USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 76 GLN : amide:sc= -0.0246 X(o=1.6,f=1.8) USER MOD Set 1.2: A 83 CYS SG : rot 34:sc= 0.784 USER MOD Set 1.3: A 85 TYR OH : rot 142:sc= 0.792 USER MOD Single : A 1 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=-0.028) USER MOD Single : A 1 HIS N :NH3+ -177:sc= 0 (180deg=-0.0276) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.092 K(o=0.092,f=-0.43) USER MOD Single : A 12 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.33) USER MOD Single : A 16 HIS : no HE2:sc= 0.0555 K(o=0.055,f=-0.49) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -26:sc= 1.22 USER MOD Single : A 24 MET CE :methyl -128:sc= -0.0429 (180deg=-0.443) USER MOD Single : A 27 CYS SG : rot 90:sc= -4.17! USER MOD Single : A 39 TYR OH : rot -103:sc= 0.245 USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= 0.931 (180deg=0.406) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 48 SER OG : rot -101:sc= 0.054 USER MOD Single : A 55 ASN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 67 THR OG1 : rot 74:sc= 0.346 USER MOD Single : A 68 GLN : amide:sc= -0.0593 X(o=-0.059,f=-0.42) USER MOD Single : A 70 SER OG : rot 69:sc= 0.168 USER MOD Single : A 77 CYS SG : rot -85:sc= -0.427 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 136:sc= 0.422 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -19.621 -14.540 -3.123 1.00 52.04 N ATOM 2 CA HIS A 1 -19.400 -15.753 -2.287 1.00 33.42 C ATOM 3 C HIS A 1 -17.939 -15.806 -1.772 1.00 2.32 C ATOM 4 O HIS A 1 -17.701 -15.779 -0.561 1.00 44.41 O ATOM 5 CB HIS A 1 -19.753 -17.038 -3.082 1.00 64.40 C ATOM 6 CG HIS A 1 -21.184 -17.097 -3.559 1.00 60.20 C ATOM 7 ND1 HIS A 1 -22.221 -17.552 -2.776 1.00 2.45 N ATOM 8 CD2 HIS A 1 -21.747 -16.754 -4.748 1.00 60.23 C ATOM 9 CE1 HIS A 1 -23.348 -17.486 -3.451 1.00 33.22 C ATOM 10 NE2 HIS A 1 -23.093 -17.005 -4.645 1.00 64.03 N ATOM 0 H1 HIS A 1 -20.618 -14.497 -3.416 1.00 52.04 H new ATOM 0 H2 HIS A 1 -19.385 -13.690 -2.571 1.00 52.04 H new ATOM 0 H3 HIS A 1 -19.014 -14.584 -3.966 1.00 52.04 H new ATOM 0 HA HIS A 1 -20.061 -15.697 -1.422 1.00 33.42 H new ATOM 0 HB2 HIS A 1 -19.091 -17.111 -3.945 1.00 64.40 H new ATOM 0 HB3 HIS A 1 -19.555 -17.906 -2.454 1.00 64.40 H new ATOM 0 HD2 HIS A 1 -21.232 -16.358 -5.611 1.00 60.23 H new ATOM 0 HE1 HIS A 1 -24.321 -17.779 -3.084 1.00 33.22 H new ATOM 0 HE2 HIS A 1 -23.783 -16.844 -5.378 1.00 64.03 H new ATOM 19 N MET A 2 -16.956 -15.872 -2.702 1.00 5.21 N ATOM 20 CA MET A 2 -15.502 -15.919 -2.360 1.00 54.11 C ATOM 21 C MET A 2 -14.744 -14.716 -3.001 1.00 14.04 C ATOM 22 O MET A 2 -14.188 -14.837 -4.100 1.00 25.15 O ATOM 23 CB MET A 2 -14.884 -17.277 -2.811 1.00 72.14 C ATOM 24 CG MET A 2 -15.508 -18.510 -2.142 1.00 20.24 C ATOM 25 SD MET A 2 -14.778 -20.058 -2.723 1.00 11.22 S ATOM 26 CE MET A 2 -15.714 -21.274 -1.791 1.00 1.42 C ATOM 0 H MET A 2 -17.140 -15.894 -3.705 1.00 5.21 H new ATOM 0 HA MET A 2 -15.397 -15.839 -1.278 1.00 54.11 H new ATOM 0 HB2 MET A 2 -14.992 -17.371 -3.892 1.00 72.14 H new ATOM 0 HB3 MET A 2 -13.815 -17.265 -2.598 1.00 72.14 H new ATOM 0 HG2 MET A 2 -15.382 -18.436 -1.062 1.00 20.24 H new ATOM 0 HG3 MET A 2 -16.580 -18.522 -2.338 1.00 20.24 H new ATOM 0 HE1 MET A 2 -15.369 -22.275 -2.050 1.00 1.42 H new ATOM 0 HE2 MET A 2 -15.569 -21.105 -0.724 1.00 1.42 H new ATOM 0 HE3 MET A 2 -16.773 -21.181 -2.033 1.00 1.42 H new ATOM 36 N PRO A 3 -14.749 -13.510 -2.336 1.00 74.41 N ATOM 37 CA PRO A 3 -14.088 -12.288 -2.852 1.00 63.13 C ATOM 38 C PRO A 3 -12.631 -12.099 -2.339 1.00 62.42 C ATOM 39 O PRO A 3 -12.165 -12.832 -1.461 1.00 41.44 O ATOM 40 CB PRO A 3 -15.037 -11.195 -2.322 1.00 21.41 C ATOM 41 CG PRO A 3 -15.517 -11.711 -0.988 1.00 21.35 C ATOM 42 CD PRO A 3 -15.409 -13.230 -1.032 1.00 21.04 C ATOM 0 HA PRO A 3 -13.955 -12.294 -3.934 1.00 63.13 H new ATOM 0 HB2 PRO A 3 -14.520 -10.241 -2.214 1.00 21.41 H new ATOM 0 HB3 PRO A 3 -15.870 -11.030 -3.005 1.00 21.41 H new ATOM 0 HG2 PRO A 3 -14.912 -11.305 -0.177 1.00 21.35 H new ATOM 0 HG3 PRO A 3 -16.546 -11.403 -0.803 1.00 21.35 H new ATOM 0 HD2 PRO A 3 -14.821 -13.612 -0.198 1.00 21.04 H new ATOM 0 HD3 PRO A 3 -16.390 -13.701 -0.973 1.00 21.04 H new ATOM 50 N VAL A 4 -11.930 -11.095 -2.893 1.00 60.40 N ATOM 51 CA VAL A 4 -10.500 -10.834 -2.582 1.00 10.10 C ATOM 52 C VAL A 4 -10.296 -10.155 -1.195 1.00 73.31 C ATOM 53 O VAL A 4 -10.900 -9.122 -0.882 1.00 32.52 O ATOM 54 CB VAL A 4 -9.819 -9.981 -3.716 1.00 5.12 C ATOM 55 CG1 VAL A 4 -10.591 -8.676 -3.999 1.00 60.23 C ATOM 56 CG2 VAL A 4 -8.329 -9.698 -3.394 1.00 65.02 C ATOM 0 H VAL A 4 -12.329 -10.441 -3.566 1.00 60.40 H new ATOM 0 HA VAL A 4 -10.016 -11.809 -2.534 1.00 10.10 H new ATOM 0 HB VAL A 4 -9.853 -10.577 -4.628 1.00 5.12 H new ATOM 0 HG11 VAL A 4 -10.086 -8.118 -4.788 1.00 60.23 H new ATOM 0 HG12 VAL A 4 -11.606 -8.915 -4.316 1.00 60.23 H new ATOM 0 HG13 VAL A 4 -10.627 -8.071 -3.093 1.00 60.23 H new ATOM 0 HG21 VAL A 4 -7.889 -9.107 -4.197 1.00 65.02 H new ATOM 0 HG22 VAL A 4 -8.258 -9.146 -2.457 1.00 65.02 H new ATOM 0 HG23 VAL A 4 -7.791 -10.642 -3.301 1.00 65.02 H new ATOM 66 N HIS A 5 -9.414 -10.760 -0.381 1.00 24.14 N ATOM 67 CA HIS A 5 -9.077 -10.294 0.984 1.00 65.13 C ATOM 68 C HIS A 5 -7.599 -9.840 1.059 1.00 54.31 C ATOM 69 O HIS A 5 -6.745 -10.357 0.337 1.00 44.14 O ATOM 70 CB HIS A 5 -9.327 -11.429 2.017 1.00 2.42 C ATOM 71 CG HIS A 5 -10.669 -12.102 1.875 1.00 12.42 C ATOM 72 ND1 HIS A 5 -11.869 -11.453 2.077 1.00 14.23 N ATOM 73 CD2 HIS A 5 -10.991 -13.368 1.511 1.00 44.42 C ATOM 74 CE1 HIS A 5 -12.861 -12.286 1.845 1.00 15.12 C ATOM 75 NE2 HIS A 5 -12.359 -13.451 1.501 1.00 43.52 N ATOM 0 H HIS A 5 -8.905 -11.601 -0.653 1.00 24.14 H new ATOM 0 HA HIS A 5 -9.718 -9.444 1.220 1.00 65.13 H new ATOM 0 HB2 HIS A 5 -8.543 -12.179 1.914 1.00 2.42 H new ATOM 0 HB3 HIS A 5 -9.243 -11.016 3.022 1.00 2.42 H new ATOM 0 HD1 HIS A 5 -11.972 -10.479 2.362 1.00 14.23 H new ATOM 0 HD2 HIS A 5 -10.299 -14.162 1.273 1.00 44.42 H new ATOM 0 HE1 HIS A 5 -13.912 -12.051 1.924 1.00 15.12 H new ATOM 84 N ILE A 6 -7.311 -8.887 1.957 1.00 51.14 N ATOM 85 CA ILE A 6 -5.947 -8.380 2.197 1.00 2.15 C ATOM 86 C ILE A 6 -5.311 -9.133 3.386 1.00 12.44 C ATOM 87 O ILE A 6 -5.765 -9.008 4.531 1.00 70.10 O ATOM 88 CB ILE A 6 -5.964 -6.828 2.463 1.00 22.22 C ATOM 89 CG1 ILE A 6 -6.503 -6.076 1.208 1.00 51.31 C ATOM 90 CG2 ILE A 6 -4.565 -6.297 2.858 1.00 63.52 C ATOM 91 CD1 ILE A 6 -6.633 -4.573 1.367 1.00 51.42 C ATOM 0 H ILE A 6 -8.019 -8.442 2.541 1.00 51.14 H new ATOM 0 HA ILE A 6 -5.345 -8.557 1.306 1.00 2.15 H new ATOM 0 HB ILE A 6 -6.631 -6.640 3.305 1.00 22.22 H new ATOM 0 HG12 ILE A 6 -5.840 -6.281 0.368 1.00 51.31 H new ATOM 0 HG13 ILE A 6 -7.480 -6.485 0.950 1.00 51.31 H new ATOM 0 HG21 ILE A 6 -4.620 -5.223 3.033 1.00 63.52 H new ATOM 0 HG22 ILE A 6 -4.230 -6.796 3.767 1.00 63.52 H new ATOM 0 HG23 ILE A 6 -3.859 -6.498 2.052 1.00 63.52 H new ATOM 0 HD11 ILE A 6 -7.015 -4.141 0.442 1.00 51.42 H new ATOM 0 HD12 ILE A 6 -7.322 -4.352 2.182 1.00 51.42 H new ATOM 0 HD13 ILE A 6 -5.656 -4.145 1.591 1.00 51.42 H new ATOM 103 N VAL A 7 -4.271 -9.930 3.091 1.00 71.12 N ATOM 104 CA VAL A 7 -3.534 -10.713 4.109 1.00 74.22 C ATOM 105 C VAL A 7 -2.496 -9.847 4.873 1.00 44.35 C ATOM 106 O VAL A 7 -2.047 -10.233 5.955 1.00 63.42 O ATOM 107 CB VAL A 7 -2.829 -11.966 3.463 1.00 42.20 C ATOM 108 CG1 VAL A 7 -3.877 -12.963 2.910 1.00 20.42 C ATOM 109 CG2 VAL A 7 -1.811 -11.558 2.364 1.00 11.22 C ATOM 0 H VAL A 7 -3.914 -10.053 2.143 1.00 71.12 H new ATOM 0 HA VAL A 7 -4.272 -11.061 4.832 1.00 74.22 H new ATOM 0 HB VAL A 7 -2.265 -12.464 4.252 1.00 42.20 H new ATOM 0 HG11 VAL A 7 -3.367 -13.820 2.469 1.00 20.42 H new ATOM 0 HG12 VAL A 7 -4.520 -13.302 3.722 1.00 20.42 H new ATOM 0 HG13 VAL A 7 -4.482 -12.470 2.149 1.00 20.42 H new ATOM 0 HG21 VAL A 7 -1.349 -12.452 1.946 1.00 11.22 H new ATOM 0 HG22 VAL A 7 -2.328 -11.013 1.574 1.00 11.22 H new ATOM 0 HG23 VAL A 7 -1.041 -10.921 2.800 1.00 11.22 H new ATOM 119 N ASP A 8 -2.113 -8.692 4.283 1.00 61.20 N ATOM 120 CA ASP A 8 -1.187 -7.718 4.909 1.00 71.22 C ATOM 121 C ASP A 8 -1.270 -6.332 4.203 1.00 61.42 C ATOM 122 O ASP A 8 -1.021 -6.252 3.012 1.00 61.10 O ATOM 123 CB ASP A 8 0.269 -8.253 4.863 1.00 4.24 C ATOM 124 CG ASP A 8 1.311 -7.238 5.369 1.00 30.14 C ATOM 125 OD1 ASP A 8 1.260 -6.860 6.564 1.00 71.24 O ATOM 126 OD2 ASP A 8 2.172 -6.791 4.575 1.00 52.22 O ATOM 0 H ASP A 8 -2.437 -8.408 3.359 1.00 61.20 H new ATOM 0 HA ASP A 8 -1.486 -7.589 5.949 1.00 71.22 H new ATOM 0 HB2 ASP A 8 0.334 -9.160 5.465 1.00 4.24 H new ATOM 0 HB3 ASP A 8 0.513 -8.532 3.838 1.00 4.24 H new ATOM 131 N PRO A 9 -1.621 -5.211 4.915 1.00 42.04 N ATOM 132 CA PRO A 9 -2.048 -5.219 6.328 1.00 12.03 C ATOM 133 C PRO A 9 -3.580 -5.431 6.505 1.00 43.14 C ATOM 134 O PRO A 9 -4.404 -4.754 5.886 1.00 21.15 O ATOM 135 CB PRO A 9 -1.606 -3.825 6.813 1.00 23.23 C ATOM 136 CG PRO A 9 -1.780 -2.938 5.615 1.00 33.32 C ATOM 137 CD PRO A 9 -1.578 -3.818 4.382 1.00 21.25 C ATOM 0 HA PRO A 9 -1.613 -6.044 6.892 1.00 12.03 H new ATOM 0 HB2 PRO A 9 -2.215 -3.485 7.651 1.00 23.23 H new ATOM 0 HB3 PRO A 9 -0.571 -3.833 7.154 1.00 23.23 H new ATOM 0 HG2 PRO A 9 -2.772 -2.486 5.609 1.00 33.32 H new ATOM 0 HG3 PRO A 9 -1.058 -2.122 5.630 1.00 33.32 H new ATOM 0 HD2 PRO A 9 -2.360 -3.651 3.641 1.00 21.25 H new ATOM 0 HD3 PRO A 9 -0.626 -3.608 3.894 1.00 21.25 H new ATOM 145 N ARG A 10 -3.938 -6.399 7.353 1.00 42.41 N ATOM 146 CA ARG A 10 -5.325 -6.594 7.834 1.00 65.33 C ATOM 147 C ARG A 10 -5.716 -5.471 8.857 1.00 71.34 C ATOM 148 O ARG A 10 -6.893 -5.226 9.117 1.00 14.31 O ATOM 149 CB ARG A 10 -5.423 -8.029 8.444 1.00 1.33 C ATOM 150 CG ARG A 10 -6.681 -8.360 9.283 1.00 62.05 C ATOM 151 CD ARG A 10 -8.009 -8.285 8.505 1.00 71.43 C ATOM 152 NE ARG A 10 -9.168 -8.538 9.391 1.00 2.15 N ATOM 153 CZ ARG A 10 -10.414 -8.193 9.149 1.00 43.30 C ATOM 154 NH1 ARG A 10 -10.752 -7.592 8.057 1.00 63.11 N ATOM 155 NH2 ARG A 10 -11.328 -8.459 10.016 1.00 51.45 N ATOM 0 H ARG A 10 -3.277 -7.077 7.732 1.00 42.41 H new ATOM 0 HA ARG A 10 -6.039 -6.513 7.014 1.00 65.33 H new ATOM 0 HB2 ARG A 10 -5.364 -8.748 7.627 1.00 1.33 H new ATOM 0 HB3 ARG A 10 -4.547 -8.189 9.072 1.00 1.33 H new ATOM 0 HG2 ARG A 10 -6.573 -9.363 9.695 1.00 62.05 H new ATOM 0 HG3 ARG A 10 -6.730 -7.672 10.127 1.00 62.05 H new ATOM 0 HD2 ARG A 10 -8.108 -7.302 8.045 1.00 71.43 H new ATOM 0 HD3 ARG A 10 -8.001 -9.016 7.696 1.00 71.43 H new ATOM 0 HE ARG A 10 -8.983 -9.024 10.269 1.00 2.15 H new ATOM 0 HH11 ARG A 10 -10.045 -7.373 7.355 1.00 63.11 H new ATOM 0 HH12 ARG A 10 -11.726 -7.336 7.896 1.00 63.11 H new ATOM 0 HH21 ARG A 10 -11.084 -8.935 10.885 1.00 51.45 H new ATOM 0 HH22 ARG A 10 -12.296 -8.194 9.834 1.00 51.45 H new ATOM 169 N GLU A 11 -4.699 -4.761 9.384 1.00 60.42 N ATOM 170 CA GLU A 11 -4.858 -3.717 10.424 1.00 13.12 C ATOM 171 C GLU A 11 -4.517 -2.295 9.893 1.00 33.34 C ATOM 172 O GLU A 11 -4.152 -2.114 8.723 1.00 71.30 O ATOM 173 CB GLU A 11 -3.953 -4.085 11.624 1.00 22.43 C ATOM 174 CG GLU A 11 -2.454 -4.235 11.285 1.00 33.05 C ATOM 175 CD GLU A 11 -1.624 -4.693 12.491 1.00 32.22 C ATOM 176 OE1 GLU A 11 -1.722 -5.886 12.866 1.00 20.24 O ATOM 177 OE2 GLU A 11 -0.907 -3.870 13.096 1.00 11.42 O ATOM 0 H GLU A 11 -3.729 -4.896 9.097 1.00 60.42 H new ATOM 0 HA GLU A 11 -5.903 -3.685 10.731 1.00 13.12 H new ATOM 0 HB2 GLU A 11 -4.062 -3.319 12.391 1.00 22.43 H new ATOM 0 HB3 GLU A 11 -4.309 -5.021 12.055 1.00 22.43 H new ATOM 0 HG2 GLU A 11 -2.338 -4.954 10.474 1.00 33.05 H new ATOM 0 HG3 GLU A 11 -2.069 -3.281 10.924 1.00 33.05 H new ATOM 184 N HIS A 12 -4.638 -1.295 10.790 1.00 3.43 N ATOM 185 CA HIS A 12 -4.346 0.128 10.495 1.00 3.34 C ATOM 186 C HIS A 12 -2.885 0.466 10.896 1.00 72.45 C ATOM 187 O HIS A 12 -2.524 0.394 12.078 1.00 55.02 O ATOM 188 CB HIS A 12 -5.331 1.045 11.274 1.00 11.01 C ATOM 189 CG HIS A 12 -6.795 0.844 10.942 1.00 2.43 C ATOM 190 ND1 HIS A 12 -7.613 1.863 10.490 1.00 63.13 N ATOM 191 CD2 HIS A 12 -7.596 -0.249 11.040 1.00 34.42 C ATOM 192 CE1 HIS A 12 -8.838 1.407 10.333 1.00 32.30 C ATOM 193 NE2 HIS A 12 -8.853 0.135 10.659 1.00 54.51 N ATOM 0 H HIS A 12 -4.944 -1.452 11.750 1.00 3.43 H new ATOM 0 HA HIS A 12 -4.470 0.298 9.425 1.00 3.34 H new ATOM 0 HB2 HIS A 12 -5.190 0.879 12.342 1.00 11.01 H new ATOM 0 HB3 HIS A 12 -5.069 2.084 11.076 1.00 11.01 H new ATOM 0 HD2 HIS A 12 -7.297 -1.236 11.359 1.00 34.42 H new ATOM 0 HE1 HIS A 12 -9.687 1.982 9.994 1.00 32.30 H new ATOM 0 HE2 HIS A 12 -9.673 -0.471 10.632 1.00 54.51 H new ATOM 202 N VAL A 13 -2.058 0.822 9.901 1.00 24.14 N ATOM 203 CA VAL A 13 -0.631 1.167 10.100 1.00 34.31 C ATOM 204 C VAL A 13 -0.435 2.703 10.171 1.00 40.12 C ATOM 205 O VAL A 13 -0.874 3.431 9.277 1.00 34.32 O ATOM 206 CB VAL A 13 0.245 0.570 8.926 1.00 4.45 C ATOM 207 CG1 VAL A 13 1.742 0.968 9.049 1.00 64.14 C ATOM 208 CG2 VAL A 13 0.071 -0.972 8.837 1.00 74.21 C ATOM 0 H VAL A 13 -2.357 0.881 8.928 1.00 24.14 H new ATOM 0 HA VAL A 13 -0.309 0.733 11.047 1.00 34.31 H new ATOM 0 HB VAL A 13 -0.118 1.007 7.995 1.00 4.45 H new ATOM 0 HG11 VAL A 13 2.303 0.535 8.221 1.00 64.14 H new ATOM 0 HG12 VAL A 13 1.833 2.054 9.020 1.00 64.14 H new ATOM 0 HG13 VAL A 13 2.141 0.595 9.992 1.00 64.14 H new ATOM 0 HG21 VAL A 13 0.683 -1.361 8.023 1.00 74.21 H new ATOM 0 HG22 VAL A 13 0.384 -1.428 9.776 1.00 74.21 H new ATOM 0 HG23 VAL A 13 -0.976 -1.210 8.650 1.00 74.21 H new ATOM 218 N PHE A 14 0.216 3.189 11.247 1.00 72.32 N ATOM 219 CA PHE A 14 0.627 4.606 11.359 1.00 41.12 C ATOM 220 C PHE A 14 2.022 4.797 10.708 1.00 13.21 C ATOM 221 O PHE A 14 2.902 3.942 10.845 1.00 71.31 O ATOM 222 CB PHE A 14 0.640 5.075 12.843 1.00 3.53 C ATOM 223 CG PHE A 14 0.927 6.572 13.005 1.00 24.15 C ATOM 224 CD1 PHE A 14 -0.095 7.509 12.854 1.00 31.42 C ATOM 225 CD2 PHE A 14 2.214 7.040 13.283 1.00 32.02 C ATOM 226 CE1 PHE A 14 0.159 8.861 12.975 1.00 51.13 C ATOM 227 CE2 PHE A 14 2.465 8.391 13.406 1.00 1.43 C ATOM 228 CZ PHE A 14 1.437 9.302 13.253 1.00 21.14 C ATOM 0 H PHE A 14 0.470 2.620 12.054 1.00 72.32 H new ATOM 0 HA PHE A 14 -0.100 5.222 10.830 1.00 41.12 H new ATOM 0 HB2 PHE A 14 -0.324 4.846 13.297 1.00 3.53 H new ATOM 0 HB3 PHE A 14 1.393 4.507 13.389 1.00 3.53 H new ATOM 0 HD1 PHE A 14 -1.099 7.173 12.640 1.00 31.42 H new ATOM 0 HD2 PHE A 14 3.023 6.335 13.403 1.00 32.02 H new ATOM 0 HE1 PHE A 14 -0.643 9.574 12.852 1.00 51.13 H new ATOM 0 HE2 PHE A 14 3.465 8.737 13.622 1.00 1.43 H new ATOM 0 HZ PHE A 14 1.634 10.359 13.351 1.00 21.14 H new ATOM 238 N VAL A 15 2.207 5.936 10.012 1.00 0.12 N ATOM 239 CA VAL A 15 3.422 6.232 9.216 1.00 23.21 C ATOM 240 C VAL A 15 4.000 7.631 9.574 1.00 54.41 C ATOM 241 O VAL A 15 3.282 8.642 9.531 1.00 72.11 O ATOM 242 CB VAL A 15 3.103 6.182 7.668 1.00 54.01 C ATOM 243 CG1 VAL A 15 4.347 6.528 6.810 1.00 1.25 C ATOM 244 CG2 VAL A 15 2.507 4.810 7.256 1.00 5.12 C ATOM 0 H VAL A 15 1.514 6.684 9.984 1.00 0.12 H new ATOM 0 HA VAL A 15 4.163 5.470 9.458 1.00 23.21 H new ATOM 0 HB VAL A 15 2.350 6.946 7.474 1.00 54.01 H new ATOM 0 HG11 VAL A 15 4.084 6.482 5.753 1.00 1.25 H new ATOM 0 HG12 VAL A 15 4.690 7.533 7.055 1.00 1.25 H new ATOM 0 HG13 VAL A 15 5.143 5.812 7.018 1.00 1.25 H new ATOM 0 HG21 VAL A 15 2.299 4.810 6.186 1.00 5.12 H new ATOM 0 HG22 VAL A 15 3.221 4.019 7.487 1.00 5.12 H new ATOM 0 HG23 VAL A 15 1.582 4.636 7.805 1.00 5.12 H new ATOM 254 N HIS A 16 5.300 7.666 9.934 1.00 60.41 N ATOM 255 CA HIS A 16 6.081 8.920 10.071 1.00 3.23 C ATOM 256 C HIS A 16 6.608 9.349 8.679 1.00 61.32 C ATOM 257 O HIS A 16 7.204 8.533 7.970 1.00 73.14 O ATOM 258 CB HIS A 16 7.271 8.698 11.040 1.00 74.22 C ATOM 259 CG HIS A 16 8.134 9.922 11.260 1.00 75.44 C ATOM 260 ND1 HIS A 16 9.191 10.264 10.437 1.00 63.30 N ATOM 261 CD2 HIS A 16 8.085 10.886 12.210 1.00 41.02 C ATOM 262 CE1 HIS A 16 9.745 11.371 10.875 1.00 74.12 C ATOM 263 NE2 HIS A 16 9.096 11.770 11.946 1.00 3.13 N ATOM 0 H HIS A 16 5.841 6.826 10.139 1.00 60.41 H new ATOM 0 HA HIS A 16 5.440 9.704 10.474 1.00 3.23 H new ATOM 0 HB2 HIS A 16 6.883 8.364 12.002 1.00 74.22 H new ATOM 0 HB3 HIS A 16 7.895 7.893 10.651 1.00 74.22 H new ATOM 0 HD1 HIS A 16 9.493 9.738 9.617 1.00 63.30 H new ATOM 0 HD2 HIS A 16 7.379 10.946 13.025 1.00 41.02 H new ATOM 0 HE1 HIS A 16 10.593 11.870 10.429 1.00 74.12 H new ATOM 272 N ALA A 17 6.415 10.625 8.300 1.00 75.03 N ATOM 273 CA ALA A 17 6.813 11.122 6.963 1.00 5.31 C ATOM 274 C ALA A 17 7.357 12.567 7.011 1.00 72.15 C ATOM 275 O ALA A 17 6.792 13.437 7.668 1.00 71.03 O ATOM 276 CB ALA A 17 5.625 11.022 6.003 1.00 2.12 C ATOM 0 H ALA A 17 5.987 11.333 8.897 1.00 75.03 H new ATOM 0 HA ALA A 17 7.627 10.494 6.602 1.00 5.31 H new ATOM 0 HB1 ALA A 17 5.920 11.388 5.020 1.00 2.12 H new ATOM 0 HB2 ALA A 17 5.308 9.982 5.923 1.00 2.12 H new ATOM 0 HB3 ALA A 17 4.799 11.624 6.382 1.00 2.12 H new ATOM 282 N ILE A 18 8.490 12.791 6.335 1.00 52.11 N ATOM 283 CA ILE A 18 9.046 14.137 6.052 1.00 10.30 C ATOM 284 C ILE A 18 9.230 14.275 4.514 1.00 4.01 C ATOM 285 O ILE A 18 9.332 13.263 3.807 1.00 52.53 O ATOM 286 CB ILE A 18 10.428 14.361 6.807 1.00 72.10 C ATOM 287 CG1 ILE A 18 10.252 14.165 8.353 1.00 33.11 C ATOM 288 CG2 ILE A 18 11.062 15.749 6.502 1.00 34.52 C ATOM 289 CD1 ILE A 18 11.537 14.271 9.166 1.00 35.41 C ATOM 0 H ILE A 18 9.062 12.035 5.959 1.00 52.11 H new ATOM 0 HA ILE A 18 8.357 14.899 6.416 1.00 10.30 H new ATOM 0 HB ILE A 18 11.118 13.607 6.428 1.00 72.10 H new ATOM 0 HG12 ILE A 18 9.545 14.909 8.720 1.00 33.11 H new ATOM 0 HG13 ILE A 18 9.806 13.186 8.532 1.00 33.11 H new ATOM 0 HG21 ILE A 18 12.003 15.846 7.044 1.00 34.52 H new ATOM 0 HG22 ILE A 18 11.249 15.836 5.432 1.00 34.52 H new ATOM 0 HG23 ILE A 18 10.379 16.538 6.816 1.00 34.52 H new ATOM 0 HD11 ILE A 18 11.313 14.121 10.222 1.00 35.41 H new ATOM 0 HD12 ILE A 18 12.242 13.509 8.833 1.00 35.41 H new ATOM 0 HD13 ILE A 18 11.976 15.258 9.025 1.00 35.41 H new ATOM 301 N THR A 19 9.256 15.523 4.008 1.00 33.43 N ATOM 302 CA THR A 19 9.511 15.831 2.573 1.00 43.12 C ATOM 303 C THR A 19 10.848 15.234 2.045 1.00 32.42 C ATOM 304 O THR A 19 10.994 14.998 0.844 1.00 62.33 O ATOM 305 CB THR A 19 9.517 17.378 2.328 1.00 75.51 C ATOM 306 OG1 THR A 19 10.494 18.007 3.184 1.00 63.25 O ATOM 307 CG2 THR A 19 8.127 18.002 2.571 1.00 61.22 C ATOM 0 H THR A 19 9.101 16.354 4.579 1.00 33.43 H new ATOM 0 HA THR A 19 8.696 15.363 2.022 1.00 43.12 H new ATOM 0 HB THR A 19 9.779 17.548 1.284 1.00 75.51 H new ATOM 0 HG1 THR A 19 10.494 18.974 3.025 1.00 63.25 H new ATOM 0 HG21 THR A 19 8.174 19.076 2.391 1.00 61.22 H new ATOM 0 HG22 THR A 19 7.402 17.551 1.893 1.00 61.22 H new ATOM 0 HG23 THR A 19 7.822 17.820 3.601 1.00 61.22 H new ATOM 315 N SER A 20 11.807 14.994 2.959 1.00 51.34 N ATOM 316 CA SER A 20 13.141 14.428 2.628 1.00 71.24 C ATOM 317 C SER A 20 13.208 12.884 2.797 1.00 14.24 C ATOM 318 O SER A 20 14.235 12.272 2.475 1.00 13.34 O ATOM 319 CB SER A 20 14.211 15.096 3.520 1.00 75.33 C ATOM 320 OG SER A 20 13.954 14.868 4.899 1.00 12.12 O ATOM 0 H SER A 20 11.684 15.186 3.953 1.00 51.34 H new ATOM 0 HA SER A 20 13.328 14.637 1.575 1.00 71.24 H new ATOM 0 HB2 SER A 20 15.196 14.706 3.263 1.00 75.33 H new ATOM 0 HB3 SER A 20 14.232 16.168 3.325 1.00 75.33 H new ATOM 0 HG SER A 20 14.649 15.301 5.437 1.00 12.12 H new ATOM 326 N GLU A 21 12.127 12.253 3.306 1.00 53.31 N ATOM 327 CA GLU A 21 12.089 10.786 3.573 1.00 61.53 C ATOM 328 C GLU A 21 11.465 9.985 2.407 1.00 13.11 C ATOM 329 O GLU A 21 10.586 10.480 1.688 1.00 10.40 O ATOM 330 CB GLU A 21 11.315 10.474 4.889 1.00 52.03 C ATOM 331 CG GLU A 21 11.974 11.026 6.171 1.00 42.13 C ATOM 332 CD GLU A 21 11.321 10.515 7.473 1.00 40.14 C ATOM 333 OE1 GLU A 21 10.086 10.584 7.598 1.00 14.41 O ATOM 334 OE2 GLU A 21 12.043 10.055 8.383 1.00 74.10 O ATOM 0 H GLU A 21 11.260 12.735 3.544 1.00 53.31 H new ATOM 0 HA GLU A 21 13.127 10.471 3.678 1.00 61.53 H new ATOM 0 HB2 GLU A 21 10.308 10.884 4.809 1.00 52.03 H new ATOM 0 HB3 GLU A 21 11.212 9.393 4.986 1.00 52.03 H new ATOM 0 HG2 GLU A 21 13.029 10.753 6.173 1.00 42.13 H new ATOM 0 HG3 GLU A 21 11.926 12.115 6.154 1.00 42.13 H new ATOM 341 N CYS A 22 11.943 8.730 2.247 1.00 63.41 N ATOM 342 CA CYS A 22 11.366 7.743 1.310 1.00 5.25 C ATOM 343 C CYS A 22 10.374 6.821 2.053 1.00 55.40 C ATOM 344 O CYS A 22 10.778 6.032 2.909 1.00 54.43 O ATOM 345 CB CYS A 22 12.477 6.898 0.641 1.00 30.34 C ATOM 346 SG CYS A 22 13.676 7.865 -0.298 1.00 10.52 S ATOM 0 H CYS A 22 12.744 8.373 2.768 1.00 63.41 H new ATOM 0 HA CYS A 22 10.833 8.286 0.529 1.00 5.25 H new ATOM 0 HB2 CYS A 22 13.004 6.336 1.412 1.00 30.34 H new ATOM 0 HB3 CYS A 22 12.013 6.170 -0.024 1.00 30.34 H new ATOM 0 HG CYS A 22 13.120 8.967 -0.707 1.00 10.52 H new ATOM 352 N VAL A 23 9.076 6.938 1.722 1.00 11.25 N ATOM 353 CA VAL A 23 7.995 6.133 2.338 1.00 71.53 C ATOM 354 C VAL A 23 7.394 5.137 1.306 1.00 5.25 C ATOM 355 O VAL A 23 6.728 5.545 0.349 1.00 70.41 O ATOM 356 CB VAL A 23 6.869 7.076 2.929 1.00 50.34 C ATOM 357 CG1 VAL A 23 5.646 6.273 3.431 1.00 62.42 C ATOM 358 CG2 VAL A 23 7.441 7.975 4.061 1.00 43.21 C ATOM 0 H VAL A 23 8.741 7.595 1.017 1.00 11.25 H new ATOM 0 HA VAL A 23 8.422 5.555 3.157 1.00 71.53 H new ATOM 0 HB VAL A 23 6.524 7.717 2.117 1.00 50.34 H new ATOM 0 HG11 VAL A 23 4.898 6.959 3.828 1.00 62.42 H new ATOM 0 HG12 VAL A 23 5.217 5.708 2.603 1.00 62.42 H new ATOM 0 HG13 VAL A 23 5.960 5.585 4.216 1.00 62.42 H new ATOM 0 HG21 VAL A 23 6.650 8.615 4.452 1.00 43.21 H new ATOM 0 HG22 VAL A 23 7.830 7.347 4.863 1.00 43.21 H new ATOM 0 HG23 VAL A 23 8.245 8.594 3.663 1.00 43.21 H new ATOM 368 N MET A 24 7.654 3.826 1.501 1.00 23.25 N ATOM 369 CA MET A 24 7.063 2.753 0.668 1.00 55.32 C ATOM 370 C MET A 24 5.943 2.021 1.453 1.00 22.15 C ATOM 371 O MET A 24 6.218 1.233 2.362 1.00 13.00 O ATOM 372 CB MET A 24 8.149 1.737 0.205 1.00 11.52 C ATOM 373 CG MET A 24 7.612 0.598 -0.686 1.00 2.20 C ATOM 374 SD MET A 24 8.856 -0.654 -1.082 1.00 30.33 S ATOM 375 CE MET A 24 10.046 0.275 -2.052 1.00 23.24 C ATOM 0 H MET A 24 8.274 3.482 2.234 1.00 23.25 H new ATOM 0 HA MET A 24 6.632 3.214 -0.221 1.00 55.32 H new ATOM 0 HB2 MET A 24 8.924 2.275 -0.341 1.00 11.52 H new ATOM 0 HB3 MET A 24 8.622 1.302 1.085 1.00 11.52 H new ATOM 0 HG2 MET A 24 6.772 0.118 -0.183 1.00 2.20 H new ATOM 0 HG3 MET A 24 7.227 1.023 -1.613 1.00 2.20 H new ATOM 0 HE1 MET A 24 10.236 -0.245 -2.991 1.00 23.24 H new ATOM 0 HE2 MET A 24 9.649 1.268 -2.261 1.00 23.24 H new ATOM 0 HE3 MET A 24 10.978 0.367 -1.494 1.00 23.24 H new ATOM 385 N LEU A 25 4.686 2.326 1.114 1.00 33.31 N ATOM 386 CA LEU A 25 3.502 1.637 1.666 1.00 50.20 C ATOM 387 C LEU A 25 3.255 0.323 0.885 1.00 54.53 C ATOM 388 O LEU A 25 3.102 0.359 -0.331 1.00 40.22 O ATOM 389 CB LEU A 25 2.269 2.572 1.552 1.00 23.04 C ATOM 390 CG LEU A 25 2.431 4.003 2.152 1.00 22.41 C ATOM 391 CD1 LEU A 25 1.159 4.849 1.932 1.00 43.12 C ATOM 392 CD2 LEU A 25 2.817 3.948 3.645 1.00 73.51 C ATOM 0 H LEU A 25 4.454 3.061 0.446 1.00 33.31 H new ATOM 0 HA LEU A 25 3.670 1.394 2.715 1.00 50.20 H new ATOM 0 HB2 LEU A 25 2.010 2.670 0.498 1.00 23.04 H new ATOM 0 HB3 LEU A 25 1.425 2.088 2.044 1.00 23.04 H new ATOM 0 HG LEU A 25 3.248 4.491 1.621 1.00 22.41 H new ATOM 0 HD11 LEU A 25 1.303 5.841 2.361 1.00 43.12 H new ATOM 0 HD12 LEU A 25 0.963 4.941 0.864 1.00 43.12 H new ATOM 0 HD13 LEU A 25 0.311 4.364 2.416 1.00 43.12 H new ATOM 0 HD21 LEU A 25 2.922 4.962 4.031 1.00 73.51 H new ATOM 0 HD22 LEU A 25 2.040 3.426 4.203 1.00 73.51 H new ATOM 0 HD23 LEU A 25 3.763 3.418 3.757 1.00 73.51 H new ATOM 404 N ALA A 26 3.227 -0.833 1.572 1.00 3.40 N ATOM 405 CA ALA A 26 3.016 -2.152 0.911 1.00 35.44 C ATOM 406 C ALA A 26 1.679 -2.803 1.342 1.00 72.33 C ATOM 407 O ALA A 26 1.357 -2.865 2.538 1.00 12.43 O ATOM 408 CB ALA A 26 4.201 -3.091 1.203 1.00 1.34 C ATOM 0 H ALA A 26 3.347 -0.890 2.583 1.00 3.40 H new ATOM 0 HA ALA A 26 2.960 -1.981 -0.164 1.00 35.44 H new ATOM 0 HB1 ALA A 26 4.034 -4.051 0.714 1.00 1.34 H new ATOM 0 HB2 ALA A 26 5.120 -2.646 0.823 1.00 1.34 H new ATOM 0 HB3 ALA A 26 4.289 -3.242 2.279 1.00 1.34 H new ATOM 414 N CYS A 27 0.909 -3.276 0.343 1.00 75.23 N ATOM 415 CA CYS A 27 -0.357 -4.013 0.549 1.00 61.02 C ATOM 416 C CYS A 27 -0.367 -5.312 -0.282 1.00 45.45 C ATOM 417 O CYS A 27 0.098 -5.329 -1.422 1.00 35.22 O ATOM 418 CB CYS A 27 -1.567 -3.144 0.175 1.00 1.35 C ATOM 419 SG CYS A 27 -3.147 -3.941 0.517 1.00 11.53 S ATOM 0 H CYS A 27 1.149 -3.157 -0.641 1.00 75.23 H new ATOM 0 HA CYS A 27 -0.428 -4.267 1.607 1.00 61.02 H new ATOM 0 HB2 CYS A 27 -1.515 -2.204 0.725 1.00 1.35 H new ATOM 0 HB3 CYS A 27 -1.514 -2.896 -0.885 1.00 1.35 H new ATOM 0 HG CYS A 27 -3.527 -3.651 1.726 1.00 11.53 H new ATOM 425 N GLU A 28 -0.926 -6.384 0.289 1.00 74.13 N ATOM 426 CA GLU A 28 -0.823 -7.745 -0.259 1.00 63.20 C ATOM 427 C GLU A 28 -2.143 -8.515 -0.062 1.00 3.11 C ATOM 428 O GLU A 28 -2.747 -8.468 1.018 1.00 23.13 O ATOM 429 CB GLU A 28 0.342 -8.492 0.433 1.00 73.44 C ATOM 430 CG GLU A 28 0.688 -9.860 -0.189 1.00 64.01 C ATOM 431 CD GLU A 28 1.801 -10.611 0.556 1.00 55.31 C ATOM 432 OE1 GLU A 28 2.841 -9.992 0.860 1.00 44.45 O ATOM 433 OE2 GLU A 28 1.650 -11.821 0.832 1.00 44.54 O ATOM 0 H GLU A 28 -1.468 -6.333 1.152 1.00 74.13 H new ATOM 0 HA GLU A 28 -0.627 -7.680 -1.329 1.00 63.20 H new ATOM 0 HB2 GLU A 28 1.229 -7.860 0.404 1.00 73.44 H new ATOM 0 HB3 GLU A 28 0.089 -8.639 1.483 1.00 73.44 H new ATOM 0 HG2 GLU A 28 -0.209 -10.479 -0.205 1.00 64.01 H new ATOM 0 HG3 GLU A 28 0.992 -9.712 -1.225 1.00 64.01 H new ATOM 440 N VAL A 29 -2.567 -9.244 -1.108 1.00 35.10 N ATOM 441 CA VAL A 29 -3.851 -9.982 -1.135 1.00 62.12 C ATOM 442 C VAL A 29 -3.646 -11.509 -1.276 1.00 74.25 C ATOM 443 O VAL A 29 -2.587 -11.962 -1.717 1.00 53.23 O ATOM 444 CB VAL A 29 -4.764 -9.462 -2.309 1.00 23.22 C ATOM 445 CG1 VAL A 29 -5.269 -8.035 -2.017 1.00 33.11 C ATOM 446 CG2 VAL A 29 -4.023 -9.519 -3.674 1.00 13.30 C ATOM 0 H VAL A 29 -2.027 -9.341 -1.968 1.00 35.10 H new ATOM 0 HA VAL A 29 -4.341 -9.797 -0.179 1.00 62.12 H new ATOM 0 HB VAL A 29 -5.627 -10.124 -2.376 1.00 23.22 H new ATOM 0 HG11 VAL A 29 -5.897 -7.696 -2.841 1.00 33.11 H new ATOM 0 HG12 VAL A 29 -5.849 -8.036 -1.094 1.00 33.11 H new ATOM 0 HG13 VAL A 29 -4.418 -7.363 -1.909 1.00 33.11 H new ATOM 0 HG21 VAL A 29 -4.682 -9.153 -4.461 1.00 13.30 H new ATOM 0 HG22 VAL A 29 -3.130 -8.896 -3.630 1.00 13.30 H new ATOM 0 HG23 VAL A 29 -3.737 -10.548 -3.890 1.00 13.30 H new ATOM 456 N ASP A 30 -4.682 -12.287 -0.898 1.00 60.22 N ATOM 457 CA ASP A 30 -4.695 -13.765 -1.046 1.00 11.14 C ATOM 458 C ASP A 30 -5.067 -14.174 -2.495 1.00 70.13 C ATOM 459 O ASP A 30 -4.728 -15.267 -2.955 1.00 31.20 O ATOM 460 CB ASP A 30 -5.692 -14.399 -0.030 1.00 11.45 C ATOM 461 CG ASP A 30 -7.186 -14.196 -0.376 1.00 22.13 C ATOM 462 OD1 ASP A 30 -7.593 -13.058 -0.663 1.00 73.45 O ATOM 463 OD2 ASP A 30 -7.957 -15.178 -0.373 1.00 61.35 O ATOM 0 H ASP A 30 -5.534 -11.912 -0.481 1.00 60.22 H new ATOM 0 HA ASP A 30 -3.693 -14.138 -0.836 1.00 11.14 H new ATOM 0 HB2 ASP A 30 -5.491 -15.468 0.036 1.00 11.45 H new ATOM 0 HB3 ASP A 30 -5.501 -13.977 0.957 1.00 11.45 H new ATOM 468 N ARG A 31 -5.798 -13.278 -3.173 1.00 71.33 N ATOM 469 CA ARG A 31 -6.274 -13.458 -4.554 1.00 23.11 C ATOM 470 C ARG A 31 -5.488 -12.509 -5.497 1.00 44.52 C ATOM 471 O ARG A 31 -5.867 -11.345 -5.676 1.00 33.13 O ATOM 472 CB ARG A 31 -7.806 -13.159 -4.585 1.00 14.33 C ATOM 473 CG ARG A 31 -8.524 -13.326 -5.947 1.00 23.32 C ATOM 474 CD ARG A 31 -8.632 -14.791 -6.400 1.00 20.22 C ATOM 475 NE ARG A 31 -9.415 -14.919 -7.642 1.00 33.23 N ATOM 476 CZ ARG A 31 -9.390 -15.946 -8.462 1.00 75.31 C ATOM 477 NH1 ARG A 31 -8.598 -16.950 -8.269 1.00 73.32 N ATOM 478 NH2 ARG A 31 -10.155 -15.944 -9.499 1.00 75.05 N ATOM 0 H ARG A 31 -6.082 -12.386 -2.768 1.00 71.33 H new ATOM 0 HA ARG A 31 -6.107 -14.479 -4.897 1.00 23.11 H new ATOM 0 HB2 ARG A 31 -8.294 -13.812 -3.862 1.00 14.33 H new ATOM 0 HB3 ARG A 31 -7.959 -12.135 -4.244 1.00 14.33 H new ATOM 0 HG2 ARG A 31 -9.525 -12.899 -5.877 1.00 23.32 H new ATOM 0 HG3 ARG A 31 -7.987 -12.757 -6.706 1.00 23.32 H new ATOM 0 HD2 ARG A 31 -7.633 -15.199 -6.555 1.00 20.22 H new ATOM 0 HD3 ARG A 31 -9.099 -15.382 -5.612 1.00 20.22 H new ATOM 0 HE ARG A 31 -10.030 -14.143 -7.887 1.00 33.23 H new ATOM 0 HH11 ARG A 31 -7.972 -16.958 -7.464 1.00 73.32 H new ATOM 0 HH12 ARG A 31 -8.600 -17.734 -8.922 1.00 73.32 H new ATOM 0 HH21 ARG A 31 -10.771 -15.151 -9.677 1.00 75.05 H new ATOM 0 HH22 ARG A 31 -10.144 -16.735 -10.142 1.00 75.05 H new ATOM 492 N GLU A 32 -4.364 -13.002 -6.068 1.00 13.34 N ATOM 493 CA GLU A 32 -3.476 -12.183 -6.944 1.00 52.44 C ATOM 494 C GLU A 32 -4.164 -11.787 -8.280 1.00 70.01 C ATOM 495 O GLU A 32 -3.744 -10.835 -8.941 1.00 43.13 O ATOM 496 CB GLU A 32 -2.105 -12.903 -7.176 1.00 11.54 C ATOM 497 CG GLU A 32 -2.149 -14.350 -7.749 1.00 30.12 C ATOM 498 CD GLU A 32 -2.485 -14.447 -9.252 1.00 41.13 C ATOM 499 OE1 GLU A 32 -1.660 -14.010 -10.080 1.00 0.05 O ATOM 500 OE2 GLU A 32 -3.568 -14.963 -9.611 1.00 55.25 O ATOM 0 H GLU A 32 -4.046 -13.963 -5.941 1.00 13.34 H new ATOM 0 HA GLU A 32 -3.275 -11.248 -6.422 1.00 52.44 H new ATOM 0 HB2 GLU A 32 -1.512 -12.289 -7.854 1.00 11.54 H new ATOM 0 HB3 GLU A 32 -1.574 -12.932 -6.225 1.00 11.54 H new ATOM 0 HG2 GLU A 32 -1.182 -14.822 -7.577 1.00 30.12 H new ATOM 0 HG3 GLU A 32 -2.888 -14.924 -7.189 1.00 30.12 H new ATOM 507 N ASP A 33 -5.217 -12.548 -8.655 1.00 3.42 N ATOM 508 CA ASP A 33 -6.095 -12.241 -9.810 1.00 72.20 C ATOM 509 C ASP A 33 -6.830 -10.889 -9.631 1.00 70.33 C ATOM 510 O ASP A 33 -7.165 -10.218 -10.612 1.00 33.25 O ATOM 511 CB ASP A 33 -7.112 -13.399 -9.998 1.00 14.05 C ATOM 512 CG ASP A 33 -8.050 -13.221 -11.207 1.00 21.34 C ATOM 513 OD1 ASP A 33 -7.550 -13.167 -12.352 1.00 22.44 O ATOM 514 OD2 ASP A 33 -9.287 -13.160 -11.027 1.00 22.14 O ATOM 0 H ASP A 33 -5.485 -13.400 -8.161 1.00 3.42 H new ATOM 0 HA ASP A 33 -5.475 -12.149 -10.702 1.00 72.20 H new ATOM 0 HB2 ASP A 33 -6.564 -14.335 -10.111 1.00 14.05 H new ATOM 0 HB3 ASP A 33 -7.715 -13.490 -9.094 1.00 14.05 H new ATOM 519 N ALA A 34 -7.074 -10.497 -8.367 1.00 54.45 N ATOM 520 CA ALA A 34 -7.719 -9.217 -8.020 1.00 35.31 C ATOM 521 C ALA A 34 -6.755 -8.339 -7.176 1.00 1.23 C ATOM 522 O ALA A 34 -6.645 -8.522 -5.961 1.00 2.12 O ATOM 523 CB ALA A 34 -9.034 -9.480 -7.276 1.00 23.02 C ATOM 0 H ALA A 34 -6.828 -11.062 -7.554 1.00 54.45 H new ATOM 0 HA ALA A 34 -7.950 -8.670 -8.934 1.00 35.31 H new ATOM 0 HB1 ALA A 34 -9.505 -8.530 -7.023 1.00 23.02 H new ATOM 0 HB2 ALA A 34 -9.703 -10.058 -7.913 1.00 23.02 H new ATOM 0 HB3 ALA A 34 -8.830 -10.039 -6.363 1.00 23.02 H new ATOM 529 N PRO A 35 -6.006 -7.389 -7.817 1.00 24.52 N ATOM 530 CA PRO A 35 -5.051 -6.499 -7.101 1.00 50.21 C ATOM 531 C PRO A 35 -5.742 -5.334 -6.346 1.00 13.12 C ATOM 532 O PRO A 35 -6.922 -5.031 -6.580 1.00 53.22 O ATOM 533 CB PRO A 35 -4.169 -5.971 -8.250 1.00 15.13 C ATOM 534 CG PRO A 35 -5.083 -5.924 -9.435 1.00 63.33 C ATOM 535 CD PRO A 35 -6.016 -7.113 -9.282 1.00 4.31 C ATOM 0 HA PRO A 35 -4.505 -7.025 -6.317 1.00 50.21 H new ATOM 0 HB2 PRO A 35 -3.767 -4.984 -8.020 1.00 15.13 H new ATOM 0 HB3 PRO A 35 -3.318 -6.628 -8.431 1.00 15.13 H new ATOM 0 HG2 PRO A 35 -5.642 -4.989 -9.461 1.00 63.33 H new ATOM 0 HG3 PRO A 35 -4.520 -5.985 -10.366 1.00 63.33 H new ATOM 0 HD2 PRO A 35 -7.020 -6.882 -9.638 1.00 4.31 H new ATOM 0 HD3 PRO A 35 -5.665 -7.973 -9.853 1.00 4.31 H new ATOM 543 N VAL A 36 -4.987 -4.670 -5.445 1.00 30.21 N ATOM 544 CA VAL A 36 -5.485 -3.482 -4.717 1.00 73.24 C ATOM 545 C VAL A 36 -5.349 -2.209 -5.583 1.00 23.24 C ATOM 546 O VAL A 36 -4.565 -2.161 -6.542 1.00 71.31 O ATOM 547 CB VAL A 36 -4.755 -3.262 -3.328 1.00 45.41 C ATOM 548 CG1 VAL A 36 -4.724 -4.567 -2.511 1.00 24.24 C ATOM 549 CG2 VAL A 36 -3.330 -2.673 -3.487 1.00 30.00 C ATOM 0 H VAL A 36 -4.032 -4.935 -5.204 1.00 30.21 H new ATOM 0 HA VAL A 36 -6.538 -3.672 -4.508 1.00 73.24 H new ATOM 0 HB VAL A 36 -5.339 -2.522 -2.781 1.00 45.41 H new ATOM 0 HG11 VAL A 36 -4.218 -4.390 -1.562 1.00 24.24 H new ATOM 0 HG12 VAL A 36 -5.744 -4.902 -2.321 1.00 24.24 H new ATOM 0 HG13 VAL A 36 -4.188 -5.334 -3.070 1.00 24.24 H new ATOM 0 HG21 VAL A 36 -2.878 -2.544 -2.504 1.00 30.00 H new ATOM 0 HG22 VAL A 36 -2.719 -3.353 -4.080 1.00 30.00 H new ATOM 0 HG23 VAL A 36 -3.389 -1.707 -3.989 1.00 30.00 H new ATOM 559 N ARG A 37 -6.134 -1.198 -5.228 1.00 2.53 N ATOM 560 CA ARG A 37 -6.058 0.151 -5.812 1.00 13.23 C ATOM 561 C ARG A 37 -5.952 1.171 -4.654 1.00 62.33 C ATOM 562 O ARG A 37 -6.760 1.159 -3.719 1.00 5.35 O ATOM 563 CB ARG A 37 -7.293 0.401 -6.729 1.00 74.44 C ATOM 564 CG ARG A 37 -8.659 0.177 -6.047 1.00 11.24 C ATOM 565 CD ARG A 37 -9.843 0.105 -7.026 1.00 25.34 C ATOM 566 NE ARG A 37 -9.738 -1.047 -7.940 1.00 21.24 N ATOM 567 CZ ARG A 37 -9.999 -2.305 -7.631 1.00 1.12 C ATOM 568 NH1 ARG A 37 -10.362 -2.660 -6.429 1.00 53.13 N ATOM 569 NH2 ARG A 37 -9.876 -3.209 -8.541 1.00 64.31 N ATOM 0 H ARG A 37 -6.857 -1.287 -4.514 1.00 2.53 H new ATOM 0 HA ARG A 37 -5.177 0.261 -6.445 1.00 13.23 H new ATOM 0 HB2 ARG A 37 -7.251 1.425 -7.100 1.00 74.44 H new ATOM 0 HB3 ARG A 37 -7.223 -0.256 -7.596 1.00 74.44 H new ATOM 0 HG2 ARG A 37 -8.619 -0.748 -5.472 1.00 11.24 H new ATOM 0 HG3 ARG A 37 -8.836 0.985 -5.338 1.00 11.24 H new ATOM 0 HD2 ARG A 37 -10.774 0.037 -6.464 1.00 25.34 H new ATOM 0 HD3 ARG A 37 -9.888 1.026 -7.608 1.00 25.34 H new ATOM 0 HE ARG A 37 -9.437 -0.856 -8.896 1.00 21.24 H new ATOM 0 HH11 ARG A 37 -10.452 -1.957 -5.695 1.00 53.13 H new ATOM 0 HH12 ARG A 37 -10.556 -3.640 -6.223 1.00 53.13 H new ATOM 0 HH21 ARG A 37 -9.581 -2.948 -9.482 1.00 64.31 H new ATOM 0 HH22 ARG A 37 -10.073 -4.185 -8.320 1.00 64.31 H new ATOM 583 N TRP A 38 -4.937 2.036 -4.717 1.00 61.10 N ATOM 584 CA TRP A 38 -4.584 2.951 -3.615 1.00 2.25 C ATOM 585 C TRP A 38 -5.421 4.236 -3.697 1.00 33.11 C ATOM 586 O TRP A 38 -5.503 4.839 -4.751 1.00 4.12 O ATOM 587 CB TRP A 38 -3.073 3.294 -3.695 1.00 14.30 C ATOM 588 CG TRP A 38 -2.166 2.128 -3.381 1.00 54.32 C ATOM 589 CD1 TRP A 38 -1.686 1.174 -4.239 1.00 30.51 C ATOM 590 CD2 TRP A 38 -1.642 1.801 -2.091 1.00 54.04 C ATOM 591 NE1 TRP A 38 -0.891 0.285 -3.555 1.00 54.03 N ATOM 592 CE2 TRP A 38 -0.850 0.650 -2.235 1.00 73.52 C ATOM 593 CE3 TRP A 38 -1.765 2.384 -0.829 1.00 75.04 C ATOM 594 CZ2 TRP A 38 -0.187 0.068 -1.163 1.00 74.02 C ATOM 595 CZ3 TRP A 38 -1.110 1.808 0.233 1.00 45.14 C ATOM 596 CH2 TRP A 38 -0.328 0.658 0.061 1.00 61.51 C ATOM 0 H TRP A 38 -4.332 2.126 -5.533 1.00 61.10 H new ATOM 0 HA TRP A 38 -4.796 2.463 -2.664 1.00 2.25 H new ATOM 0 HB2 TRP A 38 -2.846 3.660 -4.696 1.00 14.30 H new ATOM 0 HB3 TRP A 38 -2.857 4.107 -3.002 1.00 14.30 H new ATOM 0 HD1 TRP A 38 -1.900 1.127 -5.296 1.00 30.51 H new ATOM 0 HE1 TRP A 38 -0.410 -0.516 -3.964 1.00 54.03 H new ATOM 0 HE3 TRP A 38 -2.364 3.272 -0.689 1.00 75.04 H new ATOM 0 HZ2 TRP A 38 0.417 -0.818 -1.292 1.00 74.02 H new ATOM 0 HZ3 TRP A 38 -1.199 2.248 1.215 1.00 45.14 H new ATOM 0 HH2 TRP A 38 0.174 0.229 0.915 1.00 61.51 H new ATOM 607 N TYR A 39 -6.067 4.617 -2.583 1.00 32.33 N ATOM 608 CA TYR A 39 -6.854 5.871 -2.468 1.00 64.41 C ATOM 609 C TYR A 39 -6.199 6.807 -1.435 1.00 33.30 C ATOM 610 O TYR A 39 -5.907 6.386 -0.335 1.00 12.11 O ATOM 611 CB TYR A 39 -8.334 5.564 -2.077 1.00 51.03 C ATOM 612 CG TYR A 39 -9.204 5.074 -3.251 1.00 52.31 C ATOM 613 CD1 TYR A 39 -9.030 3.807 -3.807 1.00 32.11 C ATOM 614 CD2 TYR A 39 -10.184 5.893 -3.818 1.00 61.22 C ATOM 615 CE1 TYR A 39 -9.797 3.385 -4.874 1.00 72.02 C ATOM 616 CE2 TYR A 39 -10.956 5.470 -4.883 1.00 24.45 C ATOM 617 CZ TYR A 39 -10.756 4.216 -5.410 1.00 2.25 C ATOM 618 OH TYR A 39 -11.513 3.790 -6.484 1.00 62.32 O ATOM 0 H TYR A 39 -6.062 4.064 -1.726 1.00 32.33 H new ATOM 0 HA TYR A 39 -6.862 6.369 -3.438 1.00 64.41 H new ATOM 0 HB2 TYR A 39 -8.342 4.808 -1.292 1.00 51.03 H new ATOM 0 HB3 TYR A 39 -8.782 6.464 -1.657 1.00 51.03 H new ATOM 0 HD1 TYR A 39 -8.282 3.145 -3.396 1.00 32.11 H new ATOM 0 HD2 TYR A 39 -10.342 6.882 -3.413 1.00 61.22 H new ATOM 0 HE1 TYR A 39 -9.645 2.400 -5.290 1.00 72.02 H new ATOM 0 HE2 TYR A 39 -11.712 6.120 -5.299 1.00 24.45 H new ATOM 0 HH TYR A 39 -11.188 4.217 -7.304 1.00 62.32 H new ATOM 628 N LYS A 40 -5.972 8.077 -1.806 1.00 64.42 N ATOM 629 CA LYS A 40 -5.325 9.069 -0.911 1.00 43.11 C ATOM 630 C LYS A 40 -6.334 9.641 0.115 1.00 23.44 C ATOM 631 O LYS A 40 -6.012 9.793 1.300 1.00 10.54 O ATOM 632 CB LYS A 40 -4.687 10.199 -1.760 1.00 41.42 C ATOM 633 CG LYS A 40 -3.960 11.294 -0.945 1.00 2.25 C ATOM 634 CD LYS A 40 -3.201 12.296 -1.840 1.00 72.33 C ATOM 635 CE LYS A 40 -1.993 11.666 -2.556 1.00 34.32 C ATOM 636 NZ LYS A 40 -1.277 12.648 -3.413 1.00 40.14 N ATOM 0 H LYS A 40 -6.225 8.449 -2.721 1.00 64.42 H new ATOM 0 HA LYS A 40 -4.539 8.569 -0.344 1.00 43.11 H new ATOM 0 HB2 LYS A 40 -3.977 9.753 -2.457 1.00 41.42 H new ATOM 0 HB3 LYS A 40 -5.468 10.669 -2.358 1.00 41.42 H new ATOM 0 HG2 LYS A 40 -4.688 11.833 -0.339 1.00 2.25 H new ATOM 0 HG3 LYS A 40 -3.258 10.823 -0.257 1.00 2.25 H new ATOM 0 HD2 LYS A 40 -3.886 12.702 -2.584 1.00 72.33 H new ATOM 0 HD3 LYS A 40 -2.860 13.133 -1.231 1.00 72.33 H new ATOM 0 HE2 LYS A 40 -1.303 11.261 -1.815 1.00 34.32 H new ATOM 0 HE3 LYS A 40 -2.330 10.829 -3.168 1.00 34.32 H new ATOM 0 HZ1 LYS A 40 -0.288 12.349 -3.532 1.00 40.14 H new ATOM 0 HZ2 LYS A 40 -1.738 12.697 -4.344 1.00 40.14 H new ATOM 0 HZ3 LYS A 40 -1.304 13.585 -2.963 1.00 40.14 H new ATOM 650 N ASP A 41 -7.543 9.962 -0.384 1.00 21.51 N ATOM 651 CA ASP A 41 -8.694 10.413 0.427 1.00 61.10 C ATOM 652 C ASP A 41 -9.924 10.593 -0.496 1.00 23.22 C ATOM 653 O ASP A 41 -10.131 11.668 -1.074 1.00 2.52 O ATOM 654 CB ASP A 41 -8.375 11.731 1.199 1.00 15.53 C ATOM 655 CG ASP A 41 -9.431 12.072 2.264 1.00 1.52 C ATOM 656 OD1 ASP A 41 -9.429 11.438 3.341 1.00 30.42 O ATOM 657 OD2 ASP A 41 -10.285 12.950 2.035 1.00 33.14 O ATOM 0 H ASP A 41 -7.753 9.915 -1.381 1.00 21.51 H new ATOM 0 HA ASP A 41 -8.912 9.654 1.179 1.00 61.10 H new ATOM 0 HB2 ASP A 41 -7.400 11.639 1.678 1.00 15.53 H new ATOM 0 HB3 ASP A 41 -8.304 12.554 0.488 1.00 15.53 H new ATOM 662 N GLY A 42 -10.699 9.508 -0.688 1.00 44.23 N ATOM 663 CA GLY A 42 -11.874 9.514 -1.587 1.00 3.25 C ATOM 664 C GLY A 42 -11.524 9.247 -3.064 1.00 42.34 C ATOM 665 O GLY A 42 -12.224 8.491 -3.752 1.00 14.24 O ATOM 0 H GLY A 42 -10.533 8.611 -0.231 1.00 44.23 H new ATOM 0 HA2 GLY A 42 -12.583 8.759 -1.248 1.00 3.25 H new ATOM 0 HA3 GLY A 42 -12.375 10.479 -1.510 1.00 3.25 H new ATOM 669 N GLN A 43 -10.438 9.880 -3.551 1.00 10.13 N ATOM 670 CA GLN A 43 -9.905 9.665 -4.918 1.00 73.12 C ATOM 671 C GLN A 43 -8.602 8.839 -4.864 1.00 43.12 C ATOM 672 O GLN A 43 -7.844 8.920 -3.888 1.00 33.43 O ATOM 673 CB GLN A 43 -9.661 11.018 -5.649 1.00 52.12 C ATOM 674 CG GLN A 43 -9.223 10.874 -7.129 1.00 50.04 C ATOM 675 CD GLN A 43 -8.963 12.203 -7.845 1.00 71.54 C ATOM 676 OE1 GLN A 43 -8.552 13.188 -7.241 1.00 73.14 O ATOM 677 NE2 GLN A 43 -9.209 12.251 -9.142 1.00 23.21 N ATOM 0 H GLN A 43 -9.902 10.557 -3.008 1.00 10.13 H new ATOM 0 HA GLN A 43 -10.651 9.108 -5.485 1.00 73.12 H new ATOM 0 HB2 GLN A 43 -10.576 11.609 -5.609 1.00 52.12 H new ATOM 0 HB3 GLN A 43 -8.897 11.577 -5.109 1.00 52.12 H new ATOM 0 HG2 GLN A 43 -8.316 10.270 -7.170 1.00 50.04 H new ATOM 0 HG3 GLN A 43 -9.994 10.328 -7.672 1.00 50.04 H new ATOM 0 HE21 GLN A 43 -9.550 11.421 -9.627 1.00 23.21 H new ATOM 0 HE22 GLN A 43 -9.057 13.118 -9.658 1.00 23.21 H new ATOM 686 N GLU A 44 -8.367 8.037 -5.919 1.00 71.24 N ATOM 687 CA GLU A 44 -7.178 7.167 -6.040 1.00 35.40 C ATOM 688 C GLU A 44 -5.876 7.972 -6.297 1.00 62.14 C ATOM 689 O GLU A 44 -5.898 9.075 -6.855 1.00 50.30 O ATOM 690 CB GLU A 44 -7.372 6.050 -7.124 1.00 12.01 C ATOM 691 CG GLU A 44 -7.954 6.501 -8.490 1.00 42.21 C ATOM 692 CD GLU A 44 -9.498 6.491 -8.528 1.00 11.11 C ATOM 693 OE1 GLU A 44 -10.085 5.397 -8.686 1.00 71.45 O ATOM 694 OE2 GLU A 44 -10.128 7.562 -8.369 1.00 30.15 O ATOM 0 H GLU A 44 -8.999 7.973 -6.717 1.00 71.24 H new ATOM 0 HA GLU A 44 -7.067 6.674 -5.074 1.00 35.40 H new ATOM 0 HB2 GLU A 44 -6.406 5.579 -7.304 1.00 12.01 H new ATOM 0 HB3 GLU A 44 -8.028 5.284 -6.710 1.00 12.01 H new ATOM 0 HG2 GLU A 44 -7.598 7.506 -8.715 1.00 42.21 H new ATOM 0 HG3 GLU A 44 -7.574 5.846 -9.274 1.00 42.21 H new ATOM 701 N VAL A 45 -4.745 7.392 -5.858 1.00 44.40 N ATOM 702 CA VAL A 45 -3.405 8.003 -5.966 1.00 65.43 C ATOM 703 C VAL A 45 -2.849 7.843 -7.394 1.00 2.35 C ATOM 704 O VAL A 45 -2.719 6.720 -7.901 1.00 45.42 O ATOM 705 CB VAL A 45 -2.396 7.358 -4.939 1.00 13.24 C ATOM 706 CG1 VAL A 45 -1.032 8.103 -4.923 1.00 71.35 C ATOM 707 CG2 VAL A 45 -3.013 7.291 -3.524 1.00 13.22 C ATOM 0 H VAL A 45 -4.734 6.474 -5.413 1.00 44.40 H new ATOM 0 HA VAL A 45 -3.511 9.063 -5.734 1.00 65.43 H new ATOM 0 HB VAL A 45 -2.201 6.338 -5.271 1.00 13.24 H new ATOM 0 HG11 VAL A 45 -0.366 7.627 -4.203 1.00 71.35 H new ATOM 0 HG12 VAL A 45 -0.583 8.061 -5.915 1.00 71.35 H new ATOM 0 HG13 VAL A 45 -1.189 9.144 -4.640 1.00 71.35 H new ATOM 0 HG21 VAL A 45 -2.297 6.842 -2.836 1.00 13.22 H new ATOM 0 HG22 VAL A 45 -3.259 8.298 -3.186 1.00 13.22 H new ATOM 0 HG23 VAL A 45 -3.919 6.686 -3.550 1.00 13.22 H new ATOM 717 N GLU A 46 -2.534 8.975 -8.033 1.00 33.40 N ATOM 718 CA GLU A 46 -1.924 9.001 -9.372 1.00 25.03 C ATOM 719 C GLU A 46 -0.386 8.877 -9.272 1.00 2.12 C ATOM 720 O GLU A 46 0.232 9.383 -8.320 1.00 24.44 O ATOM 721 CB GLU A 46 -2.314 10.314 -10.101 1.00 54.21 C ATOM 722 CG GLU A 46 -1.865 11.605 -9.379 1.00 74.22 C ATOM 723 CD GLU A 46 -2.218 12.881 -10.148 1.00 11.22 C ATOM 724 OE1 GLU A 46 -3.392 13.307 -10.100 1.00 24.24 O ATOM 725 OE2 GLU A 46 -1.325 13.456 -10.811 1.00 61.51 O ATOM 0 H GLU A 46 -2.694 9.902 -7.638 1.00 33.40 H new ATOM 0 HA GLU A 46 -2.297 8.152 -9.945 1.00 25.03 H new ATOM 0 HB2 GLU A 46 -1.880 10.302 -11.101 1.00 54.21 H new ATOM 0 HB3 GLU A 46 -3.397 10.339 -10.224 1.00 54.21 H new ATOM 0 HG2 GLU A 46 -2.329 11.642 -8.394 1.00 74.22 H new ATOM 0 HG3 GLU A 46 -0.787 11.570 -9.222 1.00 74.22 H new ATOM 732 N GLU A 47 0.219 8.187 -10.249 1.00 51.13 N ATOM 733 CA GLU A 47 1.685 8.125 -10.400 1.00 32.03 C ATOM 734 C GLU A 47 2.218 9.468 -10.959 1.00 5.32 C ATOM 735 O GLU A 47 2.304 9.666 -12.176 1.00 20.13 O ATOM 736 CB GLU A 47 2.096 6.941 -11.311 1.00 20.34 C ATOM 737 CG GLU A 47 1.630 5.556 -10.828 1.00 21.32 C ATOM 738 CD GLU A 47 2.121 4.403 -11.726 1.00 75.22 C ATOM 739 OE1 GLU A 47 1.452 4.088 -12.736 1.00 44.13 O ATOM 740 OE2 GLU A 47 3.189 3.821 -11.439 1.00 41.34 O ATOM 0 H GLU A 47 -0.290 7.657 -10.956 1.00 51.13 H new ATOM 0 HA GLU A 47 2.131 7.957 -9.419 1.00 32.03 H new ATOM 0 HB2 GLU A 47 1.695 7.115 -12.310 1.00 20.34 H new ATOM 0 HB3 GLU A 47 3.182 6.931 -11.401 1.00 20.34 H new ATOM 0 HG2 GLU A 47 1.988 5.394 -9.811 1.00 21.32 H new ATOM 0 HG3 GLU A 47 0.541 5.539 -10.789 1.00 21.32 H new ATOM 747 N SER A 48 2.507 10.400 -10.036 1.00 13.42 N ATOM 748 CA SER A 48 3.016 11.761 -10.348 1.00 4.24 C ATOM 749 C SER A 48 4.550 11.746 -10.621 1.00 54.12 C ATOM 750 O SER A 48 5.166 10.678 -10.695 1.00 54.45 O ATOM 751 CB SER A 48 2.663 12.706 -9.164 1.00 2.32 C ATOM 752 OG SER A 48 3.031 14.056 -9.419 1.00 21.20 O ATOM 0 H SER A 48 2.395 10.234 -9.036 1.00 13.42 H new ATOM 0 HA SER A 48 2.541 12.125 -11.259 1.00 4.24 H new ATOM 0 HB2 SER A 48 1.592 12.655 -8.969 1.00 2.32 H new ATOM 0 HB3 SER A 48 3.168 12.359 -8.263 1.00 2.32 H new ATOM 0 HG SER A 48 3.868 14.261 -8.953 1.00 21.20 H new ATOM 758 N ASP A 49 5.156 12.943 -10.765 1.00 44.02 N ATOM 759 CA ASP A 49 6.611 13.117 -11.018 1.00 42.33 C ATOM 760 C ASP A 49 7.489 12.422 -9.938 1.00 53.05 C ATOM 761 O ASP A 49 8.530 11.835 -10.247 1.00 21.10 O ATOM 762 CB ASP A 49 6.948 14.628 -11.075 1.00 45.53 C ATOM 763 CG ASP A 49 6.146 15.375 -12.154 1.00 2.21 C ATOM 764 OD1 ASP A 49 4.973 15.734 -11.899 1.00 5.10 O ATOM 765 OD2 ASP A 49 6.668 15.588 -13.264 1.00 4.02 O ATOM 0 H ASP A 49 4.649 13.826 -10.709 1.00 44.02 H new ATOM 0 HA ASP A 49 6.838 12.642 -11.973 1.00 42.33 H new ATOM 0 HB2 ASP A 49 6.747 15.078 -10.103 1.00 45.53 H new ATOM 0 HB3 ASP A 49 8.013 14.751 -11.269 1.00 45.53 H new ATOM 770 N PHE A 50 7.051 12.505 -8.669 1.00 22.12 N ATOM 771 CA PHE A 50 7.765 11.902 -7.514 1.00 64.14 C ATOM 772 C PHE A 50 6.927 10.785 -6.847 1.00 23.14 C ATOM 773 O PHE A 50 7.176 10.428 -5.699 1.00 11.23 O ATOM 774 CB PHE A 50 8.131 13.006 -6.480 1.00 73.54 C ATOM 775 CG PHE A 50 9.170 14.016 -6.978 1.00 4.51 C ATOM 776 CD1 PHE A 50 8.787 15.150 -7.699 1.00 13.42 C ATOM 777 CD2 PHE A 50 10.532 13.827 -6.729 1.00 21.20 C ATOM 778 CE1 PHE A 50 9.725 16.058 -8.150 1.00 34.35 C ATOM 779 CE2 PHE A 50 11.470 14.739 -7.185 1.00 40.44 C ATOM 780 CZ PHE A 50 11.066 15.854 -7.892 1.00 2.52 C ATOM 0 H PHE A 50 6.193 12.991 -8.408 1.00 22.12 H new ATOM 0 HA PHE A 50 8.682 11.444 -7.885 1.00 64.14 H new ATOM 0 HB2 PHE A 50 7.224 13.543 -6.202 1.00 73.54 H new ATOM 0 HB3 PHE A 50 8.509 12.529 -5.575 1.00 73.54 H new ATOM 0 HD1 PHE A 50 7.741 15.319 -7.907 1.00 13.42 H new ATOM 0 HD2 PHE A 50 10.857 12.959 -6.174 1.00 21.20 H new ATOM 0 HE1 PHE A 50 9.409 16.929 -8.705 1.00 34.35 H new ATOM 0 HE2 PHE A 50 12.519 14.577 -6.987 1.00 40.44 H new ATOM 0 HZ PHE A 50 11.798 16.566 -8.243 1.00 2.52 H new ATOM 790 N VAL A 51 5.940 10.223 -7.575 1.00 14.42 N ATOM 791 CA VAL A 51 5.083 9.115 -7.068 1.00 41.13 C ATOM 792 C VAL A 51 5.064 7.958 -8.090 1.00 11.21 C ATOM 793 O VAL A 51 4.722 8.168 -9.253 1.00 31.31 O ATOM 794 CB VAL A 51 3.602 9.593 -6.793 1.00 74.44 C ATOM 795 CG1 VAL A 51 2.731 8.458 -6.194 1.00 61.41 C ATOM 796 CG2 VAL A 51 3.578 10.856 -5.898 1.00 22.44 C ATOM 0 H VAL A 51 5.710 10.517 -8.524 1.00 14.42 H new ATOM 0 HA VAL A 51 5.510 8.777 -6.124 1.00 41.13 H new ATOM 0 HB VAL A 51 3.164 9.859 -7.755 1.00 74.44 H new ATOM 0 HG11 VAL A 51 1.721 8.828 -6.020 1.00 61.41 H new ATOM 0 HG12 VAL A 51 2.696 7.620 -6.891 1.00 61.41 H new ATOM 0 HG13 VAL A 51 3.164 8.127 -5.250 1.00 61.41 H new ATOM 0 HG21 VAL A 51 2.546 11.161 -5.726 1.00 22.44 H new ATOM 0 HG22 VAL A 51 4.054 10.634 -4.943 1.00 22.44 H new ATOM 0 HG23 VAL A 51 4.117 11.663 -6.394 1.00 22.44 H new ATOM 806 N VAL A 52 5.449 6.743 -7.655 1.00 33.32 N ATOM 807 CA VAL A 52 5.461 5.533 -8.518 1.00 23.11 C ATOM 808 C VAL A 52 4.824 4.323 -7.786 1.00 24.52 C ATOM 809 O VAL A 52 5.134 4.050 -6.622 1.00 74.24 O ATOM 810 CB VAL A 52 6.927 5.174 -9.006 1.00 34.04 C ATOM 811 CG1 VAL A 52 7.443 6.190 -10.060 1.00 74.13 C ATOM 812 CG2 VAL A 52 7.915 5.078 -7.814 1.00 62.21 C ATOM 0 H VAL A 52 5.760 6.567 -6.700 1.00 33.32 H new ATOM 0 HA VAL A 52 4.863 5.761 -9.400 1.00 23.11 H new ATOM 0 HB VAL A 52 6.873 4.194 -9.481 1.00 34.04 H new ATOM 0 HG11 VAL A 52 8.450 5.912 -10.371 1.00 74.13 H new ATOM 0 HG12 VAL A 52 6.781 6.184 -10.926 1.00 74.13 H new ATOM 0 HG13 VAL A 52 7.461 7.189 -9.624 1.00 74.13 H new ATOM 0 HG21 VAL A 52 8.910 4.831 -8.185 1.00 62.21 H new ATOM 0 HG22 VAL A 52 7.950 6.034 -7.292 1.00 62.21 H new ATOM 0 HG23 VAL A 52 7.581 4.301 -7.126 1.00 62.21 H new ATOM 822 N LEU A 53 3.907 3.621 -8.472 1.00 42.43 N ATOM 823 CA LEU A 53 3.280 2.386 -7.958 1.00 62.33 C ATOM 824 C LEU A 53 4.001 1.156 -8.568 1.00 33.21 C ATOM 825 O LEU A 53 3.817 0.841 -9.749 1.00 71.14 O ATOM 826 CB LEU A 53 1.757 2.356 -8.299 1.00 73.12 C ATOM 827 CG LEU A 53 0.903 3.553 -7.759 1.00 52.31 C ATOM 828 CD1 LEU A 53 -0.567 3.471 -8.244 1.00 3.43 C ATOM 829 CD2 LEU A 53 0.979 3.649 -6.216 1.00 74.04 C ATOM 0 H LEU A 53 3.578 3.891 -9.399 1.00 42.43 H new ATOM 0 HA LEU A 53 3.378 2.359 -6.873 1.00 62.33 H new ATOM 0 HB2 LEU A 53 1.649 2.320 -9.383 1.00 73.12 H new ATOM 0 HB3 LEU A 53 1.336 1.430 -7.906 1.00 73.12 H new ATOM 0 HG LEU A 53 1.332 4.467 -8.170 1.00 52.31 H new ATOM 0 HD11 LEU A 53 -1.128 4.318 -7.849 1.00 3.43 H new ATOM 0 HD12 LEU A 53 -0.593 3.495 -9.333 1.00 3.43 H new ATOM 0 HD13 LEU A 53 -1.015 2.542 -7.891 1.00 3.43 H new ATOM 0 HD21 LEU A 53 0.376 4.490 -5.874 1.00 74.04 H new ATOM 0 HD22 LEU A 53 0.600 2.727 -5.775 1.00 74.04 H new ATOM 0 HD23 LEU A 53 2.015 3.798 -5.911 1.00 74.04 H new ATOM 841 N GLU A 54 4.850 0.490 -7.767 1.00 55.44 N ATOM 842 CA GLU A 54 5.612 -0.701 -8.204 1.00 52.34 C ATOM 843 C GLU A 54 4.900 -1.991 -7.750 1.00 74.23 C ATOM 844 O GLU A 54 4.795 -2.272 -6.552 1.00 73.44 O ATOM 845 CB GLU A 54 7.062 -0.664 -7.654 1.00 51.25 C ATOM 846 CG GLU A 54 7.894 0.550 -8.124 1.00 2.11 C ATOM 847 CD GLU A 54 9.390 0.421 -7.791 1.00 61.52 C ATOM 848 OE1 GLU A 54 9.787 0.749 -6.656 1.00 34.20 O ATOM 849 OE2 GLU A 54 10.169 -0.027 -8.664 1.00 2.13 O ATOM 0 H GLU A 54 5.030 0.758 -6.800 1.00 55.44 H new ATOM 0 HA GLU A 54 5.660 -0.692 -9.293 1.00 52.34 H new ATOM 0 HB2 GLU A 54 7.024 -0.663 -6.565 1.00 51.25 H new ATOM 0 HB3 GLU A 54 7.575 -1.578 -7.954 1.00 51.25 H new ATOM 0 HG2 GLU A 54 7.776 0.668 -9.201 1.00 2.11 H new ATOM 0 HG3 GLU A 54 7.501 1.454 -7.659 1.00 2.11 H new ATOM 856 N ASN A 55 4.398 -2.766 -8.719 1.00 25.33 N ATOM 857 CA ASN A 55 3.590 -3.975 -8.456 1.00 51.23 C ATOM 858 C ASN A 55 4.333 -5.266 -8.889 1.00 54.31 C ATOM 859 O ASN A 55 5.094 -5.257 -9.866 1.00 33.03 O ATOM 860 CB ASN A 55 2.235 -3.854 -9.196 1.00 12.41 C ATOM 861 CG ASN A 55 1.425 -2.591 -8.845 1.00 32.31 C ATOM 862 OD1 ASN A 55 0.690 -2.067 -9.675 1.00 63.53 O ATOM 863 ND2 ASN A 55 1.520 -2.104 -7.616 1.00 75.24 N ATOM 0 H ASN A 55 4.538 -2.577 -9.711 1.00 25.33 H new ATOM 0 HA ASN A 55 3.417 -4.049 -7.382 1.00 51.23 H new ATOM 0 HB2 ASN A 55 2.420 -3.865 -10.270 1.00 12.41 H new ATOM 0 HB3 ASN A 55 1.631 -4.732 -8.968 1.00 12.41 H new ATOM 0 HD21 ASN A 55 0.977 -1.282 -7.350 1.00 75.24 H new ATOM 0 HD22 ASN A 55 2.136 -2.551 -6.937 1.00 75.24 H new ATOM 870 N GLU A 56 4.086 -6.367 -8.154 1.00 52.51 N ATOM 871 CA GLU A 56 4.634 -7.706 -8.459 1.00 41.52 C ATOM 872 C GLU A 56 3.785 -8.790 -7.751 1.00 15.31 C ATOM 873 O GLU A 56 3.856 -8.940 -6.523 1.00 2.32 O ATOM 874 CB GLU A 56 6.133 -7.812 -8.039 1.00 11.33 C ATOM 875 CG GLU A 56 6.796 -9.187 -8.312 1.00 44.44 C ATOM 876 CD GLU A 56 6.745 -9.622 -9.790 1.00 72.11 C ATOM 877 OE1 GLU A 56 7.613 -9.191 -10.580 1.00 3.34 O ATOM 878 OE2 GLU A 56 5.825 -10.381 -10.180 1.00 13.22 O ATOM 0 H GLU A 56 3.495 -6.354 -7.323 1.00 52.51 H new ATOM 0 HA GLU A 56 4.586 -7.865 -9.536 1.00 41.52 H new ATOM 0 HB2 GLU A 56 6.697 -7.043 -8.566 1.00 11.33 H new ATOM 0 HB3 GLU A 56 6.213 -7.593 -6.974 1.00 11.33 H new ATOM 0 HG2 GLU A 56 7.837 -9.148 -7.991 1.00 44.44 H new ATOM 0 HG3 GLU A 56 6.303 -9.945 -7.703 1.00 44.44 H new ATOM 885 N GLY A 57 2.968 -9.516 -8.547 1.00 73.12 N ATOM 886 CA GLY A 57 2.095 -10.585 -8.037 1.00 63.52 C ATOM 887 C GLY A 57 1.073 -10.111 -6.986 1.00 45.23 C ATOM 888 O GLY A 57 0.287 -9.201 -7.267 1.00 3.44 O ATOM 0 H GLY A 57 2.899 -9.375 -9.555 1.00 73.12 H new ATOM 0 HA2 GLY A 57 1.559 -11.033 -8.874 1.00 63.52 H new ATOM 0 HA3 GLY A 57 2.714 -11.368 -7.599 1.00 63.52 H new ATOM 892 N PRO A 58 1.039 -10.712 -5.753 1.00 10.24 N ATOM 893 CA PRO A 58 0.171 -10.217 -4.656 1.00 63.23 C ATOM 894 C PRO A 58 0.706 -8.914 -3.990 1.00 70.33 C ATOM 895 O PRO A 58 -0.069 -8.152 -3.407 1.00 0.31 O ATOM 896 CB PRO A 58 0.153 -11.409 -3.667 1.00 23.20 C ATOM 897 CG PRO A 58 1.475 -12.086 -3.870 1.00 12.15 C ATOM 898 CD PRO A 58 1.797 -11.934 -5.347 1.00 32.42 C ATOM 0 HA PRO A 58 -0.819 -9.929 -5.009 1.00 63.23 H new ATOM 0 HB2 PRO A 58 0.035 -11.069 -2.638 1.00 23.20 H new ATOM 0 HB3 PRO A 58 -0.676 -12.086 -3.876 1.00 23.20 H new ATOM 0 HG2 PRO A 58 2.248 -11.628 -3.252 1.00 12.15 H new ATOM 0 HG3 PRO A 58 1.423 -13.137 -3.588 1.00 12.15 H new ATOM 0 HD2 PRO A 58 2.868 -11.814 -5.513 1.00 32.42 H new ATOM 0 HD3 PRO A 58 1.482 -12.808 -5.917 1.00 32.42 H new ATOM 906 N HIS A 59 2.034 -8.654 -4.110 1.00 62.54 N ATOM 907 CA HIS A 59 2.705 -7.490 -3.467 1.00 4.33 C ATOM 908 C HIS A 59 2.472 -6.193 -4.291 1.00 50.31 C ATOM 909 O HIS A 59 2.820 -6.131 -5.472 1.00 23.34 O ATOM 910 CB HIS A 59 4.226 -7.748 -3.335 1.00 54.12 C ATOM 911 CG HIS A 59 4.602 -8.943 -2.501 1.00 34.35 C ATOM 912 ND1 HIS A 59 5.169 -8.833 -1.252 1.00 73.01 N ATOM 913 CD2 HIS A 59 4.554 -10.269 -2.769 1.00 11.12 C ATOM 914 CE1 HIS A 59 5.464 -10.031 -0.796 1.00 3.42 C ATOM 915 NE2 HIS A 59 5.098 -10.918 -1.694 1.00 14.11 N ATOM 0 H HIS A 59 2.668 -9.241 -4.652 1.00 62.54 H new ATOM 0 HA HIS A 59 2.273 -7.361 -2.475 1.00 4.33 H new ATOM 0 HB2 HIS A 59 4.645 -7.875 -4.333 1.00 54.12 H new ATOM 0 HB3 HIS A 59 4.693 -6.862 -2.904 1.00 54.12 H new ATOM 0 HD2 HIS A 59 4.160 -10.729 -3.663 1.00 11.12 H new ATOM 0 HE1 HIS A 59 5.928 -10.249 0.155 1.00 3.42 H new ATOM 0 HE2 HIS A 59 5.203 -11.929 -1.604 1.00 14.11 H new ATOM 924 N ARG A 60 1.876 -5.164 -3.661 1.00 0.11 N ATOM 925 CA ARG A 60 1.528 -3.880 -4.322 1.00 31.14 C ATOM 926 C ARG A 60 2.108 -2.688 -3.517 1.00 50.10 C ATOM 927 O ARG A 60 1.607 -2.353 -2.440 1.00 55.13 O ATOM 928 CB ARG A 60 -0.021 -3.768 -4.457 1.00 32.15 C ATOM 929 CG ARG A 60 -0.682 -4.939 -5.229 1.00 31.03 C ATOM 930 CD ARG A 60 -0.191 -5.025 -6.686 1.00 20.22 C ATOM 931 NE ARG A 60 -0.570 -6.282 -7.357 1.00 3.33 N ATOM 932 CZ ARG A 60 -0.769 -6.416 -8.656 1.00 11.31 C ATOM 933 NH1 ARG A 60 -0.816 -5.385 -9.440 1.00 14.53 N ATOM 934 NH2 ARG A 60 -0.987 -7.587 -9.149 1.00 75.14 N ATOM 0 H ARG A 60 1.619 -5.194 -2.674 1.00 0.11 H new ATOM 0 HA ARG A 60 1.966 -3.853 -5.320 1.00 31.14 H new ATOM 0 HB2 ARG A 60 -0.458 -3.714 -3.460 1.00 32.15 H new ATOM 0 HB3 ARG A 60 -0.263 -2.833 -4.962 1.00 32.15 H new ATOM 0 HG2 ARG A 60 -0.465 -5.877 -4.718 1.00 31.03 H new ATOM 0 HG3 ARG A 60 -1.765 -4.813 -5.219 1.00 31.03 H new ATOM 0 HD2 ARG A 60 -0.597 -4.184 -7.249 1.00 20.22 H new ATOM 0 HD3 ARG A 60 0.894 -4.926 -6.703 1.00 20.22 H new ATOM 0 HE ARG A 60 -0.687 -7.111 -6.774 1.00 3.33 H new ATOM 0 HH11 ARG A 60 -0.698 -4.447 -9.057 1.00 14.53 H new ATOM 0 HH12 ARG A 60 -0.971 -5.512 -10.440 1.00 14.53 H new ATOM 0 HH21 ARG A 60 -1.005 -8.403 -8.537 1.00 75.14 H new ATOM 0 HH22 ARG A 60 -1.141 -7.698 -10.151 1.00 75.14 H new ATOM 948 N ARG A 61 3.181 -2.073 -4.047 1.00 31.33 N ATOM 949 CA ARG A 61 3.951 -1.015 -3.350 1.00 53.31 C ATOM 950 C ARG A 61 3.617 0.401 -3.884 1.00 54.54 C ATOM 951 O ARG A 61 3.777 0.676 -5.077 1.00 42.14 O ATOM 952 CB ARG A 61 5.473 -1.277 -3.533 1.00 61.23 C ATOM 953 CG ARG A 61 5.971 -2.631 -2.986 1.00 75.22 C ATOM 954 CD ARG A 61 7.456 -2.879 -3.315 1.00 2.25 C ATOM 955 NE ARG A 61 7.972 -4.112 -2.688 1.00 73.44 N ATOM 956 CZ ARG A 61 9.243 -4.462 -2.632 1.00 75.42 C ATOM 957 NH1 ARG A 61 10.172 -3.746 -3.186 1.00 74.12 N ATOM 958 NH2 ARG A 61 9.573 -5.550 -2.019 1.00 24.15 N ATOM 0 H ARG A 61 3.543 -2.294 -4.975 1.00 31.33 H new ATOM 0 HA ARG A 61 3.675 -1.051 -2.296 1.00 53.31 H new ATOM 0 HB2 ARG A 61 5.711 -1.221 -4.595 1.00 61.23 H new ATOM 0 HB3 ARG A 61 6.026 -0.477 -3.040 1.00 61.23 H new ATOM 0 HG2 ARG A 61 5.830 -2.659 -1.905 1.00 75.22 H new ATOM 0 HG3 ARG A 61 5.368 -3.435 -3.407 1.00 75.22 H new ATOM 0 HD2 ARG A 61 7.580 -2.945 -4.396 1.00 2.25 H new ATOM 0 HD3 ARG A 61 8.047 -2.028 -2.978 1.00 2.25 H new ATOM 0 HE ARG A 61 7.292 -4.743 -2.264 1.00 73.44 H new ATOM 0 HH11 ARG A 61 9.928 -2.888 -3.681 1.00 74.12 H new ATOM 0 HH12 ARG A 61 11.147 -4.041 -3.127 1.00 74.12 H new ATOM 0 HH21 ARG A 61 8.854 -6.129 -1.585 1.00 24.15 H new ATOM 0 HH22 ARG A 61 10.552 -5.830 -1.969 1.00 24.15 H new ATOM 972 N LEU A 62 3.129 1.274 -2.993 1.00 15.42 N ATOM 973 CA LEU A 62 3.100 2.733 -3.208 1.00 51.12 C ATOM 974 C LEU A 62 4.445 3.324 -2.735 1.00 23.52 C ATOM 975 O LEU A 62 4.716 3.386 -1.533 1.00 62.20 O ATOM 976 CB LEU A 62 1.887 3.355 -2.449 1.00 35.45 C ATOM 977 CG LEU A 62 1.591 4.890 -2.682 1.00 73.41 C ATOM 978 CD1 LEU A 62 0.089 5.198 -2.507 1.00 13.21 C ATOM 979 CD2 LEU A 62 2.425 5.802 -1.749 1.00 72.53 C ATOM 0 H LEU A 62 2.739 0.989 -2.095 1.00 15.42 H new ATOM 0 HA LEU A 62 2.972 2.967 -4.265 1.00 51.12 H new ATOM 0 HB2 LEU A 62 0.994 2.794 -2.725 1.00 35.45 H new ATOM 0 HB3 LEU A 62 2.043 3.201 -1.381 1.00 35.45 H new ATOM 0 HG LEU A 62 1.885 5.107 -3.709 1.00 73.41 H new ATOM 0 HD11 LEU A 62 -0.086 6.261 -2.673 1.00 13.21 H new ATOM 0 HD12 LEU A 62 -0.488 4.618 -3.228 1.00 13.21 H new ATOM 0 HD13 LEU A 62 -0.222 4.933 -1.496 1.00 13.21 H new ATOM 0 HD21 LEU A 62 2.184 6.846 -1.950 1.00 72.53 H new ATOM 0 HD22 LEU A 62 2.192 5.569 -0.710 1.00 72.53 H new ATOM 0 HD23 LEU A 62 3.487 5.634 -1.930 1.00 72.53 H new ATOM 991 N VAL A 63 5.294 3.730 -3.687 1.00 33.22 N ATOM 992 CA VAL A 63 6.657 4.232 -3.399 1.00 14.25 C ATOM 993 C VAL A 63 6.724 5.777 -3.537 1.00 42.23 C ATOM 994 O VAL A 63 6.404 6.337 -4.599 1.00 20.02 O ATOM 995 CB VAL A 63 7.719 3.562 -4.356 1.00 42.11 C ATOM 996 CG1 VAL A 63 9.171 3.963 -3.978 1.00 42.34 C ATOM 997 CG2 VAL A 63 7.547 2.020 -4.392 1.00 64.34 C ATOM 0 H VAL A 63 5.062 3.723 -4.680 1.00 33.22 H new ATOM 0 HA VAL A 63 6.894 3.964 -2.369 1.00 14.25 H new ATOM 0 HB VAL A 63 7.535 3.940 -5.361 1.00 42.11 H new ATOM 0 HG11 VAL A 63 9.871 3.481 -4.660 1.00 42.34 H new ATOM 0 HG12 VAL A 63 9.280 5.045 -4.051 1.00 42.34 H new ATOM 0 HG13 VAL A 63 9.382 3.645 -2.957 1.00 42.34 H new ATOM 0 HG21 VAL A 63 8.292 1.586 -5.059 1.00 64.34 H new ATOM 0 HG22 VAL A 63 7.679 1.616 -3.388 1.00 64.34 H new ATOM 0 HG23 VAL A 63 6.549 1.774 -4.754 1.00 64.34 H new ATOM 1007 N LEU A 64 7.140 6.450 -2.448 1.00 32.24 N ATOM 1008 CA LEU A 64 7.361 7.914 -2.416 1.00 51.22 C ATOM 1009 C LEU A 64 8.856 8.214 -2.117 1.00 10.42 C ATOM 1010 O LEU A 64 9.260 8.140 -0.959 1.00 63.45 O ATOM 1011 CB LEU A 64 6.415 8.604 -1.355 1.00 33.14 C ATOM 1012 CG LEU A 64 5.370 9.618 -1.920 1.00 3.42 C ATOM 1013 CD1 LEU A 64 6.061 10.741 -2.727 1.00 64.50 C ATOM 1014 CD2 LEU A 64 4.288 8.897 -2.750 1.00 22.12 C ATOM 0 H LEU A 64 7.335 5.993 -1.557 1.00 32.24 H new ATOM 0 HA LEU A 64 7.113 8.330 -3.392 1.00 51.22 H new ATOM 0 HB2 LEU A 64 5.878 7.824 -0.816 1.00 33.14 H new ATOM 0 HB3 LEU A 64 7.038 9.124 -0.627 1.00 33.14 H new ATOM 0 HG LEU A 64 4.868 10.090 -1.075 1.00 3.42 H new ATOM 0 HD11 LEU A 64 5.308 11.431 -3.108 1.00 64.50 H new ATOM 0 HD12 LEU A 64 6.754 11.280 -2.081 1.00 64.50 H new ATOM 0 HD13 LEU A 64 6.609 10.305 -3.562 1.00 64.50 H new ATOM 0 HD21 LEU A 64 3.574 9.628 -3.131 1.00 22.12 H new ATOM 0 HD22 LEU A 64 4.757 8.378 -3.586 1.00 22.12 H new ATOM 0 HD23 LEU A 64 3.767 8.175 -2.121 1.00 22.12 H new ATOM 1026 N PRO A 65 9.706 8.521 -3.162 1.00 60.10 N ATOM 1027 CA PRO A 65 11.134 8.936 -2.967 1.00 52.10 C ATOM 1028 C PRO A 65 11.287 10.198 -2.064 1.00 50.13 C ATOM 1029 O PRO A 65 12.165 10.258 -1.196 1.00 64.04 O ATOM 1030 CB PRO A 65 11.630 9.206 -4.422 1.00 45.14 C ATOM 1031 CG PRO A 65 10.380 9.379 -5.231 1.00 71.15 C ATOM 1032 CD PRO A 65 9.372 8.442 -4.610 1.00 13.21 C ATOM 0 HA PRO A 65 11.713 8.174 -2.445 1.00 52.10 H new ATOM 0 HB2 PRO A 65 12.256 10.097 -4.467 1.00 45.14 H new ATOM 0 HB3 PRO A 65 12.230 8.376 -4.795 1.00 45.14 H new ATOM 0 HG2 PRO A 65 10.030 10.411 -5.199 1.00 71.15 H new ATOM 0 HG3 PRO A 65 10.552 9.133 -6.279 1.00 71.15 H new ATOM 0 HD2 PRO A 65 8.348 8.759 -4.808 1.00 13.21 H new ATOM 0 HD3 PRO A 65 9.471 7.427 -4.994 1.00 13.21 H new ATOM 1040 N ALA A 66 10.425 11.201 -2.292 1.00 74.02 N ATOM 1041 CA ALA A 66 10.368 12.435 -1.482 1.00 11.01 C ATOM 1042 C ALA A 66 8.900 12.719 -1.114 1.00 31.42 C ATOM 1043 O ALA A 66 8.137 13.224 -1.950 1.00 52.32 O ATOM 1044 CB ALA A 66 11.004 13.609 -2.251 1.00 53.42 C ATOM 0 H ALA A 66 9.741 11.181 -3.049 1.00 74.02 H new ATOM 0 HA ALA A 66 10.939 12.309 -0.562 1.00 11.01 H new ATOM 0 HB1 ALA A 66 10.955 14.512 -1.642 1.00 53.42 H new ATOM 0 HB2 ALA A 66 12.046 13.377 -2.473 1.00 53.42 H new ATOM 0 HB3 ALA A 66 10.462 13.770 -3.183 1.00 53.42 H new ATOM 1050 N THR A 67 8.505 12.351 0.121 1.00 33.13 N ATOM 1051 CA THR A 67 7.090 12.393 0.568 1.00 74.42 C ATOM 1052 C THR A 67 6.584 13.849 0.753 1.00 64.11 C ATOM 1053 O THR A 67 6.677 14.434 1.839 1.00 31.40 O ATOM 1054 CB THR A 67 6.888 11.565 1.884 1.00 64.45 C ATOM 1055 OG1 THR A 67 7.541 10.289 1.756 1.00 74.25 O ATOM 1056 CG2 THR A 67 5.395 11.334 2.205 1.00 2.20 C ATOM 0 H THR A 67 9.151 12.017 0.837 1.00 33.13 H new ATOM 0 HA THR A 67 6.492 11.936 -0.220 1.00 74.42 H new ATOM 0 HB THR A 67 7.323 12.141 2.701 1.00 64.45 H new ATOM 0 HG1 THR A 67 8.511 10.410 1.819 1.00 74.25 H new ATOM 0 HG21 THR A 67 5.306 10.756 3.125 1.00 2.20 H new ATOM 0 HG22 THR A 67 4.897 12.295 2.331 1.00 2.20 H new ATOM 0 HG23 THR A 67 4.927 10.787 1.386 1.00 2.20 H new ATOM 1064 N GLN A 68 6.074 14.424 -0.350 1.00 63.42 N ATOM 1065 CA GLN A 68 5.590 15.826 -0.405 1.00 14.30 C ATOM 1066 C GLN A 68 4.240 16.002 0.346 1.00 22.32 C ATOM 1067 O GLN A 68 3.479 15.039 0.453 1.00 32.22 O ATOM 1068 CB GLN A 68 5.456 16.265 -1.891 1.00 10.30 C ATOM 1069 CG GLN A 68 6.785 16.258 -2.677 1.00 14.42 C ATOM 1070 CD GLN A 68 6.657 16.779 -4.114 1.00 34.53 C ATOM 1071 OE1 GLN A 68 5.825 17.629 -4.418 1.00 31.14 O ATOM 1072 NE2 GLN A 68 7.484 16.278 -5.005 1.00 3.11 N ATOM 0 H GLN A 68 5.983 13.930 -1.238 1.00 63.42 H new ATOM 0 HA GLN A 68 6.318 16.462 0.099 1.00 14.30 H new ATOM 0 HB2 GLN A 68 4.748 15.604 -2.391 1.00 10.30 H new ATOM 0 HB3 GLN A 68 5.033 17.269 -1.925 1.00 10.30 H new ATOM 0 HG2 GLN A 68 7.515 16.867 -2.143 1.00 14.42 H new ATOM 0 HG3 GLN A 68 7.176 15.241 -2.703 1.00 14.42 H new ATOM 0 HE21 GLN A 68 8.167 15.573 -4.727 1.00 3.11 H new ATOM 0 HE22 GLN A 68 7.443 16.595 -5.974 1.00 3.11 H new ATOM 1081 N PRO A 69 3.922 17.243 0.878 1.00 24.02 N ATOM 1082 CA PRO A 69 2.651 17.530 1.627 1.00 0.43 C ATOM 1083 C PRO A 69 1.349 17.089 0.886 1.00 71.50 C ATOM 1084 O PRO A 69 0.338 16.781 1.529 1.00 64.04 O ATOM 1085 CB PRO A 69 2.692 19.075 1.847 1.00 34.24 C ATOM 1086 CG PRO A 69 3.790 19.579 0.948 1.00 2.30 C ATOM 1087 CD PRO A 69 4.785 18.454 0.843 1.00 60.12 C ATOM 0 HA PRO A 69 2.608 16.956 2.552 1.00 0.43 H new ATOM 0 HB2 PRO A 69 1.736 19.533 1.594 1.00 34.24 H new ATOM 0 HB3 PRO A 69 2.896 19.318 2.890 1.00 34.24 H new ATOM 0 HG2 PRO A 69 3.399 19.848 -0.033 1.00 2.30 H new ATOM 0 HG3 PRO A 69 4.254 20.474 1.362 1.00 2.30 H new ATOM 0 HD2 PRO A 69 5.364 18.511 -0.079 1.00 60.12 H new ATOM 0 HD3 PRO A 69 5.497 18.466 1.668 1.00 60.12 H new ATOM 1095 N SER A 70 1.398 17.065 -0.465 1.00 61.13 N ATOM 1096 CA SER A 70 0.302 16.542 -1.324 1.00 62.03 C ATOM 1097 C SER A 70 -0.023 15.060 -1.017 1.00 3.21 C ATOM 1098 O SER A 70 -1.186 14.660 -1.018 1.00 11.31 O ATOM 1099 CB SER A 70 0.683 16.690 -2.814 1.00 44.53 C ATOM 1100 OG SER A 70 1.930 16.063 -3.098 1.00 65.52 O ATOM 0 H SER A 70 2.199 17.408 -0.995 1.00 61.13 H new ATOM 0 HA SER A 70 -0.590 17.130 -1.107 1.00 62.03 H new ATOM 0 HB2 SER A 70 -0.097 16.250 -3.436 1.00 44.53 H new ATOM 0 HB3 SER A 70 0.739 17.747 -3.073 1.00 44.53 H new ATOM 0 HG SER A 70 1.833 15.091 -3.017 1.00 65.52 H new ATOM 1106 N ASP A 71 1.026 14.259 -0.760 1.00 42.33 N ATOM 1107 CA ASP A 71 0.914 12.812 -0.450 1.00 71.32 C ATOM 1108 C ASP A 71 0.813 12.530 1.077 1.00 44.31 C ATOM 1109 O ASP A 71 1.044 11.404 1.528 1.00 71.11 O ATOM 1110 CB ASP A 71 2.112 12.067 -1.088 1.00 15.13 C ATOM 1111 CG ASP A 71 2.169 12.280 -2.609 1.00 60.35 C ATOM 1112 OD1 ASP A 71 1.438 11.575 -3.342 1.00 44.24 O ATOM 1113 OD2 ASP A 71 2.896 13.192 -3.067 1.00 20.34 O ATOM 0 H ASP A 71 1.989 14.596 -0.760 1.00 42.33 H new ATOM 0 HA ASP A 71 -0.017 12.441 -0.878 1.00 71.32 H new ATOM 0 HB2 ASP A 71 3.040 12.417 -0.636 1.00 15.13 H new ATOM 0 HB3 ASP A 71 2.034 11.001 -0.872 1.00 15.13 H new ATOM 1118 N GLY A 72 0.465 13.562 1.864 1.00 41.24 N ATOM 1119 CA GLY A 72 0.139 13.393 3.295 1.00 71.12 C ATOM 1120 C GLY A 72 -1.358 13.186 3.521 1.00 64.23 C ATOM 1121 O GLY A 72 -2.145 14.113 3.312 1.00 15.14 O ATOM 0 H GLY A 72 0.401 14.525 1.535 1.00 41.24 H new ATOM 0 HA2 GLY A 72 0.687 12.539 3.693 1.00 71.12 H new ATOM 0 HA3 GLY A 72 0.471 14.271 3.849 1.00 71.12 H new ATOM 1125 N GLY A 73 -1.754 11.970 3.942 1.00 31.14 N ATOM 1126 CA GLY A 73 -3.173 11.645 4.155 1.00 3.05 C ATOM 1127 C GLY A 73 -3.417 10.193 4.575 1.00 24.05 C ATOM 1128 O GLY A 73 -2.484 9.485 4.972 1.00 70.35 O ATOM 0 H GLY A 73 -1.113 11.201 4.140 1.00 31.14 H new ATOM 0 HA2 GLY A 73 -3.577 12.308 4.920 1.00 3.05 H new ATOM 0 HA3 GLY A 73 -3.724 11.845 3.236 1.00 3.05 H new ATOM 1132 N GLU A 74 -4.689 9.759 4.498 1.00 44.54 N ATOM 1133 CA GLU A 74 -5.112 8.394 4.888 1.00 4.14 C ATOM 1134 C GLU A 74 -5.267 7.482 3.644 1.00 23.32 C ATOM 1135 O GLU A 74 -6.253 7.580 2.911 1.00 52.13 O ATOM 1136 CB GLU A 74 -6.444 8.462 5.681 1.00 42.04 C ATOM 1137 CG GLU A 74 -6.357 9.243 7.010 1.00 74.34 C ATOM 1138 CD GLU A 74 -7.693 9.279 7.771 1.00 33.45 C ATOM 1139 OE1 GLU A 74 -8.020 8.289 8.471 1.00 72.23 O ATOM 1140 OE2 GLU A 74 -8.430 10.286 7.657 1.00 33.03 O ATOM 0 H GLU A 74 -5.456 10.343 4.164 1.00 44.54 H new ATOM 0 HA GLU A 74 -4.340 7.961 5.524 1.00 4.14 H new ATOM 0 HB2 GLU A 74 -7.204 8.924 5.051 1.00 42.04 H new ATOM 0 HB3 GLU A 74 -6.779 7.446 5.892 1.00 42.04 H new ATOM 0 HG2 GLU A 74 -5.596 8.788 7.644 1.00 74.34 H new ATOM 0 HG3 GLU A 74 -6.033 10.264 6.805 1.00 74.34 H new ATOM 1147 N PHE A 75 -4.297 6.574 3.433 1.00 21.13 N ATOM 1148 CA PHE A 75 -4.233 5.739 2.219 1.00 41.22 C ATOM 1149 C PHE A 75 -5.013 4.416 2.393 1.00 50.51 C ATOM 1150 O PHE A 75 -4.647 3.555 3.198 1.00 13.22 O ATOM 1151 CB PHE A 75 -2.753 5.489 1.832 1.00 32.22 C ATOM 1152 CG PHE A 75 -2.049 6.758 1.345 1.00 14.32 C ATOM 1153 CD1 PHE A 75 -1.616 7.731 2.243 1.00 10.33 C ATOM 1154 CD2 PHE A 75 -1.849 6.989 -0.014 1.00 23.20 C ATOM 1155 CE1 PHE A 75 -0.999 8.885 1.798 1.00 42.02 C ATOM 1156 CE2 PHE A 75 -1.234 8.145 -0.457 1.00 42.44 C ATOM 1157 CZ PHE A 75 -0.810 9.091 0.448 1.00 54.43 C ATOM 0 H PHE A 75 -3.540 6.399 4.094 1.00 21.13 H new ATOM 0 HA PHE A 75 -4.717 6.276 1.403 1.00 41.22 H new ATOM 0 HB2 PHE A 75 -2.219 5.090 2.694 1.00 32.22 H new ATOM 0 HB3 PHE A 75 -2.709 4.731 1.050 1.00 32.22 H new ATOM 0 HD1 PHE A 75 -1.765 7.581 3.302 1.00 10.33 H new ATOM 0 HD2 PHE A 75 -2.180 6.254 -0.733 1.00 23.20 H new ATOM 0 HE1 PHE A 75 -0.665 9.626 2.509 1.00 42.02 H new ATOM 0 HE2 PHE A 75 -1.086 8.306 -1.515 1.00 42.44 H new ATOM 0 HZ PHE A 75 -0.330 9.994 0.101 1.00 54.43 H new ATOM 1167 N GLN A 76 -6.090 4.281 1.596 1.00 23.03 N ATOM 1168 CA GLN A 76 -7.005 3.137 1.626 1.00 54.15 C ATOM 1169 C GLN A 76 -6.688 2.168 0.464 1.00 14.32 C ATOM 1170 O GLN A 76 -6.948 2.472 -0.709 1.00 12.41 O ATOM 1171 CB GLN A 76 -8.477 3.630 1.532 1.00 13.51 C ATOM 1172 CG GLN A 76 -9.535 2.512 1.652 1.00 60.15 C ATOM 1173 CD GLN A 76 -10.971 2.988 1.401 1.00 0.02 C ATOM 1174 OE1 GLN A 76 -11.213 3.914 0.634 1.00 3.44 O ATOM 1175 NE2 GLN A 76 -11.935 2.361 2.045 1.00 73.52 N ATOM 0 H GLN A 76 -6.349 4.981 0.901 1.00 23.03 H new ATOM 0 HA GLN A 76 -6.873 2.604 2.568 1.00 54.15 H new ATOM 0 HB2 GLN A 76 -8.652 4.364 2.318 1.00 13.51 H new ATOM 0 HB3 GLN A 76 -8.615 4.143 0.580 1.00 13.51 H new ATOM 0 HG2 GLN A 76 -9.295 1.720 0.942 1.00 60.15 H new ATOM 0 HG3 GLN A 76 -9.476 2.075 2.649 1.00 60.15 H new ATOM 0 HE21 GLN A 76 -11.710 1.593 2.678 1.00 73.52 H new ATOM 0 HE22 GLN A 76 -12.906 2.643 1.910 1.00 73.52 H new ATOM 1184 N CYS A 77 -6.097 1.016 0.804 1.00 31.14 N ATOM 1185 CA CYS A 77 -5.802 -0.058 -0.160 1.00 14.25 C ATOM 1186 C CYS A 77 -7.085 -0.869 -0.436 1.00 2.14 C ATOM 1187 O CYS A 77 -7.453 -1.734 0.353 1.00 2.31 O ATOM 1188 CB CYS A 77 -4.705 -0.975 0.424 1.00 12.02 C ATOM 1189 SG CYS A 77 -3.382 -0.089 1.268 1.00 41.45 S ATOM 0 H CYS A 77 -5.808 0.799 1.758 1.00 31.14 H new ATOM 0 HA CYS A 77 -5.449 0.371 -1.098 1.00 14.25 H new ATOM 0 HB2 CYS A 77 -5.164 -1.674 1.123 1.00 12.02 H new ATOM 0 HB3 CYS A 77 -4.274 -1.568 -0.383 1.00 12.02 H new ATOM 0 HG CYS A 77 -2.493 0.293 0.400 1.00 41.45 H new ATOM 1195 N VAL A 78 -7.782 -0.567 -1.535 1.00 53.10 N ATOM 1196 CA VAL A 78 -9.056 -1.232 -1.878 1.00 44.31 C ATOM 1197 C VAL A 78 -8.806 -2.464 -2.773 1.00 32.34 C ATOM 1198 O VAL A 78 -8.549 -2.331 -3.973 1.00 71.33 O ATOM 1199 CB VAL A 78 -10.045 -0.237 -2.590 1.00 60.03 C ATOM 1200 CG1 VAL A 78 -11.381 -0.924 -2.973 1.00 30.45 C ATOM 1201 CG2 VAL A 78 -10.284 1.016 -1.721 1.00 42.51 C ATOM 0 H VAL A 78 -7.488 0.138 -2.211 1.00 53.10 H new ATOM 0 HA VAL A 78 -9.516 -1.563 -0.947 1.00 44.31 H new ATOM 0 HB VAL A 78 -9.575 0.082 -3.520 1.00 60.03 H new ATOM 0 HG11 VAL A 78 -12.035 -0.202 -3.462 1.00 30.45 H new ATOM 0 HG12 VAL A 78 -11.182 -1.752 -3.653 1.00 30.45 H new ATOM 0 HG13 VAL A 78 -11.867 -1.302 -2.073 1.00 30.45 H new ATOM 0 HG21 VAL A 78 -10.971 1.689 -2.234 1.00 42.51 H new ATOM 0 HG22 VAL A 78 -10.714 0.719 -0.764 1.00 42.51 H new ATOM 0 HG23 VAL A 78 -9.336 1.526 -1.550 1.00 42.51 H new ATOM 1211 N ALA A 79 -8.859 -3.659 -2.168 1.00 72.34 N ATOM 1212 CA ALA A 79 -8.786 -4.934 -2.911 1.00 23.30 C ATOM 1213 C ALA A 79 -10.117 -5.191 -3.654 1.00 42.45 C ATOM 1214 O ALA A 79 -10.149 -5.359 -4.878 1.00 25.42 O ATOM 1215 CB ALA A 79 -8.458 -6.090 -1.949 1.00 45.24 C ATOM 0 H ALA A 79 -8.953 -3.774 -1.159 1.00 72.34 H new ATOM 0 HA ALA A 79 -7.988 -4.872 -3.651 1.00 23.30 H new ATOM 0 HB1 ALA A 79 -8.407 -7.025 -2.507 1.00 45.24 H new ATOM 0 HB2 ALA A 79 -7.498 -5.902 -1.468 1.00 45.24 H new ATOM 0 HB3 ALA A 79 -9.236 -6.163 -1.190 1.00 45.24 H new ATOM 1221 N GLY A 80 -11.214 -5.184 -2.878 1.00 35.32 N ATOM 1222 CA GLY A 80 -12.558 -5.477 -3.393 1.00 72.42 C ATOM 1223 C GLY A 80 -13.536 -5.739 -2.254 1.00 72.42 C ATOM 1224 O GLY A 80 -14.517 -5.010 -2.070 1.00 72.14 O ATOM 0 H GLY A 80 -11.192 -4.976 -1.880 1.00 35.32 H new ATOM 0 HA2 GLY A 80 -12.911 -4.639 -3.994 1.00 72.42 H new ATOM 0 HA3 GLY A 80 -12.518 -6.346 -4.049 1.00 72.42 H new ATOM 1228 N ASP A 81 -13.255 -6.804 -1.484 1.00 41.14 N ATOM 1229 CA ASP A 81 -13.943 -7.081 -0.204 1.00 53.12 C ATOM 1230 C ASP A 81 -13.277 -6.265 0.926 1.00 2.24 C ATOM 1231 O ASP A 81 -13.949 -5.581 1.701 1.00 1.23 O ATOM 1232 CB ASP A 81 -13.874 -8.598 0.112 1.00 62.14 C ATOM 1233 CG ASP A 81 -14.494 -8.988 1.468 1.00 64.30 C ATOM 1234 OD1 ASP A 81 -15.728 -9.166 1.544 1.00 24.34 O ATOM 1235 OD2 ASP A 81 -13.744 -9.120 2.464 1.00 10.13 O ATOM 0 H ASP A 81 -12.547 -7.497 -1.727 1.00 41.14 H new ATOM 0 HA ASP A 81 -14.990 -6.789 -0.282 1.00 53.12 H new ATOM 0 HB2 ASP A 81 -14.384 -9.147 -0.680 1.00 62.14 H new ATOM 0 HB3 ASP A 81 -12.831 -8.914 0.097 1.00 62.14 H new ATOM 1240 N GLU A 82 -11.945 -6.360 0.994 1.00 72.05 N ATOM 1241 CA GLU A 82 -11.133 -5.718 2.040 1.00 45.02 C ATOM 1242 C GLU A 82 -10.608 -4.321 1.633 1.00 71.50 C ATOM 1243 O GLU A 82 -10.450 -4.005 0.443 1.00 14.32 O ATOM 1244 CB GLU A 82 -9.952 -6.654 2.402 1.00 64.14 C ATOM 1245 CG GLU A 82 -10.316 -7.816 3.349 1.00 32.40 C ATOM 1246 CD GLU A 82 -10.520 -7.351 4.796 1.00 63.24 C ATOM 1247 OE1 GLU A 82 -9.512 -7.102 5.488 1.00 25.34 O ATOM 1248 OE2 GLU A 82 -11.683 -7.221 5.240 1.00 1.44 O ATOM 0 H GLU A 82 -11.392 -6.889 0.319 1.00 72.05 H new ATOM 0 HA GLU A 82 -11.776 -5.558 2.906 1.00 45.02 H new ATOM 0 HB2 GLU A 82 -9.540 -7.069 1.482 1.00 64.14 H new ATOM 0 HB3 GLU A 82 -9.164 -6.060 2.865 1.00 64.14 H new ATOM 0 HG2 GLU A 82 -11.227 -8.299 2.994 1.00 32.40 H new ATOM 0 HG3 GLU A 82 -9.526 -8.566 3.320 1.00 32.40 H new ATOM 1255 N CYS A 83 -10.330 -3.509 2.672 1.00 62.44 N ATOM 1256 CA CYS A 83 -9.734 -2.169 2.556 1.00 33.21 C ATOM 1257 C CYS A 83 -8.791 -1.906 3.754 1.00 34.04 C ATOM 1258 O CYS A 83 -9.229 -1.876 4.912 1.00 41.20 O ATOM 1259 CB CYS A 83 -10.842 -1.091 2.481 1.00 41.24 C ATOM 1260 SG CYS A 83 -11.970 -1.060 3.897 1.00 3.14 S ATOM 0 H CYS A 83 -10.520 -3.776 3.638 1.00 62.44 H new ATOM 0 HA CYS A 83 -9.150 -2.118 1.637 1.00 33.21 H new ATOM 0 HB2 CYS A 83 -10.371 -0.112 2.388 1.00 41.24 H new ATOM 0 HB3 CYS A 83 -11.425 -1.252 1.574 1.00 41.24 H new ATOM 0 HG CYS A 83 -11.319 -1.374 4.978 1.00 3.14 H new ATOM 1266 N ALA A 84 -7.488 -1.731 3.463 1.00 65.44 N ATOM 1267 CA ALA A 84 -6.445 -1.456 4.481 1.00 34.14 C ATOM 1268 C ALA A 84 -6.215 0.062 4.621 1.00 31.41 C ATOM 1269 O ALA A 84 -6.479 0.810 3.685 1.00 2.43 O ATOM 1270 CB ALA A 84 -5.144 -2.164 4.085 1.00 22.03 C ATOM 0 H ALA A 84 -7.123 -1.776 2.512 1.00 65.44 H new ATOM 0 HA ALA A 84 -6.778 -1.837 5.446 1.00 34.14 H new ATOM 0 HB1 ALA A 84 -4.377 -1.962 4.833 1.00 22.03 H new ATOM 0 HB2 ALA A 84 -5.318 -3.238 4.025 1.00 22.03 H new ATOM 0 HB3 ALA A 84 -4.810 -1.796 3.115 1.00 22.03 H new ATOM 1276 N TYR A 85 -5.732 0.517 5.795 1.00 45.15 N ATOM 1277 CA TYR A 85 -5.585 1.971 6.091 1.00 52.33 C ATOM 1278 C TYR A 85 -4.178 2.324 6.629 1.00 53.22 C ATOM 1279 O TYR A 85 -3.713 1.750 7.619 1.00 42.54 O ATOM 1280 CB TYR A 85 -6.678 2.429 7.096 1.00 70.03 C ATOM 1281 CG TYR A 85 -8.109 2.337 6.531 1.00 20.25 C ATOM 1282 CD1 TYR A 85 -8.649 3.380 5.771 1.00 1.20 C ATOM 1283 CD2 TYR A 85 -8.902 1.200 6.721 1.00 33.02 C ATOM 1284 CE1 TYR A 85 -9.920 3.291 5.240 1.00 10.30 C ATOM 1285 CE2 TYR A 85 -10.170 1.111 6.184 1.00 10.43 C ATOM 1286 CZ TYR A 85 -10.672 2.158 5.443 1.00 60.24 C ATOM 1287 OH TYR A 85 -11.938 2.074 4.907 1.00 12.33 O ATOM 0 H TYR A 85 -5.436 -0.093 6.557 1.00 45.15 H new ATOM 0 HA TYR A 85 -5.712 2.506 5.150 1.00 52.33 H new ATOM 0 HB2 TYR A 85 -6.611 1.818 7.996 1.00 70.03 H new ATOM 0 HB3 TYR A 85 -6.479 3.459 7.393 1.00 70.03 H new ATOM 0 HD1 TYR A 85 -8.062 4.270 5.597 1.00 1.20 H new ATOM 0 HD2 TYR A 85 -8.514 0.375 7.300 1.00 33.02 H new ATOM 0 HE1 TYR A 85 -10.324 4.111 4.665 1.00 10.30 H new ATOM 0 HE2 TYR A 85 -10.766 0.225 6.344 1.00 10.43 H new ATOM 0 HH TYR A 85 -12.098 1.162 4.587 1.00 12.33 H new ATOM 1297 N PHE A 86 -3.513 3.273 5.948 1.00 35.14 N ATOM 1298 CA PHE A 86 -2.244 3.895 6.392 1.00 73.24 C ATOM 1299 C PHE A 86 -2.498 5.375 6.755 1.00 51.11 C ATOM 1300 O PHE A 86 -3.251 6.054 6.062 1.00 3.01 O ATOM 1301 CB PHE A 86 -1.172 3.814 5.268 1.00 44.34 C ATOM 1302 CG PHE A 86 -0.731 2.394 4.898 1.00 41.51 C ATOM 1303 CD1 PHE A 86 -1.466 1.617 4.001 1.00 71.35 C ATOM 1304 CD2 PHE A 86 0.433 1.843 5.438 1.00 35.24 C ATOM 1305 CE1 PHE A 86 -1.051 0.342 3.660 1.00 0.32 C ATOM 1306 CE2 PHE A 86 0.844 0.569 5.095 1.00 63.22 C ATOM 1307 CZ PHE A 86 0.106 -0.180 4.206 1.00 1.12 C ATOM 0 H PHE A 86 -3.845 3.639 5.056 1.00 35.14 H new ATOM 0 HA PHE A 86 -1.876 3.356 7.265 1.00 73.24 H new ATOM 0 HB2 PHE A 86 -1.565 4.301 4.375 1.00 44.34 H new ATOM 0 HB3 PHE A 86 -0.295 4.381 5.581 1.00 44.34 H new ATOM 0 HD1 PHE A 86 -2.371 2.017 3.567 1.00 71.35 H new ATOM 0 HD2 PHE A 86 1.021 2.422 6.135 1.00 35.24 H new ATOM 0 HE1 PHE A 86 -1.632 -0.246 2.966 1.00 0.32 H new ATOM 0 HE2 PHE A 86 1.746 0.160 5.525 1.00 63.22 H new ATOM 0 HZ PHE A 86 0.431 -1.174 3.936 1.00 1.12 H new ATOM 1317 N THR A 87 -1.888 5.872 7.846 1.00 50.22 N ATOM 1318 CA THR A 87 -1.923 7.317 8.188 1.00 71.31 C ATOM 1319 C THR A 87 -0.523 7.931 8.000 1.00 40.11 C ATOM 1320 O THR A 87 0.351 7.783 8.856 1.00 62.14 O ATOM 1321 CB THR A 87 -2.419 7.572 9.656 1.00 50.41 C ATOM 1322 OG1 THR A 87 -3.736 7.017 9.835 1.00 15.12 O ATOM 1323 CG2 THR A 87 -2.450 9.078 10.014 1.00 51.01 C ATOM 0 H THR A 87 -1.364 5.300 8.509 1.00 50.22 H new ATOM 0 HA THR A 87 -2.636 7.793 7.515 1.00 71.31 H new ATOM 0 HB THR A 87 -1.708 7.083 10.322 1.00 50.41 H new ATOM 0 HG1 THR A 87 -4.037 7.179 10.753 1.00 15.12 H new ATOM 0 HG21 THR A 87 -2.800 9.201 11.039 1.00 51.01 H new ATOM 0 HG22 THR A 87 -1.447 9.495 9.920 1.00 51.01 H new ATOM 0 HG23 THR A 87 -3.125 9.600 9.335 1.00 51.01 H new ATOM 1331 N VAL A 88 -0.328 8.628 6.873 1.00 63.23 N ATOM 1332 CA VAL A 88 0.947 9.293 6.536 1.00 10.42 C ATOM 1333 C VAL A 88 0.932 10.749 7.062 1.00 41.23 C ATOM 1334 O VAL A 88 0.277 11.630 6.486 1.00 44.30 O ATOM 1335 CB VAL A 88 1.205 9.242 4.979 1.00 34.15 C ATOM 1336 CG1 VAL A 88 2.486 10.009 4.567 1.00 71.20 C ATOM 1337 CG2 VAL A 88 1.261 7.771 4.491 1.00 43.35 C ATOM 0 H VAL A 88 -1.050 8.750 6.163 1.00 63.23 H new ATOM 0 HA VAL A 88 1.768 8.763 7.020 1.00 10.42 H new ATOM 0 HB VAL A 88 0.368 9.745 4.494 1.00 34.15 H new ATOM 0 HG11 VAL A 88 2.618 9.943 3.487 1.00 71.20 H new ATOM 0 HG12 VAL A 88 2.393 11.055 4.858 1.00 71.20 H new ATOM 0 HG13 VAL A 88 3.350 9.569 5.065 1.00 71.20 H new ATOM 0 HG21 VAL A 88 1.439 7.751 3.416 1.00 43.35 H new ATOM 0 HG22 VAL A 88 2.069 7.248 5.003 1.00 43.35 H new ATOM 0 HG23 VAL A 88 0.314 7.278 4.711 1.00 43.35 H new ATOM 1347 N THR A 89 1.634 10.967 8.192 1.00 35.31 N ATOM 1348 CA THR A 89 1.691 12.279 8.879 1.00 42.22 C ATOM 1349 C THR A 89 3.009 13.014 8.539 1.00 34.22 C ATOM 1350 O THR A 89 4.099 12.533 8.867 1.00 5.14 O ATOM 1351 CB THR A 89 1.560 12.102 10.436 1.00 62.42 C ATOM 1352 OG1 THR A 89 0.319 11.444 10.751 1.00 1.44 O ATOM 1353 CG2 THR A 89 1.627 13.448 11.189 1.00 3.32 C ATOM 0 H THR A 89 2.178 10.240 8.656 1.00 35.31 H new ATOM 0 HA THR A 89 0.852 12.879 8.527 1.00 42.22 H new ATOM 0 HB THR A 89 2.405 11.496 10.762 1.00 62.42 H new ATOM 0 HG1 THR A 89 0.478 10.753 11.427 1.00 1.44 H new ATOM 0 HG21 THR A 89 1.532 13.271 12.260 1.00 3.32 H new ATOM 0 HG22 THR A 89 2.582 13.932 10.985 1.00 3.32 H new ATOM 0 HG23 THR A 89 0.814 14.093 10.854 1.00 3.32 H new ATOM 1361 N ILE A 90 2.892 14.187 7.879 1.00 22.40 N ATOM 1362 CA ILE A 90 4.051 15.024 7.474 1.00 45.04 C ATOM 1363 C ILE A 90 4.135 16.300 8.328 1.00 31.51 C ATOM 1364 O ILE A 90 3.594 16.383 9.436 1.00 23.12 O ATOM 1365 CB ILE A 90 3.978 15.412 5.947 1.00 43.20 C ATOM 1366 CG1 ILE A 90 3.748 14.136 5.073 1.00 13.34 C ATOM 1367 CG2 ILE A 90 5.256 16.178 5.489 1.00 72.53 C ATOM 1368 CD1 ILE A 90 3.633 14.393 3.585 1.00 62.32 C ATOM 0 H ILE A 90 1.992 14.584 7.610 1.00 22.40 H new ATOM 0 HA ILE A 90 4.949 14.428 7.637 1.00 45.04 H new ATOM 0 HB ILE A 90 3.131 16.084 5.811 1.00 43.20 H new ATOM 0 HG12 ILE A 90 4.572 13.443 5.244 1.00 13.34 H new ATOM 0 HG13 ILE A 90 2.839 13.640 5.412 1.00 13.34 H new ATOM 0 HG21 ILE A 90 5.170 16.429 4.432 1.00 72.53 H new ATOM 0 HG22 ILE A 90 5.360 17.093 6.072 1.00 72.53 H new ATOM 0 HG23 ILE A 90 6.132 15.548 5.643 1.00 72.53 H new ATOM 0 HD11 ILE A 90 3.475 13.449 3.064 1.00 62.32 H new ATOM 0 HD12 ILE A 90 2.791 15.058 3.395 1.00 62.32 H new ATOM 0 HD13 ILE A 90 4.551 14.858 3.224 1.00 62.32 H new TER 1380 ILE A 90