USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 835 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 106 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.69) USER MOD Set 1.2: A 107 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 83 THR OG1 : rot 117:sc= 0.431 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.247 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.06) USER MOD Single : A 22 ASN : amide:sc= 0.505 K(o=0.51,f=-0.11) USER MOD Single : A 23 MET CE :methyl -134:sc= -5.27 (180deg=-12.5!) USER MOD Single : A 25 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-7.5!) USER MOD Single : A 27 MET CE :methyl -162:sc= -2.26! (180deg=-3.32!) USER MOD Single : A 37 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.47) USER MOD Single : A 47 CYS SG : rot -111:sc= -7.49! USER MOD Single : A 48 SER OG : rot 45:sc= 0.105 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc=-0.00686 (180deg=-0.00686) USER MOD Single : A 62 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.4!) USER MOD Single : A 68 SER OG : rot -152:sc= -3.19! USER MOD Single : A 70 SER OG : rot 77:sc= 0 USER MOD Single : A 80 CYS SG : rot -175:sc= -5.81! USER MOD Single : A 82 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 93 GLN : amide:sc= -2.22! C(o=-2.2!,f=-2.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 97 GLN : amide:sc= -9.05! C(o=-9!,f=-4.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -164:sc= 2.11 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.677 18.326 -18.822 1.00 0.00 N ATOM 2 CA GLY A 1 26.954 17.533 -19.799 1.00 0.00 C ATOM 3 C GLY A 1 26.862 16.072 -19.406 1.00 0.00 C ATOM 4 O GLY A 1 26.434 15.746 -18.299 1.00 0.00 O ATOM 0 H1 GLY A 1 27.712 19.317 -19.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.192 18.271 -17.903 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.645 17.959 -18.725 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.949 17.938 -19.919 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.448 17.615 -20.767 1.00 0.00 H new ATOM 8 N SER A 2 27.264 15.190 -20.316 1.00 0.00 N ATOM 9 CA SER A 2 27.220 13.755 -20.061 1.00 0.00 C ATOM 10 C SER A 2 25.895 13.359 -19.417 1.00 0.00 C ATOM 11 O SER A 2 25.860 12.551 -18.488 1.00 0.00 O ATOM 12 CB SER A 2 28.383 13.340 -19.158 1.00 0.00 C ATOM 13 OG SER A 2 28.530 11.931 -19.131 1.00 0.00 O ATOM 0 H SER A 2 27.624 15.444 -21.236 1.00 0.00 H new ATOM 0 HA SER A 2 27.309 13.238 -21.016 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.306 13.798 -19.514 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.213 13.710 -18.147 1.00 0.00 H new ATOM 0 HG SER A 2 27.691 11.520 -18.834 1.00 0.00 H new ATOM 19 N SER A 3 24.805 13.933 -19.917 1.00 0.00 N ATOM 20 CA SER A 3 23.477 13.643 -19.389 1.00 0.00 C ATOM 21 C SER A 3 23.294 12.144 -19.174 1.00 0.00 C ATOM 22 O SER A 3 24.104 11.337 -19.625 1.00 0.00 O ATOM 23 CB SER A 3 22.401 14.169 -20.341 1.00 0.00 C ATOM 24 OG SER A 3 22.624 13.714 -21.664 1.00 0.00 O ATOM 0 H SER A 3 24.816 14.602 -20.687 1.00 0.00 H new ATOM 0 HA SER A 3 23.377 14.145 -18.427 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.419 13.841 -20.001 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.397 15.259 -20.324 1.00 0.00 H new ATOM 0 HG SER A 3 21.922 14.062 -22.252 1.00 0.00 H new ATOM 30 N GLY A 4 22.220 11.779 -18.479 1.00 0.00 N ATOM 31 CA GLY A 4 21.948 10.379 -18.215 1.00 0.00 C ATOM 32 C GLY A 4 20.911 10.185 -17.126 1.00 0.00 C ATOM 33 O GLY A 4 21.180 10.436 -15.952 1.00 0.00 O ATOM 0 H GLY A 4 21.534 12.429 -18.095 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.602 9.900 -19.131 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.873 9.881 -17.925 1.00 0.00 H new ATOM 37 N SER A 5 19.722 9.738 -17.517 1.00 0.00 N ATOM 38 CA SER A 5 18.639 9.516 -16.566 1.00 0.00 C ATOM 39 C SER A 5 18.811 8.180 -15.849 1.00 0.00 C ATOM 40 O SER A 5 18.852 8.124 -14.620 1.00 0.00 O ATOM 41 CB SER A 5 17.287 9.552 -17.282 1.00 0.00 C ATOM 42 OG SER A 5 16.218 9.440 -16.359 1.00 0.00 O ATOM 0 H SER A 5 19.484 9.523 -18.485 1.00 0.00 H new ATOM 0 HA SER A 5 18.671 10.314 -15.824 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.193 10.483 -17.841 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.233 8.739 -18.006 1.00 0.00 H new ATOM 0 HG SER A 5 15.365 9.467 -16.841 1.00 0.00 H new ATOM 48 N SER A 6 18.911 7.107 -16.626 1.00 0.00 N ATOM 49 CA SER A 6 19.075 5.770 -16.067 1.00 0.00 C ATOM 50 C SER A 6 20.441 5.622 -15.404 1.00 0.00 C ATOM 51 O SER A 6 21.468 5.564 -16.079 1.00 0.00 O ATOM 52 CB SER A 6 18.909 4.713 -17.160 1.00 0.00 C ATOM 53 OG SER A 6 17.540 4.494 -17.453 1.00 0.00 O ATOM 0 H SER A 6 18.881 7.137 -17.645 1.00 0.00 H new ATOM 0 HA SER A 6 18.305 5.623 -15.310 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.431 5.033 -18.062 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.370 3.779 -16.840 1.00 0.00 H new ATOM 0 HG SER A 6 17.460 3.816 -18.156 1.00 0.00 H new ATOM 59 N GLY A 7 20.445 5.563 -14.076 1.00 0.00 N ATOM 60 CA GLY A 7 21.690 5.423 -13.343 1.00 0.00 C ATOM 61 C GLY A 7 21.605 4.375 -12.251 1.00 0.00 C ATOM 62 O GLY A 7 21.841 4.668 -11.080 1.00 0.00 O ATOM 0 H GLY A 7 19.608 5.610 -13.494 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.488 5.157 -14.036 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.958 6.383 -12.901 1.00 0.00 H new ATOM 66 N GLY A 8 21.264 3.148 -12.635 1.00 0.00 N ATOM 67 CA GLY A 8 21.153 2.072 -11.668 1.00 0.00 C ATOM 68 C GLY A 8 19.725 1.592 -11.497 1.00 0.00 C ATOM 69 O GLY A 8 18.779 2.380 -11.488 1.00 0.00 O ATOM 0 H GLY A 8 21.063 2.881 -13.599 1.00 0.00 H new ATOM 0 HA2 GLY A 8 21.778 1.237 -11.984 1.00 0.00 H new ATOM 0 HA3 GLY A 8 21.537 2.411 -10.706 1.00 0.00 H new ATOM 73 N PRO A 9 19.555 0.268 -11.359 1.00 0.00 N ATOM 74 CA PRO A 9 18.235 -0.346 -11.187 1.00 0.00 C ATOM 75 C PRO A 9 17.619 -0.026 -9.829 1.00 0.00 C ATOM 76 O PRO A 9 16.406 -0.127 -9.647 1.00 0.00 O ATOM 77 CB PRO A 9 18.523 -1.845 -11.304 1.00 0.00 C ATOM 78 CG PRO A 9 19.951 -1.988 -10.904 1.00 0.00 C ATOM 79 CD PRO A 9 20.637 -0.730 -11.360 1.00 0.00 C ATOM 0 HA PRO A 9 17.516 0.022 -11.919 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.869 -2.426 -10.653 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.359 -2.202 -12.321 1.00 0.00 H new ATOM 0 HG2 PRO A 9 20.043 -2.114 -9.825 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.400 -2.867 -11.367 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.446 -0.447 -10.686 1.00 0.00 H new ATOM 0 HD3 PRO A 9 21.074 -0.848 -12.351 1.00 0.00 H new ATOM 87 N SER A 10 18.464 0.360 -8.878 1.00 0.00 N ATOM 88 CA SER A 10 18.003 0.692 -7.535 1.00 0.00 C ATOM 89 C SER A 10 17.559 2.149 -7.457 1.00 0.00 C ATOM 90 O SER A 10 17.920 2.966 -8.305 1.00 0.00 O ATOM 91 CB SER A 10 19.111 0.429 -6.513 1.00 0.00 C ATOM 92 OG SER A 10 18.588 0.374 -5.197 1.00 0.00 O ATOM 0 H SER A 10 19.471 0.450 -9.013 1.00 0.00 H new ATOM 0 HA SER A 10 17.147 0.057 -7.304 1.00 0.00 H new ATOM 0 HB2 SER A 10 19.612 -0.510 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 10 19.863 1.216 -6.576 1.00 0.00 H new ATOM 0 HG SER A 10 19.315 0.203 -4.563 1.00 0.00 H new ATOM 98 N ARG A 11 16.774 2.469 -6.434 1.00 0.00 N ATOM 99 CA ARG A 11 16.279 3.827 -6.245 1.00 0.00 C ATOM 100 C ARG A 11 17.433 4.800 -6.021 1.00 0.00 C ATOM 101 O ARG A 11 18.474 4.429 -5.480 1.00 0.00 O ATOM 102 CB ARG A 11 15.315 3.881 -5.058 1.00 0.00 C ATOM 103 CG ARG A 11 15.973 3.566 -3.724 1.00 0.00 C ATOM 104 CD ARG A 11 15.037 3.849 -2.560 1.00 0.00 C ATOM 105 NE ARG A 11 15.367 3.049 -1.384 1.00 0.00 N ATOM 106 CZ ARG A 11 14.712 3.131 -0.232 1.00 0.00 C ATOM 107 NH1 ARG A 11 13.697 3.974 -0.101 1.00 0.00 N ATOM 108 NH2 ARG A 11 15.072 2.369 0.793 1.00 0.00 N ATOM 0 H ARG A 11 16.467 1.806 -5.723 1.00 0.00 H new ATOM 0 HA ARG A 11 15.748 4.122 -7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.869 4.874 -5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.502 3.175 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 11 16.274 2.519 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.880 4.160 -3.615 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.087 4.907 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.010 3.642 -2.862 1.00 0.00 H new ATOM 0 HE ARG A 11 16.143 2.391 -1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.417 4.562 -0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.196 4.035 0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.853 1.720 0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.568 2.433 1.678 1.00 0.00 H new ATOM 122 N MET A 12 17.240 6.045 -6.443 1.00 0.00 N ATOM 123 CA MET A 12 18.265 7.071 -6.288 1.00 0.00 C ATOM 124 C MET A 12 18.341 7.550 -4.842 1.00 0.00 C ATOM 125 O MET A 12 17.601 7.074 -3.981 1.00 0.00 O ATOM 126 CB MET A 12 17.977 8.254 -7.214 1.00 0.00 C ATOM 127 CG MET A 12 18.553 8.086 -8.611 1.00 0.00 C ATOM 128 SD MET A 12 17.780 6.736 -9.523 1.00 0.00 S ATOM 129 CE MET A 12 16.740 7.648 -10.661 1.00 0.00 C ATOM 0 H MET A 12 16.384 6.368 -6.895 1.00 0.00 H new ATOM 0 HA MET A 12 19.226 6.632 -6.558 1.00 0.00 H new ATOM 0 HB2 MET A 12 16.898 8.392 -7.289 1.00 0.00 H new ATOM 0 HB3 MET A 12 18.385 9.161 -6.768 1.00 0.00 H new ATOM 0 HG2 MET A 12 18.425 9.015 -9.167 1.00 0.00 H new ATOM 0 HG3 MET A 12 19.625 7.903 -8.538 1.00 0.00 H new ATOM 0 HE1 MET A 12 16.195 6.949 -11.296 1.00 0.00 H new ATOM 0 HE2 MET A 12 16.031 8.256 -10.099 1.00 0.00 H new ATOM 0 HE3 MET A 12 17.360 8.295 -11.282 1.00 0.00 H new ATOM 139 N ARG A 13 19.239 8.494 -4.582 1.00 0.00 N ATOM 140 CA ARG A 13 19.412 9.036 -3.239 1.00 0.00 C ATOM 141 C ARG A 13 18.494 10.234 -3.014 1.00 0.00 C ATOM 142 O ARG A 13 18.790 11.112 -2.203 1.00 0.00 O ATOM 143 CB ARG A 13 20.869 9.446 -3.016 1.00 0.00 C ATOM 144 CG ARG A 13 21.434 10.315 -4.127 1.00 0.00 C ATOM 145 CD ARG A 13 22.788 10.894 -3.748 1.00 0.00 C ATOM 146 NE ARG A 13 22.710 11.731 -2.554 1.00 0.00 N ATOM 147 CZ ARG A 13 23.722 12.466 -2.105 1.00 0.00 C ATOM 148 NH1 ARG A 13 24.881 12.468 -2.747 1.00 0.00 N ATOM 149 NH2 ARG A 13 23.574 13.203 -1.011 1.00 0.00 N ATOM 0 H ARG A 13 19.858 8.900 -5.283 1.00 0.00 H new ATOM 0 HA ARG A 13 19.147 8.258 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 13 20.946 9.984 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 13 21.480 8.548 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 13 21.532 9.725 -5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.739 11.126 -4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 13 23.494 10.082 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 13 23.176 11.483 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 13 21.831 11.753 -2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 13 24.999 11.904 -3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 13 25.656 13.033 -2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 13 22.683 13.205 -0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 13 24.351 13.767 -0.667 1.00 0.00 H new ATOM 163 N HIS A 14 17.379 10.263 -3.737 1.00 0.00 N ATOM 164 CA HIS A 14 16.418 11.353 -3.616 1.00 0.00 C ATOM 165 C HIS A 14 15.416 11.072 -2.500 1.00 0.00 C ATOM 166 O HIS A 14 15.507 10.055 -1.814 1.00 0.00 O ATOM 167 CB HIS A 14 15.680 11.560 -4.939 1.00 0.00 C ATOM 168 CG HIS A 14 16.590 11.631 -6.127 1.00 0.00 C ATOM 169 ND1 HIS A 14 16.170 11.367 -7.414 1.00 0.00 N ATOM 170 CD2 HIS A 14 17.905 11.941 -6.218 1.00 0.00 C ATOM 171 CE1 HIS A 14 17.187 11.509 -8.244 1.00 0.00 C ATOM 172 NE2 HIS A 14 18.251 11.858 -7.544 1.00 0.00 N ATOM 0 H HIS A 14 17.119 9.544 -4.413 1.00 0.00 H new ATOM 0 HA HIS A 14 16.966 12.262 -3.368 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.972 10.744 -5.082 1.00 0.00 H new ATOM 0 HB3 HIS A 14 15.099 12.480 -4.881 1.00 0.00 H new ATOM 0 HD2 HIS A 14 18.559 12.204 -5.400 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.154 11.364 -9.314 1.00 0.00 H new ATOM 0 HE2 HIS A 14 19.179 12.037 -7.927 1.00 0.00 H new ATOM 180 N GLU A 15 14.462 11.981 -2.326 1.00 0.00 N ATOM 181 CA GLU A 15 13.444 11.831 -1.292 1.00 0.00 C ATOM 182 C GLU A 15 12.046 11.819 -1.902 1.00 0.00 C ATOM 183 O GLU A 15 11.093 12.323 -1.307 1.00 0.00 O ATOM 184 CB GLU A 15 13.556 12.961 -0.267 1.00 0.00 C ATOM 185 CG GLU A 15 13.439 14.348 -0.876 1.00 0.00 C ATOM 186 CD GLU A 15 13.884 15.442 0.075 1.00 0.00 C ATOM 187 OE1 GLU A 15 15.108 15.643 0.218 1.00 0.00 O ATOM 188 OE2 GLU A 15 13.007 16.098 0.677 1.00 0.00 O ATOM 0 H GLU A 15 14.372 12.828 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 15 13.610 10.878 -0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.777 12.837 0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.513 12.879 0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.041 14.394 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.404 14.526 -1.170 1.00 0.00 H new ATOM 195 N ARG A 16 11.931 11.241 -3.094 1.00 0.00 N ATOM 196 CA ARG A 16 10.651 11.165 -3.786 1.00 0.00 C ATOM 197 C ARG A 16 9.779 10.060 -3.197 1.00 0.00 C ATOM 198 O ARG A 16 9.493 9.062 -3.857 1.00 0.00 O ATOM 199 CB ARG A 16 10.868 10.916 -5.280 1.00 0.00 C ATOM 200 CG ARG A 16 11.237 12.168 -6.058 1.00 0.00 C ATOM 201 CD ARG A 16 12.557 12.753 -5.580 1.00 0.00 C ATOM 202 NE ARG A 16 12.368 13.722 -4.503 1.00 0.00 N ATOM 203 CZ ARG A 16 12.062 14.998 -4.708 1.00 0.00 C ATOM 204 NH1 ARG A 16 11.910 15.457 -5.943 1.00 0.00 N ATOM 205 NH2 ARG A 16 11.906 15.818 -3.677 1.00 0.00 N ATOM 0 H ARG A 16 12.710 10.819 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 16 10.139 12.118 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.657 10.175 -5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.959 10.489 -5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.306 11.931 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.448 12.912 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.206 11.948 -5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.064 13.235 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 16 12.477 13.401 -3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.028 14.830 -6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.675 16.437 -6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.021 15.469 -2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.671 16.798 -3.836 1.00 0.00 H new ATOM 219 N VAL A 17 9.359 10.247 -1.949 1.00 0.00 N ATOM 220 CA VAL A 17 8.519 9.267 -1.271 1.00 0.00 C ATOM 221 C VAL A 17 7.427 9.949 -0.456 1.00 0.00 C ATOM 222 O VAL A 17 7.698 10.860 0.326 1.00 0.00 O ATOM 223 CB VAL A 17 9.350 8.364 -0.340 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.443 7.436 0.453 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.371 7.569 -1.141 1.00 0.00 C ATOM 0 H VAL A 17 9.587 11.068 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 17 8.060 8.653 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 17 9.888 8.997 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.048 6.806 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.755 8.028 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.875 6.808 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.949 6.937 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.855 6.945 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.041 8.255 -1.659 1.00 0.00 H new ATOM 235 N VAL A 18 6.189 9.502 -0.644 1.00 0.00 N ATOM 236 CA VAL A 18 5.054 10.069 0.075 1.00 0.00 C ATOM 237 C VAL A 18 4.583 9.134 1.183 1.00 0.00 C ATOM 238 O VAL A 18 4.613 7.912 1.032 1.00 0.00 O ATOM 239 CB VAL A 18 3.875 10.356 -0.874 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.379 10.907 -2.200 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.047 9.099 -1.090 1.00 0.00 C ATOM 0 H VAL A 18 5.947 8.749 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 18 5.394 11.007 0.514 1.00 0.00 H new ATOM 0 HB VAL A 18 3.236 11.110 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.532 11.104 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.925 11.834 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.041 10.179 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.219 9.320 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.673 8.322 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.655 8.753 -0.134 1.00 0.00 H new ATOM 251 N ILE A 19 4.149 9.716 2.296 1.00 0.00 N ATOM 252 CA ILE A 19 3.670 8.934 3.429 1.00 0.00 C ATOM 253 C ILE A 19 2.153 9.024 3.557 1.00 0.00 C ATOM 254 O ILE A 19 1.543 10.010 3.144 1.00 0.00 O ATOM 255 CB ILE A 19 4.314 9.402 4.748 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.807 9.667 4.546 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.097 8.366 5.840 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.529 8.543 3.835 1.00 0.00 C ATOM 0 H ILE A 19 4.119 10.726 2.437 1.00 0.00 H new ATOM 0 HA ILE A 19 3.956 7.899 3.242 1.00 0.00 H new ATOM 0 HB ILE A 19 3.838 10.332 5.058 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.931 10.587 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.274 9.831 5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.558 8.711 6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.028 8.223 5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.549 7.421 5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.583 8.799 3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.437 7.626 4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.088 8.394 2.849 1.00 0.00 H new ATOM 270 N ILE A 20 1.552 7.989 4.134 1.00 0.00 N ATOM 271 CA ILE A 20 0.106 7.952 4.319 1.00 0.00 C ATOM 272 C ILE A 20 -0.255 7.558 5.747 1.00 0.00 C ATOM 273 O ILE A 20 0.364 6.670 6.333 1.00 0.00 O ATOM 274 CB ILE A 20 -0.562 6.968 3.341 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.049 7.107 1.945 1.00 0.00 C ATOM 276 CG2 ILE A 20 -2.064 7.206 3.294 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.531 8.250 1.143 1.00 0.00 C ATOM 0 H ILE A 20 2.043 7.165 4.481 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.264 8.957 4.118 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.385 5.952 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.125 7.250 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.101 6.177 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.522 6.503 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.487 7.061 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.261 8.225 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.051 8.288 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.603 8.098 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.358 9.189 1.669 1.00 0.00 H new ATOM 289 N LYS A 21 -1.264 8.222 6.301 1.00 0.00 N ATOM 290 CA LYS A 21 -1.711 7.939 7.660 1.00 0.00 C ATOM 291 C LYS A 21 -3.185 7.544 7.676 1.00 0.00 C ATOM 292 O LYS A 21 -3.951 7.933 6.796 1.00 0.00 O ATOM 293 CB LYS A 21 -1.490 9.160 8.556 1.00 0.00 C ATOM 294 CG LYS A 21 -0.149 9.156 9.269 1.00 0.00 C ATOM 295 CD LYS A 21 1.007 9.187 8.283 1.00 0.00 C ATOM 296 CE LYS A 21 2.347 9.269 8.998 1.00 0.00 C ATOM 297 NZ LYS A 21 2.716 10.674 9.326 1.00 0.00 N ATOM 0 H LYS A 21 -1.788 8.960 5.830 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.124 7.104 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.568 10.063 7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.287 9.204 9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.086 10.019 9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.071 8.267 9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.980 8.293 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.896 10.043 7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.306 8.681 9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.121 8.827 8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.635 10.687 9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.780 11.230 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.991 11.088 9.946 1.00 0.00 H new ATOM 311 N ASN A 22 -3.574 6.769 8.683 1.00 0.00 N ATOM 312 CA ASN A 22 -4.956 6.322 8.814 1.00 0.00 C ATOM 313 C ASN A 22 -5.409 5.582 7.559 1.00 0.00 C ATOM 314 O ASN A 22 -6.420 5.933 6.951 1.00 0.00 O ATOM 315 CB ASN A 22 -5.877 7.515 9.077 1.00 0.00 C ATOM 316 CG ASN A 22 -7.083 7.141 9.916 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.948 6.572 10.999 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.272 7.459 9.417 1.00 0.00 N ATOM 0 H ASN A 22 -2.952 6.437 9.420 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.012 5.636 9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.315 8.300 9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.213 7.927 8.126 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.120 7.232 9.936 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.337 7.931 8.515 1.00 0.00 H new ATOM 325 N MET A 23 -4.654 4.557 7.179 1.00 0.00 N ATOM 326 CA MET A 23 -4.980 3.766 5.998 1.00 0.00 C ATOM 327 C MET A 23 -5.053 2.281 6.340 1.00 0.00 C ATOM 328 O MET A 23 -5.676 1.498 5.623 1.00 0.00 O ATOM 329 CB MET A 23 -3.939 3.997 4.900 1.00 0.00 C ATOM 330 CG MET A 23 -2.515 3.700 5.341 1.00 0.00 C ATOM 331 SD MET A 23 -1.408 3.389 3.952 1.00 0.00 S ATOM 332 CE MET A 23 -2.221 1.993 3.178 1.00 0.00 C ATOM 0 H MET A 23 -3.813 4.255 7.671 1.00 0.00 H new ATOM 0 HA MET A 23 -5.957 4.086 5.636 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.183 3.371 4.042 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.999 5.033 4.566 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.136 4.541 5.922 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.517 2.832 6.001 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.482 1.228 2.939 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.963 1.580 3.861 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.713 2.320 2.262 1.00 0.00 H new ATOM 342 N PHE A 24 -4.413 1.900 7.441 1.00 0.00 N ATOM 343 CA PHE A 24 -4.405 0.509 7.878 1.00 0.00 C ATOM 344 C PHE A 24 -3.992 0.402 9.343 1.00 0.00 C ATOM 345 O PHE A 24 -3.636 1.398 9.974 1.00 0.00 O ATOM 346 CB PHE A 24 -3.454 -0.315 7.007 1.00 0.00 C ATOM 347 CG PHE A 24 -2.007 0.039 7.197 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.328 -0.354 8.339 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.326 0.766 6.234 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.003 -0.028 8.516 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.005 1.094 6.406 1.00 0.00 C ATOM 352 CZ PHE A 24 0.671 0.696 7.548 1.00 0.00 C ATOM 0 H PHE A 24 -3.893 2.535 8.047 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.416 0.115 7.774 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.593 -1.373 7.231 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.720 -0.174 5.959 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.845 -0.921 9.099 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.842 1.080 5.338 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.521 -0.339 9.411 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.524 1.661 5.648 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.712 0.950 7.684 1.00 0.00 H new ATOM 362 N HIS A 25 -4.044 -0.814 9.879 1.00 0.00 N ATOM 363 CA HIS A 25 -3.676 -1.053 11.270 1.00 0.00 C ATOM 364 C HIS A 25 -2.990 -2.407 11.425 1.00 0.00 C ATOM 365 O HIS A 25 -3.389 -3.405 10.826 1.00 0.00 O ATOM 366 CB HIS A 25 -4.914 -0.989 12.165 1.00 0.00 C ATOM 367 CG HIS A 25 -4.618 -0.550 13.566 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.332 -1.432 14.587 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.562 0.687 14.113 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.116 -0.757 15.701 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.249 0.532 15.441 1.00 0.00 N ATOM 0 H HIS A 25 -4.337 -1.648 9.371 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.977 -0.274 11.575 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.637 -0.303 11.723 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.384 -1.972 12.193 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.732 1.622 13.600 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.872 -1.186 16.662 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.137 1.288 16.116 1.00 0.00 H new ATOM 379 N PRO A 26 -1.932 -2.443 12.249 1.00 0.00 N ATOM 380 CA PRO A 26 -1.168 -3.669 12.502 1.00 0.00 C ATOM 381 C PRO A 26 -1.960 -4.688 13.315 1.00 0.00 C ATOM 382 O PRO A 26 -1.443 -5.745 13.674 1.00 0.00 O ATOM 383 CB PRO A 26 0.042 -3.174 13.298 1.00 0.00 C ATOM 384 CG PRO A 26 -0.422 -1.918 13.952 1.00 0.00 C ATOM 385 CD PRO A 26 -1.400 -1.292 12.997 1.00 0.00 C ATOM 0 HA PRO A 26 -0.906 -4.185 11.578 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.359 -3.911 14.036 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.896 -2.989 12.646 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.894 -2.129 14.912 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.415 -1.248 14.149 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.189 -0.756 13.524 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.913 -0.574 12.337 1.00 0.00 H new ATOM 393 N MET A 27 -3.216 -4.362 13.601 1.00 0.00 N ATOM 394 CA MET A 27 -4.079 -5.251 14.370 1.00 0.00 C ATOM 395 C MET A 27 -4.991 -6.054 13.449 1.00 0.00 C ATOM 396 O MET A 27 -5.544 -7.080 13.847 1.00 0.00 O ATOM 397 CB MET A 27 -4.920 -4.446 15.364 1.00 0.00 C ATOM 398 CG MET A 27 -5.601 -5.304 16.418 1.00 0.00 C ATOM 399 SD MET A 27 -4.602 -5.501 17.906 1.00 0.00 S ATOM 400 CE MET A 27 -3.200 -6.407 17.256 1.00 0.00 C ATOM 0 H MET A 27 -3.659 -3.490 13.312 1.00 0.00 H new ATOM 0 HA MET A 27 -3.445 -5.946 14.920 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.281 -3.715 15.860 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.679 -3.887 14.816 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.557 -4.854 16.684 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.817 -6.286 15.997 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.659 -6.878 18.077 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.551 -7.173 16.565 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.536 -5.721 16.730 1.00 0.00 H new ATOM 410 N ASP A 28 -5.144 -5.582 12.217 1.00 0.00 N ATOM 411 CA ASP A 28 -5.989 -6.257 11.238 1.00 0.00 C ATOM 412 C ASP A 28 -5.233 -7.397 10.562 1.00 0.00 C ATOM 413 O ASP A 28 -5.810 -8.438 10.248 1.00 0.00 O ATOM 414 CB ASP A 28 -6.484 -5.263 10.187 1.00 0.00 C ATOM 415 CG ASP A 28 -7.591 -4.369 10.712 1.00 0.00 C ATOM 416 OD1 ASP A 28 -7.288 -3.452 11.504 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.759 -4.586 10.329 1.00 0.00 O ATOM 0 H ASP A 28 -4.694 -4.734 11.872 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.848 -6.675 11.763 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.650 -4.646 9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.845 -5.809 9.316 1.00 0.00 H new ATOM 422 N PHE A 29 -3.939 -7.192 10.340 1.00 0.00 N ATOM 423 CA PHE A 29 -3.104 -8.201 9.699 1.00 0.00 C ATOM 424 C PHE A 29 -2.927 -9.416 10.605 1.00 0.00 C ATOM 425 O PHE A 29 -2.683 -10.525 10.131 1.00 0.00 O ATOM 426 CB PHE A 29 -1.737 -7.612 9.344 1.00 0.00 C ATOM 427 CG PHE A 29 -1.801 -6.184 8.882 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.728 -5.792 7.929 1.00 0.00 C ATOM 429 CD2 PHE A 29 -0.936 -5.235 9.400 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.788 -4.479 7.501 1.00 0.00 C ATOM 431 CE2 PHE A 29 -0.992 -3.920 8.977 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.920 -3.542 8.027 1.00 0.00 C ATOM 0 H PHE A 29 -3.446 -6.336 10.595 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.603 -8.521 8.784 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.086 -7.675 10.216 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.281 -8.219 8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.411 -6.520 7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.209 -5.526 10.144 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.513 -4.186 6.756 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.311 -3.190 9.389 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.967 -2.515 7.696 1.00 0.00 H new ATOM 442 N GLU A 30 -3.051 -9.197 11.910 1.00 0.00 N ATOM 443 CA GLU A 30 -2.904 -10.273 12.882 1.00 0.00 C ATOM 444 C GLU A 30 -4.076 -11.247 12.799 1.00 0.00 C ATOM 445 O GLU A 30 -4.000 -12.370 13.296 1.00 0.00 O ATOM 446 CB GLU A 30 -2.802 -9.701 14.298 1.00 0.00 C ATOM 447 CG GLU A 30 -1.561 -8.853 14.524 1.00 0.00 C ATOM 448 CD GLU A 30 -1.071 -8.906 15.958 1.00 0.00 C ATOM 449 OE1 GLU A 30 -1.462 -9.844 16.684 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.296 -8.010 16.353 1.00 0.00 O ATOM 0 H GLU A 30 -3.253 -8.284 12.318 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.987 -10.815 12.649 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.686 -9.097 14.501 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.806 -10.523 15.014 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.767 -9.194 13.860 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.778 -7.819 14.256 1.00 0.00 H new ATOM 457 N ASP A 31 -5.158 -10.806 12.167 1.00 0.00 N ATOM 458 CA ASP A 31 -6.347 -11.638 12.017 1.00 0.00 C ATOM 459 C ASP A 31 -6.404 -12.258 10.624 1.00 0.00 C ATOM 460 O ASP A 31 -6.892 -13.375 10.451 1.00 0.00 O ATOM 461 CB ASP A 31 -7.609 -10.812 12.274 1.00 0.00 C ATOM 462 CG ASP A 31 -8.803 -11.676 12.630 1.00 0.00 C ATOM 463 OD1 ASP A 31 -8.836 -12.848 12.201 1.00 0.00 O ATOM 464 OD2 ASP A 31 -9.705 -11.179 13.338 1.00 0.00 O ATOM 0 H ASP A 31 -5.237 -9.878 11.751 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.293 -12.442 12.751 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.420 -10.107 13.084 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.842 -10.223 11.387 1.00 0.00 H new ATOM 469 N ASP A 32 -5.904 -11.525 9.635 1.00 0.00 N ATOM 470 CA ASP A 32 -5.898 -12.003 8.258 1.00 0.00 C ATOM 471 C ASP A 32 -4.957 -11.166 7.396 1.00 0.00 C ATOM 472 O ASP A 32 -4.887 -9.943 7.519 1.00 0.00 O ATOM 473 CB ASP A 32 -7.312 -11.963 7.676 1.00 0.00 C ATOM 474 CG ASP A 32 -8.096 -13.226 7.974 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.693 -14.304 7.489 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.113 -13.137 8.694 1.00 0.00 O ATOM 0 H ASP A 32 -5.498 -10.598 9.762 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.542 -13.033 8.259 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.845 -11.103 8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.254 -11.821 6.597 1.00 0.00 H new ATOM 481 N PRO A 33 -4.215 -11.839 6.505 1.00 0.00 N ATOM 482 CA PRO A 33 -3.264 -11.178 5.606 1.00 0.00 C ATOM 483 C PRO A 33 -3.961 -10.339 4.540 1.00 0.00 C ATOM 484 O PRO A 33 -3.512 -9.242 4.207 1.00 0.00 O ATOM 485 CB PRO A 33 -2.514 -12.346 4.962 1.00 0.00 C ATOM 486 CG PRO A 33 -3.461 -13.493 5.038 1.00 0.00 C ATOM 487 CD PRO A 33 -4.247 -13.298 6.305 1.00 0.00 C ATOM 0 HA PRO A 33 -2.617 -10.480 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.245 -12.123 3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.587 -12.562 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.119 -13.514 4.170 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.924 -14.442 5.054 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.268 -13.668 6.206 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.796 -13.829 7.143 1.00 0.00 H new ATOM 495 N LEU A 34 -5.061 -10.862 4.009 1.00 0.00 N ATOM 496 CA LEU A 34 -5.821 -10.161 2.980 1.00 0.00 C ATOM 497 C LEU A 34 -5.822 -8.657 3.233 1.00 0.00 C ATOM 498 O LEU A 34 -5.581 -7.863 2.324 1.00 0.00 O ATOM 499 CB LEU A 34 -7.258 -10.683 2.934 1.00 0.00 C ATOM 500 CG LEU A 34 -7.476 -11.980 2.155 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.617 -11.692 0.668 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.333 -12.952 2.406 1.00 0.00 C ATOM 0 H LEU A 34 -5.446 -11.769 4.274 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.342 -10.349 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.601 -10.835 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.890 -9.910 2.498 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.400 -12.440 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.772 -12.627 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.470 -11.034 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.711 -11.209 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.505 -13.869 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.394 -12.500 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.279 -13.183 3.470 1.00 0.00 H new ATOM 514 N VAL A 35 -6.093 -8.272 4.477 1.00 0.00 N ATOM 515 CA VAL A 35 -6.122 -6.863 4.851 1.00 0.00 C ATOM 516 C VAL A 35 -4.911 -6.122 4.297 1.00 0.00 C ATOM 517 O VAL A 35 -5.051 -5.141 3.564 1.00 0.00 O ATOM 518 CB VAL A 35 -6.160 -6.690 6.382 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.190 -5.215 6.752 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.356 -7.421 6.971 1.00 0.00 C ATOM 0 H VAL A 35 -6.295 -8.916 5.242 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.030 -6.440 4.422 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.254 -7.127 6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.217 -5.112 7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.298 -4.724 6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.077 -4.750 6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.367 -7.288 8.053 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.275 -7.017 6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.285 -8.483 6.737 1.00 0.00 H new ATOM 530 N LEU A 36 -3.721 -6.595 4.650 1.00 0.00 N ATOM 531 CA LEU A 36 -2.484 -5.978 4.187 1.00 0.00 C ATOM 532 C LEU A 36 -2.340 -6.114 2.674 1.00 0.00 C ATOM 533 O LEU A 36 -1.773 -5.244 2.014 1.00 0.00 O ATOM 534 CB LEU A 36 -1.281 -6.615 4.884 1.00 0.00 C ATOM 535 CG LEU A 36 0.021 -5.814 4.842 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.073 -4.594 5.745 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.199 -6.689 5.246 1.00 0.00 C ATOM 0 H LEU A 36 -3.587 -7.405 5.256 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.521 -4.917 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.542 -6.791 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.099 -7.590 4.432 1.00 0.00 H new ATOM 0 HG LEU A 36 0.182 -5.472 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.863 -4.037 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.891 -3.956 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.258 -4.914 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.117 -6.102 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.045 -7.061 6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.280 -7.531 4.558 1.00 0.00 H new ATOM 549 N ASN A 37 -2.859 -7.211 2.132 1.00 0.00 N ATOM 550 CA ASN A 37 -2.790 -7.460 0.697 1.00 0.00 C ATOM 551 C ASN A 37 -3.554 -6.391 -0.078 1.00 0.00 C ATOM 552 O ASN A 37 -2.977 -5.663 -0.885 1.00 0.00 O ATOM 553 CB ASN A 37 -3.354 -8.844 0.370 1.00 0.00 C ATOM 554 CG ASN A 37 -2.300 -9.931 0.448 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.192 -9.775 -0.066 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.641 -11.041 1.093 1.00 0.00 N ATOM 0 H ASN A 37 -3.332 -7.941 2.665 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.743 -7.422 0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.163 -9.076 1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.785 -8.831 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.973 -11.807 1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.571 -11.127 1.504 1.00 0.00 H new ATOM 563 N GLU A 38 -4.857 -6.303 0.173 1.00 0.00 N ATOM 564 CA GLU A 38 -5.700 -5.323 -0.501 1.00 0.00 C ATOM 565 C GLU A 38 -5.172 -3.908 -0.283 1.00 0.00 C ATOM 566 O GLU A 38 -5.127 -3.101 -1.211 1.00 0.00 O ATOM 567 CB GLU A 38 -7.141 -5.425 0.003 1.00 0.00 C ATOM 568 CG GLU A 38 -7.255 -5.978 1.413 1.00 0.00 C ATOM 569 CD GLU A 38 -8.433 -5.400 2.173 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.570 -5.866 1.948 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.219 -4.482 2.992 1.00 0.00 O ATOM 0 H GLU A 38 -5.351 -6.898 0.838 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.680 -5.538 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.599 -4.436 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.710 -6.061 -0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.354 -7.063 1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.336 -5.765 1.958 1.00 0.00 H new ATOM 578 N ILE A 39 -4.773 -3.616 0.951 1.00 0.00 N ATOM 579 CA ILE A 39 -4.248 -2.300 1.291 1.00 0.00 C ATOM 580 C ILE A 39 -2.980 -1.993 0.502 1.00 0.00 C ATOM 581 O ILE A 39 -2.893 -0.972 -0.181 1.00 0.00 O ATOM 582 CB ILE A 39 -3.942 -2.188 2.797 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.224 -2.356 3.614 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.282 -0.852 3.105 1.00 0.00 C ATOM 585 CD1 ILE A 39 -4.975 -2.705 5.064 1.00 0.00 C ATOM 0 H ILE A 39 -4.804 -4.273 1.731 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.019 -1.576 1.030 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.251 -2.985 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.800 -1.432 3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.835 -3.137 3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.072 -0.788 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.350 -0.769 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.951 -0.041 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.928 -2.809 5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.426 -3.645 5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.391 -1.913 5.534 1.00 0.00 H new ATOM 597 N ARG A 40 -1.999 -2.884 0.599 1.00 0.00 N ATOM 598 CA ARG A 40 -0.735 -2.709 -0.106 1.00 0.00 C ATOM 599 C ARG A 40 -0.971 -2.473 -1.595 1.00 0.00 C ATOM 600 O ARG A 40 -0.597 -1.433 -2.135 1.00 0.00 O ATOM 601 CB ARG A 40 0.158 -3.936 0.091 1.00 0.00 C ATOM 602 CG ARG A 40 1.641 -3.641 -0.063 1.00 0.00 C ATOM 603 CD ARG A 40 2.421 -4.892 -0.436 1.00 0.00 C ATOM 604 NE ARG A 40 2.823 -5.658 0.740 1.00 0.00 N ATOM 605 CZ ARG A 40 3.710 -6.646 0.706 1.00 0.00 C ATOM 606 NH1 ARG A 40 4.284 -6.987 -0.439 1.00 0.00 N ATOM 607 NH2 ARG A 40 4.024 -7.297 1.819 1.00 0.00 N ATOM 0 H ARG A 40 -2.055 -3.735 1.159 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.235 -1.834 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.020 -4.349 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.128 -4.702 -0.629 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.784 -2.879 -0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.031 -3.232 0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.811 -5.519 -1.086 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.307 -4.610 -1.005 1.00 0.00 H new ATOM 0 HE ARG A 40 2.399 -5.421 1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.045 -6.490 -1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.965 -7.746 -0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.584 -7.039 2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.705 -8.056 1.791 1.00 0.00 H new ATOM 621 N GLU A 41 -1.594 -3.447 -2.252 1.00 0.00 N ATOM 622 CA GLU A 41 -1.879 -3.345 -3.678 1.00 0.00 C ATOM 623 C GLU A 41 -2.637 -2.058 -3.991 1.00 0.00 C ATOM 624 O GLU A 41 -2.409 -1.425 -5.022 1.00 0.00 O ATOM 625 CB GLU A 41 -2.690 -4.554 -4.147 1.00 0.00 C ATOM 626 CG GLU A 41 -4.193 -4.342 -4.082 1.00 0.00 C ATOM 627 CD GLU A 41 -4.972 -5.632 -4.245 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.345 -6.673 -4.531 1.00 0.00 O ATOM 629 OE2 GLU A 41 -6.210 -5.601 -4.085 1.00 0.00 O ATOM 0 H GLU A 41 -1.911 -4.315 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.929 -3.325 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.409 -4.793 -5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.427 -5.417 -3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.451 -3.885 -3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.491 -3.641 -4.862 1.00 0.00 H new ATOM 636 N ASP A 42 -3.540 -1.678 -3.094 1.00 0.00 N ATOM 637 CA ASP A 42 -4.333 -0.467 -3.272 1.00 0.00 C ATOM 638 C ASP A 42 -3.433 0.760 -3.382 1.00 0.00 C ATOM 639 O ASP A 42 -3.675 1.650 -4.199 1.00 0.00 O ATOM 640 CB ASP A 42 -5.311 -0.296 -2.109 1.00 0.00 C ATOM 641 CG ASP A 42 -6.650 -0.954 -2.377 1.00 0.00 C ATOM 642 OD1 ASP A 42 -7.251 -0.667 -3.433 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.097 -1.755 -1.530 1.00 0.00 O ATOM 0 H ASP A 42 -3.741 -2.191 -2.236 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.898 -0.565 -4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.875 -0.722 -1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.463 0.767 -1.919 1.00 0.00 H new ATOM 648 N LEU A 43 -2.396 0.802 -2.553 1.00 0.00 N ATOM 649 CA LEU A 43 -1.459 1.921 -2.555 1.00 0.00 C ATOM 650 C LEU A 43 -0.691 1.985 -3.872 1.00 0.00 C ATOM 651 O LEU A 43 -0.371 3.068 -4.363 1.00 0.00 O ATOM 652 CB LEU A 43 -0.481 1.796 -1.386 1.00 0.00 C ATOM 653 CG LEU A 43 -0.892 2.495 -0.090 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.114 2.207 1.014 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.027 3.994 -0.312 1.00 0.00 C ATOM 0 H LEU A 43 -2.182 0.074 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.031 2.842 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.334 0.737 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.483 2.195 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.862 2.105 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.195 2.713 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.162 1.133 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.097 2.569 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.320 4.475 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.072 4.400 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.786 4.182 -1.071 1.00 0.00 H new ATOM 667 N ARG A 44 -0.400 0.819 -4.438 1.00 0.00 N ATOM 668 CA ARG A 44 0.330 0.743 -5.698 1.00 0.00 C ATOM 669 C ARG A 44 -0.559 1.156 -6.867 1.00 0.00 C ATOM 670 O ARG A 44 -0.096 1.779 -7.823 1.00 0.00 O ATOM 671 CB ARG A 44 0.858 -0.676 -5.921 1.00 0.00 C ATOM 672 CG ARG A 44 2.093 -1.003 -5.097 1.00 0.00 C ATOM 673 CD ARG A 44 2.814 -2.228 -5.635 1.00 0.00 C ATOM 674 NE ARG A 44 2.087 -3.462 -5.346 1.00 0.00 N ATOM 675 CZ ARG A 44 2.603 -4.675 -5.512 1.00 0.00 C ATOM 676 NH1 ARG A 44 3.842 -4.816 -5.963 1.00 0.00 N ATOM 677 NH2 ARG A 44 1.880 -5.750 -5.226 1.00 0.00 N ATOM 0 H ARG A 44 -0.658 -0.086 -4.045 1.00 0.00 H new ATOM 0 HA ARG A 44 1.172 1.433 -5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.071 -1.390 -5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.092 -0.806 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.771 -0.149 -5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.805 -1.176 -4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.944 -2.128 -6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.811 -2.283 -5.197 1.00 0.00 H new ATOM 0 HE ARG A 44 1.131 -3.388 -4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.401 -3.992 -6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.236 -5.748 -6.089 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.927 -5.646 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.277 -6.681 -5.354 1.00 0.00 H new ATOM 691 N VAL A 45 -1.838 0.804 -6.784 1.00 0.00 N ATOM 692 CA VAL A 45 -2.793 1.138 -7.835 1.00 0.00 C ATOM 693 C VAL A 45 -3.269 2.581 -7.706 1.00 0.00 C ATOM 694 O VAL A 45 -3.704 3.190 -8.682 1.00 0.00 O ATOM 695 CB VAL A 45 -4.014 0.201 -7.802 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.592 -1.215 -7.442 1.00 0.00 C ATOM 697 CG2 VAL A 45 -5.057 0.720 -6.824 1.00 0.00 C ATOM 0 H VAL A 45 -2.237 0.288 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.275 1.013 -8.786 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.460 0.179 -8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.469 -1.862 -7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.884 -1.584 -8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.120 -1.215 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.913 0.046 -6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.624 0.773 -5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.382 1.714 -7.132 1.00 0.00 H new ATOM 707 N GLU A 46 -3.182 3.121 -6.494 1.00 0.00 N ATOM 708 CA GLU A 46 -3.605 4.492 -6.238 1.00 0.00 C ATOM 709 C GLU A 46 -2.506 5.481 -6.618 1.00 0.00 C ATOM 710 O GLU A 46 -2.766 6.498 -7.262 1.00 0.00 O ATOM 711 CB GLU A 46 -3.977 4.668 -4.764 1.00 0.00 C ATOM 712 CG GLU A 46 -2.814 5.107 -3.891 1.00 0.00 C ATOM 713 CD GLU A 46 -3.252 5.524 -2.501 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.471 5.489 -2.229 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.378 5.884 -1.685 1.00 0.00 O ATOM 0 H GLU A 46 -2.823 2.630 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.481 4.695 -6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.777 5.404 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.371 3.726 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.096 4.291 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.299 5.939 -4.370 1.00 0.00 H new ATOM 722 N CYS A 47 -1.278 5.174 -6.215 1.00 0.00 N ATOM 723 CA CYS A 47 -0.138 6.035 -6.511 1.00 0.00 C ATOM 724 C CYS A 47 0.280 5.899 -7.972 1.00 0.00 C ATOM 725 O CYS A 47 0.986 6.754 -8.507 1.00 0.00 O ATOM 726 CB CYS A 47 1.038 5.691 -5.597 1.00 0.00 C ATOM 727 SG CYS A 47 0.871 6.321 -3.910 1.00 0.00 S ATOM 0 H CYS A 47 -1.046 4.336 -5.682 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.437 7.068 -6.332 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.150 4.607 -5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.953 6.091 -6.034 1.00 0.00 H new ATOM 0 HG CYS A 47 1.745 7.262 -3.710 1.00 0.00 H new ATOM 733 N SER A 48 -0.158 4.819 -8.610 1.00 0.00 N ATOM 734 CA SER A 48 0.175 4.568 -10.007 1.00 0.00 C ATOM 735 C SER A 48 -0.709 5.397 -10.934 1.00 0.00 C ATOM 736 O SER A 48 -0.282 5.813 -12.011 1.00 0.00 O ATOM 737 CB SER A 48 0.021 3.081 -10.331 1.00 0.00 C ATOM 738 OG SER A 48 -0.141 2.877 -11.724 1.00 0.00 O ATOM 0 H SER A 48 -0.745 4.103 -8.181 1.00 0.00 H new ATOM 0 HA SER A 48 1.213 4.861 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.898 2.536 -9.980 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.840 2.677 -9.798 1.00 0.00 H new ATOM 0 HG SER A 48 0.508 3.425 -12.213 1.00 0.00 H new ATOM 744 N LYS A 49 -1.945 5.633 -10.507 1.00 0.00 N ATOM 745 CA LYS A 49 -2.891 6.413 -11.296 1.00 0.00 C ATOM 746 C LYS A 49 -2.191 7.576 -11.992 1.00 0.00 C ATOM 747 O LYS A 49 -2.428 7.839 -13.171 1.00 0.00 O ATOM 748 CB LYS A 49 -4.016 6.943 -10.403 1.00 0.00 C ATOM 749 CG LYS A 49 -4.790 5.850 -9.688 1.00 0.00 C ATOM 750 CD LYS A 49 -5.389 4.857 -10.670 1.00 0.00 C ATOM 751 CE LYS A 49 -6.263 3.832 -9.963 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.372 3.353 -10.834 1.00 0.00 N ATOM 0 H LYS A 49 -2.315 5.295 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.316 5.759 -12.058 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.592 7.621 -9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.707 7.527 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.128 5.326 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.585 6.297 -9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.981 5.391 -11.413 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.589 4.347 -11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.651 2.984 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.678 4.272 -9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.944 2.656 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.971 4.158 -11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.976 2.910 -11.688 1.00 0.00 H new ATOM 766 N PHE A 50 -1.326 8.266 -11.257 1.00 0.00 N ATOM 767 CA PHE A 50 -0.591 9.400 -11.805 1.00 0.00 C ATOM 768 C PHE A 50 0.595 8.927 -12.640 1.00 0.00 C ATOM 769 O PHE A 50 0.976 9.569 -13.617 1.00 0.00 O ATOM 770 CB PHE A 50 -0.104 10.312 -10.677 1.00 0.00 C ATOM 771 CG PHE A 50 -1.062 10.405 -9.524 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.083 9.426 -8.543 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.942 11.470 -9.421 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.964 9.508 -7.482 1.00 0.00 C ATOM 775 CE2 PHE A 50 -2.826 11.557 -8.361 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.836 10.576 -7.390 1.00 0.00 C ATOM 0 H PHE A 50 -1.117 8.060 -10.280 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.266 9.961 -12.451 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.856 9.945 -10.313 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.068 11.311 -11.077 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.403 8.590 -8.609 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.938 12.241 -10.177 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.971 8.738 -6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.508 12.392 -8.293 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.524 10.643 -6.560 1.00 0.00 H new ATOM 786 N GLY A 51 1.176 7.798 -12.245 1.00 0.00 N ATOM 787 CA GLY A 51 2.313 7.257 -12.967 1.00 0.00 C ATOM 788 C GLY A 51 2.559 5.795 -12.650 1.00 0.00 C ATOM 789 O GLY A 51 1.858 4.919 -13.154 1.00 0.00 O ATOM 0 H GLY A 51 0.880 7.249 -11.438 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.146 7.370 -14.038 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.204 7.834 -12.720 1.00 0.00 H new ATOM 793 N GLN A 52 3.559 5.533 -11.815 1.00 0.00 N ATOM 794 CA GLN A 52 3.897 4.167 -11.434 1.00 0.00 C ATOM 795 C GLN A 52 4.413 4.113 -10.000 1.00 0.00 C ATOM 796 O GLN A 52 4.518 5.140 -9.329 1.00 0.00 O ATOM 797 CB GLN A 52 4.946 3.593 -12.388 1.00 0.00 C ATOM 798 CG GLN A 52 4.388 3.219 -13.752 1.00 0.00 C ATOM 799 CD GLN A 52 5.456 2.710 -14.699 1.00 0.00 C ATOM 800 OE1 GLN A 52 5.759 1.516 -14.728 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.034 3.613 -15.482 1.00 0.00 N ATOM 0 H GLN A 52 4.149 6.248 -11.390 1.00 0.00 H new ATOM 0 HA GLN A 52 2.991 3.565 -11.497 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.744 4.324 -12.519 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.394 2.709 -11.933 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.622 2.454 -13.629 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.902 4.089 -14.193 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.753 4.592 -15.425 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.759 3.328 -16.140 1.00 0.00 H new ATOM 810 N ILE A 53 4.733 2.909 -9.536 1.00 0.00 N ATOM 811 CA ILE A 53 5.239 2.723 -8.182 1.00 0.00 C ATOM 812 C ILE A 53 6.640 2.121 -8.197 1.00 0.00 C ATOM 813 O ILE A 53 6.802 0.901 -8.244 1.00 0.00 O ATOM 814 CB ILE A 53 4.311 1.815 -7.355 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.866 1.949 -7.838 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.415 2.158 -5.876 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.286 3.331 -7.633 1.00 0.00 C ATOM 0 H ILE A 53 4.651 2.049 -10.078 1.00 0.00 H new ATOM 0 HA ILE A 53 5.275 3.709 -7.720 1.00 0.00 H new ATOM 0 HB ILE A 53 4.625 0.780 -7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.821 1.698 -8.898 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.247 1.222 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.753 1.508 -5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.442 2.015 -5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.124 3.197 -5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.259 3.353 -7.998 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.299 3.577 -6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.882 4.061 -8.182 1.00 0.00 H new ATOM 829 N ARG A 54 7.650 2.984 -8.155 1.00 0.00 N ATOM 830 CA ARG A 54 9.038 2.537 -8.163 1.00 0.00 C ATOM 831 C ARG A 54 9.316 1.607 -6.986 1.00 0.00 C ATOM 832 O ARG A 54 10.102 0.665 -7.097 1.00 0.00 O ATOM 833 CB ARG A 54 9.983 3.739 -8.111 1.00 0.00 C ATOM 834 CG ARG A 54 10.307 4.318 -9.479 1.00 0.00 C ATOM 835 CD ARG A 54 9.048 4.748 -10.215 1.00 0.00 C ATOM 836 NE ARG A 54 9.259 4.833 -11.657 1.00 0.00 N ATOM 837 CZ ARG A 54 9.548 3.786 -12.421 1.00 0.00 C ATOM 838 NH1 ARG A 54 9.658 2.579 -11.882 1.00 0.00 N ATOM 839 NH2 ARG A 54 9.726 3.943 -13.726 1.00 0.00 N ATOM 0 H ARG A 54 7.533 3.996 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 54 9.211 1.987 -9.088 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.534 4.517 -7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.911 3.440 -7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.973 5.173 -9.365 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.841 3.576 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.247 4.039 -10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.721 5.717 -9.839 1.00 0.00 H new ATOM 0 HE ARG A 54 9.180 5.747 -12.102 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.521 2.454 -10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.880 1.776 -12.470 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.641 4.869 -14.145 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.948 3.137 -14.311 1.00 0.00 H new ATOM 853 N LYS A 55 8.668 1.878 -5.858 1.00 0.00 N ATOM 854 CA LYS A 55 8.844 1.066 -4.660 1.00 0.00 C ATOM 855 C LYS A 55 7.750 1.359 -3.639 1.00 0.00 C ATOM 856 O LYS A 55 7.371 2.513 -3.433 1.00 0.00 O ATOM 857 CB LYS A 55 10.218 1.326 -4.040 1.00 0.00 C ATOM 858 CG LYS A 55 10.364 0.778 -2.631 1.00 0.00 C ATOM 859 CD LYS A 55 10.824 -0.670 -2.641 1.00 0.00 C ATOM 860 CE LYS A 55 11.606 -1.015 -1.383 1.00 0.00 C ATOM 861 NZ LYS A 55 11.971 -2.458 -1.335 1.00 0.00 N ATOM 0 H LYS A 55 8.016 2.654 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 55 8.775 0.017 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.984 0.881 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.402 2.400 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.080 1.384 -2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.410 0.854 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.958 -1.327 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.446 -0.849 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.512 -0.410 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.012 -0.761 -0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.503 -2.653 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.106 -3.036 -1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.559 -2.695 -2.159 1.00 0.00 H new ATOM 875 N LEU A 56 7.246 0.309 -3.000 1.00 0.00 N ATOM 876 CA LEU A 56 6.196 0.454 -1.998 1.00 0.00 C ATOM 877 C LEU A 56 6.541 -0.323 -0.731 1.00 0.00 C ATOM 878 O LEU A 56 6.800 -1.527 -0.779 1.00 0.00 O ATOM 879 CB LEU A 56 4.858 -0.031 -2.559 1.00 0.00 C ATOM 880 CG LEU A 56 3.606 0.598 -1.945 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.200 1.843 -2.719 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.465 -0.409 -1.914 1.00 0.00 C ATOM 0 H LEU A 56 7.548 -0.652 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 56 6.115 1.511 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.847 0.158 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.801 -1.111 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 56 3.834 0.891 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.308 2.277 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.011 2.570 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.990 1.575 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.582 0.055 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.237 -0.732 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.757 -1.272 -1.316 1.00 0.00 H new ATOM 894 N LEU A 57 6.540 0.371 0.401 1.00 0.00 N ATOM 895 CA LEU A 57 6.850 -0.254 1.682 1.00 0.00 C ATOM 896 C LEU A 57 5.741 0.004 2.697 1.00 0.00 C ATOM 897 O LEU A 57 5.581 1.123 3.187 1.00 0.00 O ATOM 898 CB LEU A 57 8.182 0.272 2.220 1.00 0.00 C ATOM 899 CG LEU A 57 9.407 0.021 1.340 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.510 1.017 1.663 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.906 -1.406 1.516 1.00 0.00 C ATOM 0 H LEU A 57 6.328 1.367 0.458 1.00 0.00 H new ATOM 0 HA LEU A 57 6.929 -1.330 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.088 1.346 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.361 -0.180 3.195 1.00 0.00 H new ATOM 0 HG LEU A 57 9.117 0.158 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.373 0.823 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.149 2.030 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.799 0.913 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.778 -1.567 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.179 -1.570 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.118 -2.104 1.233 1.00 0.00 H new ATOM 913 N LEU A 58 4.979 -1.038 3.011 1.00 0.00 N ATOM 914 CA LEU A 58 3.886 -0.925 3.970 1.00 0.00 C ATOM 915 C LEU A 58 4.353 -1.292 5.375 1.00 0.00 C ATOM 916 O LEU A 58 4.727 -2.435 5.637 1.00 0.00 O ATOM 917 CB LEU A 58 2.722 -1.827 3.556 1.00 0.00 C ATOM 918 CG LEU A 58 1.321 -1.312 3.890 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.263 -2.158 3.200 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.102 -1.302 5.396 1.00 0.00 C ATOM 0 H LEU A 58 5.098 -1.971 2.615 1.00 0.00 H new ATOM 0 HA LEU A 58 3.550 0.112 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.780 -1.990 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.854 -2.798 4.033 1.00 0.00 H new ATOM 0 HG LEU A 58 1.233 -0.289 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.727 -1.777 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.408 -2.113 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.349 -3.192 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.100 -0.933 5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.209 -2.314 5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.840 -0.652 5.867 1.00 0.00 H new ATOM 932 N PHE A 59 4.328 -0.315 6.276 1.00 0.00 N ATOM 933 CA PHE A 59 4.749 -0.536 7.654 1.00 0.00 C ATOM 934 C PHE A 59 3.611 -1.127 8.482 1.00 0.00 C ATOM 935 O PHE A 59 2.773 -0.400 9.014 1.00 0.00 O ATOM 936 CB PHE A 59 5.222 0.777 8.282 1.00 0.00 C ATOM 937 CG PHE A 59 6.167 1.552 7.410 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.265 0.933 6.834 1.00 0.00 C ATOM 939 CD2 PHE A 59 5.958 2.900 7.166 1.00 0.00 C ATOM 940 CE1 PHE A 59 8.137 1.643 6.030 1.00 0.00 C ATOM 941 CE2 PHE A 59 6.827 3.615 6.363 1.00 0.00 C ATOM 942 CZ PHE A 59 7.918 2.987 5.795 1.00 0.00 C ATOM 0 H PHE A 59 4.021 0.637 6.076 1.00 0.00 H new ATOM 0 HA PHE A 59 5.576 -1.246 7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.354 1.397 8.505 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.711 0.561 9.232 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.442 -0.117 7.015 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.107 3.397 7.608 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.988 1.148 5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.653 4.665 6.180 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.598 3.545 5.169 1.00 0.00 H new ATOM 952 N ASP A 60 3.589 -2.452 8.584 1.00 0.00 N ATOM 953 CA ASP A 60 2.555 -3.142 9.346 1.00 0.00 C ATOM 954 C ASP A 60 2.899 -3.163 10.833 1.00 0.00 C ATOM 955 O ASP A 60 2.491 -4.068 11.561 1.00 0.00 O ATOM 956 CB ASP A 60 2.380 -4.572 8.831 1.00 0.00 C ATOM 957 CG ASP A 60 3.648 -5.393 8.960 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.745 -4.797 8.949 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.543 -6.633 9.072 1.00 0.00 O ATOM 0 H ASP A 60 4.275 -3.069 8.149 1.00 0.00 H new ATOM 0 HA ASP A 60 1.619 -2.600 9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.577 -5.059 9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.074 -4.544 7.785 1.00 0.00 H new ATOM 964 N ARG A 61 3.651 -2.161 11.275 1.00 0.00 N ATOM 965 CA ARG A 61 4.052 -2.066 12.674 1.00 0.00 C ATOM 966 C ARG A 61 3.400 -0.860 13.345 1.00 0.00 C ATOM 967 O ARG A 61 2.925 -0.948 14.477 1.00 0.00 O ATOM 968 CB ARG A 61 5.574 -1.964 12.785 1.00 0.00 C ATOM 969 CG ARG A 61 6.317 -2.883 11.829 1.00 0.00 C ATOM 970 CD ARG A 61 5.783 -4.306 11.896 1.00 0.00 C ATOM 971 NE ARG A 61 6.812 -5.292 11.576 1.00 0.00 N ATOM 972 CZ ARG A 61 7.848 -5.555 12.364 1.00 0.00 C ATOM 973 NH1 ARG A 61 7.993 -4.908 13.513 1.00 0.00 N ATOM 974 NH2 ARG A 61 8.743 -6.466 12.004 1.00 0.00 N ATOM 0 H ARG A 61 3.995 -1.403 10.685 1.00 0.00 H new ATOM 0 HA ARG A 61 3.718 -2.969 13.184 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.876 -0.934 12.594 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.872 -2.199 13.807 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.222 -2.505 10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.380 -2.880 12.072 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.393 -4.500 12.895 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.949 -4.414 11.202 1.00 0.00 H new ATOM 0 HE ARG A 61 6.730 -5.807 10.699 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.308 -4.206 13.793 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.790 -5.112 14.116 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.636 -6.965 11.121 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.538 -6.667 12.610 1.00 0.00 H new ATOM 988 N HIS A 62 3.383 0.266 12.638 1.00 0.00 N ATOM 989 CA HIS A 62 2.789 1.490 13.165 1.00 0.00 C ATOM 990 C HIS A 62 1.285 1.326 13.357 1.00 0.00 C ATOM 991 O HIS A 62 0.541 1.051 12.415 1.00 0.00 O ATOM 992 CB HIS A 62 3.071 2.663 12.227 1.00 0.00 C ATOM 993 CG HIS A 62 3.287 3.962 12.940 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.414 4.455 13.887 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.285 4.871 12.842 1.00 0.00 C ATOM 996 CE1 HIS A 62 2.865 5.612 14.339 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.000 5.887 13.721 1.00 0.00 N ATOM 0 H HIS A 62 3.773 0.356 11.700 1.00 0.00 H new ATOM 0 HA HIS A 62 3.240 1.695 14.136 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.953 2.435 11.629 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.236 2.773 11.535 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.146 4.809 12.193 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.387 6.228 15.086 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.571 6.718 13.872 1.00 0.00 H new ATOM 1005 N PRO A 63 0.824 1.497 14.605 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.596 1.372 14.948 1.00 0.00 C ATOM 1007 C PRO A 63 -1.432 2.512 14.378 1.00 0.00 C ATOM 1008 O PRO A 63 -2.632 2.606 14.640 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.596 1.422 16.478 1.00 0.00 C ATOM 1010 CG PRO A 63 0.641 2.173 16.833 1.00 0.00 C ATOM 1011 CD PRO A 63 1.653 1.826 15.776 1.00 0.00 C ATOM 0 HA PRO A 63 -1.037 0.464 14.537 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.486 1.924 16.858 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.587 0.420 16.907 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.453 3.246 16.856 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.998 1.891 17.823 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.323 2.661 15.572 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.276 0.984 16.077 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.793 3.376 13.598 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.479 4.510 12.989 1.00 0.00 C ATOM 1021 C ASP A 64 -1.468 4.398 11.467 1.00 0.00 C ATOM 1022 O ASP A 64 -1.693 5.380 10.761 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.824 5.822 13.421 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.725 7.021 13.196 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -1.770 7.521 12.053 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -2.384 7.459 14.162 1.00 0.00 O ATOM 0 H ASP A 64 0.200 3.313 13.372 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.515 4.502 13.329 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.560 5.763 14.477 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.105 5.960 12.868 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.202 3.195 10.969 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.165 2.978 9.534 1.00 0.00 C ATOM 1033 C GLY A 65 -0.210 3.921 8.830 1.00 0.00 C ATOM 1034 O GLY A 65 -0.548 5.075 8.565 1.00 0.00 O ATOM 0 H GLY A 65 -1.011 2.367 11.533 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.869 1.949 9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.167 3.107 9.124 1.00 0.00 H new ATOM 1038 N VAL A 66 0.988 3.431 8.526 1.00 0.00 N ATOM 1039 CA VAL A 66 1.995 4.238 7.849 1.00 0.00 C ATOM 1040 C VAL A 66 2.638 3.466 6.702 1.00 0.00 C ATOM 1041 O VAL A 66 3.185 2.382 6.900 1.00 0.00 O ATOM 1042 CB VAL A 66 3.095 4.698 8.824 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.145 5.521 8.095 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.490 5.488 9.975 1.00 0.00 C ATOM 0 H VAL A 66 1.284 2.478 8.738 1.00 0.00 H new ATOM 0 HA VAL A 66 1.483 5.114 7.451 1.00 0.00 H new ATOM 0 HB VAL A 66 3.583 3.815 9.237 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.914 5.837 8.800 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.599 4.917 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.676 6.399 7.652 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.281 5.805 10.654 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.975 6.365 9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.780 4.860 10.513 1.00 0.00 H new ATOM 1054 N ALA A 67 2.568 4.033 5.502 1.00 0.00 N ATOM 1055 CA ALA A 67 3.145 3.400 4.323 1.00 0.00 C ATOM 1056 C ALA A 67 4.088 4.352 3.595 1.00 0.00 C ATOM 1057 O ALA A 67 4.004 5.569 3.757 1.00 0.00 O ATOM 1058 CB ALA A 67 2.044 2.924 3.387 1.00 0.00 C ATOM 0 H ALA A 67 2.117 4.930 5.321 1.00 0.00 H new ATOM 0 HA ALA A 67 3.725 2.537 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.490 2.453 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.413 2.202 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.440 3.775 3.074 1.00 0.00 H new ATOM 1064 N SER A 68 4.985 3.789 2.791 1.00 0.00 N ATOM 1065 CA SER A 68 5.947 4.588 2.041 1.00 0.00 C ATOM 1066 C SER A 68 5.865 4.277 0.550 1.00 0.00 C ATOM 1067 O SER A 68 6.313 3.223 0.098 1.00 0.00 O ATOM 1068 CB SER A 68 7.366 4.328 2.551 1.00 0.00 C ATOM 1069 OG SER A 68 8.211 5.435 2.292 1.00 0.00 O ATOM 0 H SER A 68 5.065 2.783 2.643 1.00 0.00 H new ATOM 0 HA SER A 68 5.703 5.640 2.189 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.340 4.129 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.771 3.437 2.071 1.00 0.00 H new ATOM 0 HG SER A 68 9.136 5.126 2.199 1.00 0.00 H new ATOM 1075 N VAL A 69 5.289 5.204 -0.211 1.00 0.00 N ATOM 1076 CA VAL A 69 5.149 5.031 -1.651 1.00 0.00 C ATOM 1077 C VAL A 69 6.205 5.830 -2.406 1.00 0.00 C ATOM 1078 O VAL A 69 6.096 7.048 -2.544 1.00 0.00 O ATOM 1079 CB VAL A 69 3.752 5.462 -2.135 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.454 4.870 -3.504 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.689 5.053 -1.126 1.00 0.00 C ATOM 0 H VAL A 69 4.912 6.082 0.147 1.00 0.00 H new ATOM 0 HA VAL A 69 5.285 3.969 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 69 3.737 6.548 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.463 5.186 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.198 5.217 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.487 3.782 -3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.708 5.365 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.702 3.970 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.894 5.530 -0.168 1.00 0.00 H new ATOM 1091 N SER A 70 7.228 5.136 -2.895 1.00 0.00 N ATOM 1092 CA SER A 70 8.306 5.781 -3.634 1.00 0.00 C ATOM 1093 C SER A 70 7.874 6.096 -5.063 1.00 0.00 C ATOM 1094 O SER A 70 7.123 5.338 -5.678 1.00 0.00 O ATOM 1095 CB SER A 70 9.548 4.887 -3.650 1.00 0.00 C ATOM 1096 OG SER A 70 9.797 4.337 -2.369 1.00 0.00 O ATOM 0 H SER A 70 7.332 4.127 -2.792 1.00 0.00 H new ATOM 0 HA SER A 70 8.547 6.718 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.412 4.084 -4.374 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.412 5.466 -3.975 1.00 0.00 H new ATOM 0 HG SER A 70 9.176 3.597 -2.204 1.00 0.00 H new ATOM 1102 N PHE A 71 8.352 7.221 -5.585 1.00 0.00 N ATOM 1103 CA PHE A 71 8.015 7.638 -6.940 1.00 0.00 C ATOM 1104 C PHE A 71 9.276 7.883 -7.764 1.00 0.00 C ATOM 1105 O PHE A 71 10.393 7.753 -7.262 1.00 0.00 O ATOM 1106 CB PHE A 71 7.159 8.906 -6.908 1.00 0.00 C ATOM 1107 CG PHE A 71 5.735 8.658 -6.501 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.411 8.421 -5.175 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.720 8.663 -7.444 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.101 8.191 -4.798 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.408 8.434 -7.073 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.099 8.199 -5.748 1.00 0.00 C ATOM 0 H PHE A 71 8.974 7.860 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 71 7.446 6.835 -7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.607 9.620 -6.217 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.171 9.368 -7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.191 8.416 -4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.957 8.848 -8.481 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.862 8.005 -3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.626 8.439 -7.818 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.075 8.022 -5.455 1.00 0.00 H new ATOM 1122 N ARG A 72 9.089 8.238 -9.031 1.00 0.00 N ATOM 1123 CA ARG A 72 10.210 8.500 -9.925 1.00 0.00 C ATOM 1124 C ARG A 72 10.210 9.954 -10.387 1.00 0.00 C ATOM 1125 O ARG A 72 11.267 10.546 -10.606 1.00 0.00 O ATOM 1126 CB ARG A 72 10.152 7.568 -11.137 1.00 0.00 C ATOM 1127 CG ARG A 72 11.049 8.004 -12.284 1.00 0.00 C ATOM 1128 CD ARG A 72 12.508 7.677 -12.004 1.00 0.00 C ATOM 1129 NE ARG A 72 13.174 8.740 -11.258 1.00 0.00 N ATOM 1130 CZ ARG A 72 13.716 9.811 -11.828 1.00 0.00 C ATOM 1131 NH1 ARG A 72 13.670 9.959 -13.145 1.00 0.00 N ATOM 1132 NH2 ARG A 72 14.305 10.736 -11.081 1.00 0.00 N ATOM 0 H ARG A 72 8.171 8.351 -9.461 1.00 0.00 H new ATOM 0 HA ARG A 72 11.132 8.312 -9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.437 6.563 -10.826 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.123 7.512 -11.493 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.734 7.509 -13.203 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.940 9.076 -12.446 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.569 6.746 -11.441 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.030 7.514 -12.947 1.00 0.00 H new ATOM 0 HE ARG A 72 13.226 8.656 -10.243 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.218 9.250 -13.722 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.087 10.782 -13.581 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.342 10.626 -10.068 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.721 11.558 -11.520 1.00 0.00 H new ATOM 1146 N ASP A 73 9.018 10.523 -10.532 1.00 0.00 N ATOM 1147 CA ASP A 73 8.880 11.908 -10.967 1.00 0.00 C ATOM 1148 C ASP A 73 8.488 12.807 -9.800 1.00 0.00 C ATOM 1149 O ASP A 73 7.656 12.454 -8.963 1.00 0.00 O ATOM 1150 CB ASP A 73 7.837 12.013 -12.081 1.00 0.00 C ATOM 1151 CG ASP A 73 8.440 11.821 -13.459 1.00 0.00 C ATOM 1152 OD1 ASP A 73 9.417 11.053 -13.577 1.00 0.00 O ATOM 1153 OD2 ASP A 73 7.935 12.440 -14.419 1.00 0.00 O ATOM 0 H ASP A 73 8.134 10.047 -10.355 1.00 0.00 H new ATOM 0 HA ASP A 73 9.845 12.241 -11.350 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.061 11.265 -11.920 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.354 12.989 -12.032 1.00 0.00 H new ATOM 1158 N PRO A 74 9.100 13.999 -9.739 1.00 0.00 N ATOM 1159 CA PRO A 74 8.832 14.974 -8.677 1.00 0.00 C ATOM 1160 C PRO A 74 7.440 15.586 -8.791 1.00 0.00 C ATOM 1161 O PRO A 74 6.911 16.130 -7.823 1.00 0.00 O ATOM 1162 CB PRO A 74 9.905 16.043 -8.897 1.00 0.00 C ATOM 1163 CG PRO A 74 10.252 15.939 -10.343 1.00 0.00 C ATOM 1164 CD PRO A 74 10.102 14.487 -10.701 1.00 0.00 C ATOM 0 HA PRO A 74 8.862 14.518 -7.688 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.531 17.036 -8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.776 15.865 -8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.592 16.560 -10.948 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.270 16.283 -10.526 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.766 14.360 -11.730 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.046 13.950 -10.605 1.00 0.00 H new ATOM 1172 N GLU A 75 6.852 15.492 -9.980 1.00 0.00 N ATOM 1173 CA GLU A 75 5.521 16.038 -10.219 1.00 0.00 C ATOM 1174 C GLU A 75 4.443 15.078 -9.723 1.00 0.00 C ATOM 1175 O GLU A 75 3.598 15.447 -8.908 1.00 0.00 O ATOM 1176 CB GLU A 75 5.322 16.320 -11.709 1.00 0.00 C ATOM 1177 CG GLU A 75 6.034 17.572 -12.193 1.00 0.00 C ATOM 1178 CD GLU A 75 5.495 18.076 -13.517 1.00 0.00 C ATOM 1179 OE1 GLU A 75 4.257 18.106 -13.681 1.00 0.00 O ATOM 1180 OE2 GLU A 75 6.311 18.439 -14.391 1.00 0.00 O ATOM 0 H GLU A 75 7.276 15.043 -10.792 1.00 0.00 H new ATOM 0 HA GLU A 75 5.434 16.973 -9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.679 15.465 -12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.256 16.417 -11.912 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.933 18.356 -11.442 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.099 17.363 -12.295 1.00 0.00 H new ATOM 1187 N GLU A 76 4.481 13.846 -10.221 1.00 0.00 N ATOM 1188 CA GLU A 76 3.506 12.835 -9.830 1.00 0.00 C ATOM 1189 C GLU A 76 3.359 12.779 -8.312 1.00 0.00 C ATOM 1190 O GLU A 76 2.249 12.811 -7.784 1.00 0.00 O ATOM 1191 CB GLU A 76 3.920 11.462 -10.364 1.00 0.00 C ATOM 1192 CG GLU A 76 3.440 11.189 -11.780 1.00 0.00 C ATOM 1193 CD GLU A 76 4.360 11.777 -12.831 1.00 0.00 C ATOM 1194 OE1 GLU A 76 4.531 13.014 -12.847 1.00 0.00 O ATOM 1195 OE2 GLU A 76 4.911 10.999 -13.639 1.00 0.00 O ATOM 0 H GLU A 76 5.176 13.524 -10.895 1.00 0.00 H new ATOM 0 HA GLU A 76 2.543 13.110 -10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.007 11.383 -10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.528 10.691 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.362 10.112 -11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.439 11.602 -11.906 1.00 0.00 H new ATOM 1202 N ALA A 77 4.489 12.695 -7.617 1.00 0.00 N ATOM 1203 CA ALA A 77 4.487 12.636 -6.161 1.00 0.00 C ATOM 1204 C ALA A 77 3.834 13.877 -5.562 1.00 0.00 C ATOM 1205 O ALA A 77 2.748 13.803 -4.988 1.00 0.00 O ATOM 1206 CB ALA A 77 5.907 12.480 -5.637 1.00 0.00 C ATOM 0 H ALA A 77 5.417 12.666 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 77 3.902 11.767 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.890 12.437 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.341 11.560 -6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.509 13.331 -5.958 1.00 0.00 H new ATOM 1212 N ASP A 78 4.504 15.016 -5.699 1.00 0.00 N ATOM 1213 CA ASP A 78 3.988 16.274 -5.172 1.00 0.00 C ATOM 1214 C ASP A 78 2.483 16.383 -5.400 1.00 0.00 C ATOM 1215 O ASP A 78 1.775 17.039 -4.636 1.00 0.00 O ATOM 1216 CB ASP A 78 4.702 17.457 -5.826 1.00 0.00 C ATOM 1217 CG ASP A 78 4.471 18.758 -5.081 1.00 0.00 C ATOM 1218 OD1 ASP A 78 4.552 18.750 -3.836 1.00 0.00 O ATOM 1219 OD2 ASP A 78 4.208 19.783 -5.745 1.00 0.00 O ATOM 0 H ASP A 78 5.405 15.094 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 78 4.177 16.294 -4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.772 17.252 -5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.355 17.564 -6.854 1.00 0.00 H new ATOM 1224 N TYR A 79 2.002 15.736 -6.456 1.00 0.00 N ATOM 1225 CA TYR A 79 0.583 15.763 -6.787 1.00 0.00 C ATOM 1226 C TYR A 79 -0.159 14.623 -6.097 1.00 0.00 C ATOM 1227 O TYR A 79 -1.319 14.767 -5.708 1.00 0.00 O ATOM 1228 CB TYR A 79 0.388 15.671 -8.301 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.062 15.640 -8.725 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -1.987 16.517 -8.171 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.509 14.733 -9.678 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.314 16.492 -8.554 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.834 14.702 -10.069 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.732 15.583 -9.504 1.00 0.00 C ATOM 1235 OH TYR A 79 -5.053 15.555 -9.889 1.00 0.00 O ATOM 0 H TYR A 79 2.574 15.187 -7.097 1.00 0.00 H new ATOM 0 HA TYR A 79 0.172 16.708 -6.432 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.878 16.522 -8.774 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.884 14.773 -8.669 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.663 17.231 -7.428 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.809 14.040 -10.121 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.020 17.180 -8.112 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.164 13.992 -10.813 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.182 14.858 -10.566 1.00 0.00 H new ATOM 1245 N CYS A 80 0.518 13.490 -5.947 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.075 12.323 -5.304 1.00 0.00 C ATOM 1247 C CYS A 80 -0.300 12.578 -3.817 1.00 0.00 C ATOM 1248 O CYS A 80 -1.066 11.868 -3.165 1.00 0.00 O ATOM 1249 CB CYS A 80 0.821 11.099 -5.494 1.00 0.00 C ATOM 1250 SG CYS A 80 2.052 10.875 -4.188 1.00 0.00 S ATOM 0 H CYS A 80 1.479 13.355 -6.262 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.041 12.133 -5.772 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.195 10.208 -5.545 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.334 11.183 -6.452 1.00 0.00 H new ATOM 0 HG CYS A 80 2.828 9.876 -4.490 1.00 0.00 H new ATOM 1256 N ILE A 81 0.373 13.594 -3.287 1.00 0.00 N ATOM 1257 CA ILE A 81 0.246 13.941 -1.877 1.00 0.00 C ATOM 1258 C ILE A 81 -0.988 14.802 -1.632 1.00 0.00 C ATOM 1259 O ILE A 81 -1.568 14.777 -0.547 1.00 0.00 O ATOM 1260 CB ILE A 81 1.491 14.691 -1.368 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.364 16.188 -1.655 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.749 14.128 -2.013 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.537 16.932 -0.629 1.00 0.00 C ATOM 0 H ILE A 81 1.011 14.191 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 81 0.147 13.004 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 81 1.565 14.552 -0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.360 16.628 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.916 16.324 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.620 14.668 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.844 13.071 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.685 14.241 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.490 17.988 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.471 16.518 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.996 16.827 0.354 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.384 15.562 -2.648 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.551 16.430 -2.542 1.00 0.00 C ATOM 1277 C GLN A 82 -3.812 15.706 -3.003 1.00 0.00 C ATOM 1278 O GLN A 82 -4.924 16.062 -2.612 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.345 17.699 -3.371 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.708 17.444 -4.727 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.650 18.689 -5.589 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.590 18.994 -6.324 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.544 19.418 -5.503 1.00 0.00 N ATOM 0 H GLN A 82 -0.914 15.594 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.675 16.705 -1.494 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.308 18.187 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.719 18.392 -2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.698 17.059 -4.583 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.272 16.671 -5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.211 19.128 -4.881 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.449 20.268 -6.059 1.00 0.00 H new ATOM 1292 N THR A 83 -3.632 14.688 -3.838 1.00 0.00 N ATOM 1293 CA THR A 83 -4.754 13.914 -4.354 1.00 0.00 C ATOM 1294 C THR A 83 -5.054 12.716 -3.461 1.00 0.00 C ATOM 1295 O THR A 83 -6.182 12.225 -3.422 1.00 0.00 O ATOM 1296 CB THR A 83 -4.483 13.417 -5.787 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.557 14.511 -6.708 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.484 12.343 -6.186 1.00 0.00 C ATOM 0 H THR A 83 -2.719 14.380 -4.172 1.00 0.00 H new ATOM 0 HA THR A 83 -5.617 14.580 -4.365 1.00 0.00 H new ATOM 0 HB THR A 83 -3.482 12.987 -5.815 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.681 14.647 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.273 12.008 -7.201 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.404 11.499 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.493 12.752 -6.142 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.037 12.251 -2.743 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.192 11.109 -1.848 1.00 0.00 C ATOM 1308 C LEU A 84 -4.483 11.570 -0.424 1.00 0.00 C ATOM 1309 O LEU A 84 -4.771 10.758 0.455 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.930 10.245 -1.870 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.547 9.650 -3.225 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.162 9.024 -3.162 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.579 8.622 -3.667 1.00 0.00 C ATOM 0 H LEU A 84 -3.097 12.647 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.037 10.516 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.095 10.847 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.061 9.428 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.526 10.455 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.907 8.606 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.431 9.785 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.155 8.232 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.290 8.209 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.632 7.820 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.555 9.100 -3.754 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.406 12.878 -0.203 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.664 13.447 1.114 1.00 0.00 C ATOM 1327 C ASP A 85 -6.127 13.268 1.507 1.00 0.00 C ATOM 1328 O ASP A 85 -6.517 13.559 2.637 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.297 14.932 1.132 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.464 15.821 0.750 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -6.201 15.462 -0.192 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.640 16.877 1.393 1.00 0.00 O ATOM 0 H ASP A 85 -4.167 13.564 -0.919 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.045 12.918 1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.947 15.205 2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.470 15.107 0.444 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.933 12.786 0.565 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.344 12.577 0.832 1.00 0.00 C ATOM 1339 C GLY A 86 -8.804 11.182 0.460 1.00 0.00 C ATOM 1340 O GLY A 86 -10.003 10.907 0.417 1.00 0.00 O ATOM 0 H GLY A 86 -6.634 12.537 -0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.540 12.751 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.928 13.309 0.275 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.849 10.298 0.188 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.162 8.924 -0.185 1.00 0.00 C ATOM 1346 C ARG A 87 -8.865 8.197 0.958 1.00 0.00 C ATOM 1347 O ARG A 87 -8.849 8.655 2.101 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.887 8.175 -0.573 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.418 8.462 -1.990 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.019 7.481 -2.985 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.317 7.930 -3.480 1.00 0.00 N ATOM 1352 CZ ARG A 87 -8.926 7.396 -4.533 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.358 6.399 -5.197 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.107 7.859 -4.923 1.00 0.00 N ATOM 0 H ARG A 87 -6.852 10.509 0.219 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.834 8.951 -1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.093 8.442 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.058 7.104 -0.466 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.695 9.479 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.330 8.405 -2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.336 7.352 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.129 6.506 -2.511 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.781 8.695 -2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.451 6.040 -4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.828 5.991 -6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.548 8.625 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.574 7.449 -5.732 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.480 7.064 0.642 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.188 6.274 1.642 1.00 0.00 C ATOM 1370 C TRP A 88 -9.721 4.823 1.621 1.00 0.00 C ATOM 1371 O TRP A 88 -9.771 4.159 0.586 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.697 6.340 1.400 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.290 7.682 1.706 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.192 8.814 0.948 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -13.070 8.032 2.854 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.865 9.846 1.556 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.413 9.393 2.726 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.514 7.329 3.977 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -14.177 10.060 3.679 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.272 7.993 4.922 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.598 9.347 4.769 1.00 0.00 C ATOM 0 H TRP A 88 -9.503 6.671 -0.299 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.966 6.693 2.623 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.902 6.089 0.359 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.189 5.585 2.013 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.663 8.887 0.009 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.944 10.796 1.194 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.269 6.285 4.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.429 11.104 3.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.619 7.459 5.794 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -15.193 9.837 5.525 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.266 4.335 2.771 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.789 2.962 2.884 1.00 0.00 C ATOM 1394 C PHE A 89 -9.475 2.241 4.040 1.00 0.00 C ATOM 1395 O PHE A 89 -9.694 2.818 5.104 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.272 2.942 3.084 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.497 3.077 1.804 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.693 4.168 0.972 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.572 2.114 1.434 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.982 4.294 -0.206 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.857 2.236 0.257 1.00 0.00 C ATOM 1402 CZ PHE A 89 -5.062 3.328 -0.564 1.00 0.00 C ATOM 0 H PHE A 89 -9.218 4.871 3.638 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.034 2.441 1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.991 3.753 3.757 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.990 2.010 3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.409 4.928 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.408 1.258 2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.146 5.148 -0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.139 1.478 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.504 3.426 -1.484 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.813 0.973 3.822 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.471 0.193 4.854 1.00 0.00 C ATOM 1414 C GLY A 90 -11.832 0.751 5.222 1.00 0.00 C ATOM 1415 O GLY A 90 -12.485 0.257 6.141 1.00 0.00 O ATOM 0 H GLY A 90 -9.643 0.473 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.584 -0.836 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.840 0.166 5.743 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.261 1.784 4.504 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.550 2.393 4.776 1.00 0.00 C ATOM 1421 C GLY A 91 -13.422 3.790 5.350 1.00 0.00 C ATOM 1422 O GLY A 91 -14.391 4.548 5.380 1.00 0.00 O ATOM 0 H GLY A 91 -11.739 2.210 3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.131 2.434 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.104 1.766 5.474 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.222 4.131 5.809 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.971 5.445 6.388 1.00 0.00 C ATOM 1428 C ARG A 92 -11.089 6.285 5.469 1.00 0.00 C ATOM 1429 O ARG A 92 -10.500 5.771 4.519 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.307 5.304 7.759 1.00 0.00 C ATOM 1431 CG ARG A 92 -9.996 4.537 7.725 1.00 0.00 C ATOM 1432 CD ARG A 92 -9.564 4.107 9.118 1.00 0.00 C ATOM 1433 NE ARG A 92 -10.135 2.817 9.495 1.00 0.00 N ATOM 1434 CZ ARG A 92 -9.770 1.664 8.947 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -8.838 1.640 8.004 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -10.336 0.531 9.343 1.00 0.00 N ATOM 0 H ARG A 92 -11.409 3.516 5.791 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.929 5.951 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.126 6.297 8.170 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.996 4.799 8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.104 3.658 7.089 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.221 5.160 7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.476 4.047 9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.868 4.863 9.841 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.853 2.801 10.219 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.400 2.509 7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.559 0.753 7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.052 0.545 10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.055 -0.354 8.921 1.00 0.00 H new ATOM 1450 N GLN A 93 -11.005 7.580 5.758 1.00 0.00 N ATOM 1451 CA GLN A 93 -10.197 8.491 4.956 1.00 0.00 C ATOM 1452 C GLN A 93 -8.737 8.454 5.396 1.00 0.00 C ATOM 1453 O GLN A 93 -8.425 8.027 6.508 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.739 9.917 5.064 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.501 10.754 3.818 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.592 12.243 4.089 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.731 12.670 5.235 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.515 13.043 3.032 1.00 0.00 N ATOM 0 H GLN A 93 -11.487 8.022 6.541 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.253 8.167 3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.810 9.876 5.265 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.273 10.410 5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.517 10.522 3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.232 10.482 3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.400 12.646 2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.571 14.054 3.153 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.848 8.903 4.517 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.421 8.922 4.816 1.00 0.00 C ATOM 1469 C ILE A 94 -5.778 10.222 4.345 1.00 0.00 C ATOM 1470 O ILE A 94 -6.369 10.976 3.572 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.693 7.735 4.159 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.320 8.074 2.714 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.561 6.487 4.209 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.767 6.897 1.941 1.00 0.00 C ATOM 0 H ILE A 94 -8.090 9.258 3.592 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.324 8.843 5.899 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.776 7.538 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.202 8.454 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.582 8.876 2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.032 5.657 3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.780 6.238 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.493 6.671 3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.524 7.210 0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.866 6.530 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.512 6.102 1.907 1.00 0.00 H new ATOM 1486 N THR A 95 -4.562 10.479 4.816 1.00 0.00 N ATOM 1487 CA THR A 95 -3.837 11.687 4.444 1.00 0.00 C ATOM 1488 C THR A 95 -2.550 11.349 3.701 1.00 0.00 C ATOM 1489 O THR A 95 -2.032 10.238 3.811 1.00 0.00 O ATOM 1490 CB THR A 95 -3.494 12.540 5.680 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.826 13.741 5.277 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.612 11.763 6.646 1.00 0.00 C ATOM 0 H THR A 95 -4.058 9.866 5.457 1.00 0.00 H new ATOM 0 HA THR A 95 -4.493 12.259 3.788 1.00 0.00 H new ATOM 0 HB THR A 95 -4.424 12.795 6.187 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.613 14.278 6.068 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.383 12.386 7.511 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.135 10.865 6.974 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.685 11.481 6.146 1.00 0.00 H new ATOM 1500 N ALA A 96 -2.038 12.314 2.944 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.809 12.120 2.185 1.00 0.00 C ATOM 1502 C ALA A 96 0.135 13.305 2.354 1.00 0.00 C ATOM 1503 O ALA A 96 -0.305 14.430 2.590 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.127 11.901 0.713 1.00 0.00 C ATOM 0 H ALA A 96 -2.456 13.239 2.840 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.308 11.233 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.200 11.758 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.756 11.017 0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.654 12.771 0.321 1.00 0.00 H new ATOM 1510 N GLN A 97 1.432 13.045 2.231 1.00 0.00 N ATOM 1511 CA GLN A 97 2.437 14.093 2.371 1.00 0.00 C ATOM 1512 C GLN A 97 3.783 13.633 1.821 1.00 0.00 C ATOM 1513 O GLN A 97 4.008 12.440 1.621 1.00 0.00 O ATOM 1514 CB GLN A 97 2.584 14.494 3.840 1.00 0.00 C ATOM 1515 CG GLN A 97 2.702 13.309 4.786 1.00 0.00 C ATOM 1516 CD GLN A 97 1.360 12.864 5.333 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.960 13.261 6.427 1.00 0.00 O ATOM 1518 NE2 GLN A 97 0.657 12.033 4.572 1.00 0.00 N ATOM 0 H GLN A 97 1.812 12.119 2.035 1.00 0.00 H new ATOM 0 HA GLN A 97 2.106 14.958 1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.466 15.125 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.724 15.096 4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.171 12.476 4.262 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.358 13.574 5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.027 11.729 3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.253 11.698 4.888 1.00 0.00 H new ATOM 1527 N ALA A 98 4.674 14.588 1.577 1.00 0.00 N ATOM 1528 CA ALA A 98 5.999 14.281 1.050 1.00 0.00 C ATOM 1529 C ALA A 98 6.994 14.034 2.179 1.00 0.00 C ATOM 1530 O ALA A 98 7.047 14.790 3.149 1.00 0.00 O ATOM 1531 CB ALA A 98 6.485 15.409 0.153 1.00 0.00 C ATOM 0 H ALA A 98 4.503 15.581 1.736 1.00 0.00 H new ATOM 0 HA ALA A 98 5.926 13.368 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.475 15.166 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.792 15.536 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.536 16.334 0.727 1.00 0.00 H new ATOM 1537 N TRP A 99 7.780 12.971 2.046 1.00 0.00 N ATOM 1538 CA TRP A 99 8.774 12.625 3.056 1.00 0.00 C ATOM 1539 C TRP A 99 10.098 13.329 2.780 1.00 0.00 C ATOM 1540 O TRP A 99 10.283 13.931 1.723 1.00 0.00 O ATOM 1541 CB TRP A 99 8.985 11.110 3.094 1.00 0.00 C ATOM 1542 CG TRP A 99 9.830 10.658 4.246 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.708 11.039 5.552 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.927 9.739 4.195 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.663 10.414 6.316 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.423 9.610 5.507 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.537 9.012 3.170 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.501 8.785 5.818 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.607 8.193 3.480 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.079 8.084 4.794 1.00 0.00 C ATOM 0 H TRP A 99 7.748 12.335 1.250 1.00 0.00 H new ATOM 0 HA TRP A 99 8.403 12.958 4.025 1.00 0.00 H new ATOM 0 HB2 TRP A 99 8.015 10.616 3.148 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.453 10.792 2.162 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.969 11.730 5.929 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.787 10.529 7.322 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.179 9.088 2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.868 8.701 6.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.087 7.627 2.695 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.916 7.434 5.004 1.00 0.00 H new ATOM 1561 N ASP A 100 11.016 13.248 3.738 1.00 0.00 N ATOM 1562 CA ASP A 100 12.324 13.877 3.597 1.00 0.00 C ATOM 1563 C ASP A 100 13.436 12.913 3.999 1.00 0.00 C ATOM 1564 O ASP A 100 14.262 12.524 3.174 1.00 0.00 O ATOM 1565 CB ASP A 100 12.398 15.145 4.450 1.00 0.00 C ATOM 1566 CG ASP A 100 11.441 16.220 3.973 1.00 0.00 C ATOM 1567 OD1 ASP A 100 10.215 15.997 4.046 1.00 0.00 O ATOM 1568 OD2 ASP A 100 11.919 17.284 3.528 1.00 0.00 O ATOM 0 H ASP A 100 10.878 12.753 4.619 1.00 0.00 H new ATOM 0 HA ASP A 100 12.461 14.145 2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.172 14.896 5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.416 15.534 4.430 1.00 0.00 H new ATOM 1573 N GLY A 101 13.451 12.532 5.272 1.00 0.00 N ATOM 1574 CA GLY A 101 14.466 11.618 5.761 1.00 0.00 C ATOM 1575 C GLY A 101 14.769 11.821 7.233 1.00 0.00 C ATOM 1576 O GLY A 101 15.914 12.072 7.611 1.00 0.00 O ATOM 0 H GLY A 101 12.778 12.840 5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.135 10.592 5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.380 11.752 5.183 1.00 0.00 H new ATOM 1580 N THR A 102 13.740 11.713 8.067 1.00 0.00 N ATOM 1581 CA THR A 102 13.900 11.889 9.505 1.00 0.00 C ATOM 1582 C THR A 102 13.224 10.761 10.276 1.00 0.00 C ATOM 1583 O THR A 102 13.797 10.205 11.214 1.00 0.00 O ATOM 1584 CB THR A 102 13.318 13.236 9.975 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.319 13.298 11.405 1.00 0.00 O ATOM 1586 CG2 THR A 102 11.901 13.424 9.455 1.00 0.00 C ATOM 0 H THR A 102 12.786 11.504 7.771 1.00 0.00 H new ATOM 0 HA THR A 102 14.971 11.873 9.707 1.00 0.00 H new ATOM 0 HB THR A 102 13.943 14.035 9.577 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.949 14.158 11.695 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.511 14.382 9.800 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.908 13.406 8.365 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.267 12.619 9.827 1.00 0.00 H new ATOM 1594 N THR A 103 12.002 10.425 9.874 1.00 0.00 N ATOM 1595 CA THR A 103 11.248 9.362 10.528 1.00 0.00 C ATOM 1596 C THR A 103 12.035 8.057 10.539 1.00 0.00 C ATOM 1597 O THR A 103 12.911 7.841 9.701 1.00 0.00 O ATOM 1598 CB THR A 103 9.893 9.126 9.833 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.005 8.430 10.715 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.074 8.326 8.552 1.00 0.00 C ATOM 0 H THR A 103 11.513 10.873 9.099 1.00 0.00 H new ATOM 0 HA THR A 103 11.071 9.684 11.554 1.00 0.00 H new ATOM 0 HB THR A 103 9.466 10.096 9.579 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.259 8.056 10.201 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.104 8.172 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.727 8.872 7.871 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.521 7.360 8.786 1.00 0.00 H new ATOM 1608 N ASP A 104 11.716 7.188 11.493 1.00 0.00 N ATOM 1609 CA ASP A 104 12.393 5.902 11.612 1.00 0.00 C ATOM 1610 C ASP A 104 11.458 4.759 11.230 1.00 0.00 C ATOM 1611 O ASP A 104 11.607 3.634 11.709 1.00 0.00 O ATOM 1612 CB ASP A 104 12.906 5.702 13.039 1.00 0.00 C ATOM 1613 CG ASP A 104 11.837 5.967 14.081 1.00 0.00 C ATOM 1614 OD1 ASP A 104 10.774 5.314 14.020 1.00 0.00 O ATOM 1615 OD2 ASP A 104 12.065 6.826 14.958 1.00 0.00 O ATOM 0 H ASP A 104 10.993 7.351 12.194 1.00 0.00 H new ATOM 0 HA ASP A 104 13.240 5.900 10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 104 13.273 4.682 13.150 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.752 6.366 13.214 1.00 0.00 H new ATOM 1620 N TYR A 105 10.494 5.054 10.365 1.00 0.00 N ATOM 1621 CA TYR A 105 9.532 4.052 9.921 1.00 0.00 C ATOM 1622 C TYR A 105 10.237 2.760 9.519 1.00 0.00 C ATOM 1623 O TYR A 105 10.001 1.704 10.104 1.00 0.00 O ATOM 1624 CB TYR A 105 8.713 4.587 8.745 1.00 0.00 C ATOM 1625 CG TYR A 105 7.781 5.717 9.120 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.039 5.670 10.294 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.642 6.830 8.300 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.185 6.700 10.640 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.792 7.865 8.640 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.065 7.795 9.810 1.00 0.00 C ATOM 1631 OH TYR A 105 5.217 8.823 10.151 1.00 0.00 O ATOM 0 H TYR A 105 10.358 5.979 9.957 1.00 0.00 H new ATOM 0 HA TYR A 105 8.862 3.835 10.753 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.393 4.932 7.966 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.129 3.771 8.319 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.131 4.815 10.947 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.208 6.887 7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.615 6.648 11.556 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.697 8.724 7.993 1.00 0.00 H new ATOM 0 HH TYR A 105 5.250 9.517 9.460 1.00 0.00 H new ATOM 1641 N GLN A 106 11.104 2.855 8.516 1.00 0.00 N ATOM 1642 CA GLN A 106 11.845 1.695 8.035 1.00 0.00 C ATOM 1643 C GLN A 106 13.302 1.756 8.480 1.00 0.00 C ATOM 1644 O GLN A 106 14.007 0.747 8.469 1.00 0.00 O ATOM 1645 CB GLN A 106 11.768 1.611 6.509 1.00 0.00 C ATOM 1646 CG GLN A 106 12.712 2.567 5.799 1.00 0.00 C ATOM 1647 CD GLN A 106 12.201 3.994 5.791 1.00 0.00 C ATOM 1648 OE1 GLN A 106 12.898 4.918 6.212 1.00 0.00 O ATOM 1649 NE2 GLN A 106 10.978 4.182 5.311 1.00 0.00 N ATOM 0 H GLN A 106 11.310 3.723 8.021 1.00 0.00 H new ATOM 0 HA GLN A 106 11.391 0.802 8.464 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.995 0.591 6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.746 1.821 6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 106 13.687 2.537 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.858 2.232 4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.435 3.387 4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.581 5.121 5.281 1.00 0.00 H new ATOM 1658 N SER A 107 13.747 2.946 8.870 1.00 0.00 N ATOM 1659 CA SER A 107 15.122 3.140 9.314 1.00 0.00 C ATOM 1660 C SER A 107 15.294 2.689 10.762 1.00 0.00 C ATOM 1661 O SER A 107 14.326 2.608 11.517 1.00 0.00 O ATOM 1662 CB SER A 107 15.523 4.610 9.175 1.00 0.00 C ATOM 1663 OG SER A 107 16.019 4.882 7.876 1.00 0.00 O ATOM 0 H SER A 107 13.175 3.790 8.887 1.00 0.00 H new ATOM 0 HA SER A 107 15.771 2.533 8.683 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.662 5.246 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 107 16.283 4.855 9.917 1.00 0.00 H new ATOM 0 HG SER A 107 16.267 5.828 7.812 1.00 0.00 H new ATOM 1669 N GLY A 108 16.534 2.397 11.141 1.00 0.00 N ATOM 1670 CA GLY A 108 16.811 1.958 12.497 1.00 0.00 C ATOM 1671 C GLY A 108 18.198 2.355 12.963 1.00 0.00 C ATOM 1672 O GLY A 108 19.150 2.397 12.183 1.00 0.00 O ATOM 0 H GLY A 108 17.352 2.456 10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.069 2.384 13.172 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.709 0.874 12.553 1.00 0.00 H new ATOM 1676 N PRO A 109 18.325 2.658 14.263 1.00 0.00 N ATOM 1677 CA PRO A 109 19.602 3.060 14.861 1.00 0.00 C ATOM 1678 C PRO A 109 20.598 1.908 14.931 1.00 0.00 C ATOM 1679 O PRO A 109 21.779 2.113 15.211 1.00 0.00 O ATOM 1680 CB PRO A 109 19.207 3.512 16.269 1.00 0.00 C ATOM 1681 CG PRO A 109 17.948 2.772 16.565 1.00 0.00 C ATOM 1682 CD PRO A 109 17.233 2.629 15.250 1.00 0.00 C ATOM 0 HA PRO A 109 20.102 3.831 14.275 1.00 0.00 H new ATOM 0 HB2 PRO A 109 19.986 3.275 16.994 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.052 4.590 16.310 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.162 1.796 17.001 1.00 0.00 H new ATOM 0 HG3 PRO A 109 17.336 3.315 17.285 1.00 0.00 H new ATOM 0 HD2 PRO A 109 16.669 1.697 15.198 1.00 0.00 H new ATOM 0 HD3 PRO A 109 16.523 3.440 15.088 1.00 0.00 H new ATOM 1690 N SER A 110 20.114 0.697 14.674 1.00 0.00 N ATOM 1691 CA SER A 110 20.963 -0.488 14.710 1.00 0.00 C ATOM 1692 C SER A 110 21.265 -0.984 13.300 1.00 0.00 C ATOM 1693 O SER A 110 20.373 -1.073 12.456 1.00 0.00 O ATOM 1694 CB SER A 110 20.289 -1.598 15.520 1.00 0.00 C ATOM 1695 OG SER A 110 21.252 -2.443 16.126 1.00 0.00 O ATOM 0 H SER A 110 19.139 0.511 14.439 1.00 0.00 H new ATOM 0 HA SER A 110 21.904 -0.217 15.189 1.00 0.00 H new ATOM 0 HB2 SER A 110 19.653 -1.157 16.288 1.00 0.00 H new ATOM 0 HB3 SER A 110 19.642 -2.186 14.869 1.00 0.00 H new ATOM 0 HG SER A 110 20.797 -3.143 16.639 1.00 0.00 H new ATOM 1701 N SER A 111 22.530 -1.306 13.051 1.00 0.00 N ATOM 1702 CA SER A 111 22.953 -1.790 11.742 1.00 0.00 C ATOM 1703 C SER A 111 21.992 -2.854 11.219 1.00 0.00 C ATOM 1704 O SER A 111 21.205 -3.421 11.976 1.00 0.00 O ATOM 1705 CB SER A 111 24.371 -2.360 11.818 1.00 0.00 C ATOM 1706 OG SER A 111 25.337 -1.324 11.838 1.00 0.00 O ATOM 0 H SER A 111 23.280 -1.240 13.739 1.00 0.00 H new ATOM 0 HA SER A 111 22.945 -0.947 11.051 1.00 0.00 H new ATOM 0 HB2 SER A 111 24.472 -2.973 12.714 1.00 0.00 H new ATOM 0 HB3 SER A 111 24.550 -3.012 10.963 1.00 0.00 H new ATOM 0 HG SER A 111 26.234 -1.714 11.889 1.00 0.00 H new ATOM 1712 N GLY A 112 22.063 -3.119 9.918 1.00 0.00 N ATOM 1713 CA GLY A 112 21.195 -4.113 9.315 1.00 0.00 C ATOM 1714 C GLY A 112 21.694 -4.573 7.960 1.00 0.00 C ATOM 1715 O GLY A 112 22.867 -4.399 7.631 1.00 0.00 O ATOM 0 H GLY A 112 22.706 -2.663 9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 112 21.115 -4.973 9.980 1.00 0.00 H new ATOM 0 HA3 GLY A 112 20.193 -3.699 9.208 1.00 0.00 H new TER 1719 GLY A 112