USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 494 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 26 CYS SG : rot -118:sc= -1.93! USER MOD Set 1.2: A 28 CYS SG : rot -135:sc= -0.581 USER MOD Set 1.3: A 48 CYS SG : rot 152:sc= -0.464 USER MOD Set 1.4: A 50 SER OG : rot 180:sc= 0 USER MOD Set 1.5: A 51 CYS SG : rot -58:sc= -1.84 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -168:sc= -0.126 (180deg=-0.51) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.6!) USER MOD Single : A 20 GLN : amide:sc= -2.6! C(o=-2.6!,f=-3.5!) USER MOD Single : A 21 MET CE :methyl 142:sc= -1.19 (180deg=-2.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -130:sc= -2.26 (180deg=-6.97!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.298 USER MOD Single : A 68 TYR OH : rot 17:sc= -0.589 USER MOD ----------------------------------------------------------------- ATOM 47 N THR A 4 -14.677 10.483 4.306 1.00 0.00 N ATOM 48 CA THR A 4 -14.011 10.251 3.023 1.00 0.00 C ATOM 49 C THR A 4 -14.126 11.478 2.113 1.00 0.00 C ATOM 50 O THR A 4 -14.619 12.530 2.528 1.00 0.00 O ATOM 51 CB THR A 4 -14.584 9.008 2.314 1.00 0.00 C ATOM 52 OG1 THR A 4 -15.799 9.303 1.641 1.00 0.00 O ATOM 53 CG2 THR A 4 -14.847 7.845 3.247 1.00 0.00 C ATOM 0 HA THR A 4 -12.956 10.072 3.231 1.00 0.00 H new ATOM 0 HB THR A 4 -13.809 8.718 1.604 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.134 8.494 1.201 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.249 7.006 2.679 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.915 7.545 3.726 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.567 8.145 4.009 1.00 0.00 H new ATOM 61 N TYR A 5 -13.673 11.328 0.871 1.00 0.00 N ATOM 62 CA TYR A 5 -13.724 12.413 -0.108 1.00 0.00 C ATOM 63 C TYR A 5 -13.503 11.886 -1.527 1.00 0.00 C ATOM 64 O TYR A 5 -14.169 12.321 -2.468 1.00 0.00 O ATOM 65 CB TYR A 5 -12.673 13.482 0.217 1.00 0.00 C ATOM 66 CG TYR A 5 -13.164 14.566 1.153 1.00 0.00 C ATOM 67 CD1 TYR A 5 -14.124 15.485 0.744 1.00 0.00 C ATOM 68 CD2 TYR A 5 -12.661 14.675 2.444 1.00 0.00 C ATOM 69 CE1 TYR A 5 -14.566 16.481 1.595 1.00 0.00 C ATOM 70 CE2 TYR A 5 -13.099 15.666 3.300 1.00 0.00 C ATOM 71 CZ TYR A 5 -14.051 16.568 2.871 1.00 0.00 C ATOM 72 OH TYR A 5 -14.489 17.560 3.719 1.00 0.00 O ATOM 0 H TYR A 5 -13.265 10.463 0.517 1.00 0.00 H new ATOM 0 HA TYR A 5 -14.717 12.860 -0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -11.804 12.998 0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -12.340 13.943 -0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -14.531 15.420 -0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -11.914 13.972 2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -15.311 17.188 1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -12.698 15.735 4.301 1.00 0.00 H new ATOM 0 HH TYR A 5 -14.028 17.481 4.580 1.00 0.00 H new ATOM 82 N ASP A 6 -12.562 10.950 -1.669 1.00 0.00 N ATOM 83 CA ASP A 6 -12.246 10.364 -2.970 1.00 0.00 C ATOM 84 C ASP A 6 -11.855 8.893 -2.828 1.00 0.00 C ATOM 85 O ASP A 6 -11.656 8.394 -1.714 1.00 0.00 O ATOM 86 CB ASP A 6 -11.110 11.150 -3.641 1.00 0.00 C ATOM 87 CG ASP A 6 -11.347 11.390 -5.122 1.00 0.00 C ATOM 88 OD1 ASP A 6 -11.512 10.402 -5.870 1.00 0.00 O ATOM 89 OD2 ASP A 6 -11.357 12.569 -5.537 1.00 0.00 O ATOM 0 H ASP A 6 -12.006 10.582 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.137 10.421 -3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.993 12.110 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.174 10.606 -3.512 1.00 0.00 H new ATOM 94 N GLU A 7 -11.748 8.206 -3.966 1.00 0.00 N ATOM 95 CA GLU A 7 -11.385 6.794 -3.984 1.00 0.00 C ATOM 96 C GLU A 7 -10.156 6.560 -4.856 1.00 0.00 C ATOM 97 O GLU A 7 -10.212 6.713 -6.078 1.00 0.00 O ATOM 98 CB GLU A 7 -12.559 5.952 -4.491 1.00 0.00 C ATOM 99 CG GLU A 7 -13.682 5.803 -3.476 1.00 0.00 C ATOM 100 CD GLU A 7 -14.872 6.693 -3.783 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.820 7.894 -3.441 1.00 0.00 O ATOM 102 OE2 GLU A 7 -15.855 6.188 -4.364 1.00 0.00 O ATOM 0 H GLU A 7 -11.909 8.609 -4.889 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.145 6.491 -2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.958 6.407 -5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.194 4.962 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.008 4.763 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.302 6.041 -2.483 1.00 0.00 H new ATOM 109 N ILE A 8 -9.049 6.187 -4.217 1.00 0.00 N ATOM 110 CA ILE A 8 -7.799 5.927 -4.927 1.00 0.00 C ATOM 111 C ILE A 8 -7.725 4.473 -5.388 1.00 0.00 C ATOM 112 O ILE A 8 -8.354 3.594 -4.799 1.00 0.00 O ATOM 113 CB ILE A 8 -6.570 6.241 -4.041 1.00 0.00 C ATOM 114 CG1 ILE A 8 -6.710 7.619 -3.387 1.00 0.00 C ATOM 115 CG2 ILE A 8 -5.286 6.175 -4.857 1.00 0.00 C ATOM 116 CD1 ILE A 8 -6.793 8.762 -4.378 1.00 0.00 C ATOM 0 H ILE A 8 -8.993 6.058 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.784 6.584 -5.797 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.521 5.487 -3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.604 7.626 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.859 7.785 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.435 6.399 -4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.172 5.175 -5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.331 6.904 -5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.891 9.704 -3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.888 8.783 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.660 8.622 -5.024 1.00 0.00 H new ATOM 128 N GLU A 9 -6.953 4.226 -6.444 1.00 0.00 N ATOM 129 CA GLU A 9 -6.797 2.876 -6.985 1.00 0.00 C ATOM 130 C GLU A 9 -5.333 2.444 -6.978 1.00 0.00 C ATOM 131 O GLU A 9 -4.434 3.268 -7.164 1.00 0.00 O ATOM 132 CB GLU A 9 -7.346 2.809 -8.414 1.00 0.00 C ATOM 133 CG GLU A 9 -8.816 3.198 -8.531 1.00 0.00 C ATOM 134 CD GLU A 9 -9.317 3.238 -9.967 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.512 3.528 -10.878 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.523 2.986 -10.178 1.00 0.00 O ATOM 0 H GLU A 9 -6.425 4.942 -6.943 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.361 2.195 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.755 3.467 -9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.217 1.796 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.418 2.489 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.963 4.177 -8.075 1.00 0.00 H new ATOM 143 N ILE A 10 -5.102 1.142 -6.772 1.00 0.00 N ATOM 144 CA ILE A 10 -3.745 0.588 -6.751 1.00 0.00 C ATOM 145 C ILE A 10 -3.014 0.867 -8.069 1.00 0.00 C ATOM 146 O ILE A 10 -1.804 1.099 -8.076 1.00 0.00 O ATOM 147 CB ILE A 10 -3.751 -0.938 -6.467 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.319 -1.467 -6.317 1.00 0.00 C ATOM 149 CG2 ILE A 10 -4.487 -1.701 -7.564 1.00 0.00 C ATOM 150 CD1 ILE A 10 -1.637 -1.023 -5.040 1.00 0.00 C ATOM 0 H ILE A 10 -5.838 0.453 -6.618 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.213 1.085 -5.939 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.282 -1.099 -5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.338 -2.556 -6.348 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.727 -1.134 -7.169 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.474 -2.767 -7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.519 -1.354 -7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.994 -1.528 -8.521 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.629 -1.435 -5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.585 0.065 -5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.206 -1.379 -4.181 1.00 0.00 H new ATOM 162 N GLU A 11 -3.759 0.852 -9.179 1.00 0.00 N ATOM 163 CA GLU A 11 -3.181 1.115 -10.498 1.00 0.00 C ATOM 164 C GLU A 11 -2.679 2.559 -10.596 1.00 0.00 C ATOM 165 O GLU A 11 -1.670 2.829 -11.249 1.00 0.00 O ATOM 166 CB GLU A 11 -4.214 0.848 -11.599 1.00 0.00 C ATOM 167 CG GLU A 11 -3.609 0.305 -12.886 1.00 0.00 C ATOM 168 CD GLU A 11 -4.592 0.312 -14.042 1.00 0.00 C ATOM 169 OE1 GLU A 11 -4.869 1.404 -14.581 1.00 0.00 O ATOM 170 OE2 GLU A 11 -5.084 -0.777 -14.409 1.00 0.00 O ATOM 0 H GLU A 11 -4.761 0.661 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.334 0.442 -10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.953 0.138 -11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.745 1.774 -11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.736 0.901 -13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.260 -0.714 -12.717 1.00 0.00 H new ATOM 177 N ASP A 12 -3.387 3.480 -9.936 1.00 0.00 N ATOM 178 CA ASP A 12 -3.016 4.894 -9.941 1.00 0.00 C ATOM 179 C ASP A 12 -2.187 5.254 -8.705 1.00 0.00 C ATOM 180 O ASP A 12 -2.342 6.335 -8.135 1.00 0.00 O ATOM 181 CB ASP A 12 -4.270 5.772 -10.003 1.00 0.00 C ATOM 182 CG ASP A 12 -4.869 5.831 -11.393 1.00 0.00 C ATOM 183 OD1 ASP A 12 -4.176 6.299 -12.322 1.00 0.00 O ATOM 184 OD2 ASP A 12 -6.034 5.410 -11.554 1.00 0.00 O ATOM 0 H ASP A 12 -4.223 3.269 -9.390 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.406 5.077 -10.826 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.014 5.386 -9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.020 6.781 -9.676 1.00 0.00 H new ATOM 189 N MET A 13 -1.305 4.343 -8.298 1.00 0.00 N ATOM 190 CA MET A 13 -0.451 4.568 -7.135 1.00 0.00 C ATOM 191 C MET A 13 0.995 4.185 -7.444 1.00 0.00 C ATOM 192 O MET A 13 1.251 3.151 -8.064 1.00 0.00 O ATOM 193 CB MET A 13 -0.965 3.769 -5.933 1.00 0.00 C ATOM 194 CG MET A 13 -0.725 4.461 -4.599 1.00 0.00 C ATOM 195 SD MET A 13 -2.170 5.366 -4.013 1.00 0.00 S ATOM 196 CE MET A 13 -2.490 4.532 -2.460 1.00 0.00 C ATOM 0 H MET A 13 -1.164 3.443 -8.757 1.00 0.00 H new ATOM 0 HA MET A 13 -0.481 5.630 -6.890 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.034 3.591 -6.055 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.479 2.793 -5.920 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.441 3.717 -3.855 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.114 5.150 -4.698 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.468 4.829 -2.082 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.474 3.453 -2.616 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.723 4.805 -1.735 1.00 0.00 H new ATOM 206 N THR A 14 1.937 5.029 -7.011 1.00 0.00 N ATOM 207 CA THR A 14 3.359 4.778 -7.246 1.00 0.00 C ATOM 208 C THR A 14 3.849 3.594 -6.420 1.00 0.00 C ATOM 209 O THR A 14 3.498 3.455 -5.246 1.00 0.00 O ATOM 210 CB THR A 14 4.200 6.016 -6.914 1.00 0.00 C ATOM 211 OG1 THR A 14 3.628 7.186 -7.478 1.00 0.00 O ATOM 212 CG2 THR A 14 5.625 5.909 -7.418 1.00 0.00 C ATOM 0 H THR A 14 1.740 5.888 -6.498 1.00 0.00 H new ATOM 0 HA THR A 14 3.476 4.545 -8.304 1.00 0.00 H new ATOM 0 HB THR A 14 4.213 6.078 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.181 7.963 -7.251 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.173 6.814 -7.154 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.109 5.046 -6.961 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.620 5.791 -8.502 1.00 0.00 H new ATOM 220 N PHE A 15 4.670 2.748 -7.040 1.00 0.00 N ATOM 221 CA PHE A 15 5.217 1.579 -6.362 1.00 0.00 C ATOM 222 C PHE A 15 6.655 1.835 -5.931 1.00 0.00 C ATOM 223 O PHE A 15 7.481 2.286 -6.729 1.00 0.00 O ATOM 224 CB PHE A 15 5.152 0.335 -7.261 1.00 0.00 C ATOM 225 CG PHE A 15 5.631 0.563 -8.672 1.00 0.00 C ATOM 226 CD1 PHE A 15 4.753 0.998 -9.654 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.956 0.342 -9.017 1.00 0.00 C ATOM 228 CE1 PHE A 15 5.187 1.208 -10.949 1.00 0.00 C ATOM 229 CE2 PHE A 15 7.396 0.551 -10.311 1.00 0.00 C ATOM 230 CZ PHE A 15 6.510 0.985 -11.278 1.00 0.00 C ATOM 0 H PHE A 15 4.969 2.852 -8.010 1.00 0.00 H new ATOM 0 HA PHE A 15 4.609 1.394 -5.476 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.751 -0.456 -6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.123 -0.023 -7.293 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.717 1.175 -9.403 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.653 0.002 -8.265 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.492 1.546 -11.704 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.431 0.375 -10.565 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.851 1.150 -12.289 1.00 0.00 H new ATOM 240 N GLU A 16 6.949 1.546 -4.668 1.00 0.00 N ATOM 241 CA GLU A 16 8.291 1.743 -4.138 1.00 0.00 C ATOM 242 C GLU A 16 8.974 0.403 -3.886 1.00 0.00 C ATOM 243 O GLU A 16 8.850 -0.176 -2.803 1.00 0.00 O ATOM 244 CB GLU A 16 8.244 2.560 -2.846 1.00 0.00 C ATOM 245 CG GLU A 16 8.673 4.012 -3.023 1.00 0.00 C ATOM 246 CD GLU A 16 7.603 4.900 -3.646 1.00 0.00 C ATOM 247 OE1 GLU A 16 6.429 4.464 -3.749 1.00 0.00 O ATOM 248 OE2 GLU A 16 7.942 6.042 -4.029 1.00 0.00 O ATOM 0 H GLU A 16 6.278 1.176 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 16 8.870 2.294 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.229 2.536 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.888 2.088 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.949 4.420 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.566 4.043 -3.647 1.00 0.00 H new ATOM 255 N PRO A 17 9.702 -0.115 -4.895 1.00 0.00 N ATOM 256 CA PRO A 17 10.407 -1.398 -4.789 1.00 0.00 C ATOM 257 C PRO A 17 11.668 -1.317 -3.923 1.00 0.00 C ATOM 258 O PRO A 17 12.780 -1.555 -4.400 1.00 0.00 O ATOM 259 CB PRO A 17 10.760 -1.718 -6.242 1.00 0.00 C ATOM 260 CG PRO A 17 10.879 -0.389 -6.905 1.00 0.00 C ATOM 261 CD PRO A 17 9.881 0.507 -6.224 1.00 0.00 C ATOM 0 HA PRO A 17 9.798 -2.160 -4.303 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.693 -2.278 -6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.988 -2.327 -6.712 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.890 0.007 -6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.670 -0.465 -7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.251 1.529 -6.141 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.942 0.552 -6.775 1.00 0.00 H new ATOM 269 N GLU A 18 11.483 -0.990 -2.645 1.00 0.00 N ATOM 270 CA GLU A 18 12.596 -0.888 -1.705 1.00 0.00 C ATOM 271 C GLU A 18 12.277 -1.629 -0.404 1.00 0.00 C ATOM 272 O GLU A 18 13.073 -2.445 0.064 1.00 0.00 O ATOM 273 CB GLU A 18 12.927 0.582 -1.419 1.00 0.00 C ATOM 274 CG GLU A 18 11.707 1.455 -1.169 1.00 0.00 C ATOM 275 CD GLU A 18 12.015 2.931 -1.317 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.541 3.528 -0.355 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.733 3.490 -2.398 1.00 0.00 O ATOM 0 H GLU A 18 10.570 -0.791 -2.237 1.00 0.00 H new ATOM 0 HA GLU A 18 13.469 -1.356 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.582 0.633 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.485 0.989 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.917 1.179 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.326 1.265 -0.166 1.00 0.00 H new ATOM 284 N ASN A 19 11.104 -1.345 0.168 1.00 0.00 N ATOM 285 CA ASN A 19 10.673 -1.990 1.407 1.00 0.00 C ATOM 286 C ASN A 19 9.199 -2.408 1.332 1.00 0.00 C ATOM 287 O ASN A 19 8.498 -2.422 2.347 1.00 0.00 O ATOM 288 CB ASN A 19 10.900 -1.050 2.597 1.00 0.00 C ATOM 289 CG ASN A 19 12.291 -1.187 3.193 1.00 0.00 C ATOM 290 OD1 ASN A 19 12.897 -2.258 3.150 1.00 0.00 O ATOM 291 ND2 ASN A 19 12.806 -0.100 3.758 1.00 0.00 N ATOM 0 H ASN A 19 10.437 -0.672 -0.209 1.00 0.00 H new ATOM 0 HA ASN A 19 11.270 -2.891 1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.746 -0.020 2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.157 -1.258 3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 19 13.736 -0.134 4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.272 0.769 3.773 1.00 0.00 H new ATOM 298 N GLN A 20 8.738 -2.763 0.125 1.00 0.00 N ATOM 299 CA GLN A 20 7.355 -3.195 -0.089 1.00 0.00 C ATOM 300 C GLN A 20 6.355 -2.131 0.383 1.00 0.00 C ATOM 301 O GLN A 20 5.616 -2.336 1.351 1.00 0.00 O ATOM 302 CB GLN A 20 7.105 -4.527 0.626 1.00 0.00 C ATOM 303 CG GLN A 20 7.534 -5.741 -0.182 1.00 0.00 C ATOM 304 CD GLN A 20 6.781 -6.996 0.214 1.00 0.00 C ATOM 305 OE1 GLN A 20 5.759 -7.327 -0.380 1.00 0.00 O ATOM 306 NE2 GLN A 20 7.284 -7.700 1.223 1.00 0.00 N ATOM 0 H GLN A 20 9.308 -2.758 -0.721 1.00 0.00 H new ATOM 0 HA GLN A 20 7.204 -3.333 -1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.639 -4.526 1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.043 -4.612 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.373 -5.544 -1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.603 -5.904 -0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.136 -7.387 1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.818 -8.553 1.532 1.00 0.00 H new ATOM 315 N MET A 21 6.336 -0.995 -0.316 1.00 0.00 N ATOM 316 CA MET A 21 5.427 0.102 0.019 1.00 0.00 C ATOM 317 C MET A 21 4.989 0.856 -1.236 1.00 0.00 C ATOM 318 O MET A 21 5.656 0.799 -2.272 1.00 0.00 O ATOM 319 CB MET A 21 6.085 1.070 1.010 1.00 0.00 C ATOM 320 CG MET A 21 7.417 1.633 0.543 1.00 0.00 C ATOM 321 SD MET A 21 7.690 3.315 1.128 1.00 0.00 S ATOM 322 CE MET A 21 9.359 3.601 0.552 1.00 0.00 C ATOM 0 H MET A 21 6.940 -0.811 -1.117 1.00 0.00 H new ATOM 0 HA MET A 21 4.543 -0.332 0.487 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.401 1.897 1.201 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.234 0.555 1.959 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.224 0.992 0.897 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.453 1.619 -0.546 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.453 4.630 0.207 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.060 3.426 1.368 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.582 2.921 -0.270 1.00 0.00 H new ATOM 332 N PHE A 22 3.861 1.561 -1.136 1.00 0.00 N ATOM 333 CA PHE A 22 3.327 2.329 -2.261 1.00 0.00 C ATOM 334 C PHE A 22 2.970 3.749 -1.827 1.00 0.00 C ATOM 335 O PHE A 22 2.244 3.941 -0.847 1.00 0.00 O ATOM 336 CB PHE A 22 2.086 1.642 -2.840 1.00 0.00 C ATOM 337 CG PHE A 22 2.381 0.385 -3.613 1.00 0.00 C ATOM 338 CD1 PHE A 22 2.893 -0.737 -2.977 1.00 0.00 C ATOM 339 CD2 PHE A 22 2.138 0.324 -4.975 1.00 0.00 C ATOM 340 CE1 PHE A 22 3.156 -1.893 -3.687 1.00 0.00 C ATOM 341 CE2 PHE A 22 2.400 -0.829 -5.690 1.00 0.00 C ATOM 342 CZ PHE A 22 2.909 -1.939 -5.046 1.00 0.00 C ATOM 0 H PHE A 22 3.299 1.616 -0.286 1.00 0.00 H new ATOM 0 HA PHE A 22 4.099 2.378 -3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.404 1.402 -2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.568 2.344 -3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.088 -0.706 -1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.739 1.188 -5.485 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.554 -2.760 -3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.207 -0.862 -6.752 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.114 -2.841 -5.603 1.00 0.00 H new ATOM 352 N THR A 23 3.482 4.740 -2.557 1.00 0.00 N ATOM 353 CA THR A 23 3.215 6.142 -2.240 1.00 0.00 C ATOM 354 C THR A 23 2.435 6.832 -3.364 1.00 0.00 C ATOM 355 O THR A 23 2.266 6.274 -4.451 1.00 0.00 O ATOM 356 CB THR A 23 4.528 6.893 -1.972 1.00 0.00 C ATOM 357 OG1 THR A 23 5.231 7.134 -3.180 1.00 0.00 O ATOM 358 CG2 THR A 23 5.468 6.162 -1.033 1.00 0.00 C ATOM 0 H THR A 23 4.082 4.598 -3.369 1.00 0.00 H new ATOM 0 HA THR A 23 2.602 6.165 -1.339 1.00 0.00 H new ATOM 0 HB THR A 23 4.224 7.826 -1.498 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.063 7.614 -2.984 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.373 6.753 -0.891 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.978 6.013 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.730 5.194 -1.461 1.00 0.00 H new ATOM 366 N TYR A 24 1.964 8.052 -3.092 1.00 0.00 N ATOM 367 CA TYR A 24 1.205 8.828 -4.075 1.00 0.00 C ATOM 368 C TYR A 24 1.145 10.305 -3.681 1.00 0.00 C ATOM 369 O TYR A 24 0.911 10.633 -2.519 1.00 0.00 O ATOM 370 CB TYR A 24 -0.218 8.275 -4.215 1.00 0.00 C ATOM 371 CG TYR A 24 -1.055 9.006 -5.244 1.00 0.00 C ATOM 372 CD1 TYR A 24 -1.786 10.137 -4.898 1.00 0.00 C ATOM 373 CD2 TYR A 24 -1.109 8.568 -6.561 1.00 0.00 C ATOM 374 CE1 TYR A 24 -2.546 10.810 -5.836 1.00 0.00 C ATOM 375 CE2 TYR A 24 -1.867 9.236 -7.504 1.00 0.00 C ATOM 376 CZ TYR A 24 -2.583 10.355 -7.136 1.00 0.00 C ATOM 377 OH TYR A 24 -3.337 11.024 -8.074 1.00 0.00 O ATOM 0 H TYR A 24 2.096 8.524 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 24 1.719 8.742 -5.033 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.164 7.221 -4.486 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.717 8.330 -3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.760 10.496 -3.880 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.550 7.691 -6.853 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.108 11.688 -5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.898 8.883 -8.524 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.254 10.575 -8.941 1.00 0.00 H new ATOM 387 N PRO A 25 1.348 11.221 -4.651 1.00 0.00 N ATOM 388 CA PRO A 25 1.307 12.667 -4.394 1.00 0.00 C ATOM 389 C PRO A 25 -0.091 13.147 -4.008 1.00 0.00 C ATOM 390 O PRO A 25 -0.969 13.288 -4.862 1.00 0.00 O ATOM 391 CB PRO A 25 1.739 13.282 -5.730 1.00 0.00 C ATOM 392 CG PRO A 25 1.412 12.246 -6.748 1.00 0.00 C ATOM 393 CD PRO A 25 1.624 10.923 -6.070 1.00 0.00 C ATOM 0 HA PRO A 25 1.945 12.950 -3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.207 14.213 -5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.803 13.517 -5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.383 12.348 -7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.053 12.343 -7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.951 10.159 -6.459 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.640 10.556 -6.214 1.00 0.00 H new ATOM 401 N CYS A 26 -0.290 13.398 -2.714 1.00 0.00 N ATOM 402 CA CYS A 26 -1.579 13.867 -2.212 1.00 0.00 C ATOM 403 C CYS A 26 -1.878 15.272 -2.732 1.00 0.00 C ATOM 404 O CYS A 26 -0.985 16.120 -2.795 1.00 0.00 O ATOM 405 CB CYS A 26 -1.592 13.865 -0.679 1.00 0.00 C ATOM 406 SG CYS A 26 -3.198 14.314 0.061 1.00 0.00 S ATOM 0 H CYS A 26 0.425 13.284 -1.996 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.351 13.187 -2.572 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.308 12.873 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.833 14.560 -0.320 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.064 15.400 0.762 1.00 0.00 H new ATOM 411 N PRO A 27 -3.145 15.539 -3.113 1.00 0.00 N ATOM 412 CA PRO A 27 -3.565 16.850 -3.628 1.00 0.00 C ATOM 413 C PRO A 27 -3.202 18.004 -2.689 1.00 0.00 C ATOM 414 O PRO A 27 -3.046 19.144 -3.134 1.00 0.00 O ATOM 415 CB PRO A 27 -5.092 16.731 -3.758 1.00 0.00 C ATOM 416 CG PRO A 27 -5.467 15.485 -3.028 1.00 0.00 C ATOM 417 CD PRO A 27 -4.265 14.588 -3.074 1.00 0.00 C ATOM 0 HA PRO A 27 -3.062 17.081 -4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.590 17.600 -3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.392 16.676 -4.804 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.746 15.708 -1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.327 15.006 -3.495 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.213 13.938 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.277 13.942 -3.952 1.00 0.00 H new ATOM 425 N CYS A 28 -3.070 17.709 -1.391 1.00 0.00 N ATOM 426 CA CYS A 28 -2.726 18.734 -0.406 1.00 0.00 C ATOM 427 C CYS A 28 -1.277 19.207 -0.577 1.00 0.00 C ATOM 428 O CYS A 28 -0.983 20.395 -0.419 1.00 0.00 O ATOM 429 CB CYS A 28 -2.955 18.210 1.019 1.00 0.00 C ATOM 430 SG CYS A 28 -1.508 17.394 1.773 1.00 0.00 S ATOM 0 H CYS A 28 -3.196 16.774 -1.002 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.380 19.590 -0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.257 19.043 1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.786 17.504 1.003 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.885 16.296 2.358 1.00 0.00 H new ATOM 435 N GLY A 29 -0.377 18.274 -0.899 1.00 0.00 N ATOM 436 CA GLY A 29 1.024 18.621 -1.082 1.00 0.00 C ATOM 437 C GLY A 29 1.966 17.480 -0.735 1.00 0.00 C ATOM 438 O GLY A 29 2.913 17.205 -1.474 1.00 0.00 O ATOM 0 H GLY A 29 -0.595 17.287 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.187 18.918 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.263 19.485 -0.461 1.00 0.00 H new ATOM 442 N ASP A 30 1.709 16.817 0.392 1.00 0.00 N ATOM 443 CA ASP A 30 2.544 15.700 0.838 1.00 0.00 C ATOM 444 C ASP A 30 2.343 14.468 -0.053 1.00 0.00 C ATOM 445 O ASP A 30 1.609 14.518 -1.043 1.00 0.00 O ATOM 446 CB ASP A 30 2.227 15.358 2.298 1.00 0.00 C ATOM 447 CG ASP A 30 3.465 14.986 3.092 1.00 0.00 C ATOM 448 OD1 ASP A 30 3.834 13.792 3.095 1.00 0.00 O ATOM 449 OD2 ASP A 30 4.066 15.888 3.711 1.00 0.00 O ATOM 0 H ASP A 30 0.930 17.033 1.013 1.00 0.00 H new ATOM 0 HA ASP A 30 3.588 16.003 0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.740 16.212 2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.518 14.530 2.328 1.00 0.00 H new ATOM 454 N ARG A 31 3.001 13.362 0.302 1.00 0.00 N ATOM 455 CA ARG A 31 2.895 12.125 -0.465 1.00 0.00 C ATOM 456 C ARG A 31 2.392 10.978 0.409 1.00 0.00 C ATOM 457 O ARG A 31 3.079 10.547 1.338 1.00 0.00 O ATOM 458 CB ARG A 31 4.253 11.761 -1.073 1.00 0.00 C ATOM 459 CG ARG A 31 4.156 11.132 -2.455 1.00 0.00 C ATOM 460 CD ARG A 31 5.368 11.468 -3.315 1.00 0.00 C ATOM 461 NE ARG A 31 6.633 11.230 -2.615 1.00 0.00 N ATOM 462 CZ ARG A 31 7.799 11.775 -2.974 1.00 0.00 C ATOM 463 NH1 ARG A 31 7.874 12.565 -4.042 1.00 0.00 N ATOM 464 NH2 ARG A 31 8.896 11.524 -2.267 1.00 0.00 N ATOM 0 H ARG A 31 3.612 13.301 1.116 1.00 0.00 H new ATOM 0 HA ARG A 31 2.174 12.286 -1.267 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.866 12.660 -1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.767 11.070 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.069 10.050 -2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.250 11.481 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.341 10.869 -4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.315 12.513 -3.620 1.00 0.00 H new ATOM 0 HE ARG A 31 6.623 10.611 -1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.038 12.758 -4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.768 12.977 -4.310 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.848 10.915 -1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.786 11.940 -2.541 1.00 0.00 H new ATOM 478 N PHE A 32 1.191 10.487 0.098 1.00 0.00 N ATOM 479 CA PHE A 32 0.589 9.384 0.846 1.00 0.00 C ATOM 480 C PHE A 32 1.441 8.119 0.736 1.00 0.00 C ATOM 481 O PHE A 32 2.184 7.946 -0.231 1.00 0.00 O ATOM 482 CB PHE A 32 -0.831 9.105 0.334 1.00 0.00 C ATOM 483 CG PHE A 32 -1.515 7.971 1.048 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.885 8.095 2.377 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.775 6.778 0.392 1.00 0.00 C ATOM 486 CE1 PHE A 32 -2.500 7.051 3.039 1.00 0.00 C ATOM 487 CE2 PHE A 32 -2.393 5.730 1.049 1.00 0.00 C ATOM 488 CZ PHE A 32 -2.755 5.867 2.374 1.00 0.00 C ATOM 0 H PHE A 32 0.616 10.837 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 32 0.539 9.675 1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.432 10.008 0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.787 8.879 -0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.690 9.019 2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.492 6.666 -0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.782 7.160 4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.592 4.806 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.237 5.050 2.890 1.00 0.00 H new ATOM 498 N GLN A 33 1.327 7.239 1.734 1.00 0.00 N ATOM 499 CA GLN A 33 2.086 5.988 1.752 1.00 0.00 C ATOM 500 C GLN A 33 1.295 4.870 2.433 1.00 0.00 C ATOM 501 O GLN A 33 0.573 5.109 3.403 1.00 0.00 O ATOM 502 CB GLN A 33 3.422 6.186 2.474 1.00 0.00 C ATOM 503 CG GLN A 33 3.293 6.873 3.826 1.00 0.00 C ATOM 504 CD GLN A 33 4.377 6.454 4.802 1.00 0.00 C ATOM 505 OE1 GLN A 33 4.092 5.876 5.851 1.00 0.00 O ATOM 506 NE2 GLN A 33 5.628 6.741 4.460 1.00 0.00 N ATOM 0 H GLN A 33 0.716 7.371 2.540 1.00 0.00 H new ATOM 0 HA GLN A 33 2.273 5.698 0.718 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.896 5.215 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.084 6.775 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.334 7.953 3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.317 6.644 4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.819 7.221 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.398 6.481 5.077 1.00 0.00 H new ATOM 515 N ILE A 34 1.446 3.646 1.921 1.00 0.00 N ATOM 516 CA ILE A 34 0.759 2.483 2.479 1.00 0.00 C ATOM 517 C ILE A 34 1.607 1.217 2.326 1.00 0.00 C ATOM 518 O ILE A 34 2.138 0.939 1.248 1.00 0.00 O ATOM 519 CB ILE A 34 -0.626 2.265 1.821 1.00 0.00 C ATOM 520 CG1 ILE A 34 -1.376 1.123 2.516 1.00 0.00 C ATOM 521 CG2 ILE A 34 -0.483 1.985 0.329 1.00 0.00 C ATOM 522 CD1 ILE A 34 -2.862 1.371 2.659 1.00 0.00 C ATOM 0 H ILE A 34 2.040 3.436 1.119 1.00 0.00 H new ATOM 0 HA ILE A 34 0.607 2.684 3.540 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.206 3.181 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.223 0.203 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.946 0.966 3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.470 1.836 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.005 2.831 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.118 1.088 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.326 0.521 3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.025 2.273 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.306 1.498 1.672 1.00 0.00 H new ATOM 534 N TYR A 35 1.732 0.459 3.416 1.00 0.00 N ATOM 535 CA TYR A 35 2.514 -0.775 3.414 1.00 0.00 C ATOM 536 C TYR A 35 1.643 -1.972 3.045 1.00 0.00 C ATOM 537 O TYR A 35 0.496 -2.074 3.485 1.00 0.00 O ATOM 538 CB TYR A 35 3.151 -0.999 4.789 1.00 0.00 C ATOM 539 CG TYR A 35 4.537 -0.408 4.920 1.00 0.00 C ATOM 540 CD1 TYR A 35 4.742 0.964 4.824 1.00 0.00 C ATOM 541 CD2 TYR A 35 5.641 -1.221 5.140 1.00 0.00 C ATOM 542 CE1 TYR A 35 6.007 1.506 4.942 1.00 0.00 C ATOM 543 CE2 TYR A 35 6.908 -0.686 5.260 1.00 0.00 C ATOM 544 CZ TYR A 35 7.087 0.677 5.160 1.00 0.00 C ATOM 545 OH TYR A 35 8.349 1.212 5.278 1.00 0.00 O ATOM 0 H TYR A 35 1.300 0.680 4.313 1.00 0.00 H new ATOM 0 HA TYR A 35 3.300 -0.677 2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.507 -0.565 5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.202 -2.070 4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.898 1.617 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.506 -2.290 5.219 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.149 2.574 4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.756 -1.333 5.432 1.00 0.00 H new ATOM 0 HH TYR A 35 8.997 0.492 5.430 1.00 0.00 H new ATOM 555 N LEU A 36 2.197 -2.876 2.235 1.00 0.00 N ATOM 556 CA LEU A 36 1.474 -4.072 1.803 1.00 0.00 C ATOM 557 C LEU A 36 1.057 -4.923 3.001 1.00 0.00 C ATOM 558 O LEU A 36 -0.095 -5.343 3.095 1.00 0.00 O ATOM 559 CB LEU A 36 2.332 -4.898 0.843 1.00 0.00 C ATOM 560 CG LEU A 36 2.809 -4.142 -0.398 1.00 0.00 C ATOM 561 CD1 LEU A 36 4.050 -4.798 -0.983 1.00 0.00 C ATOM 562 CD2 LEU A 36 1.696 -4.066 -1.433 1.00 0.00 C ATOM 0 H LEU A 36 3.145 -2.802 1.865 1.00 0.00 H new ATOM 0 HA LEU A 36 0.572 -3.750 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.203 -5.269 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.760 -5.769 0.524 1.00 0.00 H new ATOM 0 HG LEU A 36 3.073 -3.126 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.373 -4.245 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.848 -4.794 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.820 -5.826 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.051 -3.525 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.400 -5.074 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.839 -3.544 -1.008 1.00 0.00 H new ATOM 574 N ASP A 37 1.995 -5.163 3.918 1.00 0.00 N ATOM 575 CA ASP A 37 1.710 -5.954 5.117 1.00 0.00 C ATOM 576 C ASP A 37 0.595 -5.307 5.942 1.00 0.00 C ATOM 577 O ASP A 37 -0.258 -6.000 6.497 1.00 0.00 O ATOM 578 CB ASP A 37 2.972 -6.103 5.974 1.00 0.00 C ATOM 579 CG ASP A 37 3.860 -7.240 5.507 1.00 0.00 C ATOM 580 OD1 ASP A 37 4.685 -7.014 4.596 1.00 0.00 O ATOM 581 OD2 ASP A 37 3.732 -8.356 6.053 1.00 0.00 O ATOM 0 H ASP A 37 2.955 -4.823 3.855 1.00 0.00 H new ATOM 0 HA ASP A 37 1.379 -6.942 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.537 -5.171 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.685 -6.273 7.012 1.00 0.00 H new ATOM 586 N ASP A 38 0.610 -3.973 6.010 1.00 0.00 N ATOM 587 CA ASP A 38 -0.397 -3.222 6.761 1.00 0.00 C ATOM 588 C ASP A 38 -1.779 -3.361 6.117 1.00 0.00 C ATOM 589 O ASP A 38 -2.723 -3.830 6.755 1.00 0.00 O ATOM 590 CB ASP A 38 -0.002 -1.739 6.843 1.00 0.00 C ATOM 591 CG ASP A 38 0.911 -1.423 8.018 1.00 0.00 C ATOM 592 OD1 ASP A 38 1.746 -2.281 8.380 1.00 0.00 O ATOM 593 OD2 ASP A 38 0.795 -0.309 8.572 1.00 0.00 O ATOM 0 H ASP A 38 1.311 -3.390 5.552 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.445 -3.635 7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.496 -1.451 5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.905 -1.133 6.921 1.00 0.00 H new ATOM 598 N MET A 39 -1.890 -2.949 4.852 1.00 0.00 N ATOM 599 CA MET A 39 -3.160 -3.026 4.123 1.00 0.00 C ATOM 600 C MET A 39 -3.657 -4.471 4.009 1.00 0.00 C ATOM 601 O MET A 39 -4.865 -4.719 4.006 1.00 0.00 O ATOM 602 CB MET A 39 -3.020 -2.399 2.730 1.00 0.00 C ATOM 603 CG MET A 39 -2.034 -3.112 1.818 1.00 0.00 C ATOM 604 SD MET A 39 -1.343 -2.022 0.557 1.00 0.00 S ATOM 605 CE MET A 39 -2.502 -2.279 -0.784 1.00 0.00 C ATOM 0 H MET A 39 -1.118 -2.559 4.311 1.00 0.00 H new ATOM 0 HA MET A 39 -3.900 -2.462 4.691 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.998 -2.388 2.250 1.00 0.00 H new ATOM 0 HB3 MET A 39 -2.708 -1.361 2.842 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.224 -3.527 2.418 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.534 -3.951 1.334 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.955 -2.499 -1.701 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.158 -3.116 -0.543 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.100 -1.379 -0.926 1.00 0.00 H new ATOM 615 N PHE A 40 -2.720 -5.418 3.920 1.00 0.00 N ATOM 616 CA PHE A 40 -3.056 -6.838 3.813 1.00 0.00 C ATOM 617 C PHE A 40 -3.894 -7.300 5.011 1.00 0.00 C ATOM 618 O PHE A 40 -4.804 -8.116 4.859 1.00 0.00 O ATOM 619 CB PHE A 40 -1.772 -7.669 3.708 1.00 0.00 C ATOM 620 CG PHE A 40 -1.996 -9.143 3.509 1.00 0.00 C ATOM 621 CD1 PHE A 40 -2.912 -9.610 2.577 1.00 0.00 C ATOM 622 CD2 PHE A 40 -1.280 -10.063 4.257 1.00 0.00 C ATOM 623 CE1 PHE A 40 -3.107 -10.967 2.397 1.00 0.00 C ATOM 624 CE2 PHE A 40 -1.471 -11.419 4.082 1.00 0.00 C ATOM 625 CZ PHE A 40 -2.385 -11.873 3.151 1.00 0.00 C ATOM 0 H PHE A 40 -1.718 -5.225 3.920 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.653 -6.984 2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.176 -7.290 2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.185 -7.523 4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.479 -8.906 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.563 -9.715 4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.822 -11.319 1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.906 -12.125 4.673 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.535 -12.934 3.013 1.00 0.00 H new ATOM 635 N GLU A 41 -3.588 -6.770 6.200 1.00 0.00 N ATOM 636 CA GLU A 41 -4.325 -7.126 7.416 1.00 0.00 C ATOM 637 C GLU A 41 -5.817 -6.820 7.262 1.00 0.00 C ATOM 638 O GLU A 41 -6.666 -7.578 7.734 1.00 0.00 O ATOM 639 CB GLU A 41 -3.764 -6.373 8.626 1.00 0.00 C ATOM 640 CG GLU A 41 -2.493 -6.987 9.191 1.00 0.00 C ATOM 641 CD GLU A 41 -2.467 -6.983 10.707 1.00 0.00 C ATOM 642 OE1 GLU A 41 -2.334 -5.889 11.296 1.00 0.00 O ATOM 643 OE2 GLU A 41 -2.581 -8.072 11.306 1.00 0.00 O ATOM 0 H GLU A 41 -2.837 -6.095 6.346 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.204 -8.197 7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.562 -5.341 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.522 -6.344 9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.399 -8.012 8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.630 -6.437 8.815 1.00 0.00 H new ATOM 650 N GLY A 42 -6.125 -5.705 6.597 1.00 0.00 N ATOM 651 CA GLY A 42 -7.510 -5.317 6.386 1.00 0.00 C ATOM 652 C GLY A 42 -7.710 -3.812 6.428 1.00 0.00 C ATOM 653 O GLY A 42 -8.568 -3.316 7.161 1.00 0.00 O ATOM 0 H GLY A 42 -5.438 -5.064 6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.847 -5.697 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.134 -5.784 7.148 1.00 0.00 H new ATOM 657 N GLU A 43 -6.918 -3.085 5.640 1.00 0.00 N ATOM 658 CA GLU A 43 -7.009 -1.628 5.589 1.00 0.00 C ATOM 659 C GLU A 43 -7.583 -1.156 4.255 1.00 0.00 C ATOM 660 O GLU A 43 -7.516 -1.868 3.252 1.00 0.00 O ATOM 661 CB GLU A 43 -5.633 -1.000 5.811 1.00 0.00 C ATOM 662 CG GLU A 43 -5.683 0.317 6.568 1.00 0.00 C ATOM 663 CD GLU A 43 -4.576 0.439 7.595 1.00 0.00 C ATOM 664 OE1 GLU A 43 -3.413 0.650 7.193 1.00 0.00 O ATOM 665 OE2 GLU A 43 -4.873 0.322 8.802 1.00 0.00 O ATOM 0 H GLU A 43 -6.206 -3.483 5.028 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.682 -1.309 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.006 -1.702 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.157 -0.837 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.610 1.142 5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.648 0.409 7.066 1.00 0.00 H new ATOM 672 N LYS A 44 -8.144 0.053 4.256 1.00 0.00 N ATOM 673 CA LYS A 44 -8.731 0.635 3.048 1.00 0.00 C ATOM 674 C LYS A 44 -8.786 2.163 3.141 1.00 0.00 C ATOM 675 O LYS A 44 -8.397 2.863 2.203 1.00 0.00 O ATOM 676 CB LYS A 44 -10.135 0.068 2.806 1.00 0.00 C ATOM 677 CG LYS A 44 -11.055 0.156 4.014 1.00 0.00 C ATOM 678 CD LYS A 44 -12.195 -0.844 3.918 1.00 0.00 C ATOM 679 CE LYS A 44 -12.526 -1.444 5.275 1.00 0.00 C ATOM 680 NZ LYS A 44 -13.645 -0.724 5.943 1.00 0.00 N ATOM 0 H LYS A 44 -8.205 0.650 5.081 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.094 0.369 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.593 0.603 1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.047 -0.976 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.483 -0.029 4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.460 1.165 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.079 -0.352 3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.925 -1.639 3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.792 -2.494 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.642 -1.411 5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.840 -1.164 6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.382 0.272 6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.496 -0.777 5.348 1.00 0.00 H new ATOM 694 N VAL A 45 -9.266 2.674 4.280 1.00 0.00 N ATOM 695 CA VAL A 45 -9.367 4.115 4.498 1.00 0.00 C ATOM 696 C VAL A 45 -8.204 4.622 5.347 1.00 0.00 C ATOM 697 O VAL A 45 -8.070 4.258 6.517 1.00 0.00 O ATOM 698 CB VAL A 45 -10.701 4.507 5.173 1.00 0.00 C ATOM 699 CG1 VAL A 45 -11.843 4.443 4.173 1.00 0.00 C ATOM 700 CG2 VAL A 45 -10.995 3.621 6.379 1.00 0.00 C ATOM 0 H VAL A 45 -9.590 2.108 5.064 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.330 4.582 3.514 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.606 5.533 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.774 4.722 4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.646 5.132 3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.929 3.429 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.940 3.923 6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.062 2.581 6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.194 3.725 7.111 1.00 0.00 H new ATOM 710 N ALA A 46 -7.365 5.462 4.746 1.00 0.00 N ATOM 711 CA ALA A 46 -6.211 6.019 5.440 1.00 0.00 C ATOM 712 C ALA A 46 -6.390 7.513 5.698 1.00 0.00 C ATOM 713 O ALA A 46 -7.368 8.118 5.250 1.00 0.00 O ATOM 714 CB ALA A 46 -4.946 5.764 4.635 1.00 0.00 C ATOM 0 H ALA A 46 -7.464 5.771 3.779 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.122 5.524 6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.089 6.184 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.805 4.690 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.037 6.235 3.656 1.00 0.00 H new ATOM 720 N VAL A 47 -5.440 8.102 6.423 1.00 0.00 N ATOM 721 CA VAL A 47 -5.495 9.524 6.742 1.00 0.00 C ATOM 722 C VAL A 47 -4.149 10.197 6.494 1.00 0.00 C ATOM 723 O VAL A 47 -3.135 9.813 7.081 1.00 0.00 O ATOM 724 CB VAL A 47 -5.926 9.764 8.207 1.00 0.00 C ATOM 725 CG1 VAL A 47 -7.405 9.452 8.387 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.079 8.940 9.172 1.00 0.00 C ATOM 0 H VAL A 47 -4.626 7.616 6.799 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.242 9.965 6.082 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.765 10.817 8.437 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.690 9.627 9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.995 10.096 7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.591 8.409 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.405 9.129 10.195 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.195 7.880 8.944 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.031 9.221 9.067 1.00 0.00 H new ATOM 736 N CYS A 48 -4.148 11.203 5.620 1.00 0.00 N ATOM 737 CA CYS A 48 -2.925 11.935 5.291 1.00 0.00 C ATOM 738 C CYS A 48 -2.377 12.655 6.525 1.00 0.00 C ATOM 739 O CYS A 48 -3.134 13.273 7.277 1.00 0.00 O ATOM 740 CB CYS A 48 -3.194 12.950 4.173 1.00 0.00 C ATOM 741 SG CYS A 48 -1.751 13.961 3.702 1.00 0.00 S ATOM 0 H CYS A 48 -4.979 11.530 5.127 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.182 11.216 4.947 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.549 12.415 3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.999 13.614 4.489 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.855 14.312 2.455 1.00 0.00 H new ATOM 746 N PRO A 49 -1.049 12.585 6.751 1.00 0.00 N ATOM 747 CA PRO A 49 -0.406 13.233 7.898 1.00 0.00 C ATOM 748 C PRO A 49 -0.099 14.720 7.660 1.00 0.00 C ATOM 749 O PRO A 49 0.738 15.304 8.355 1.00 0.00 O ATOM 750 CB PRO A 49 0.884 12.430 8.052 1.00 0.00 C ATOM 751 CG PRO A 49 1.229 11.994 6.668 1.00 0.00 C ATOM 752 CD PRO A 49 -0.072 11.865 5.911 1.00 0.00 C ATOM 0 HA PRO A 49 -1.045 13.233 8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.679 13.037 8.485 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.741 11.575 8.712 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.885 12.719 6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.762 11.043 6.684 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.000 12.305 4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.354 10.821 5.778 1.00 0.00 H new ATOM 760 N SER A 50 -0.782 15.329 6.685 1.00 0.00 N ATOM 761 CA SER A 50 -0.587 16.741 6.366 1.00 0.00 C ATOM 762 C SER A 50 -1.928 17.475 6.341 1.00 0.00 C ATOM 763 O SER A 50 -2.131 18.437 7.082 1.00 0.00 O ATOM 764 CB SER A 50 0.123 16.895 5.015 1.00 0.00 C ATOM 765 OG SER A 50 0.421 18.256 4.744 1.00 0.00 O ATOM 0 H SER A 50 -1.477 14.861 6.103 1.00 0.00 H new ATOM 0 HA SER A 50 0.039 17.182 7.142 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.044 16.312 5.017 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.508 16.493 4.222 1.00 0.00 H new ATOM 0 HG SER A 50 0.874 18.325 3.878 1.00 0.00 H new ATOM 771 N CYS A 51 -2.841 17.011 5.484 1.00 0.00 N ATOM 772 CA CYS A 51 -4.165 17.625 5.365 1.00 0.00 C ATOM 773 C CYS A 51 -5.225 16.853 6.160 1.00 0.00 C ATOM 774 O CYS A 51 -6.285 17.399 6.480 1.00 0.00 O ATOM 775 CB CYS A 51 -4.580 17.722 3.893 1.00 0.00 C ATOM 776 SG CYS A 51 -4.954 16.119 3.108 1.00 0.00 S ATOM 0 H CYS A 51 -2.688 16.215 4.865 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.097 18.628 5.786 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.458 18.363 3.817 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.781 18.209 3.334 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.916 15.341 3.194 1.00 0.00 H new ATOM 781 N SER A 52 -4.942 15.584 6.474 1.00 0.00 N ATOM 782 CA SER A 52 -5.876 14.746 7.225 1.00 0.00 C ATOM 783 C SER A 52 -7.131 14.447 6.396 1.00 0.00 C ATOM 784 O SER A 52 -8.249 14.430 6.917 1.00 0.00 O ATOM 785 CB SER A 52 -6.254 15.422 8.549 1.00 0.00 C ATOM 786 OG SER A 52 -6.548 14.462 9.549 1.00 0.00 O ATOM 0 H SER A 52 -4.072 15.117 6.218 1.00 0.00 H new ATOM 0 HA SER A 52 -5.383 13.799 7.446 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.434 16.059 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.118 16.068 8.397 1.00 0.00 H new ATOM 0 HG SER A 52 -6.784 14.920 10.383 1.00 0.00 H new ATOM 792 N LEU A 53 -6.931 14.207 5.099 1.00 0.00 N ATOM 793 CA LEU A 53 -8.030 13.904 4.189 1.00 0.00 C ATOM 794 C LEU A 53 -8.317 12.403 4.169 1.00 0.00 C ATOM 795 O LEU A 53 -7.400 11.589 4.036 1.00 0.00 O ATOM 796 CB LEU A 53 -7.693 14.401 2.779 1.00 0.00 C ATOM 797 CG LEU A 53 -8.781 14.182 1.726 1.00 0.00 C ATOM 798 CD1 LEU A 53 -9.746 15.356 1.702 1.00 0.00 C ATOM 799 CD2 LEU A 53 -8.156 13.972 0.354 1.00 0.00 C ATOM 0 H LEU A 53 -6.012 14.217 4.656 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.925 14.417 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.472 15.467 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.783 13.903 2.445 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.342 13.286 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.512 15.182 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.217 15.460 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.202 16.269 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.943 13.818 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.571 14.851 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.506 13.097 0.380 1.00 0.00 H new ATOM 811 N MET A 54 -9.594 12.044 4.304 1.00 0.00 N ATOM 812 CA MET A 54 -10.001 10.640 4.304 1.00 0.00 C ATOM 813 C MET A 54 -10.198 10.137 2.875 1.00 0.00 C ATOM 814 O MET A 54 -10.971 10.712 2.106 1.00 0.00 O ATOM 815 CB MET A 54 -11.294 10.454 5.110 1.00 0.00 C ATOM 816 CG MET A 54 -11.084 10.417 6.617 1.00 0.00 C ATOM 817 SD MET A 54 -12.620 10.143 7.524 1.00 0.00 S ATOM 818 CE MET A 54 -11.990 9.769 9.159 1.00 0.00 C ATOM 0 H MET A 54 -10.363 12.705 4.415 1.00 0.00 H new ATOM 0 HA MET A 54 -9.209 10.057 4.773 1.00 0.00 H new ATOM 0 HB2 MET A 54 -11.980 11.266 4.869 1.00 0.00 H new ATOM 0 HB3 MET A 54 -11.775 9.527 4.798 1.00 0.00 H new ATOM 0 HG2 MET A 54 -10.375 9.626 6.862 1.00 0.00 H new ATOM 0 HG3 MET A 54 -10.637 11.357 6.941 1.00 0.00 H new ATOM 0 HE1 MET A 54 -12.823 9.576 9.835 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.351 8.887 9.110 1.00 0.00 H new ATOM 0 HE3 MET A 54 -11.412 10.616 9.529 1.00 0.00 H new ATOM 828 N ILE A 55 -9.488 9.063 2.525 1.00 0.00 N ATOM 829 CA ILE A 55 -9.579 8.483 1.185 1.00 0.00 C ATOM 830 C ILE A 55 -9.718 6.962 1.238 1.00 0.00 C ATOM 831 O ILE A 55 -9.103 6.300 2.078 1.00 0.00 O ATOM 832 CB ILE A 55 -8.350 8.849 0.324 1.00 0.00 C ATOM 833 CG1 ILE A 55 -7.053 8.399 1.009 1.00 0.00 C ATOM 834 CG2 ILE A 55 -8.326 10.346 0.044 1.00 0.00 C ATOM 835 CD1 ILE A 55 -6.552 7.051 0.529 1.00 0.00 C ATOM 0 H ILE A 55 -8.844 8.578 3.150 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.473 8.905 0.726 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.426 8.324 -0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.281 9.148 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.217 8.355 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.454 10.589 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.232 10.631 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.275 10.892 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.632 6.796 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.307 6.290 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.356 7.096 -0.542 1.00 0.00 H new ATOM 847 N ASP A 56 -10.533 6.420 0.332 1.00 0.00 N ATOM 848 CA ASP A 56 -10.767 4.977 0.262 1.00 0.00 C ATOM 849 C ASP A 56 -10.040 4.371 -0.936 1.00 0.00 C ATOM 850 O ASP A 56 -10.552 4.389 -2.058 1.00 0.00 O ATOM 851 CB ASP A 56 -12.270 4.675 0.153 1.00 0.00 C ATOM 852 CG ASP A 56 -13.098 5.334 1.243 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.000 6.568 1.403 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.854 4.616 1.929 1.00 0.00 O ATOM 0 H ASP A 56 -11.044 6.961 -0.366 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.379 4.532 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.631 5.010 -0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.420 3.596 0.195 1.00 0.00 H new ATOM 859 N VAL A 57 -8.845 3.837 -0.695 1.00 0.00 N ATOM 860 CA VAL A 57 -8.056 3.229 -1.763 1.00 0.00 C ATOM 861 C VAL A 57 -8.475 1.779 -2.000 1.00 0.00 C ATOM 862 O VAL A 57 -8.726 1.028 -1.053 1.00 0.00 O ATOM 863 CB VAL A 57 -6.540 3.280 -1.465 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.196 2.458 -0.228 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.744 2.801 -2.675 1.00 0.00 C ATOM 0 H VAL A 57 -8.404 3.813 0.224 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.250 3.813 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.267 4.315 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.123 2.512 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.734 2.854 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.485 1.419 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.678 2.843 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.025 1.775 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.959 3.443 -3.529 1.00 0.00 H new ATOM 875 N VAL A 58 -8.543 1.393 -3.273 1.00 0.00 N ATOM 876 CA VAL A 58 -8.923 0.036 -3.646 1.00 0.00 C ATOM 877 C VAL A 58 -7.734 -0.718 -4.242 1.00 0.00 C ATOM 878 O VAL A 58 -7.128 -0.274 -5.221 1.00 0.00 O ATOM 879 CB VAL A 58 -10.106 0.031 -4.644 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.737 0.729 -5.947 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.579 -1.392 -4.906 1.00 0.00 C ATOM 0 H VAL A 58 -8.339 2.004 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.243 -0.472 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.926 0.589 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.590 0.708 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.463 1.764 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.893 0.216 -6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.411 -1.375 -5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.760 -1.976 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.905 -1.845 -3.970 1.00 0.00 H new ATOM 891 N PHE A 59 -7.400 -1.857 -3.636 1.00 0.00 N ATOM 892 CA PHE A 59 -6.281 -2.676 -4.094 1.00 0.00 C ATOM 893 C PHE A 59 -6.706 -4.135 -4.274 1.00 0.00 C ATOM 894 O PHE A 59 -7.850 -4.496 -3.986 1.00 0.00 O ATOM 895 CB PHE A 59 -5.116 -2.580 -3.101 1.00 0.00 C ATOM 896 CG PHE A 59 -5.499 -2.897 -1.680 1.00 0.00 C ATOM 897 CD1 PHE A 59 -5.583 -4.212 -1.246 1.00 0.00 C ATOM 898 CD2 PHE A 59 -5.771 -1.880 -0.778 1.00 0.00 C ATOM 899 CE1 PHE A 59 -5.932 -4.505 0.058 1.00 0.00 C ATOM 900 CE2 PHE A 59 -6.121 -2.168 0.528 1.00 0.00 C ATOM 901 CZ PHE A 59 -6.201 -3.482 0.946 1.00 0.00 C ATOM 0 H PHE A 59 -7.891 -2.233 -2.825 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.954 -2.297 -5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.326 -3.263 -3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.701 -1.573 -3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.373 -5.016 -1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.709 -0.851 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.994 -5.533 0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.332 -1.367 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.474 -3.709 1.966 1.00 0.00 H new ATOM 911 N ASP A 60 -5.779 -4.968 -4.754 1.00 0.00 N ATOM 912 CA ASP A 60 -6.058 -6.388 -4.975 1.00 0.00 C ATOM 913 C ASP A 60 -5.165 -7.277 -4.110 1.00 0.00 C ATOM 914 O ASP A 60 -4.137 -6.830 -3.598 1.00 0.00 O ATOM 915 CB ASP A 60 -5.863 -6.744 -6.451 1.00 0.00 C ATOM 916 CG ASP A 60 -6.748 -7.895 -6.883 1.00 0.00 C ATOM 917 OD1 ASP A 60 -7.956 -7.664 -7.099 1.00 0.00 O ATOM 918 OD2 ASP A 60 -6.235 -9.029 -6.997 1.00 0.00 O ATOM 0 H ASP A 60 -4.830 -4.683 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.095 -6.567 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.080 -5.870 -7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.819 -7.005 -6.625 1.00 0.00 H new ATOM 923 N LYS A 61 -5.565 -8.542 -3.962 1.00 0.00 N ATOM 924 CA LYS A 61 -4.803 -9.507 -3.169 1.00 0.00 C ATOM 925 C LYS A 61 -3.738 -10.203 -4.021 1.00 0.00 C ATOM 926 O LYS A 61 -2.671 -10.560 -3.517 1.00 0.00 O ATOM 927 CB LYS A 61 -5.741 -10.549 -2.553 1.00 0.00 C ATOM 928 CG LYS A 61 -6.479 -10.048 -1.321 1.00 0.00 C ATOM 929 CD LYS A 61 -6.917 -11.196 -0.425 1.00 0.00 C ATOM 930 CE LYS A 61 -8.061 -10.786 0.490 1.00 0.00 C ATOM 931 NZ LYS A 61 -9.040 -11.891 0.695 1.00 0.00 N ATOM 0 H LYS A 61 -6.414 -8.922 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.301 -8.961 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.470 -10.858 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.163 -11.434 -2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.834 -9.373 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.352 -9.472 -1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.227 -12.041 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.072 -11.532 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.659 -10.475 1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.573 -9.923 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.802 -11.567 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.444 -12.172 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.558 -12.706 1.125 1.00 0.00 H new ATOM 945 N GLU A 62 -4.033 -10.391 -5.312 1.00 0.00 N ATOM 946 CA GLU A 62 -3.097 -11.042 -6.230 1.00 0.00 C ATOM 947 C GLU A 62 -1.781 -10.266 -6.306 1.00 0.00 C ATOM 948 O GLU A 62 -0.708 -10.826 -6.077 1.00 0.00 O ATOM 949 CB GLU A 62 -3.710 -11.166 -7.631 1.00 0.00 C ATOM 950 CG GLU A 62 -3.381 -12.484 -8.321 1.00 0.00 C ATOM 951 CD GLU A 62 -4.553 -13.071 -9.090 1.00 0.00 C ATOM 952 OE1 GLU A 62 -5.669 -13.129 -8.529 1.00 0.00 O ATOM 953 OE2 GLU A 62 -4.351 -13.480 -10.253 1.00 0.00 O ATOM 0 H GLU A 62 -4.911 -10.102 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.892 -12.041 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.793 -11.064 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.354 -10.342 -8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.548 -12.329 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.049 -13.204 -7.573 1.00 0.00 H new ATOM 960 N ASP A 63 -1.875 -8.973 -6.620 1.00 0.00 N ATOM 961 CA ASP A 63 -0.690 -8.121 -6.717 1.00 0.00 C ATOM 962 C ASP A 63 0.039 -8.054 -5.377 1.00 0.00 C ATOM 963 O ASP A 63 1.263 -8.164 -5.326 1.00 0.00 O ATOM 964 CB ASP A 63 -1.067 -6.710 -7.175 1.00 0.00 C ATOM 965 CG ASP A 63 0.070 -6.020 -7.906 1.00 0.00 C ATOM 966 OD1 ASP A 63 0.319 -6.365 -9.080 1.00 0.00 O ATOM 967 OD2 ASP A 63 0.714 -5.136 -7.301 1.00 0.00 O ATOM 0 H ASP A 63 -2.756 -8.495 -6.811 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.024 -8.562 -7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.938 -6.763 -7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.354 -6.114 -6.309 1.00 0.00 H new ATOM 972 N LEU A 64 -0.722 -7.880 -4.295 1.00 0.00 N ATOM 973 CA LEU A 64 -0.142 -7.809 -2.956 1.00 0.00 C ATOM 974 C LEU A 64 0.652 -9.077 -2.640 1.00 0.00 C ATOM 975 O LEU A 64 1.735 -9.008 -2.062 1.00 0.00 O ATOM 976 CB LEU A 64 -1.237 -7.602 -1.904 1.00 0.00 C ATOM 977 CG LEU A 64 -0.913 -6.556 -0.834 1.00 0.00 C ATOM 978 CD1 LEU A 64 -2.152 -5.749 -0.480 1.00 0.00 C ATOM 979 CD2 LEU A 64 -0.333 -7.224 0.405 1.00 0.00 C ATOM 0 H LEU A 64 -1.737 -7.786 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 64 0.537 -6.957 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.157 -7.309 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.433 -8.555 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.166 -5.872 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.900 -5.011 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.521 -5.240 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.924 -6.417 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.108 -6.466 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.057 -7.932 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.582 -7.753 0.139 1.00 0.00 H new ATOM 991 N ALA A 65 0.106 -10.233 -3.028 1.00 0.00 N ATOM 992 CA ALA A 65 0.767 -11.517 -2.790 1.00 0.00 C ATOM 993 C ALA A 65 2.010 -11.672 -3.669 1.00 0.00 C ATOM 994 O ALA A 65 3.032 -12.194 -3.222 1.00 0.00 O ATOM 995 CB ALA A 65 -0.201 -12.669 -3.034 1.00 0.00 C ATOM 0 H ALA A 65 -0.791 -10.305 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 65 1.086 -11.541 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.307 -13.616 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.052 -12.579 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.552 -12.637 -4.066 1.00 0.00 H new ATOM 1001 N GLU A 66 1.911 -11.218 -4.921 1.00 0.00 N ATOM 1002 CA GLU A 66 3.024 -11.308 -5.868 1.00 0.00 C ATOM 1003 C GLU A 66 4.156 -10.348 -5.496 1.00 0.00 C ATOM 1004 O GLU A 66 5.331 -10.704 -5.587 1.00 0.00 O ATOM 1005 CB GLU A 66 2.539 -11.014 -7.291 1.00 0.00 C ATOM 1006 CG GLU A 66 1.762 -12.163 -7.921 1.00 0.00 C ATOM 1007 CD GLU A 66 0.861 -11.717 -9.060 1.00 0.00 C ATOM 1008 OE1 GLU A 66 1.266 -10.820 -9.832 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -0.249 -12.272 -9.184 1.00 0.00 O ATOM 0 H GLU A 66 1.070 -10.784 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 66 3.413 -12.325 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.908 -10.126 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.400 -10.782 -7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.465 -12.909 -8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.157 -12.648 -7.155 1.00 0.00 H new ATOM 1016 N TYR A 67 3.798 -9.132 -5.079 1.00 0.00 N ATOM 1017 CA TYR A 67 4.791 -8.126 -4.696 1.00 0.00 C ATOM 1018 C TYR A 67 5.725 -8.648 -3.600 1.00 0.00 C ATOM 1019 O TYR A 67 6.891 -8.256 -3.538 1.00 0.00 O ATOM 1020 CB TYR A 67 4.106 -6.842 -4.224 1.00 0.00 C ATOM 1021 CG TYR A 67 4.866 -5.577 -4.574 1.00 0.00 C ATOM 1022 CD1 TYR A 67 4.721 -4.977 -5.819 1.00 0.00 C ATOM 1023 CD2 TYR A 67 5.721 -4.979 -3.655 1.00 0.00 C ATOM 1024 CE1 TYR A 67 5.406 -3.818 -6.138 1.00 0.00 C ATOM 1025 CE2 TYR A 67 6.410 -3.821 -3.967 1.00 0.00 C ATOM 1026 CZ TYR A 67 6.248 -3.244 -5.209 1.00 0.00 C ATOM 1027 OH TYR A 67 6.929 -2.087 -5.522 1.00 0.00 O ATOM 0 H TYR A 67 2.830 -8.820 -4.998 1.00 0.00 H new ATOM 0 HA TYR A 67 5.389 -7.907 -5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.110 -6.790 -4.664 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.974 -6.888 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.063 -5.423 -6.550 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.849 -5.427 -2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.282 -3.365 -7.110 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.072 -3.371 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 67 7.478 -1.814 -4.758 1.00 0.00 H new ATOM 1037 N TYR A 68 5.214 -9.533 -2.739 1.00 0.00 N ATOM 1038 CA TYR A 68 6.021 -10.102 -1.657 1.00 0.00 C ATOM 1039 C TYR A 68 7.243 -10.828 -2.222 1.00 0.00 C ATOM 1040 O TYR A 68 8.325 -10.787 -1.634 1.00 0.00 O ATOM 1041 CB TYR A 68 5.186 -11.060 -0.799 1.00 0.00 C ATOM 1042 CG TYR A 68 4.395 -10.375 0.301 1.00 0.00 C ATOM 1043 CD1 TYR A 68 3.658 -9.226 0.041 1.00 0.00 C ATOM 1044 CD2 TYR A 68 4.377 -10.883 1.596 1.00 0.00 C ATOM 1045 CE1 TYR A 68 2.927 -8.604 1.034 1.00 0.00 C ATOM 1046 CE2 TYR A 68 3.649 -10.264 2.596 1.00 0.00 C ATOM 1047 CZ TYR A 68 2.926 -9.126 2.309 1.00 0.00 C ATOM 1048 OH TYR A 68 2.196 -8.511 3.300 1.00 0.00 O ATOM 0 H TYR A 68 4.251 -9.869 -2.770 1.00 0.00 H new ATOM 0 HA TYR A 68 6.363 -9.282 -1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.495 -11.602 -1.445 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.848 -11.800 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.657 -8.812 -0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.941 -11.775 1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.359 -7.713 0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.647 -10.670 3.597 1.00 0.00 H new ATOM 0 HH TYR A 68 1.541 -7.905 2.895 1.00 0.00 H new ATOM 1058 N GLU A 69 7.065 -11.480 -3.372 1.00 0.00 N ATOM 1059 CA GLU A 69 8.154 -12.202 -4.026 1.00 0.00 C ATOM 1060 C GLU A 69 8.937 -11.279 -4.964 1.00 0.00 C ATOM 1061 O GLU A 69 10.156 -11.401 -5.090 1.00 0.00 O ATOM 1062 CB GLU A 69 7.609 -13.396 -4.813 1.00 0.00 C ATOM 1063 CG GLU A 69 8.513 -14.618 -4.765 1.00 0.00 C ATOM 1064 CD GLU A 69 7.935 -15.803 -5.515 1.00 0.00 C ATOM 1065 OE1 GLU A 69 8.094 -15.858 -6.753 1.00 0.00 O ATOM 1066 OE2 GLU A 69 7.324 -16.676 -4.863 1.00 0.00 O ATOM 0 H GLU A 69 6.175 -11.522 -3.869 1.00 0.00 H new ATOM 0 HA GLU A 69 8.828 -12.564 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.629 -13.664 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.465 -13.101 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.484 -14.363 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.683 -14.899 -3.726 1.00 0.00 H new ATOM 1073 N GLU A 70 8.226 -10.362 -5.624 1.00 0.00 N ATOM 1074 CA GLU A 70 8.850 -9.421 -6.557 1.00 0.00 C ATOM 1075 C GLU A 70 9.787 -8.449 -5.835 1.00 0.00 C ATOM 1076 O GLU A 70 10.814 -8.046 -6.383 1.00 0.00 O ATOM 1077 CB GLU A 70 7.780 -8.632 -7.320 1.00 0.00 C ATOM 1078 CG GLU A 70 6.900 -9.495 -8.210 1.00 0.00 C ATOM 1079 CD GLU A 70 7.381 -9.533 -9.649 1.00 0.00 C ATOM 1080 OE1 GLU A 70 8.500 -10.036 -9.888 1.00 0.00 O ATOM 1081 OE2 GLU A 70 6.639 -9.061 -10.535 1.00 0.00 O ATOM 0 H GLU A 70 7.216 -10.251 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 70 9.441 -10.006 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.150 -8.105 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.268 -7.874 -7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.873 -10.510 -7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.879 -9.115 -8.182 1.00 0.00 H new ATOM 1088 N ALA A 71 9.426 -8.071 -4.607 1.00 0.00 N ATOM 1089 CA ALA A 71 10.235 -7.146 -3.821 1.00 0.00 C ATOM 1090 C ALA A 71 11.566 -7.778 -3.420 1.00 0.00 C ATOM 1091 O ALA A 71 11.637 -8.976 -3.134 1.00 0.00 O ATOM 1092 CB ALA A 71 9.470 -6.684 -2.588 1.00 0.00 C ATOM 0 H ALA A 71 8.579 -8.393 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 71 10.451 -6.278 -4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.088 -5.995 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.554 -6.179 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.219 -7.547 -1.971 1.00 0.00 H new