 415 C ALA A 30 7.968 -10.870 5.617 1.00 0.00 C ATOM 416 O ALA A 30 8.232 -10.365 4.520 1.00 0.00 O ATOM 417 CB ALA A 30 5.649 -11.543 6.496 1.00 0.00 C ATOM 0 H ALA A 30 5.871 -9.398 4.850 1.00 0.00 H new ATOM 0 HA ALA A 30 7.067 -10.265 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.074 -12.443 6.941 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.819 -11.192 7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.288 -11.770 5.493 1.00 0.00 H new ATOM 423 N LYS A 31 8.719 -11.826 6.154 1.00 0.00 N ATOM 424 CA LYS A 31 9.890 -12.437 5.522 1.00 0.00 C ATOM 425 C LYS A 31 9.769 -13.959 5.547 1.00 0.00 C ATOM 426 O LYS A 31 8.892 -14.517 6.206 1.00 0.00 O ATOM 427 CB LYS A 31 11.165 -11.921 6.224 1.00 0.00 C ATOM 428 CG LYS A 31 11.513 -10.512 5.709 1.00 0.00 C ATOM 429 CD LYS A 31 12.760 -9.886 6.333 1.00 0.00 C ATOM 430 CE LYS A 31 12.533 -9.516 7.800 1.00 0.00 C ATOM 431 NZ LYS A 31 13.599 -8.610 8.271 1.00 0.00 N ATOM 0 H LYS A 31 8.524 -12.214 7.077 1.00 0.00 H new ATOM 0 HA LYS A 31 9.952 -12.152 4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.012 -11.896 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.995 -12.602 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.651 -10.560 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.664 -9.854 5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.594 -10.584 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.039 -8.994 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.561 -9.036 7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.517 -10.418 8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.585 -8.568 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.523 -8.965 7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.441 -7.658 7.884 1.00 0.00 H new ATOM 441 N GLY A 32 10.657 -14.635 4.826 1.00 0.00 N ATOM 442 CA GLY A 32 10.804 -16.092 4.855 1.00 0.00 C ATOM 443 C GLY A 32 11.684 -16.560 6.019 1.00 0.00 C ATOM 444 O GLY A 32 12.652 -17.283 5.798 1.00 0.00 O ATOM 0 H GLY A 32 11.311 -14.178 4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.820 -16.554 4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.238 -16.431 3.914 1.00 0.00 H new ATOM 448 N ALA A 33 11.411 -16.091 7.240 1.00 0.00 N ATOM 449 CA ALA A 33 12.266 -16.299 8.408 1.00 0.00 C ATOM 450 C ALA A 33 11.440 -16.363 9.702 1.00 0.00 C ATOM 451 O ALA A 33 10.590 -15.509 9.947 1.00 0.00 O ATOM 452 CB ALA A 33 13.289 -15.155 8.467 1.00 0.00 C ATOM 0 H ALA A 33 10.574 -15.546 7.446 1.00 0.00 H new ATOM 0 HA ALA A 33 12.782 -17.255 8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.938 -15.291 9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.891 -15.158 7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.765 -14.203 8.552 1.00 0.00 H new ATOM 458 N GLY A 34 11.691 -17.380 10.535 1.00 0.00 N ATOM 459 CA GLY A 34 10.983 -17.625 11.807 1.00 0.00 C ATOM 460 C GLY A 34 9.549 -18.150 11.647 1.00 0.00 C ATOM 461 O GLY A 34 9.125 -19.018 12.405 1.00 0.00 O ATOM 0 H GLY A 34 12.411 -18.077 10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.556 -18.343 12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.955 -16.696 12.377 1.00 0.00 H new ATOM 465 N GLN A 35 8.835 -17.683 10.624 1.00 0.00 N ATOM 466 CA GLN A 35 7.698 -18.354 9.998 1.00 0.00 C ATOM 467 C GLN A 35 7.888 -18.354 8.469 1.00 0.00 C ATOM 468 O GLN A 35 8.614 -17.545 7.897 1.00 0.00 O ATOM 469 CB GLN A 35 6.358 -17.715 10.403 1.00 0.00 C ATOM 470 CG GLN A 35 5.935 -18.016 11.850 1.00 0.00 C ATOM 471 CD GLN A 35 6.317 -16.915 12.836 1.00 0.00 C ATOM 472 OE1 GLN A 35 5.709 -15.856 12.878 1.00 0.00 O ATOM 473 NE2 GLN A 35 7.309 -17.131 13.670 1.00 0.00 N ATOM 0 H GLN A 35 9.044 -16.784 10.189 1.00 0.00 H new ATOM 0 HA GLN A 35 7.662 -19.384 10.352 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.428 -16.635 10.273 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.580 -18.068 9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.855 -18.163 11.882 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.394 -18.952 12.167 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.819 -18.014 13.638 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.569 -16.416 14.349 1.00 0.00 H new ATOM 480 N ASP A 36 7.242 -19.306 7.806 1.00 0.00 N ATOM 481 CA ASP A 36 7.403 -19.728 6.405 1.00 0.00 C ATOM 482 C ASP A 36 6.787 -18.798 5.331 1.00 0.00 C ATOM 483 O ASP A 36 6.629 -19.192 4.171 1.00 0.00 O ATOM 484 CB ASP A 36 6.751 -21.124 6.307 1.00 0.00 C ATOM 485 CG ASP A 36 5.247 -21.114 6.633 1.00 0.00 C ATOM 486 OD1 ASP A 36 4.875 -20.764 7.771 1.00 0.00 O ATOM 487 OD2 ASP A 36 4.430 -21.520 5.767 1.00 0.00 O ATOM 0 H ASP A 36 6.523 -19.859 8.273 1.00 0.00 H new ATOM 0 HA ASP A 36 8.470 -19.709 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.895 -21.516 5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.260 -21.804 6.990 1.00 0.00 H new ATOM 491 N LYS A 37 6.359 -17.585 5.705 1.00 0.00 N ATOM 492 CA LYS A 37 5.149 -16.996 5.100 1.00 0.00 C ATOM 493 C LYS A 37 5.394 -15.958 4.001 1.00 0.00 C ATOM 494 O LYS A 37 4.756 -16.071 2.956 1.00 0.00 O ATOM 495 CB LYS A 37 4.241 -16.442 6.211 1.00 0.00 C ATOM 496 CG LYS A 37 3.803 -17.562 7.170 1.00 0.00 C ATOM 497 CD LYS A 37 2.901 -17.044 8.292 1.00 0.00 C ATOM 498 CE LYS A 37 2.600 -18.188 9.265 1.00 0.00 C ATOM 499 NZ LYS A 37 1.683 -17.741 10.333 1.00 0.00 N ATOM 0 H LYS A 37 6.817 -17.002 6.406 1.00 0.00 H new ATOM 0 HA LYS A 37 4.652 -17.810 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.770 -15.668 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.363 -15.972 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.275 -18.333 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.686 -18.032 7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.389 -16.223 8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.973 -16.650 7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.156 -19.024 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.529 -18.551 9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.493 -18.532 10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.120 -16.959 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.790 -17.417 9.910 1.00 0.00 H new ATOM 509 N LEU A 38 6.321 -15.007 4.195 1.00 0.00 N ATOM 510 CA LEU A 38 6.546 -13.842 3.305 1.00 0.00 C ATOM 511 C LEU A 38 5.261 -12.999 3.043 1.00 0.00 C ATOM 512 O LEU A 38 4.178 -13.328 3.524 1.00 0.00 O ATOM 513 CB LEU A 38 7.268 -14.363 2.032 1.00 0.00 C ATOM 514 CG LEU A 38 7.834 -13.341 1.023 1.00 0.00 C ATOM 515 CD1 LEU A 38 8.831 -12.375 1.662 1.00 0.00 C ATOM 516 CD2 LEU A 38 8.556 -14.079 -0.105 1.00 0.00 C ATOM 0 H LEU A 38 6.955 -15.021 4.994 1.00 0.00 H new ATOM 0 HA LEU A 38 7.190 -13.111 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.093 -14.996 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.568 -15.003 1.495 1.00 0.00 H new ATOM 0 HG LEU A 38 6.986 -12.767 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.197 -11.679 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.339 -11.819 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.669 -12.937 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.955 -13.356 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.374 -14.668 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.855 -14.740 -0.614 1.00 0.00 H new ATOM 527 N GLY A 39 5.375 -11.871 2.337 1.00 0.00 N ATOM 528 CA GLY A 39 4.240 -11.040 1.894 1.00 0.00 C ATOM 529 C GLY A 39 4.264 -9.604 2.425 1.00 0.00 C ATOM 530 O GLY A 39 5.186 -9.209 3.142 1.00 0.00 O ATOM 0 H GLY A 39 6.279 -11.497 2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.229 -11.012 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.312 -11.516 2.210 1.00 0.00 H new ATOM 534 N ILE A 40 3.238 -8.818 2.085 1.00 0.00 N ATOM 535 CA ILE A 40 3.027 -7.445 2.568 1.00 0.00 C ATOM 536 C ILE A 40 1.517 -7.180 2.671 1.00 0.00 C ATOM 537 O ILE A 40 0.739 -7.735 1.899 1.00 0.00 O ATOM 538 CB ILE A 40 3.699 -6.381 1.652 1.00 0.00 C ATOM 539 CG1 ILE A 40 4.960 -6.834 0.873 1.00 0.00 C ATOM 540 CG2 ILE A 40 3.988 -5.107 2.467 1.00 0.00 C ATOM 541 CD1 ILE A 40 5.345 -5.873 -0.258 1.00 0.00 C ATOM 0 H ILE A 40 2.506 -9.128 1.445 1.00 0.00 H new ATOM 0 HA ILE A 40 3.497 -7.356 3.548 1.00 0.00 H new ATOM 0 HB ILE A 40 2.970 -6.191 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.796 -6.923 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.785 -7.826 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.459 -4.363 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.054 -4.707 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.657 -5.348 3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.235 -6.246 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.524 -5.803 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.550 -4.886 0.157 1.00 0.00 H new ATOM 552 N TYR A 41 1.087 -6.335 3.609 1.00 0.00 N ATOM 553 CA TYR A 41 -0.324 -6.030 3.871 1.00 0.00 C ATOM 554 C TYR A 41 -0.506 -4.572 4.307 1.00 0.00 C ATOM 555 O TYR A 41 0.243 -4.083 5.153 1.00 0.00 O ATOM 556 CB TYR A 41 -0.857 -6.961 4.979 1.00 0.00 C ATOM 557 CG TYR A 41 -0.752 -8.439 4.649 1.00 0.00 C ATOM 558 CD1 TYR A 41 -1.787 -9.072 3.934 1.00 0.00 C ATOM 559 CD2 TYR A 41 0.409 -9.157 4.996 1.00 0.00 C ATOM 560 CE1 TYR A 41 -1.634 -10.407 3.514 1.00 0.00 C ATOM 561 CE2 TYR A 41 0.570 -10.489 4.567 1.00 0.00 C ATOM 562 CZ TYR A 41 -0.437 -11.102 3.794 1.00 0.00 C ATOM 563 OH TYR A 41 -0.235 -12.345 3.286 1.00 0.00 O ATOM 0 H TYR A 41 1.725 -5.830 4.224 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.881 -6.187 2.947 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.307 -6.765 5.899 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.901 -6.716 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.696 -8.535 3.708 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.177 -8.686 5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.432 -10.899 2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.462 -11.039 4.829 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.662 -12.412 2.407 1.00 0.00 H new ATOM 572 N VAL A 42 -1.531 -3.894 3.782 1.00 0.00 N ATOM 573 CA VAL A 42 -2.074 -2.644 4.340 1.00 0.00 C ATOM 574 C VAL A 42 -2.784 -2.971 5.650 1.00 0.00 C ATOM 575 O VAL A 42 -3.910 -3.466 5.653 1.00 0.00 O ATOM 576 CB VAL A 42 -3.027 -1.934 3.356 1.00 0.00 C ATOM 577 CG1 VAL A 42 -3.561 -0.615 3.935 1.00 0.00 C ATOM 578 CG2 VAL A 42 -2.321 -1.603 2.034 1.00 0.00 C ATOM 0 H VAL A 42 -2.019 -4.202 2.941 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.253 -1.951 4.522 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.851 -2.627 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.228 -0.144 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.107 -0.817 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.727 0.054 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.020 -1.104 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.473 -0.946 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.968 -2.524 1.570 1.00 0.00 H new ATOM 588 N LYS A 43 -2.118 -2.736 6.782 1.00 0.00 N ATOM 589 CA LYS A 43 -2.711 -2.924 8.112 1.00 0.00 C ATOM 590 C LYS A 43 -3.879 -1.958 8.345 1.00 0.00 C ATOM 591 O LYS A 43 -4.899 -2.378 8.880 1.00 0.00 O ATOM 592 CB LYS A 43 -1.609 -2.858 9.184 1.00 0.00 C ATOM 593 CG LYS A 43 -2.151 -3.052 10.613 1.00 0.00 C ATOM 594 CD LYS A 43 -1.058 -3.518 11.587 1.00 0.00 C ATOM 595 CE LYS A 43 -1.589 -3.509 13.027 1.00 0.00 C ATOM 596 NZ LYS A 43 -0.738 -4.307 13.942 1.00 0.00 N ATOM 0 H LYS A 43 -1.152 -2.410 6.805 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.155 -3.917 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.862 -3.624 8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.104 -1.894 9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.577 -2.114 10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.959 -3.784 10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.728 -4.522 11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.189 -2.865 11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.642 -2.481 13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.605 -3.904 13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.134 -4.273 14.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.707 -5.294 13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.225 -3.915 13.951 1.00 0.00 H new ATOM 606 N SER A 44 -3.768 -0.707 7.882 1.00 0.00 N ATOM 607 CA SER A 44 -4.846 0.293 7.940 1.00 0.00 C ATOM 608 C SER A 44 -4.507 1.579 7.168 1.00 0.00 C ATOM 609 O SER A 44 -3.375 1.800 6.741 1.00 0.00 O ATOM 610 CB SER A 44 -5.160 0.648 9.410 1.00 0.00 C ATOM 611 OG SER A 44 -4.094 1.351 10.018 1.00 0.00 O ATOM 0 H SER A 44 -2.914 -0.354 7.450 1.00 0.00 H new ATOM 0 HA SER A 44 -5.717 -0.156 7.463 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.066 1.253 9.453 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.360 -0.265 9.970 1.00 0.00 H new ATOM 0 HG SER A 44 -4.281 2.313 9.995 1.00 0.00 H new ATOM 616 N VAL A 45 -5.482 2.482 7.058 1.00 0.00 N ATOM 617 CA VAL A 45 -5.231 3.935 6.993 1.00 0.00 C ATOM 618 C VAL A 45 -4.850 4.478 8.388 1.00 0.00 C ATOM 619 O VAL A 45 -5.075 3.786 9.382 1.00 0.00 O ATOM 620 CB VAL A 45 -6.483 4.661 6.463 1.00 0.00 C ATOM 621 CG1 VAL A 45 -6.805 4.264 5.018 1.00 0.00 C ATOM 622 CG2 VAL A 45 -7.741 4.444 7.317 1.00 0.00 C ATOM 0 H VAL A 45 -6.470 2.234 7.011 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.400 4.118 6.312 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.220 5.718 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.694 4.798 4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.964 4.521 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.986 3.190 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.577 4.987 6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.978 3.381 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.562 4.810 8.328 1.00 0.00 H new ATOM 632 N VAL A 46 -4.329 5.705 8.513 1.00 0.00 N ATOM 633 CA VAL A 46 -3.944 6.296 9.825 1.00 0.00 C ATOM 634 C VAL A 46 -4.928 7.382 10.300 1.00 0.00 C ATOM 635 O VAL A 46 -4.652 8.083 11.267 1.00 0.00 O ATOM 636 CB VAL A 46 -2.448 6.709 9.837 1.00 0.00 C ATOM 637 CG1 VAL A 46 -1.894 7.366 11.115 1.00 0.00 C ATOM 638 CG2 VAL A 46 -1.587 5.453 9.649 1.00 0.00 C ATOM 0 H VAL A 46 -4.159 6.323 7.719 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.034 5.521 10.587 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.399 7.455 9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.838 7.599 10.976 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.444 8.284 11.320 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.007 6.680 11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.533 5.730 9.656 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.783 4.753 10.461 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.833 4.983 8.697 1.00 0.00 H new ATOM 648 N LYS A 47 -6.118 7.496 9.676 1.00 0.00 N ATOM 649 CA LYS A 47 -7.240 8.321 10.184 1.00 0.00 C ATOM 650 C LYS A 47 -6.832 9.805 10.347 1.00 0.00 C ATOM 651 O LYS A 47 -7.195 10.463 11.324 1.00 0.00 O ATOM 652 CB LYS A 47 -7.745 7.609 11.467 1.00 0.00 C ATOM 653 CG LYS A 47 -9.028 8.087 12.167 1.00 0.00 C ATOM 654 CD LYS A 47 -9.267 7.149 13.366 1.00 0.00 C ATOM 655 CE LYS A 47 -10.305 7.665 14.365 1.00 0.00 C ATOM 656 NZ LYS A 47 -10.400 6.734 15.513 1.00 0.00 N ATOM 0 H LYS A 47 -6.332 7.017 8.801 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.070 8.388 9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.886 6.557 11.218 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.940 7.657 12.201 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.923 9.119 12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.875 8.058 11.481 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.588 6.176 12.994 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.322 6.995 13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.026 8.659 14.713 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.276 7.759 13.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.106 7.088 16.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.686 5.793 15.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.474 6.666 15.982 1.00 0.00 H new ATOM 666 N GLY A 48 -5.983 10.313 9.451 1.00 0.00 N ATOM 667 CA GLY A 48 -5.376 11.645 9.541 1.00 0.00 C ATOM 668 C GLY A 48 -4.324 11.999 8.473 1.00 0.00 C ATOM 669 O GLY A 48 -3.364 12.698 8.793 1.00 0.00 O ATOM 0 H GLY A 48 -5.690 9.797 8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.173 12.386 9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.911 11.741 10.522 1.00 0.00 H new ATOM 673 N GLY A 49 -4.472 11.559 7.218 1.00 0.00 N ATOM 674 CA GLY A 49 -3.500 11.851 6.146 1.00 0.00 C ATOM 675 C GLY A 49 -4.125 11.976 4.759 1.00 0.00 C ATOM 676 O GLY A 49 -5.291 11.647 4.559 1.00 0.00 O ATOM 0 H GLY A 49 -5.264 10.993 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.980 12.779 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.749 11.061 6.125 1.00 0.00 H new ATOM 680 N ALA A 50 -3.370 12.479 3.779 1.00 0.00 N ATOM 681 CA ALA A 50 -3.912 12.775 2.450 1.00 0.00 C ATOM 682 C ALA A 50 -4.317 11.516 1.656 1.00 0.00 C ATOM 683 O ALA A 50 -5.346 11.513 0.984 1.00 0.00 O ATOM 684 CB ALA A 50 -2.875 13.592 1.681 1.00 0.00 C ATOM 0 H ALA A 50 -2.377 12.691 3.882 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.834 13.342 2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.258 13.824 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.672 14.519 2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.954 13.017 1.589 1.00 0.00 H new ATOM 690 N ALA A 51 -3.527 10.444 1.765 1.00 0.00 N ATOM 691 CA ALA A 51 -3.813 9.159 1.127 1.00 0.00 C ATOM 692 C ALA A 51 -4.811 8.315 1.949 1.00 0.00 C ATOM 693 O ALA A 51 -5.563 7.523 1.386 1.00 0.00 O ATOM 694 CB ALA A 51 -2.484 8.429 0.914 1.00 0.00 C ATOM 0 H ALA A 51 -2.662 10.446 2.305 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.297 9.327 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.670 7.466 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.837 9.030 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.998 8.271 1.876 1.00 0.00 H new ATOM 700 N ASP A 52 -4.872 8.518 3.265 1.00 0.00 N ATOM 701 CA ASP A 52 -5.970 8.058 4.121 1.00 0.00 C ATOM 702 C ASP A 52 -7.321 8.661 3.689 1.00 0.00 C ATOM 703 O ASP A 52 -8.217 7.917 3.285 1.00 0.00 O ATOM 704 CB ASP A 52 -5.593 8.354 5.583 1.00 0.00 C ATOM 705 CG ASP A 52 -6.755 8.711 6.504 1.00 0.00 C ATOM 706 OD1 ASP A 52 -7.508 7.805 6.924 1.00 0.00 O ATOM 707 OD2 ASP A 52 -6.828 9.897 6.881 1.00 0.00 O ATOM 0 H ASP A 52 -4.145 9.017 3.778 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.111 6.982 4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.084 7.481 5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.877 9.176 5.596 1.00 0.00 H new ATOM 711 N VAL A 53 -7.457 9.993 3.711 1.00 0.00 N ATOM 712 CA VAL A 53 -8.753 10.673 3.544 1.00 0.00 C ATOM 713 C VAL A 53 -9.345 10.550 2.136 1.00 0.00 C ATOM 714 O VAL A 53 -10.571 10.503 2.007 1.00 0.00 O ATOM 715 CB VAL A 53 -8.660 12.144 4.010 1.00 0.00 C ATOM 716 CG1 VAL A 53 -7.938 13.069 3.019 1.00 0.00 C ATOM 717 CG2 VAL A 53 -10.042 12.738 4.306 1.00 0.00 C ATOM 0 H VAL A 53 -6.673 10.632 3.845 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.460 10.150 4.188 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.065 12.098 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.914 14.083 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.918 12.715 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.468 13.067 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.931 13.773 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.653 12.704 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.525 12.160 5.094 1.00 0.00 H new ATOM 727 N ASP A 54 -8.507 10.447 1.094 1.00 0.00 N ATOM 728 CA ASP A 54 -8.968 10.390 -0.303 1.00 0.00 C ATOM 729 C ASP A 54 -8.564 9.128 -1.080 1.00 0.00 C ATOM 730 O ASP A 54 -9.195 8.806 -2.086 1.00 0.00 O ATOM 731 CB ASP A 54 -8.645 11.699 -1.038 1.00 0.00 C ATOM 732 CG ASP A 54 -9.718 12.109 -2.060 1.00 0.00 C ATOM 733 OD1 ASP A 54 -10.932 11.927 -1.797 1.00 0.00 O ATOM 734 OD2 ASP A 54 -9.363 12.748 -3.071 1.00 0.00 O ATOM 0 H ASP A 54 -7.493 10.401 1.194 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.053 10.294 -0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.528 12.498 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.689 11.593 -1.550 1.00 0.00 H new ATOM 738 N GLY A 55 -7.640 8.322 -0.547 1.00 0.00 N ATOM 739 CA GLY A 55 -7.382 6.963 -1.033 1.00 0.00 C ATOM 740 C GLY A 55 -8.239 5.896 -0.352 1.00 0.00 C ATOM 741 O GLY A 55 -8.671 4.949 -1.008 1.00 0.00 O ATOM 0 H GLY A 55 -7.048 8.595 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.562 6.930 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.330 6.725 -0.879 1.00 0.00 H new ATOM 745 N ARG A 56 -8.552 6.076 0.944 1.00 0.00 N ATOM 746 CA ARG A 56 -9.510 5.256 1.718 1.00 0.00 C ATOM 747 C ARG A 56 -9.294 3.739 1.545 1.00 0.00 C ATOM 748 O ARG A 56 -10.244 2.990 1.308 1.00 0.00 O ATOM 749 CB ARG A 56 -10.944 5.725 1.385 1.00 0.00 C ATOM 750 CG ARG A 56 -11.205 7.185 1.810 1.00 0.00 C ATOM 751 CD ARG A 56 -12.505 7.743 1.216 1.00 0.00 C ATOM 752 NE ARG A 56 -12.349 8.056 -0.221 1.00 0.00 N ATOM 753 CZ ARG A 56 -12.306 9.257 -0.775 1.00 0.00 C ATOM 754 NH1 ARG A 56 -12.464 10.364 -0.115 1.00 0.00 N ATOM 755 NH2 ARG A 56 -12.004 9.401 -2.028 1.00 0.00 N ATOM 0 H ARG A 56 -8.133 6.820 1.502 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.334 5.414 2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.115 5.627 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.661 5.072 1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.252 7.241 2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.368 7.808 1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.308 7.018 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.797 8.643 1.757 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.266 7.260 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.633 10.339 0.891 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.419 11.259 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.796 8.582 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.975 10.333 -2.442 1.00 0.00 H new ATOM 766 N LEU A 57 -8.029 3.305 1.583 1.00 0.00 N ATOM 767 CA LEU A 57 -7.620 1.896 1.440 1.00 0.00 C ATOM 768 C LEU A 57 -8.250 1.006 2.523 1.00 0.00 C ATOM 769 O LEU A 57 -8.549 1.485 3.621 1.00 0.00 O ATOM 770 CB LEU A 57 -6.084 1.775 1.493 1.00 0.00 C ATOM 771 CG LEU A 57 -5.291 2.631 0.487 1.00 0.00 C ATOM 772 CD1 LEU A 57 -3.806 2.295 0.613 1.00 0.00 C ATOM 773 CD2 LEU A 57 -5.713 2.401 -0.964 1.00 0.00 C ATOM 0 H LEU A 57 -7.239 3.936 1.717 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.978 1.550 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.756 2.039 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.819 0.730 1.335 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.495 3.674 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.236 2.896 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.469 2.511 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.653 1.238 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.116 3.034 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.556 1.355 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.768 2.650 -1.080 1.00 0.00 H new ATOM 784 N ALA A 58 -8.428 -0.291 2.255 1.00 0.00 N ATOM 785 CA ALA A 58 -9.054 -1.189 3.217 1.00 0.00 C ATOM 786 C ALA A 58 -8.011 -1.903 4.092 1.00 0.00 C ATOM 787 O ALA A 58 -6.941 -2.315 3.646 1.00 0.00 O ATOM 788 CB ALA A 58 -9.973 -2.165 2.471 1.00 0.00 C ATOM 0 H ALA A 58 -8.147 -0.737 1.382 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.664 -0.608 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.444 -2.840 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.742 -1.606 1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.386 -2.744 1.758 1.00 0.00 H new ATOM 794 N ALA A 59 -8.360 -2.108 5.366 1.00 0.00 N ATOM 795 CA ALA A 59 -7.604 -2.987 6.251 1.00 0.00 C ATOM 796 C ALA A 59 -7.529 -4.401 5.637 1.00 0.00 C ATOM 797 O ALA A 59 -8.555 -4.970 5.238 1.00 0.00 O ATOM 798 CB ALA A 59 -8.265 -2.992 7.634 1.00 0.00 C ATOM 0 H ALA A 59 -9.169 -1.671 5.806 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.582 -2.627 6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.706 -3.647 8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.270 -1.980 8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.290 -3.353 7.546 1.00 0.00 H new ATOM 804 N GLY A 60 -6.313 -4.921 5.485 1.00 0.00 N ATOM 805 CA GLY A 60 -6.019 -6.281 5.017 1.00 0.00 C ATOM 806 C GLY A 60 -5.544 -6.406 3.563 1.00 0.00 C ATOM 807 O GLY A 60 -5.227 -7.514 3.131 1.00 0.00 O ATOM 0 H GLY A 60 -5.469 -4.388 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.255 -6.710 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.917 -6.887 5.138 1.00 0.00 H new ATOM 811 N ASP A 61 -5.503 -5.320 2.785 1.00 0.00 N ATOM 812 CA ASP A 61 -5.126 -5.366 1.363 1.00 0.00 C ATOM 813 C ASP A 61 -3.674 -5.862 1.172 1.00 0.00 C ATOM 814 O ASP A 61 -2.722 -5.196 1.579 1.00 0.00 O ATOM 815 CB ASP A 61 -5.370 -3.991 0.704 1.00 0.00 C ATOM 816 CG ASP A 61 -6.844 -3.569 0.697 1.00 0.00 C ATOM 817 OD1 ASP A 61 -7.695 -4.471 0.889 1.00 0.00 O ATOM 818 OD2 ASP A 61 -7.138 -2.371 0.480 1.00 0.00 O ATOM 0 H ASP A 61 -5.729 -4.384 3.120 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.762 -6.094 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.787 -3.236 1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.003 -4.019 -0.322 1.00 0.00 H new ATOM 822 N GLN A 62 -3.497 -7.055 0.590 1.00 0.00 N ATOM 823 CA GLN A 62 -2.204 -7.739 0.451 1.00 0.00 C ATOM 824 C GLN A 62 -1.342 -7.073 -0.625 1.00 0.00 C ATOM 825 O GLN A 62 -1.504 -7.345 -1.812 1.00 0.00 O ATOM 826 CB GLN A 62 -2.412 -9.237 0.192 1.00 0.00 C ATOM 827 CG GLN A 62 -1.082 -10.006 0.121 1.00 0.00 C ATOM 828 CD GLN A 62 -1.303 -11.495 -0.111 1.00 0.00 C ATOM 829 OE1 GLN A 62 -1.533 -12.277 0.804 1.00 0.00 O ATOM 830 NE2 GLN A 62 -1.285 -11.943 -1.347 1.00 0.00 N ATOM 0 H GLN A 62 -4.271 -7.586 0.191 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.657 -7.647 1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.031 -9.658 0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.957 -9.370 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.469 -9.599 -0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.528 -9.861 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.095 -11.303 -2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.461 -12.930 -1.534 1.00 0.00 H new ATOM 837 N LEU A 63 -0.481 -6.161 -0.190 1.00 0.00 N ATOM 838 CA LEU A 63 0.438 -5.381 -1.010 1.00 0.00 C ATOM 839 C LEU A 63 1.543 -6.275 -1.621 1.00 0.00 C ATOM 840 O LEU A 63 2.004 -7.234 -1.002 1.00 0.00 O ATOM 841 CB LEU A 63 0.894 -4.206 -0.114 1.00 0.00 C ATOM 842 CG LEU A 63 1.543 -2.976 -0.781 1.00 0.00 C ATOM 843 CD1 LEU A 63 1.486 -1.826 0.227 1.00 0.00 C ATOM 844 CD2 LEU A 63 3.016 -3.158 -1.139 1.00 0.00 C ATOM 0 H LEU A 63 -0.401 -5.933 0.801 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.016 -4.958 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.025 -3.859 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.603 -4.601 0.613 1.00 0.00 H new ATOM 0 HG LEU A 63 0.996 -2.798 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.937 -0.936 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.447 -1.618 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.033 -2.104 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.393 -2.247 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.587 -3.368 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.121 -3.990 -1.835 1.00 0.00 H new ATOM 855 N LEU A 64 1.953 -5.973 -2.855 1.00 0.00 N ATOM 856 CA LEU A 64 2.884 -6.764 -3.674 1.00 0.00 C ATOM 857 C LEU A 64 3.979 -5.910 -4.332 1.00 0.00 C ATOM 858 O LEU A 64 5.128 -6.344 -4.361 1.00 0.00 O ATOM 859 CB LEU A 64 2.093 -7.510 -4.769 1.00 0.00 C ATOM 860 CG LEU A 64 1.080 -8.553 -4.264 1.00 0.00 C ATOM 861 CD1 LEU A 64 0.306 -9.127 -5.453 1.00 0.00 C ATOM 862 CD2 LEU A 64 1.751 -9.720 -3.529 1.00 0.00 C ATOM 0 H LEU A 64 1.632 -5.132 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 64 3.382 -7.466 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.560 -6.775 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.803 -8.009 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 64 0.420 -8.040 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.412 -9.866 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.224 -8.323 -5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.002 -9.601 -6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.990 -10.425 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.443 -10.225 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.298 -9.340 -2.666 1.00 0.00 H new ATOM 873 N SER A 65 3.666 -4.690 -4.778 1.00 0.00 N ATOM 874 CA SER A 65 4.619 -3.750 -5.401 1.00 0.00 C ATOM 875 C SER A 65 4.434 -2.320 -4.889 1.00 0.00 C ATOM 876 O SER A 65 3.435 -1.998 -4.242 1.00 0.00 O ATOM 877 CB SER A 65 4.535 -3.742 -6.933 1.00 0.00 C ATOM 878 OG SER A 65 4.854 -5.000 -7.484 1.00 0.00 O ATOM 0 H SER A 65 2.720 -4.313 -4.717 1.00 0.00 H new ATOM 0 HA SER A 65 5.605 -4.114 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.529 -3.456 -7.240 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.216 -2.989 -7.330 1.00 0.00 H new ATOM 0 HG SER A 65 4.030 -5.460 -7.748 1.00 0.00 H new ATOM 883 N VAL A 66 5.416 -1.460 -5.168 1.00 0.00 N ATOM 884 CA VAL A 66 5.619 -0.159 -4.516 1.00 0.00 C ATOM 885 C VAL A 66 6.073 0.896 -5.522 1.00 0.00 C ATOM 886 O VAL A 66 6.602 0.561 -6.583 1.00 0.00 O ATOM 887 CB VAL A 66 6.655 -0.363 -3.386 1.00 0.00 C ATOM 888 CG1 VAL A 66 7.559 0.831 -3.062 1.00 0.00 C ATOM 889 CG2 VAL A 66 5.903 -0.804 -2.123 1.00 0.00 C ATOM 0 H VAL A 66 6.119 -1.655 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 66 4.683 0.209 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 66 7.347 -1.120 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.240 0.563 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.134 1.102 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.946 1.678 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.614 -0.955 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.185 -0.034 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.375 -1.737 -2.321 1.00 0.00 H new ATOM 899 N ASP A 67 5.875 2.175 -5.196 1.00 0.00 N ATOM 900 CA ASP A 67 6.258 3.284 -6.069 1.00 0.00 C ATOM 901 C ASP A 67 7.719 3.191 -6.528 1.00 0.00 C ATOM 902 O ASP A 67 8.627 2.866 -5.756 1.00 0.00 O ATOM 903 CB ASP A 67 5.940 4.647 -5.449 1.00 0.00 C ATOM 904 CG ASP A 67 5.872 5.668 -6.581 1.00 0.00 C ATOM 905 OD1 ASP A 67 4.760 5.780 -7.149 1.00 0.00 O ATOM 906 OD2 ASP A 67 6.936 6.194 -6.971 1.00 0.00 O ATOM 0 H ASP A 67 5.445 2.470 -4.319 1.00 0.00 H new ATOM 0 HA ASP A 67 5.643 3.193 -6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.993 4.610 -4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.707 4.927 -4.727 1.00 0.00 H new ATOM 910 N GLY A 68 7.923 3.370 -7.833 1.00 0.00 N ATOM 911 CA GLY A 68 9.206 3.188 -8.512 1.00 0.00 C ATOM 912 C GLY A 68 9.815 1.774 -8.462 1.00 0.00 C ATOM 913 O GLY A 68 10.870 1.564 -9.063 1.00 0.00 O ATOM 0 H GLY A 68 7.176 3.655 -8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.082 3.469 -9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.924 3.884 -8.078 1.00 0.00 H new ATOM 917 N ARG A 69 9.204 0.798 -7.772 1.00 0.00 N ATOM 918 CA ARG A 69 9.760 -0.543 -7.522 1.00 0.00 C ATOM 919 C ARG A 69 8.684 -1.639 -7.596 1.00 0.00 C ATOM 920 O ARG A 69 8.028 -1.978 -6.613 1.00 0.00 O ATOM 921 CB ARG A 69 10.488 -0.572 -6.164 1.00 0.00 C ATOM 922 CG ARG A 69 11.678 0.399 -6.043 1.00 0.00 C ATOM 923 CD ARG A 69 12.433 0.161 -4.727 1.00 0.00 C ATOM 924 NE ARG A 69 13.540 1.118 -4.542 1.00 0.00 N ATOM 925 CZ ARG A 69 14.037 1.510 -3.384 1.00 0.00 C ATOM 926 NH1 ARG A 69 13.608 0.943 -2.111 1.00 0.00 N ATOM 927 NH2 ARG A 69 14.882 2.484 -3.325 1.00 0.00 N ATOM 0 H ARG A 69 8.280 0.924 -7.359 1.00 0.00 H new ATOM 0 HA ARG A 69 10.480 -0.756 -8.312 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.769 -0.341 -5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.845 -1.586 -5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.354 0.262 -6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.321 1.428 -6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.739 0.244 -3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.827 -0.855 -4.714 1.00 0.00 H new ATOM 0 HE ARG A 69 13.959 1.512 -5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.896 0.213 -2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.020 1.277 -1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.172 2.960 -4.179 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.259 2.778 -2.424 1.00 0.00 H new ATOM 938 N SER A 70 8.549 -2.248 -8.773 1.00 0.00 N ATOM 939 CA SER A 70 7.763 -3.458 -9.075 1.00 0.00 C ATOM 940 C SER A 70 8.240 -4.730 -8.335 1.00 0.00 C ATOM 941 O SER A 70 8.750 -5.665 -8.946 1.00 0.00 O ATOM 942 CB SER A 70 7.736 -3.657 -10.605 1.00 0.00 C ATOM 943 OG SER A 70 8.992 -3.347 -11.205 1.00 0.00 O ATOM 0 H SER A 70 9.017 -1.888 -9.605 1.00 0.00 H new ATOM 0 HA SER A 70 6.753 -3.298 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.471 -4.690 -10.832 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.961 -3.026 -11.039 1.00 0.00 H new ATOM 0 HG SER A 70 9.687 -3.923 -10.825 1.00 0.00 H new ATOM 948 N LEU A 71 8.128 -4.763 -6.999 1.00 0.00 N ATOM 949 CA LEU A 71 8.624 -5.869 -6.153 1.00 0.00 C ATOM 950 C LEU A 71 7.962 -7.231 -6.431 1.00 0.00 C ATOM 951 O LEU A 71 8.562 -8.255 -6.111 1.00 0.00 O ATOM 952 CB LEU A 71 8.433 -5.597 -4.644 1.00 0.00 C ATOM 953 CG LEU A 71 8.378 -4.154 -4.127 1.00 0.00 C ATOM 954 CD1 LEU A 71 7.808 -4.150 -2.712 1.00 0.00 C ATOM 955 CD2 LEU A 71 9.761 -3.512 -4.133 1.00 0.00 C ATOM 0 H LEU A 71 7.686 -4.015 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 71 9.680 -5.916 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.507 -6.086 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.245 -6.099 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 71 7.736 -3.571 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.767 -3.127 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.803 -4.573 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.446 -4.748 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.689 -2.490 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.431 -4.085 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.153 -3.502 -5.150 1.00 0.00 H new ATOM 966 N VAL A 72 6.711 -7.226 -6.912 1.00 0.00 N ATOM 967 CA VAL A 72 5.735 -8.336 -7.047 1.00 0.00 C ATOM 968 C VAL A 72 5.541 -9.294 -5.850 1.00 0.00 C ATOM 969 O VAL A 72 4.681 -10.172 -5.916 1.00 0.00 O ATOM 970 CB VAL A 72 5.883 -9.091 -8.385 1.00 0.00 C ATOM 971 CG1 VAL A 72 5.741 -8.139 -9.581 1.00 0.00 C ATOM 972 CG2 VAL A 72 7.202 -9.860 -8.524 1.00 0.00 C ATOM 0 H VAL A 72 6.307 -6.354 -7.255 1.00 0.00 H new ATOM 0 HA VAL A 72 4.790 -7.793 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 72 5.075 -9.822 -8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.850 -8.701 -10.508 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.759 -7.667 -9.556 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.513 -7.372 -9.529 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.230 -10.363 -9.490 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.038 -9.164 -8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.277 -10.600 -7.727 1.00 0.00 H new ATOM 982 N GLY A 73 6.272 -9.137 -4.740 1.00 0.00 N ATOM 983 CA GLY A 73 6.062 -9.901 -3.503 1.00 0.00 C ATOM 984 C GLY A 73 7.235 -9.909 -2.507 1.00 0.00 C ATOM 985 O GLY A 73 7.483 -10.952 -1.901 1.00 0.00 O ATOM 0 H GLY A 73 7.037 -8.466 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.184 -9.500 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.832 -10.932 -3.771 1.00 0.00 H new ATOM 989 N LEU A 74 7.962 -8.796 -2.319 1.00 0.00 N ATOM 990 CA LEU A 74 9.197 -8.754 -1.506 1.00 0.00 C ATOM 991 C LEU A 74 9.161 -7.681 -0.397 1.00 0.00 C ATOM 992 O LEU A 74 8.500 -6.659 -0.523 1.00 0.00 O ATOM 993 CB LEU A 74 10.422 -8.567 -2.420 1.00 0.00 C ATOM 994 CG LEU A 74 10.635 -9.676 -3.471 1.00 0.00 C ATOM 995 CD1 LEU A 74 11.785 -9.280 -4.401 1.00 0.00 C ATOM 996 CD2 LEU A 74 10.989 -11.019 -2.829 1.00 0.00 C ATOM 0 H LEU A 74 7.712 -7.895 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 74 9.273 -9.711 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.326 -7.612 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.314 -8.504 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 74 9.699 -9.787 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.937 -10.062 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.541 -8.344 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.697 -9.151 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.130 -11.769 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.909 -10.916 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.181 -11.330 -2.167 1.00 0.00 H new ATOM 1007 N SER A 75 9.859 -7.939 0.710 1.00 0.00 N ATOM 1008 CA SER A 75 9.657 -7.276 2.008 1.00 0.00 C ATOM 1009 C SER A 75 10.012 -5.778 2.073 1.00 0.00 C ATOM 1010 O SER A 75 10.846 -5.263 1.323 1.00 0.00 O ATOM 1011 CB SER A 75 10.427 -8.052 3.081 1.00 0.00 C ATOM 1012 OG SER A 75 10.204 -9.445 2.917 1.00 0.00 O ATOM 0 H SER A 75 10.604 -8.635 0.733 1.00 0.00 H new ATOM 0 HA SER A 75 8.581 -7.295 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.492 -7.833 3.007 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.105 -7.737 4.073 1.00 0.00 H new ATOM 0 HG SER A 75 9.578 -9.759 3.602 1.00 0.00 H new ATOM 1017 N GLN A 76 9.389 -5.072 3.027 1.00 0.00 N ATOM 1018 CA GLN A 76 9.391 -3.604 3.131 1.00 0.00 C ATOM 1019 C GLN A 76 10.772 -2.941 3.229 1.00 0.00 C ATOM 1020 O GLN A 76 10.927 -1.801 2.793 1.00 0.00 O ATOM 1021 CB GLN A 76 8.457 -3.130 4.263 1.00 0.00 C ATOM 1022 CG GLN A 76 8.835 -3.561 5.692 1.00 0.00 C ATOM 1023 CD GLN A 76 10.002 -2.792 6.298 1.00 0.00 C ATOM 1024 OE1 GLN A 76 10.039 -1.573 6.322 1.00 0.00 O ATOM 1025 NE2 GLN A 76 11.017 -3.472 6.775 1.00 0.00 N ATOM 0 H GLN A 76 8.853 -5.519 3.771 1.00 0.00 H new ATOM 0 HA GLN A 76 9.004 -3.263 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.413 -2.041 4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.452 -3.495 4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.964 -3.441 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.081 -4.623 5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.999 -4.492 6.761 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.824 -2.981 7.160 1.00 0.00 H new ATOM 1032 N GLU A 77 11.787 -3.629 3.746 1.00 0.00 N ATOM 1033 CA GLU A 77 13.150 -3.108 3.920 1.00 0.00 C ATOM 1034 C GLU A 77 13.835 -2.656 2.619 1.00 0.00 C ATOM 1035 O GLU A 77 14.824 -1.932 2.679 1.00 0.00 O ATOM 1036 CB GLU A 77 14.041 -4.088 4.721 1.00 0.00 C ATOM 1037 CG GLU A 77 13.739 -5.592 4.610 1.00 0.00 C ATOM 1038 CD GLU A 77 12.667 -6.019 5.625 1.00 0.00 C ATOM 1039 OE1 GLU A 77 13.011 -6.365 6.780 1.00 0.00 O ATOM 1040 OE2 GLU A 77 11.461 -5.913 5.315 1.00 0.00 O ATOM 0 H GLU A 77 11.686 -4.592 4.066 1.00 0.00 H new ATOM 0 HA GLU A 77 13.027 -2.197 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.074 -3.931 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.979 -3.812 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.401 -5.824 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.652 -6.163 4.779 1.00 0.00 H new ATOM 1045 N ARG A 78 13.295 -3.019 1.448 1.00 0.00 N ATOM 1046 CA ARG A 78 13.784 -2.546 0.137 1.00 0.00 C ATOM 1047 C ARG A 78 12.686 -1.835 -0.662 1.00 0.00 C ATOM 1048 O ARG A 78 12.795 -1.682 -1.876 1.00 0.00 O ATOM 1049 CB ARG A 78 14.531 -3.688 -0.582 1.00 0.00 C ATOM 1050 CG ARG A 78 15.694 -4.166 0.312 1.00 0.00 C ATOM 1051 CD ARG A 78 16.632 -5.194 -0.322 1.00 0.00 C ATOM 1052 NE ARG A 78 17.589 -5.685 0.695 1.00 0.00 N ATOM 1053 CZ ARG A 78 17.379 -6.628 1.597 1.00 0.00 C ATOM 1054 NH1 ARG A 78 16.301 -7.359 1.625 1.00 0.00 N ATOM 1055 NH2 ARG A 78 18.260 -6.843 2.522 1.00 0.00 N ATOM 0 H ARG A 78 12.500 -3.654 1.379 1.00 0.00 H new ATOM 0 HA ARG A 78 14.527 -1.759 0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.849 -4.514 -0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.912 -3.343 -1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 78 16.282 -3.297 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.276 -4.594 1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 78 16.056 -6.026 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 78 17.171 -4.744 -1.156 1.00 0.00 H new ATOM 0 HE ARG A 78 18.511 -5.248 0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.570 -7.216 0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.188 -8.074 2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 78 19.113 -6.285 2.553 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.100 -7.570 3.219 1.00 0.00 H new ATOM 1066 N ALA A 79 11.657 -1.338 0.031 1.00 0.00 N ATOM 1067 CA ALA A 79 10.464 -0.741 -0.571 1.00 0.00 C ATOM 1068 C ALA A 79 9.840 0.422 0.231 1.00 0.00 C ATOM 1069 O ALA A 79 9.625 1.497 -0.327 1.00 0.00 O ATOM 1070 CB ALA A 79 9.453 -1.875 -0.744 1.00 0.00 C ATOM 0 H ALA A 79 11.631 -1.340 1.051 1.00 0.00 H new ATOM 0 HA ALA A 79 10.753 -0.282 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.540 -1.483 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.875 -2.643 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.223 -2.309 0.229 1.00 0.00 H new ATOM 1076 N ALA A 80 9.573 0.270 1.530 1.00 0.00 N ATOM 1077 CA ALA A 80 9.096 1.372 2.376 1.00 0.00 C ATOM 1078 C ALA A 80 10.101 2.538 2.473 1.00 0.00 C ATOM 1079 O ALA A 80 9.708 3.699 2.600 1.00 0.00 O ATOM 1080 CB ALA A 80 8.745 0.825 3.759 1.00 0.00 C ATOM 0 H ALA A 80 9.680 -0.615 2.025 1.00 0.00 H new ATOM 0 HA ALA A 80 8.205 1.792 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.390 1.638 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.964 0.071 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.631 0.375 4.208 1.00 0.00 H new ATOM 1086 N GLU A 81 11.391 2.236 2.329 1.00 0.00 N ATOM 1087 CA GLU A 81 12.484 3.185 2.120 1.00 0.00 C ATOM 1088 C GLU A 81 12.268 4.129 0.915 1.00 0.00 C ATOM 1089 O GLU A 81 12.618 5.308 0.994 1.00 0.00 O ATOM 1090 CB GLU A 81 13.753 2.320 2.021 1.00 0.00 C ATOM 1091 CG GLU A 81 15.069 3.089 1.801 1.00 0.00 C ATOM 1092 CD GLU A 81 15.427 3.418 0.350 1.00 0.00 C ATOM 1093 OE1 GLU A 81 14.957 2.750 -0.582 1.00 0.00 O ATOM 1094 OE2 GLU A 81 16.188 4.399 0.161 1.00 0.00 O ATOM 0 H GLU A 81 11.719 1.271 2.357 1.00 0.00 H new ATOM 0 HA GLU A 81 12.558 3.892 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.844 1.735 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.625 1.613 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 81 15.017 4.023 2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 81 15.883 2.505 2.230 1.00 0.00 H new ATOM 1099 N LEU A 82 11.629 3.649 -0.162 1.00 0.00 N ATOM 1100 CA LEU A 82 11.179 4.480 -1.293 1.00 0.00 C ATOM 1101 C LEU A 82 9.849 5.162 -0.939 1.00 0.00 C ATOM 1102 O LEU A 82 9.794 6.393 -0.921 1.00 0.00 O ATOM 1103 CB LEU A 82 11.058 3.632 -2.582 1.00 0.00 C ATOM 1104 CG LEU A 82 11.010 4.389 -3.930 1.00 0.00 C ATOM 1105 CD1 LEU A 82 9.789 5.299 -4.077 1.00 0.00 C ATOM 1106 CD2 LEU A 82 12.267 5.232 -4.164 1.00 0.00 C ATOM 0 H LEU A 82 11.406 2.660 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 82 11.921 5.255 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.902 2.943 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.155 3.027 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 82 10.945 3.600 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.821 5.798 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.880 4.702 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.795 6.047 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.188 5.745 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.366 5.968 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.144 4.584 -4.170 1.00 0.00 H new ATOM 1117 N MET A 83 8.814 4.393 -0.551 1.00 0.00 N ATOM 1118 CA MET A 83 7.467 4.926 -0.252 1.00 0.00 C ATOM 1119 C MET A 83 7.448 6.094 0.735 1.00 0.00 C ATOM 1120 O MET A 83 6.601 6.982 0.640 1.00 0.00 O ATOM 1121 CB MET A 83 6.547 3.880 0.381 1.00 0.00 C ATOM 1122 CG MET A 83 6.229 2.683 -0.496 1.00 0.00 C ATOM 1123 SD MET A 83 4.837 1.713 0.116 1.00 0.00 S ATOM 1124 CE MET A 83 5.427 1.148 1.727 1.00 0.00 C ATOM 0 H MET A 83 8.886 3.382 -0.435 1.00 0.00 H new ATOM 0 HA MET A 83 7.126 5.248 -1.236 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.009 3.523 1.302 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.611 4.364 0.660 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.009 3.028 -1.506 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.109 2.044 -0.562 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.688 0.482 2.172 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.369 0.613 1.603 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.581 2.007 2.380 1.00 0.00 H new ATOM 1132 N THR A 84 8.343 6.096 1.718 1.00 0.00 N ATOM 1133 CA THR A 84 8.412 7.165 2.725 1.00 0.00 C ATOM 1134 C THR A 84 8.781 8.516 2.101 1.00 0.00 C ATOM 1135 O THR A 84 8.313 9.548 2.577 1.00 0.00 O ATOM 1136 CB THR A 84 9.403 6.787 3.840 1.00 0.00 C ATOM 1137 OG1 THR A 84 9.007 5.561 4.412 1.00 0.00 O ATOM 1138 CG2 THR A 84 9.446 7.794 4.988 1.00 0.00 C ATOM 0 H THR A 84 9.041 5.363 1.844 1.00 0.00 H new ATOM 0 HA THR A 84 7.419 7.274 3.161 1.00 0.00 H new ATOM 0 HB THR A 84 10.384 6.749 3.367 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.330 4.821 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.166 7.462 5.736 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.745 8.770 4.605 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.458 7.869 5.443 1.00 0.00 H new ATOM 1146 N ARG A 85 9.589 8.542 1.029 1.00 0.00 N ATOM 1147 CA ARG A 85 10.032 9.795 0.375 1.00 0.00 C ATOM 1148 C ARG A 85 9.034 10.373 -0.636 1.00 0.00 C ATOM 1149 O ARG A 85 9.213 11.513 -1.063 1.00 0.00 O ATOM 1150 CB ARG A 85 11.397 9.601 -0.304 1.00 0.00 C ATOM 1151 CG ARG A 85 12.503 9.157 0.664 1.00 0.00 C ATOM 1152 CD ARG A 85 13.880 9.392 0.022 1.00 0.00 C ATOM 1153 NE ARG A 85 14.964 8.685 0.730 1.00 0.00 N ATOM 1154 CZ ARG A 85 15.389 7.471 0.443 1.00 0.00 C ATOM 1155 NH1 ARG A 85 14.775 6.677 -0.379 1.00 0.00 N ATOM 1156 NH2 ARG A 85 16.457 6.998 1.003 1.00 0.00 N ATOM 0 H ARG A 85 9.956 7.699 0.588 1.00 0.00 H new ATOM 0 HA ARG A 85 10.107 10.524 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.298 8.859 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.694 10.536 -0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.427 9.714 1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.382 8.102 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.854 9.062 -1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.094 10.461 0.012 1.00 0.00 H new ATOM 0 HE ARG A 85 15.420 9.173 1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.918 6.983 -0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.149 5.746 -0.565 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.976 7.566 1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.779 6.057 0.775 1.00 0.00 H new ATOM 1167 N THR A 86 7.987 9.616 -0.980 1.00 0.00 N ATOM 1168 CA THR A 86 6.980 9.874 -2.033 1.00 0.00 C ATOM 1169 C THR A 86 6.660 11.339 -2.336 1.00 0.00 C ATOM 1170 O THR A 86 6.698 11.740 -3.492 1.00 0.00 O ATOM 1171 CB THR A 86 5.693 9.149 -1.636 1.00 0.00 C ATOM 1172 OG1 THR A 86 5.926 7.775 -1.766 1.00 0.00 O ATOM 1173 CG2 THR A 86 4.473 9.495 -2.474 1.00 0.00 C ATOM 0 H THR A 86 7.801 8.737 -0.496 1.00 0.00 H new ATOM 0 HA THR A 86 7.423 9.504 -2.958 1.00 0.00 H new ATOM 0 HB THR A 86 5.462 9.464 -0.619 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.872 7.349 -0.885 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.613 8.930 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.266 10.562 -2.393 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.664 9.241 -3.517 1.00 0.00 H new ATOM 1181 N SER A 87 6.342 12.141 -1.316 1.00 0.00 N ATOM 1182 CA SER A 87 6.001 13.578 -1.399 1.00 0.00 C ATOM 1183 C SER A 87 4.800 13.992 -2.278 1.00 0.00 C ATOM 1184 O SER A 87 4.277 15.082 -2.057 1.00 0.00 O ATOM 1185 CB SER A 87 7.249 14.395 -1.761 1.00 0.00 C ATOM 1186 OG SER A 87 8.302 14.109 -0.854 1.00 0.00 O ATOM 0 H SER A 87 6.312 11.795 -0.357 1.00 0.00 H new ATOM 0 HA SER A 87 5.644 13.808 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.562 14.162 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.016 15.459 -1.735 1.00 0.00 H new ATOM 0 HG SER A 87 8.694 13.238 -1.072 1.00 0.00 H new ATOM 1191 N SER A 88 4.302 13.162 -3.212 1.00 0.00 N ATOM 1192 CA SER A 88 3.238 13.557 -4.158 1.00 0.00 C ATOM 1193 C SER A 88 2.205 12.473 -4.512 1.00 0.00 C ATOM 1194 O SER A 88 1.010 12.779 -4.534 1.00 0.00 O ATOM 1195 CB SER A 88 3.869 14.115 -5.436 1.00 0.00 C ATOM 1196 OG SER A 88 4.684 13.144 -6.056 1.00 0.00 O ATOM 0 H SER A 88 4.623 12.202 -3.334 1.00 0.00 H new ATOM 0 HA SER A 88 2.662 14.315 -3.628 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.086 14.433 -6.125 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.463 14.998 -5.199 1.00 0.00 H new ATOM 0 HG SER A 88 5.077 13.519 -6.872 1.00 0.00 H new ATOM 1201 N VAL A 89 2.603 11.214 -4.719 1.00 0.00 N ATOM 1202 CA VAL A 89 1.690 10.080 -4.988 1.00 0.00 C ATOM 1203 C VAL A 89 2.417 8.746 -4.820 1.00 0.00 C ATOM 1204 O VAL A 89 3.465 8.555 -5.422 1.00 0.00 O ATOM 1205 CB VAL A 89 1.076 10.204 -6.409 1.00 0.00 C ATOM 1206 CG1 VAL A 89 2.079 10.415 -7.553 1.00 0.00 C ATOM 1207 CG2 VAL A 89 0.197 9.002 -6.760 1.00 0.00 C ATOM 0 H VAL A 89 3.586 10.941 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 89 0.878 10.111 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 89 0.483 11.115 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.542 10.488 -8.499 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.638 11.335 -7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.769 9.572 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.212 9.131 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.795 8.092 -6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.620 8.926 -6.042 1.00 0.00 H new ATOM 1217 N VAL A 90 1.880 7.816 -4.022 1.00 0.00 N ATOM 1218 CA VAL A 90 2.338 6.411 -4.059 1.00 0.00 C ATOM 1219 C VAL A 90 1.546 5.673 -5.132 1.00 0.00 C ATOM 1220 O VAL A 90 0.325 5.554 -5.033 1.00 0.00 O ATOM 1221 CB VAL A 90 2.191 5.643 -2.722 1.00 0.00 C ATOM 1222 CG1 VAL A 90 3.481 5.631 -1.903 1.00 0.00 C ATOM 1223 CG2 VAL A 90 1.054 6.150 -1.828 1.00 0.00 C ATOM 0 H VAL A 90 1.137 8.001 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 90 3.406 6.445 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 90 1.947 4.629 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.319 5.079 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.273 5.151 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.773 6.655 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.020 5.559 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.227 7.197 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.106 6.055 -2.357 1.00 0.00 H new ATOM 1233 N THR A 91 2.205 5.159 -6.163 1.00 0.00 N ATOM 1234 CA THR A 91 1.729 3.935 -6.823 1.00 0.00 C ATOM 1235 C THR A 91 2.045 2.734 -5.930 1.00 0.00 C ATOM 1236 O THR A 91 3.041 2.708 -5.205 1.00 0.00 O ATOM 1237 CB THR A 91 2.284 3.745 -8.248 1.00 0.00 C ATOM 1238 OG1 THR A 91 3.685 3.707 -8.296 1.00 0.00 O ATOM 1239 CG2 THR A 91 1.850 4.872 -9.187 1.00 0.00 C ATOM 0 H THR A 91 3.056 5.557 -6.560 1.00 0.00 H new ATOM 0 HA THR A 91 0.651 4.027 -6.954 1.00 0.00 H new ATOM 0 HB THR A 91 1.875 2.786 -8.567 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.042 4.609 -8.159 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.264 4.698 -10.180 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.762 4.897 -9.246 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.215 5.825 -8.804 1.00 0.00 H new ATOM 1247 N LEU A 92 1.141 1.762 -5.932 1.00 0.00 N ATOM 1248 CA LEU A 92 1.160 0.526 -5.153 1.00 0.00 C ATOM 1249 C LEU A 92 0.538 -0.595 -5.999 1.00 0.00 C ATOM 1250 O LEU A 92 -0.129 -0.347 -7.001 1.00 0.00 O ATOM 1251 CB LEU A 92 0.326 0.684 -3.858 1.00 0.00 C ATOM 1252 CG LEU A 92 0.741 1.804 -2.890 1.00 0.00 C ATOM 1253 CD1 LEU A 92 -0.274 1.890 -1.750 1.00 0.00 C ATOM 1254 CD2 LEU A 92 2.118 1.569 -2.263 1.00 0.00 C ATOM 0 H LEU A 92 0.312 1.820 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 92 2.190 0.291 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.713 0.851 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.360 -0.261 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 92 0.779 2.723 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.018 2.683 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.261 2.108 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.303 0.940 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.356 2.392 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.108 0.634 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.871 1.514 -3.049 1.00 0.00 H new ATOM 1265 N GLU A 93 0.668 -1.835 -5.546 1.00 0.00 N ATOM 1266 CA GLU A 93 -0.057 -2.997 -6.081 1.00 0.00 C ATOM 1267 C GLU A 93 -0.545 -3.836 -4.904 1.00 0.00 C ATOM 1268 O GLU A 93 0.245 -4.114 -4.001 1.00 0.00 O ATOM 1269 CB GLU A 93 0.896 -3.785 -6.996 1.00 0.00 C ATOM 1270 CG GLU A 93 0.332 -5.020 -7.718 1.00 0.00 C ATOM 1271 CD GLU A 93 1.421 -5.732 -8.547 1.00 0.00 C ATOM 1272 OE1 GLU A 93 2.522 -5.987 -7.996 1.00 0.00 O ATOM 1273 OE2 GLU A 93 1.170 -6.019 -9.741 1.00 0.00 O ATOM 0 H GLU A 93 1.294 -2.074 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.923 -2.700 -6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.279 -3.100 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.748 -4.106 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.082 -5.714 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.487 -4.719 -8.372 1.00 0.00 H new ATOM 1278 N VAL A 94 -1.831 -4.195 -4.874 1.00 0.00 N ATOM 1279 CA VAL A 94 -2.471 -4.859 -3.726 1.00 0.00 C ATOM 1280 C VAL A 94 -3.503 -5.915 -4.145 1.00 0.00 C ATOM 1281 O VAL A 94 -3.984 -5.929 -5.274 1.00 0.00 O ATOM 1282 CB VAL A 94 -3.135 -3.844 -2.760 1.00 0.00 C ATOM 1283 CG1 VAL A 94 -2.204 -2.742 -2.239 1.00 0.00 C ATOM 1284 CG2 VAL A 94 -4.358 -3.154 -3.374 1.00 0.00 C ATOM 0 H VAL A 94 -2.468 -4.033 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.661 -5.367 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.426 -4.475 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.759 -2.082 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.374 -3.194 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.816 -2.166 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.782 -2.455 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.058 -2.613 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.105 -3.903 -3.635 1.00 0.00 H new ATOM 1294 N ALA A 95 -3.903 -6.771 -3.200 1.00 0.00 N ATOM 1295 CA ALA A 95 -4.953 -7.773 -3.364 1.00 0.00 C ATOM 1296 C ALA A 95 -5.878 -7.847 -2.136 1.00 0.00 C ATOM 1297 O ALA A 95 -5.458 -8.255 -1.050 1.00 0.00 O ATOM 1298 CB ALA A 95 -4.290 -9.118 -3.674 1.00 0.00 C ATOM 0 H ALA A 95 -3.488 -6.783 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.600 -7.491 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.058 -9.881 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.708 -9.034 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.632 -9.398 -2.851 1.00 0.00 H new ATOM 1304 N LYS A 96 -7.144 -7.429 -2.298 1.00 0.00 N ATOM 1305 CA LYS A 96 -8.136 -7.359 -1.205 1.00 0.00 C ATOM 1306 C LYS A 96 -8.333 -8.711 -0.502 1.00 0.00 C ATOM 1307 O LYS A 96 -8.967 -9.626 -1.034 1.00 0.00 O ATOM 1308 CB LYS A 96 -9.474 -6.754 -1.700 1.00 0.00 C ATOM 1309 CG LYS A 96 -10.243 -5.906 -0.660 1.00 0.00 C ATOM 1310 CD LYS A 96 -10.757 -6.625 0.607 1.00 0.00 C ATOM 1311 CE LYS A 96 -10.801 -5.721 1.854 1.00 0.00 C ATOM 1312 NZ LYS A 96 -9.481 -5.630 2.530 1.00 0.00 N ATOM 0 H LYS A 96 -7.514 -7.127 -3.199 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.734 -6.685 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.272 -6.133 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.121 -7.567 -2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.592 -5.091 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.099 -5.454 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.757 -7.013 0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.117 -7.483 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.129 -4.722 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.540 -6.108 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.584 -5.111 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.124 -6.587 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.810 -5.128 1.914 1.00 0.00 H new ATOM 1322 N GLN A 97 -7.857 -8.794 0.736 1.00 0.00 N ATOM 1323 CA GLN A 97 -8.178 -9.857 1.703 1.00 0.00 C ATOM 1324 C GLN A 97 -8.567 -9.233 3.049 1.00 0.00 C ATOM 1325 O GLN A 97 -8.284 -8.059 3.277 1.00 0.00 O ATOM 1326 CB GLN A 97 -6.998 -10.831 1.843 1.00 0.00 C ATOM 1327 CG GLN A 97 -6.746 -11.670 0.586 1.00 0.00 C ATOM 1328 CD GLN A 97 -5.544 -12.588 0.745 1.00 0.00 C ATOM 1329 OE1 GLN A 97 -5.638 -13.807 0.774 1.00 0.00 O ATOM 1330 NE2 GLN A 97 -4.369 -12.014 0.855 1.00 0.00 N ATOM 0 H GLN A 97 -7.212 -8.100 1.115 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.030 -10.432 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.097 -10.266 2.080 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.186 -11.498 2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.631 -12.267 0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.587 -11.008 -0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.294 -10.997 0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.531 -12.585 0.965 1.00 0.00 H new ATOM 1337 N GLY A 98 -9.224 -9.996 3.924 1.00 0.00 N ATOM 1338 CA GLY A 98 -9.737 -9.479 5.200 1.00 0.00 C ATOM 1339 C GLY A 98 -10.697 -8.285 5.081 1.00 0.00 C ATOM 1340 O GLY A 98 -11.145 -7.913 3.994 1.00 0.00 O ATOM 0 H GLY A 98 -9.416 -10.986 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.250 -10.287 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.891 -9.185 5.821 1.00 0.00 H new ATOM 1344 N ALA A 99 -11.008 -7.678 6.220 1.00 0.00 N ATOM 1345 CA ALA A 99 -11.860 -6.497 6.346 1.00 0.00 C ATOM 1346 C ALA A 99 -11.448 -5.676 7.584 1.00 0.00 C ATOM 1347 O ALA A 99 -10.505 -6.046 8.286 1.00 0.00 O ATOM 1348 CB ALA A 99 -13.327 -6.965 6.434 1.00 0.00 C ATOM 0 H ALA A 99 -10.660 -8.008 7.120 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.747 -5.848 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.981 -6.098 6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.587 -7.519 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.452 -7.610 7.304 1.00 0.00 H new ATOM 1354 N ILE A 100 -12.171 -4.585 7.873 1.00 0.00 N ATOM 1355 CA ILE A 100 -12.101 -3.909 9.182 1.00 0.00 C ATOM 1356 C ILE A 100 -12.554 -4.900 10.273 1.00 0.00 C ATOM 1357 O ILE A 100 -11.783 -5.210 11.177 1.00 0.00 O ATOM 1358 CB ILE A 100 -12.956 -2.613 9.185 1.00 0.00 C ATOM 1359 CG1 ILE A 100 -12.506 -1.645 8.063 1.00 0.00 C ATOM 1360 CG2 ILE A 100 -12.880 -1.922 10.562 1.00 0.00 C ATOM 1361 CD1 ILE A 100 -13.380 -0.391 7.916 1.00 0.00 C ATOM 0 H ILE A 100 -12.816 -4.147 7.215 1.00 0.00 H new ATOM 0 HA ILE A 100 -11.075 -3.603 9.387 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.992 -2.890 8.992 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.479 -1.336 8.257 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.503 -2.184 7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -13.485 -1.015 10.548 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.257 -2.598 11.330 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.844 -1.664 10.783 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.993 0.230 7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.404 -0.686 7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.364 0.175 8.848 1.00 0.00 H new ATOM 1372 N TYR A 101 -13.754 -5.464 10.085 1.00 0.00 N ATOM 1373 CA TYR A 101 -14.334 -6.635 10.754 1.00 0.00 C ATOM 1374 C TYR A 101 -15.308 -7.312 9.775 1.00 0.00 C ATOM 1375 O TYR A 101 -15.883 -6.604 8.914 1.00 0.00 O ATOM 1376 CB TYR A 101 -15.053 -6.218 12.052 1.00 0.00 C ATOM 1377 CG TYR A 101 -14.162 -5.726 13.185 1.00 0.00 C ATOM 1378 CD1 TYR A 101 -13.223 -6.611 13.763 1.00 0.00 C ATOM 1379 CD2 TYR A 101 -14.283 -4.402 13.668 1.00 0.00 C ATOM 1380 CE1 TYR A 101 -12.391 -6.168 14.812 1.00 0.00 C ATOM 1381 CE2 TYR A 101 -13.453 -3.953 14.720 1.00 0.00 C ATOM 1382 CZ TYR A 101 -12.502 -4.838 15.284 1.00 0.00 C ATOM 1383 OH TYR A 101 -11.691 -4.427 16.298 1.00 0.00 O ATOM 1384 OXT TYR A 101 -15.466 -8.549 9.826 1.00 0.00 O ATOM 0 H TYR A 101 -14.402 -5.077 9.399 1.00 0.00 H new ATOM 0 HA TYR A 101 -13.547 -7.336 11.033 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -15.767 -5.430 11.811 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -15.629 -7.070 12.414 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.143 -7.626 13.401 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -15.011 -3.733 13.232 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.671 -6.841 15.254 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -13.543 -2.943 15.091 1.00 0.00 H new ATOM 0 HH TYR A 101 -11.883 -3.490 16.512 1.00 0.00 H new TER 1393 TYR A 101 HETATM 1394 C8 STF A 102 4.467 6.819 6.841 1.00 0.00 C HETATM 1395 S12 STF A 102 5.501 7.717 5.591 1.00 0.00 S HETATM 1396 C11 STF A 102 3.997 8.495 4.876 1.00 0.00 C HETATM 1397 N10 STF A 102 2.834 8.163 5.475 1.00 0.00 N HETATM 1398 C9 STF A 102 3.012 7.167 6.570 1.00 0.00 C HETATM 1399 O17 STF A 102 2.087 6.903 7.304 1.00 0.00 O HETATM 1400 S18 STF A 102 4.206 9.691 3.631 1.00 0.00 S HETATM 1401 C7 STF A 102 4.684 5.346 6.722 1.00 0.00 C HETATM 1402 C1 STF A 102 3.996 4.702 5.568 1.00 0.00 C HETATM 1403 C6 STF A 102 4.436 4.807 4.255 1.00 0.00 C HETATM 1404 C5 STF A 102 3.738 4.226 3.181 1.00 0.00 C HETATM 1405 C4 STF A 102 2.600 3.429 3.428 1.00 0.00 C HETATM 1406 C3 STF A 102 2.249 3.183 4.772 1.00 0.00 C HETATM 1407 C2 STF A 102 2.946 3.759 5.822 1.00 0.00 C HETATM 1408 C13 STF A 102 1.814 2.825 2.267 1.00 0.00 C HETATM 1409 F16 STF A 102 1.722 3.736 1.232 1.00 0.00 F HETATM 1410 F15 STF A 102 0.555 2.458 2.632 1.00 0.00 F HETATM 1411 F14 STF A 102 2.463 1.705 1.809 1.00 0.00 F HETATM 0 H7 STF A 102 4.743 7.115 7.853 1.00 0.00 H new HETATM 0 H6 STF A 102 4.345 4.868 7.641 1.00 0.00 H new HETATM 0 H5 STF A 102 5.754 5.157 6.640 1.00 0.00 H new HETATM 0 H4 STF A 102 5.354 5.358 4.050 1.00 0.00 H new HETATM 0 H3 STF A 102 4.076 4.391 2.158 1.00 0.00 H new HETATM 0 H2 STF A 102 1.409 2.524 4.990 1.00 0.00 H new HETATM 0 H19 STF A 102 3.878 9.182 2.481 1.00 0.00 H new HETATM 0 H1 STF A 102 2.694 3.493 6.849 1.00 0.00 H new