USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 653 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.444 (180deg=-0.186) USER MOD Single : A 7 THR OG1 : rot -77:sc= 0.00705 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0061 USER MOD Single : A 21 HIS : no HD1:sc= -1.96 X(o=-2,f=-1.9) USER MOD Single : A 38 SER OG : rot -108:sc= -1.45 USER MOD Single : A 45 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 46 MET CE :methyl -118:sc= -2.14 (180deg=-8.26!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc=0.000708 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.663 K(o=0.66,f=-1.2) USER MOD Single : A 56 ASN : amide:sc= 0.523 K(o=0.52,f=0) USER MOD Single : A 62 MET CE :methyl -176:sc= -2.99 (180deg=-3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 160:sc= -0.835 (180deg=-2.31!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 72 ASN : amide:sc= 0.331 K(o=0.33,f=-8.3!) USER MOD Single : A 75 THR OG1 : rot -52:sc= 1.1 USER MOD Single : A 77 THR OG1 : rot -59:sc= 0.622 USER MOD Single : A 81 MET CE :methyl -118:sc= -1.5 (180deg=-2.97!) USER MOD Single : A 94 HIS : no HD1:sc= -0.0812 X(o=-0.081,f=-0.062) USER MOD Single : A 97 HIS : no HD1:sc= -0.0622 X(o=-0.062,f=-0.0029) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.079 -6.727 -13.282 1.00 64.43 N ATOM 2 CA MET A 1 11.570 -6.172 -14.530 1.00 43.43 C ATOM 3 C MET A 1 10.044 -6.211 -14.560 1.00 12.15 C ATOM 4 O MET A 1 9.448 -6.899 -15.388 1.00 14.42 O ATOM 5 CB MET A 1 12.134 -6.944 -15.725 1.00 51.31 C ATOM 6 CG MET A 1 12.006 -8.452 -15.589 1.00 12.04 C ATOM 7 SD MET A 1 13.513 -9.224 -14.969 1.00 25.04 S ATOM 8 CE MET A 1 12.833 -10.574 -14.010 1.00 61.43 C ATOM 0 H1 MET A 1 12.500 -5.967 -12.711 1.00 64.43 H new ATOM 0 H2 MET A 1 11.298 -7.166 -12.753 1.00 64.43 H new ATOM 0 H3 MET A 1 12.802 -7.445 -13.491 1.00 64.43 H new ATOM 0 HA MET A 1 11.892 -5.132 -14.594 1.00 43.43 H new ATOM 0 HB2 MET A 1 11.618 -6.624 -16.630 1.00 51.31 H new ATOM 0 HB3 MET A 1 13.186 -6.687 -15.850 1.00 51.31 H new ATOM 0 HG2 MET A 1 11.180 -8.683 -14.916 1.00 12.04 H new ATOM 0 HG3 MET A 1 11.756 -8.880 -16.559 1.00 12.04 H new ATOM 0 HE1 MET A 1 13.645 -11.147 -13.562 1.00 61.43 H new ATOM 0 HE2 MET A 1 12.193 -10.175 -13.223 1.00 61.43 H new ATOM 0 HE3 MET A 1 12.247 -11.223 -14.660 1.00 61.43 H new ATOM 16 N ALA A 2 9.421 -5.467 -13.652 1.00 12.03 N ATOM 17 CA ALA A 2 7.966 -5.415 -13.576 1.00 74.23 C ATOM 18 C ALA A 2 7.483 -4.006 -13.251 1.00 31.11 C ATOM 19 O ALA A 2 7.767 -3.475 -12.177 1.00 71.40 O ATOM 20 CB ALA A 2 7.457 -6.403 -12.537 1.00 74.11 C ATOM 0 H ALA A 2 9.901 -4.892 -12.959 1.00 12.03 H new ATOM 0 HA ALA A 2 7.565 -5.691 -14.551 1.00 74.23 H new ATOM 0 HB1 ALA A 2 6.369 -6.354 -12.490 1.00 74.11 H new ATOM 0 HB2 ALA A 2 7.763 -7.412 -12.814 1.00 74.11 H new ATOM 0 HB3 ALA A 2 7.874 -6.152 -11.562 1.00 74.11 H new ATOM 26 N ARG A 3 6.752 -3.406 -14.184 1.00 2.13 N ATOM 27 CA ARG A 3 6.232 -2.057 -13.997 1.00 11.51 C ATOM 28 C ARG A 3 4.938 -1.859 -14.781 1.00 72.51 C ATOM 29 O ARG A 3 4.624 -2.635 -15.683 1.00 42.04 O ATOM 30 CB ARG A 3 7.269 -1.021 -14.436 1.00 34.20 C ATOM 31 CG ARG A 3 8.456 -0.911 -13.492 1.00 75.21 C ATOM 32 CD ARG A 3 9.495 0.067 -14.016 1.00 31.12 C ATOM 33 NE ARG A 3 10.837 -0.247 -13.530 1.00 43.54 N ATOM 34 CZ ARG A 3 11.950 0.181 -14.116 1.00 42.15 C ATOM 35 NH1 ARG A 3 11.882 0.937 -15.204 1.00 73.24 N ATOM 36 NH2 ARG A 3 13.134 -0.147 -13.615 1.00 53.24 N ATOM 0 H ARG A 3 6.506 -3.833 -15.077 1.00 2.13 H new ATOM 0 HA ARG A 3 6.019 -1.922 -12.937 1.00 11.51 H new ATOM 0 HB2 ARG A 3 7.630 -1.279 -15.432 1.00 34.20 H new ATOM 0 HB3 ARG A 3 6.786 -0.047 -14.515 1.00 34.20 H new ATOM 0 HG2 ARG A 3 8.112 -0.587 -12.510 1.00 75.21 H new ATOM 0 HG3 ARG A 3 8.911 -1.893 -13.362 1.00 75.21 H new ATOM 0 HD2 ARG A 3 9.491 0.051 -15.106 1.00 31.12 H new ATOM 0 HD3 ARG A 3 9.227 1.079 -13.712 1.00 31.12 H new ATOM 0 HE ARG A 3 10.924 -0.827 -12.695 1.00 43.54 H new ATOM 0 HH11 ARG A 3 10.974 1.191 -15.593 1.00 73.24 H new ATOM 0 HH12 ARG A 3 12.738 1.264 -15.652 1.00 73.24 H new ATOM 0 HH21 ARG A 3 13.191 -0.728 -12.779 1.00 53.24 H new ATOM 0 HH22 ARG A 3 13.988 0.182 -14.066 1.00 53.24 H new ATOM 47 N ALA A 4 4.192 -0.818 -14.430 1.00 34.03 N ATOM 48 CA ALA A 4 2.934 -0.518 -15.102 1.00 34.22 C ATOM 49 C ALA A 4 3.177 0.064 -16.490 1.00 31.21 C ATOM 50 O ALA A 4 2.474 -0.267 -17.444 1.00 62.35 O ATOM 51 CB ALA A 4 2.104 0.443 -14.263 1.00 12.45 C ATOM 0 H ALA A 4 4.437 -0.167 -13.684 1.00 34.03 H new ATOM 0 HA ALA A 4 2.383 -1.451 -15.220 1.00 34.22 H new ATOM 0 HB1 ALA A 4 1.167 0.659 -14.777 1.00 12.45 H new ATOM 0 HB2 ALA A 4 1.891 -0.010 -13.295 1.00 12.45 H new ATOM 0 HB3 ALA A 4 2.659 1.370 -14.116 1.00 12.45 H new ATOM 57 N ASP A 5 4.176 0.933 -16.595 1.00 62.20 N ATOM 58 CA ASP A 5 4.513 1.560 -17.867 1.00 40.34 C ATOM 59 C ASP A 5 5.079 0.536 -18.846 1.00 11.45 C ATOM 60 O ASP A 5 5.180 0.798 -20.045 1.00 74.42 O ATOM 61 CB ASP A 5 5.521 2.690 -17.652 1.00 24.14 C ATOM 62 CG ASP A 5 6.888 2.176 -17.245 1.00 14.02 C ATOM 63 OD1 ASP A 5 6.952 1.115 -16.591 1.00 64.52 O ATOM 64 OD2 ASP A 5 7.895 2.836 -17.579 1.00 50.51 O ATOM 0 H ASP A 5 4.767 1.219 -15.814 1.00 62.20 H new ATOM 0 HA ASP A 5 3.599 1.975 -18.292 1.00 40.34 H new ATOM 0 HB2 ASP A 5 5.613 3.271 -18.570 1.00 24.14 H new ATOM 0 HB3 ASP A 5 5.146 3.366 -16.883 1.00 24.14 H new ATOM 68 N ASP A 6 5.448 -0.629 -18.327 1.00 34.23 N ATOM 69 CA ASP A 6 6.005 -1.694 -19.154 1.00 52.31 C ATOM 70 C ASP A 6 4.960 -2.771 -19.428 1.00 52.20 C ATOM 71 O ASP A 6 4.746 -3.166 -20.575 1.00 13.14 O ATOM 72 CB ASP A 6 7.227 -2.312 -18.473 1.00 32.50 C ATOM 73 CG ASP A 6 8.086 -3.107 -19.436 1.00 51.52 C ATOM 74 OD1 ASP A 6 7.521 -3.734 -20.355 1.00 61.33 O ATOM 75 OD2 ASP A 6 9.324 -3.102 -19.271 1.00 51.33 O ATOM 0 H ASP A 6 5.372 -0.861 -17.337 1.00 34.23 H new ATOM 0 HA ASP A 6 6.311 -1.260 -20.106 1.00 52.31 H new ATOM 0 HB2 ASP A 6 7.827 -1.521 -18.023 1.00 32.50 H new ATOM 0 HB3 ASP A 6 6.898 -2.962 -17.663 1.00 32.50 H new ATOM 79 N THR A 7 4.313 -3.244 -18.367 1.00 42.54 N ATOM 80 CA THR A 7 3.292 -4.277 -18.494 1.00 22.01 C ATOM 81 C THR A 7 2.260 -3.904 -19.550 1.00 42.44 C ATOM 82 O THR A 7 2.261 -4.449 -20.654 1.00 1.04 O ATOM 83 CB THR A 7 2.574 -4.523 -17.154 1.00 53.34 C ATOM 84 OG1 THR A 7 2.167 -3.275 -16.579 1.00 45.10 O ATOM 85 CG2 THR A 7 3.479 -5.263 -16.182 1.00 32.20 C ATOM 0 H THR A 7 4.478 -2.928 -17.411 1.00 42.54 H new ATOM 0 HA THR A 7 3.803 -5.191 -18.798 1.00 22.01 H new ATOM 0 HB THR A 7 1.695 -5.138 -17.347 1.00 53.34 H new ATOM 0 HG1 THR A 7 2.944 -2.829 -16.183 1.00 45.10 H new ATOM 0 HG21 THR A 7 2.949 -5.425 -15.243 1.00 32.20 H new ATOM 0 HG22 THR A 7 3.763 -6.225 -16.609 1.00 32.20 H new ATOM 0 HG23 THR A 7 4.375 -4.670 -15.996 1.00 32.20 H new ATOM 93 N ALA A 8 1.378 -2.971 -19.207 1.00 32.11 N ATOM 94 CA ALA A 8 0.341 -2.523 -20.128 1.00 72.11 C ATOM 95 C ALA A 8 0.003 -1.053 -19.901 1.00 54.12 C ATOM 96 O ALA A 8 0.454 -0.180 -20.643 1.00 20.14 O ATOM 97 CB ALA A 8 -0.906 -3.383 -19.977 1.00 44.34 C ATOM 0 H ALA A 8 1.361 -2.510 -18.297 1.00 32.11 H new ATOM 0 HA ALA A 8 0.721 -2.629 -21.144 1.00 72.11 H new ATOM 0 HB1 ALA A 8 -1.672 -3.037 -20.671 1.00 44.34 H new ATOM 0 HB2 ALA A 8 -0.660 -4.422 -20.196 1.00 44.34 H new ATOM 0 HB3 ALA A 8 -1.280 -3.306 -18.956 1.00 44.34 H new ATOM 103 N LEU A 9 -0.795 -0.787 -18.873 1.00 15.13 N ATOM 104 CA LEU A 9 -1.195 0.578 -18.548 1.00 72.00 C ATOM 105 C LEU A 9 -0.177 1.239 -17.623 1.00 2.10 C ATOM 106 O LEU A 9 0.122 0.746 -16.536 1.00 30.04 O ATOM 107 CB LEU A 9 -2.576 0.584 -17.891 1.00 74.42 C ATOM 108 CG LEU A 9 -3.772 0.647 -18.841 1.00 42.02 C ATOM 109 CD1 LEU A 9 -3.835 2.001 -19.530 1.00 53.35 C ATOM 110 CD2 LEU A 9 -3.695 -0.474 -19.869 1.00 55.03 C ATOM 0 H LEU A 9 -1.178 -1.498 -18.250 1.00 15.13 H new ATOM 0 HA LEU A 9 -1.239 1.147 -19.476 1.00 72.00 H new ATOM 0 HB2 LEU A 9 -2.670 -0.314 -17.281 1.00 74.42 H new ATOM 0 HB3 LEU A 9 -2.630 1.437 -17.214 1.00 74.42 H new ATOM 0 HG LEU A 9 -4.683 0.517 -18.258 1.00 42.02 H new ATOM 0 HD11 LEU A 9 -4.693 2.028 -20.202 1.00 53.35 H new ATOM 0 HD12 LEU A 9 -3.937 2.786 -18.781 1.00 53.35 H new ATOM 0 HD13 LEU A 9 -2.921 2.161 -20.101 1.00 53.35 H new ATOM 0 HD21 LEU A 9 -4.554 -0.414 -20.537 1.00 55.03 H new ATOM 0 HD22 LEU A 9 -2.777 -0.374 -20.448 1.00 55.03 H new ATOM 0 HD23 LEU A 9 -3.699 -1.437 -19.358 1.00 55.03 H new ATOM 121 N PRO A 10 0.368 2.382 -18.064 1.00 52.51 N ATOM 122 CA PRO A 10 1.359 3.137 -17.291 1.00 73.30 C ATOM 123 C PRO A 10 0.753 3.788 -16.052 1.00 3.21 C ATOM 124 O PRO A 10 0.708 5.013 -15.943 1.00 1.21 O ATOM 125 CB PRO A 10 1.839 4.205 -18.276 1.00 14.34 C ATOM 126 CG PRO A 10 0.707 4.378 -19.228 1.00 3.34 C ATOM 127 CD PRO A 10 0.058 3.028 -19.352 1.00 35.23 C ATOM 0 HA PRO A 10 2.157 2.497 -16.914 1.00 73.30 H new ATOM 0 HB2 PRO A 10 2.073 5.139 -17.765 1.00 14.34 H new ATOM 0 HB3 PRO A 10 2.746 3.889 -18.792 1.00 14.34 H new ATOM 0 HG2 PRO A 10 -0.002 5.119 -18.860 1.00 3.34 H new ATOM 0 HG3 PRO A 10 1.062 4.730 -20.196 1.00 3.34 H new ATOM 0 HD2 PRO A 10 -1.017 3.112 -19.511 1.00 35.23 H new ATOM 0 HD3 PRO A 10 0.462 2.463 -20.192 1.00 35.23 H new ATOM 132 N ALA A 11 0.291 2.961 -15.121 1.00 72.05 N ATOM 133 CA ALA A 11 -0.310 3.457 -13.889 1.00 20.10 C ATOM 134 C ALA A 11 -1.399 4.484 -14.183 1.00 61.43 C ATOM 135 O ALA A 11 -1.256 5.663 -13.863 1.00 10.21 O ATOM 136 CB ALA A 11 0.757 4.060 -12.987 1.00 40.22 C ATOM 0 H ALA A 11 0.321 1.944 -15.196 1.00 72.05 H new ATOM 0 HA ALA A 11 -0.772 2.614 -13.375 1.00 20.10 H new ATOM 0 HB1 ALA A 11 0.294 4.426 -12.071 1.00 40.22 H new ATOM 0 HB2 ALA A 11 1.497 3.299 -12.740 1.00 40.22 H new ATOM 0 HB3 ALA A 11 1.245 4.887 -13.503 1.00 40.22 H new ATOM 142 N ALA A 12 -2.487 4.026 -14.794 1.00 63.30 N ATOM 143 CA ALA A 12 -3.601 4.904 -15.130 1.00 10.35 C ATOM 144 C ALA A 12 -4.523 5.104 -13.933 1.00 71.35 C ATOM 145 O ALA A 12 -5.006 6.209 -13.684 1.00 22.32 O ATOM 146 CB ALA A 12 -4.378 4.342 -16.311 1.00 3.22 C ATOM 0 H ALA A 12 -2.620 3.052 -15.066 1.00 63.30 H new ATOM 0 HA ALA A 12 -3.194 5.877 -15.407 1.00 10.35 H new ATOM 0 HB1 ALA A 12 -5.207 5.008 -16.551 1.00 3.22 H new ATOM 0 HB2 ALA A 12 -3.718 4.259 -17.174 1.00 3.22 H new ATOM 0 HB3 ALA A 12 -4.767 3.356 -16.055 1.00 3.22 H new ATOM 152 N THR A 13 -4.767 4.026 -13.194 1.00 22.31 N ATOM 153 CA THR A 13 -5.633 4.081 -12.023 1.00 61.22 C ATOM 154 C THR A 13 -5.119 5.092 -11.006 1.00 32.02 C ATOM 155 O THR A 13 -5.774 6.095 -10.727 1.00 1.32 O ATOM 156 CB THR A 13 -5.751 2.703 -11.346 1.00 63.44 C ATOM 157 OG1 THR A 13 -5.919 1.683 -12.337 1.00 31.45 O ATOM 158 CG2 THR A 13 -6.926 2.674 -10.378 1.00 4.24 C ATOM 0 H THR A 13 -4.376 3.104 -13.386 1.00 22.31 H new ATOM 0 HA THR A 13 -6.618 4.391 -12.373 1.00 61.22 H new ATOM 0 HB THR A 13 -4.834 2.518 -10.786 1.00 63.44 H new ATOM 0 HG1 THR A 13 -5.992 0.810 -11.898 1.00 31.45 H new ATOM 0 HG21 THR A 13 -6.989 1.691 -9.912 1.00 4.24 H new ATOM 0 HG22 THR A 13 -6.782 3.432 -9.608 1.00 4.24 H new ATOM 0 HG23 THR A 13 -7.849 2.879 -10.920 1.00 4.24 H new ATOM 166 N GLY A 14 -3.940 4.822 -10.454 1.00 11.22 N ATOM 167 CA GLY A 14 -3.357 5.719 -9.473 1.00 53.14 C ATOM 168 C GLY A 14 -3.063 5.027 -8.157 1.00 11.44 C ATOM 169 O GLY A 14 -2.182 4.171 -8.082 1.00 35.22 O ATOM 0 H GLY A 14 -3.378 3.998 -10.669 1.00 11.22 H new ATOM 0 HA2 GLY A 14 -2.434 6.139 -9.873 1.00 53.14 H new ATOM 0 HA3 GLY A 14 -4.037 6.552 -9.298 1.00 53.14 H new ATOM 173 N ALA A 15 -3.801 5.399 -7.116 1.00 11.33 N ATOM 174 CA ALA A 15 -3.616 4.808 -5.797 1.00 31.13 C ATOM 175 C ALA A 15 -3.825 3.299 -5.837 1.00 63.42 C ATOM 176 O ALA A 15 -3.063 2.539 -5.238 1.00 34.31 O ATOM 177 CB ALA A 15 -4.563 5.448 -4.794 1.00 72.21 C ATOM 0 H ALA A 15 -4.533 6.108 -7.161 1.00 11.33 H new ATOM 0 HA ALA A 15 -2.590 4.997 -5.482 1.00 31.13 H new ATOM 0 HB1 ALA A 15 -4.414 4.997 -3.813 1.00 72.21 H new ATOM 0 HB2 ALA A 15 -4.362 6.518 -4.735 1.00 72.21 H new ATOM 0 HB3 ALA A 15 -5.593 5.289 -5.113 1.00 72.21 H new ATOM 183 N LEU A 16 -4.863 2.870 -6.547 1.00 62.54 N ATOM 184 CA LEU A 16 -5.174 1.448 -6.665 1.00 20.14 C ATOM 185 C LEU A 16 -3.994 0.680 -7.251 1.00 11.23 C ATOM 186 O LEU A 16 -3.607 -0.368 -6.736 1.00 25.40 O ATOM 187 CB LEU A 16 -6.412 1.248 -7.540 1.00 50.15 C ATOM 188 CG LEU A 16 -7.430 0.225 -7.038 1.00 71.40 C ATOM 189 CD1 LEU A 16 -6.835 -1.175 -7.059 1.00 40.22 C ATOM 190 CD2 LEU A 16 -7.901 0.584 -5.636 1.00 62.02 C ATOM 0 H LEU A 16 -5.503 3.485 -7.049 1.00 62.54 H new ATOM 0 HA LEU A 16 -5.376 1.061 -5.666 1.00 20.14 H new ATOM 0 HB2 LEU A 16 -6.915 2.209 -7.648 1.00 50.15 H new ATOM 0 HB3 LEU A 16 -6.084 0.947 -8.535 1.00 50.15 H new ATOM 0 HG LEU A 16 -8.292 0.242 -7.705 1.00 71.40 H new ATOM 0 HD11 LEU A 16 -7.574 -1.890 -6.698 1.00 40.22 H new ATOM 0 HD12 LEU A 16 -6.548 -1.433 -8.078 1.00 40.22 H new ATOM 0 HD13 LEU A 16 -5.956 -1.206 -6.415 1.00 40.22 H new ATOM 0 HD21 LEU A 16 -8.625 -0.156 -5.295 1.00 62.02 H new ATOM 0 HD22 LEU A 16 -7.048 0.596 -4.958 1.00 62.02 H new ATOM 0 HD23 LEU A 16 -8.367 1.569 -5.650 1.00 62.02 H new ATOM 201 N GLU A 17 -3.425 1.211 -8.329 1.00 61.41 N ATOM 202 CA GLU A 17 -2.288 0.575 -8.983 1.00 22.31 C ATOM 203 C GLU A 17 -1.026 0.707 -8.133 1.00 44.22 C ATOM 204 O GLU A 17 -0.169 -0.177 -8.134 1.00 0.15 O ATOM 205 CB GLU A 17 -2.053 1.193 -10.364 1.00 33.20 C ATOM 206 CG GLU A 17 -0.752 1.969 -10.469 1.00 4.34 C ATOM 207 CD GLU A 17 0.460 1.064 -10.586 1.00 41.34 C ATOM 208 OE1 GLU A 17 0.295 -0.097 -11.016 1.00 12.44 O ATOM 209 OE2 GLU A 17 1.573 1.518 -10.247 1.00 61.32 O ATOM 0 H GLU A 17 -3.733 2.079 -8.767 1.00 61.41 H new ATOM 0 HA GLU A 17 -2.516 -0.484 -9.101 1.00 22.31 H new ATOM 0 HB2 GLU A 17 -2.055 0.401 -11.113 1.00 33.20 H new ATOM 0 HB3 GLU A 17 -2.883 1.858 -10.601 1.00 33.20 H new ATOM 0 HG2 GLU A 17 -0.795 2.627 -11.337 1.00 4.34 H new ATOM 0 HG3 GLU A 17 -0.642 2.606 -9.592 1.00 4.34 H new ATOM 214 N LEU A 18 -0.921 1.818 -7.411 1.00 63.54 N ATOM 215 CA LEU A 18 0.234 2.067 -6.557 1.00 11.32 C ATOM 216 C LEU A 18 0.369 0.984 -5.492 1.00 21.21 C ATOM 217 O LEU A 18 1.423 0.363 -5.352 1.00 33.20 O ATOM 218 CB LEU A 18 0.115 3.440 -5.893 1.00 73.33 C ATOM 219 CG LEU A 18 1.432 4.135 -5.547 1.00 51.41 C ATOM 220 CD1 LEU A 18 1.273 5.646 -5.623 1.00 40.44 C ATOM 221 CD2 LEU A 18 1.909 3.717 -4.165 1.00 21.13 C ATOM 0 H LEU A 18 -1.621 2.559 -7.400 1.00 63.54 H new ATOM 0 HA LEU A 18 1.127 2.048 -7.182 1.00 11.32 H new ATOM 0 HB2 LEU A 18 -0.454 4.093 -6.554 1.00 73.33 H new ATOM 0 HB3 LEU A 18 -0.466 3.329 -4.977 1.00 73.33 H new ATOM 0 HG LEU A 18 2.183 3.831 -6.276 1.00 51.41 H new ATOM 0 HD11 LEU A 18 2.220 6.125 -5.374 1.00 40.44 H new ATOM 0 HD12 LEU A 18 0.977 5.930 -6.633 1.00 40.44 H new ATOM 0 HD13 LEU A 18 0.507 5.967 -4.917 1.00 40.44 H new ATOM 0 HD21 LEU A 18 2.848 4.222 -3.936 1.00 21.13 H new ATOM 0 HD22 LEU A 18 1.159 3.991 -3.423 1.00 21.13 H new ATOM 0 HD23 LEU A 18 2.063 2.638 -4.144 1.00 21.13 H new ATOM 232 N VAL A 19 -0.707 0.760 -4.744 1.00 21.42 N ATOM 233 CA VAL A 19 -0.710 -0.252 -3.694 1.00 53.10 C ATOM 234 C VAL A 19 -0.448 -1.640 -4.266 1.00 13.41 C ATOM 235 O VAL A 19 0.451 -2.348 -3.816 1.00 23.34 O ATOM 236 CB VAL A 19 -2.050 -0.266 -2.933 1.00 43.42 C ATOM 237 CG1 VAL A 19 -2.263 -1.610 -2.253 1.00 2.33 C ATOM 238 CG2 VAL A 19 -2.099 0.867 -1.919 1.00 4.42 C ATOM 0 H VAL A 19 -1.587 1.265 -4.846 1.00 21.42 H new ATOM 0 HA VAL A 19 0.091 0.008 -3.002 1.00 53.10 H new ATOM 0 HB VAL A 19 -2.857 -0.116 -3.650 1.00 43.42 H new ATOM 0 HG11 VAL A 19 -3.214 -1.602 -1.720 1.00 2.33 H new ATOM 0 HG12 VAL A 19 -2.275 -2.400 -3.004 1.00 2.33 H new ATOM 0 HG13 VAL A 19 -1.453 -1.793 -1.547 1.00 2.33 H new ATOM 0 HG21 VAL A 19 -3.052 0.842 -1.391 1.00 4.42 H new ATOM 0 HG22 VAL A 19 -1.285 0.751 -1.204 1.00 4.42 H new ATOM 0 HG23 VAL A 19 -1.995 1.822 -2.435 1.00 4.42 H new ATOM 248 N ARG A 20 -1.241 -2.022 -5.262 1.00 5.35 N ATOM 249 CA ARG A 20 -1.096 -3.326 -5.897 1.00 23.44 C ATOM 250 C ARG A 20 0.317 -3.510 -6.445 1.00 34.33 C ATOM 251 O ARG A 20 0.886 -4.600 -6.370 1.00 25.05 O ATOM 252 CB ARG A 20 -2.115 -3.486 -7.026 1.00 75.02 C ATOM 253 CG ARG A 20 -3.497 -3.895 -6.543 1.00 42.23 C ATOM 254 CD ARG A 20 -4.586 -3.391 -7.479 1.00 70.43 C ATOM 255 NE ARG A 20 -4.458 -3.955 -8.820 1.00 3.30 N ATOM 256 CZ ARG A 20 -4.896 -5.163 -9.155 1.00 31.44 C ATOM 257 NH1 ARG A 20 -5.486 -5.932 -8.250 1.00 4.44 N ATOM 258 NH2 ARG A 20 -4.743 -5.605 -10.396 1.00 20.22 N ATOM 0 H ARG A 20 -1.990 -1.447 -5.646 1.00 5.35 H new ATOM 0 HA ARG A 20 -1.278 -4.090 -5.142 1.00 23.44 H new ATOM 0 HB2 ARG A 20 -2.193 -2.545 -7.570 1.00 75.02 H new ATOM 0 HB3 ARG A 20 -1.750 -4.233 -7.731 1.00 75.02 H new ATOM 0 HG2 ARG A 20 -3.552 -4.981 -6.471 1.00 42.23 H new ATOM 0 HG3 ARG A 20 -3.665 -3.500 -5.541 1.00 42.23 H new ATOM 0 HD2 ARG A 20 -5.563 -3.647 -7.070 1.00 70.43 H new ATOM 0 HD3 ARG A 20 -4.540 -2.304 -7.537 1.00 70.43 H new ATOM 0 HE ARG A 20 -4.007 -3.390 -9.539 1.00 3.30 H new ATOM 0 HH11 ARG A 20 -5.604 -5.596 -7.294 1.00 4.44 H new ATOM 0 HH12 ARG A 20 -5.822 -6.860 -8.510 1.00 4.44 H new ATOM 0 HH21 ARG A 20 -4.288 -5.017 -11.094 1.00 20.22 H new ATOM 0 HH22 ARG A 20 -5.080 -6.533 -10.652 1.00 20.22 H new ATOM 269 N HIS A 21 0.878 -2.438 -6.994 1.00 52.15 N ATOM 270 CA HIS A 21 2.223 -2.480 -7.555 1.00 32.45 C ATOM 271 C HIS A 21 3.263 -2.685 -6.456 1.00 51.21 C ATOM 272 O HIS A 21 4.075 -3.610 -6.520 1.00 40.22 O ATOM 273 CB HIS A 21 2.521 -1.191 -8.320 1.00 45.43 C ATOM 274 CG HIS A 21 3.830 -1.215 -9.047 1.00 52.30 C ATOM 275 ND1 HIS A 21 4.385 -2.367 -9.560 1.00 32.41 N ATOM 276 CD2 HIS A 21 4.694 -0.217 -9.348 1.00 2.35 C ATOM 277 CE1 HIS A 21 5.535 -2.079 -10.143 1.00 13.30 C ATOM 278 NE2 HIS A 21 5.745 -0.780 -10.029 1.00 15.14 N ATOM 0 H HIS A 21 0.421 -1.528 -7.062 1.00 52.15 H new ATOM 0 HA HIS A 21 2.276 -3.323 -8.245 1.00 32.45 H new ATOM 0 HB2 HIS A 21 1.720 -1.010 -9.037 1.00 45.43 H new ATOM 0 HB3 HIS A 21 2.518 -0.355 -7.621 1.00 45.43 H new ATOM 0 HD2 HIS A 21 4.578 0.827 -9.099 1.00 2.35 H new ATOM 0 HE1 HIS A 21 6.191 -2.785 -10.630 1.00 13.30 H new ATOM 0 HE2 HIS A 21 6.556 -0.277 -10.388 1.00 15.14 H new ATOM 285 N LEU A 22 3.232 -1.817 -5.451 1.00 34.43 N ATOM 286 CA LEU A 22 4.172 -1.903 -4.338 1.00 5.23 C ATOM 287 C LEU A 22 4.086 -3.263 -3.655 1.00 55.15 C ATOM 288 O LEU A 22 5.101 -3.848 -3.279 1.00 3.33 O ATOM 289 CB LEU A 22 3.896 -0.791 -3.325 1.00 63.31 C ATOM 290 CG LEU A 22 4.190 0.634 -3.794 1.00 4.13 C ATOM 291 CD1 LEU A 22 3.933 1.630 -2.673 1.00 63.15 C ATOM 292 CD2 LEU A 22 5.626 0.746 -4.289 1.00 44.45 C ATOM 0 H LEU A 22 2.567 -1.046 -5.383 1.00 34.43 H new ATOM 0 HA LEU A 22 5.180 -1.782 -4.736 1.00 5.23 H new ATOM 0 HB2 LEU A 22 2.848 -0.846 -3.032 1.00 63.31 H new ATOM 0 HB3 LEU A 22 4.488 -0.987 -2.431 1.00 63.31 H new ATOM 0 HG LEU A 22 3.520 0.869 -4.621 1.00 4.13 H new ATOM 0 HD11 LEU A 22 4.148 2.639 -3.026 1.00 63.15 H new ATOM 0 HD12 LEU A 22 2.890 1.568 -2.364 1.00 63.15 H new ATOM 0 HD13 LEU A 22 4.577 1.398 -1.825 1.00 63.15 H new ATOM 0 HD21 LEU A 22 5.818 1.767 -4.619 1.00 44.45 H new ATOM 0 HD22 LEU A 22 6.311 0.491 -3.480 1.00 44.45 H new ATOM 0 HD23 LEU A 22 5.778 0.060 -5.123 1.00 44.45 H new ATOM 303 N VAL A 23 2.864 -3.764 -3.498 1.00 50.54 N ATOM 304 CA VAL A 23 2.643 -5.058 -2.863 1.00 1.45 C ATOM 305 C VAL A 23 3.087 -6.199 -3.772 1.00 14.01 C ATOM 306 O VAL A 23 3.805 -7.102 -3.344 1.00 62.21 O ATOM 307 CB VAL A 23 1.161 -5.257 -2.495 1.00 35.11 C ATOM 308 CG1 VAL A 23 0.950 -6.617 -1.846 1.00 14.35 C ATOM 309 CG2 VAL A 23 0.686 -4.139 -1.577 1.00 61.42 C ATOM 0 H VAL A 23 2.012 -3.293 -3.802 1.00 50.54 H new ATOM 0 HA VAL A 23 3.241 -5.069 -1.952 1.00 1.45 H new ATOM 0 HB VAL A 23 0.569 -5.222 -3.410 1.00 35.11 H new ATOM 0 HG11 VAL A 23 -0.103 -6.740 -1.593 1.00 14.35 H new ATOM 0 HG12 VAL A 23 1.250 -7.402 -2.540 1.00 14.35 H new ATOM 0 HG13 VAL A 23 1.551 -6.685 -0.939 1.00 14.35 H new ATOM 0 HG21 VAL A 23 -0.363 -4.295 -1.327 1.00 61.42 H new ATOM 0 HG22 VAL A 23 1.281 -4.141 -0.664 1.00 61.42 H new ATOM 0 HG23 VAL A 23 0.800 -3.180 -2.083 1.00 61.42 H new ATOM 319 N ALA A 24 2.655 -6.151 -5.028 1.00 15.21 N ATOM 320 CA ALA A 24 3.010 -7.179 -5.997 1.00 44.34 C ATOM 321 C ALA A 24 4.523 -7.337 -6.101 1.00 2.54 C ATOM 322 O ALA A 24 5.044 -8.451 -6.056 1.00 14.34 O ATOM 323 CB ALA A 24 2.418 -6.847 -7.359 1.00 53.54 C ATOM 0 H ALA A 24 2.059 -5.411 -5.398 1.00 15.21 H new ATOM 0 HA ALA A 24 2.595 -8.126 -5.653 1.00 44.34 H new ATOM 0 HB1 ALA A 24 2.691 -7.623 -8.074 1.00 53.54 H new ATOM 0 HB2 ALA A 24 1.332 -6.792 -7.280 1.00 53.54 H new ATOM 0 HB3 ALA A 24 2.806 -5.887 -7.700 1.00 53.54 H new ATOM 329 N GLU A 25 5.222 -6.214 -6.242 1.00 21.14 N ATOM 330 CA GLU A 25 6.676 -6.230 -6.355 1.00 60.23 C ATOM 331 C GLU A 25 7.315 -6.751 -5.071 1.00 60.12 C ATOM 332 O GLU A 25 8.431 -7.271 -5.087 1.00 64.33 O ATOM 333 CB GLU A 25 7.201 -4.827 -6.665 1.00 44.34 C ATOM 334 CG GLU A 25 6.681 -4.259 -7.975 1.00 3.11 C ATOM 335 CD GLU A 25 7.790 -3.734 -8.866 1.00 33.34 C ATOM 336 OE1 GLU A 25 8.372 -4.538 -9.624 1.00 34.42 O ATOM 337 OE2 GLU A 25 8.078 -2.520 -8.803 1.00 1.01 O ATOM 0 H GLU A 25 4.805 -5.284 -6.281 1.00 21.14 H new ATOM 0 HA GLU A 25 6.944 -6.899 -7.172 1.00 60.23 H new ATOM 0 HB2 GLU A 25 6.923 -4.156 -5.852 1.00 44.34 H new ATOM 0 HB3 GLU A 25 8.290 -4.855 -6.697 1.00 44.34 H new ATOM 0 HG2 GLU A 25 6.128 -5.033 -8.508 1.00 3.11 H new ATOM 0 HG3 GLU A 25 5.978 -3.453 -7.763 1.00 3.11 H new ATOM 342 N ARG A 26 6.600 -6.607 -3.960 1.00 15.21 N ATOM 343 CA ARG A 26 7.097 -7.061 -2.667 1.00 23.14 C ATOM 344 C ARG A 26 6.960 -8.575 -2.533 1.00 1.11 C ATOM 345 O ARG A 26 7.698 -9.210 -1.780 1.00 23.01 O ATOM 346 CB ARG A 26 6.340 -6.367 -1.533 1.00 30.24 C ATOM 347 CG ARG A 26 6.899 -5.000 -1.175 1.00 52.10 C ATOM 348 CD ARG A 26 7.778 -5.064 0.064 1.00 24.32 C ATOM 349 NE ARG A 26 9.169 -5.364 -0.267 1.00 53.43 N ATOM 350 CZ ARG A 26 10.089 -5.677 0.638 1.00 74.43 C ATOM 351 NH1 ARG A 26 9.767 -5.734 1.923 1.00 34.21 N ATOM 352 NH2 ARG A 26 11.334 -5.936 0.259 1.00 73.42 N ATOM 0 H ARG A 26 5.674 -6.179 -3.930 1.00 15.21 H new ATOM 0 HA ARG A 26 8.154 -6.802 -2.601 1.00 23.14 H new ATOM 0 HB2 ARG A 26 5.294 -6.259 -1.819 1.00 30.24 H new ATOM 0 HB3 ARG A 26 6.365 -7.003 -0.648 1.00 30.24 H new ATOM 0 HG2 ARG A 26 7.478 -4.612 -2.013 1.00 52.10 H new ATOM 0 HG3 ARG A 26 6.078 -4.303 -1.004 1.00 52.10 H new ATOM 0 HD2 ARG A 26 7.728 -4.112 0.593 1.00 24.32 H new ATOM 0 HD3 ARG A 26 7.394 -5.826 0.742 1.00 24.32 H new ATOM 0 HE ARG A 26 9.449 -5.331 -1.247 1.00 53.43 H new ATOM 0 HH11 ARG A 26 8.811 -5.537 2.218 1.00 34.21 H new ATOM 0 HH12 ARG A 26 10.476 -5.975 2.616 1.00 34.21 H new ATOM 0 HH21 ARG A 26 11.585 -5.895 -0.729 1.00 73.42 H new ATOM 0 HH22 ARG A 26 12.040 -6.176 0.955 1.00 73.42 H new ATOM 363 N ALA A 27 6.010 -9.145 -3.267 1.00 31.33 N ATOM 364 CA ALA A 27 5.778 -10.584 -3.231 1.00 11.43 C ATOM 365 C ALA A 27 6.592 -11.298 -4.305 1.00 14.02 C ATOM 366 O ALA A 27 6.383 -12.481 -4.569 1.00 44.13 O ATOM 367 CB ALA A 27 4.297 -10.883 -3.403 1.00 52.43 C ATOM 0 H ALA A 27 5.389 -8.633 -3.893 1.00 31.33 H new ATOM 0 HA ALA A 27 6.102 -10.956 -2.259 1.00 11.43 H new ATOM 0 HB1 ALA A 27 4.138 -11.961 -3.374 1.00 52.43 H new ATOM 0 HB2 ALA A 27 3.735 -10.411 -2.597 1.00 52.43 H new ATOM 0 HB3 ALA A 27 3.956 -10.491 -4.361 1.00 52.43 H new ATOM 373 N GLU A 28 7.520 -10.571 -4.919 1.00 14.02 N ATOM 374 CA GLU A 28 8.364 -11.138 -5.965 1.00 12.33 C ATOM 375 C GLU A 28 7.532 -11.531 -7.182 1.00 60.14 C ATOM 376 O GLU A 28 7.774 -12.566 -7.806 1.00 55.13 O ATOM 377 CB GLU A 28 9.123 -12.356 -5.435 1.00 52.45 C ATOM 378 CG GLU A 28 10.487 -12.549 -6.075 1.00 71.02 C ATOM 379 CD GLU A 28 11.626 -12.219 -5.130 1.00 62.31 C ATOM 380 OE1 GLU A 28 11.792 -12.941 -4.125 1.00 72.23 O ATOM 381 OE2 GLU A 28 12.352 -11.238 -5.397 1.00 72.44 O ATOM 0 H GLU A 28 7.706 -9.590 -4.711 1.00 14.02 H new ATOM 0 HA GLU A 28 9.082 -10.377 -6.269 1.00 12.33 H new ATOM 0 HB2 GLU A 28 9.248 -12.255 -4.357 1.00 52.45 H new ATOM 0 HB3 GLU A 28 8.522 -13.250 -5.604 1.00 52.45 H new ATOM 0 HG2 GLU A 28 10.585 -13.582 -6.409 1.00 71.02 H new ATOM 0 HG3 GLU A 28 10.561 -11.919 -6.961 1.00 71.02 H new ATOM 386 N LEU A 29 6.551 -10.699 -7.514 1.00 72.34 N ATOM 387 CA LEU A 29 5.681 -10.960 -8.657 1.00 74.11 C ATOM 388 C LEU A 29 5.241 -9.656 -9.314 1.00 52.44 C ATOM 389 O LEU A 29 5.276 -8.584 -8.709 1.00 1.14 O ATOM 390 CB LEU A 29 4.455 -11.762 -8.217 1.00 73.34 C ATOM 391 CG LEU A 29 4.631 -13.280 -8.161 1.00 15.22 C ATOM 392 CD1 LEU A 29 4.062 -13.836 -6.864 1.00 53.21 C ATOM 393 CD2 LEU A 29 3.968 -13.938 -9.361 1.00 65.05 C ATOM 0 H LEU A 29 6.338 -9.839 -7.009 1.00 72.34 H new ATOM 0 HA LEU A 29 6.245 -11.541 -9.387 1.00 74.11 H new ATOM 0 HB2 LEU A 29 4.154 -11.414 -7.229 1.00 73.34 H new ATOM 0 HB3 LEU A 29 3.634 -11.536 -8.898 1.00 73.34 H new ATOM 0 HG LEU A 29 5.697 -13.504 -8.192 1.00 15.22 H new ATOM 0 HD11 LEU A 29 4.196 -14.917 -6.842 1.00 53.21 H new ATOM 0 HD12 LEU A 29 4.582 -13.388 -6.017 1.00 53.21 H new ATOM 0 HD13 LEU A 29 2.999 -13.601 -6.803 1.00 53.21 H new ATOM 0 HD21 LEU A 29 4.103 -15.018 -9.305 1.00 65.05 H new ATOM 0 HD22 LEU A 29 2.903 -13.705 -9.361 1.00 65.05 H new ATOM 0 HD23 LEU A 29 4.422 -13.563 -10.278 1.00 65.05 H new ATOM 404 N PRO A 30 4.813 -9.747 -10.582 1.00 22.03 N ATOM 405 CA PRO A 30 4.356 -8.585 -11.349 1.00 70.23 C ATOM 406 C PRO A 30 3.026 -8.040 -10.837 1.00 31.11 C ATOM 407 O PRO A 30 2.248 -8.761 -10.212 1.00 22.30 O ATOM 408 CB PRO A 30 4.197 -9.136 -12.768 1.00 14.42 C ATOM 409 CG PRO A 30 3.958 -10.594 -12.583 1.00 21.44 C ATOM 410 CD PRO A 30 4.745 -10.992 -11.365 1.00 4.11 C ATOM 0 HA PRO A 30 5.053 -7.750 -11.277 1.00 70.23 H new ATOM 0 HB2 PRO A 30 3.364 -8.661 -13.286 1.00 14.42 H new ATOM 0 HB3 PRO A 30 5.090 -8.954 -13.366 1.00 14.42 H new ATOM 0 HG2 PRO A 30 2.897 -10.801 -12.447 1.00 21.44 H new ATOM 0 HG3 PRO A 30 4.283 -11.157 -13.458 1.00 21.44 H new ATOM 0 HD2 PRO A 30 4.251 -11.789 -10.810 1.00 4.11 H new ATOM 0 HD3 PRO A 30 5.738 -11.356 -11.629 1.00 4.11 H new ATOM 415 N VAL A 31 2.772 -6.764 -11.107 1.00 41.45 N ATOM 416 CA VAL A 31 1.535 -6.124 -10.675 1.00 1.53 C ATOM 417 C VAL A 31 0.355 -6.576 -11.527 1.00 43.22 C ATOM 418 O VAL A 31 -0.794 -6.237 -11.245 1.00 12.41 O ATOM 419 CB VAL A 31 1.644 -4.588 -10.744 1.00 32.43 C ATOM 420 CG1 VAL A 31 1.868 -4.133 -12.177 1.00 5.14 C ATOM 421 CG2 VAL A 31 0.400 -3.940 -10.157 1.00 13.54 C ATOM 0 H VAL A 31 3.406 -6.153 -11.622 1.00 41.45 H new ATOM 0 HA VAL A 31 1.369 -6.424 -9.640 1.00 1.53 H new ATOM 0 HB VAL A 31 2.503 -4.274 -10.151 1.00 32.43 H new ATOM 0 HG11 VAL A 31 1.942 -3.046 -12.206 1.00 5.14 H new ATOM 0 HG12 VAL A 31 2.791 -4.570 -12.558 1.00 5.14 H new ATOM 0 HG13 VAL A 31 1.031 -4.456 -12.796 1.00 5.14 H new ATOM 0 HG21 VAL A 31 0.493 -2.855 -10.214 1.00 13.54 H new ATOM 0 HG22 VAL A 31 -0.477 -4.259 -10.721 1.00 13.54 H new ATOM 0 HG23 VAL A 31 0.290 -4.241 -9.115 1.00 13.54 H new ATOM 431 N GLU A 32 0.646 -7.346 -12.571 1.00 22.34 N ATOM 432 CA GLU A 32 -0.392 -7.846 -13.465 1.00 53.34 C ATOM 433 C GLU A 32 -1.072 -9.078 -12.874 1.00 2.31 C ATOM 434 O GLU A 32 -2.215 -9.390 -13.207 1.00 64.24 O ATOM 435 CB GLU A 32 0.201 -8.184 -14.833 1.00 25.32 C ATOM 436 CG GLU A 32 1.324 -9.206 -14.774 1.00 63.21 C ATOM 437 CD GLU A 32 0.965 -10.508 -15.464 1.00 33.02 C ATOM 438 OE1 GLU A 32 -0.217 -10.906 -15.402 1.00 41.12 O ATOM 439 OE2 GLU A 32 1.867 -11.130 -16.064 1.00 51.10 O ATOM 0 H GLU A 32 1.592 -7.637 -12.818 1.00 22.34 H new ATOM 0 HA GLU A 32 -1.140 -7.062 -13.586 1.00 53.34 H new ATOM 0 HB2 GLU A 32 -0.591 -8.563 -15.479 1.00 25.32 H new ATOM 0 HB3 GLU A 32 0.577 -7.270 -15.293 1.00 25.32 H new ATOM 0 HG2 GLU A 32 2.216 -8.787 -15.239 1.00 63.21 H new ATOM 0 HG3 GLU A 32 1.572 -9.408 -13.732 1.00 63.21 H new ATOM 444 N VAL A 33 -0.359 -9.776 -11.996 1.00 13.13 N ATOM 445 CA VAL A 33 -0.891 -10.974 -11.357 1.00 51.13 C ATOM 446 C VAL A 33 -1.560 -10.638 -10.029 1.00 31.33 C ATOM 447 O VAL A 33 -2.261 -11.466 -9.447 1.00 64.13 O ATOM 448 CB VAL A 33 0.213 -12.019 -11.115 1.00 33.43 C ATOM 449 CG1 VAL A 33 0.890 -12.394 -12.423 1.00 64.31 C ATOM 450 CG2 VAL A 33 1.229 -11.496 -10.111 1.00 33.54 C ATOM 0 H VAL A 33 0.589 -9.532 -11.711 1.00 13.13 H new ATOM 0 HA VAL A 33 -1.633 -11.393 -12.037 1.00 51.13 H new ATOM 0 HB VAL A 33 -0.245 -12.917 -10.701 1.00 33.43 H new ATOM 0 HG11 VAL A 33 1.667 -13.134 -12.231 1.00 64.31 H new ATOM 0 HG12 VAL A 33 0.152 -12.812 -13.108 1.00 64.31 H new ATOM 0 HG13 VAL A 33 1.337 -11.506 -12.869 1.00 64.31 H new ATOM 0 HG21 VAL A 33 2.003 -12.247 -9.951 1.00 33.54 H new ATOM 0 HG22 VAL A 33 1.684 -10.583 -10.495 1.00 33.54 H new ATOM 0 HG23 VAL A 33 0.730 -11.283 -9.166 1.00 33.54 H new ATOM 460 N LEU A 34 -1.337 -9.418 -9.553 1.00 34.21 N ATOM 461 CA LEU A 34 -1.918 -8.971 -8.292 1.00 33.15 C ATOM 462 C LEU A 34 -3.427 -8.789 -8.421 1.00 72.54 C ATOM 463 O LEU A 34 -3.900 -8.010 -9.249 1.00 5.04 O ATOM 464 CB LEU A 34 -1.271 -7.658 -7.847 1.00 75.22 C ATOM 465 CG LEU A 34 -0.872 -7.572 -6.373 1.00 31.02 C ATOM 466 CD1 LEU A 34 -2.107 -7.496 -5.489 1.00 40.55 C ATOM 467 CD2 LEU A 34 -0.008 -8.763 -5.984 1.00 53.41 C ATOM 0 H LEU A 34 -0.758 -8.721 -10.021 1.00 34.21 H new ATOM 0 HA LEU A 34 -1.726 -9.737 -7.541 1.00 33.15 H new ATOM 0 HB2 LEU A 34 -0.381 -7.491 -8.454 1.00 75.22 H new ATOM 0 HB3 LEU A 34 -1.962 -6.844 -8.064 1.00 75.22 H new ATOM 0 HG LEU A 34 -0.289 -6.662 -6.227 1.00 31.02 H new ATOM 0 HD11 LEU A 34 -1.803 -7.435 -4.444 1.00 40.55 H new ATOM 0 HD12 LEU A 34 -2.687 -6.611 -5.750 1.00 40.55 H new ATOM 0 HD13 LEU A 34 -2.717 -8.387 -5.638 1.00 40.55 H new ATOM 0 HD21 LEU A 34 0.267 -8.685 -4.932 1.00 53.41 H new ATOM 0 HD22 LEU A 34 -0.566 -9.685 -6.146 1.00 53.41 H new ATOM 0 HD23 LEU A 34 0.895 -8.773 -6.595 1.00 53.41 H new ATOM 478 N ARG A 35 -4.178 -9.512 -7.596 1.00 32.53 N ATOM 479 CA ARG A 35 -5.633 -9.430 -7.617 1.00 12.22 C ATOM 480 C ARG A 35 -6.143 -8.524 -6.501 1.00 55.12 C ATOM 481 O ARG A 35 -5.459 -8.311 -5.499 1.00 52.21 O ATOM 482 CB ARG A 35 -6.246 -10.824 -7.478 1.00 30.51 C ATOM 483 CG ARG A 35 -7.203 -11.184 -8.602 1.00 60.31 C ATOM 484 CD ARG A 35 -6.466 -11.778 -9.792 1.00 62.42 C ATOM 485 NE ARG A 35 -6.148 -13.190 -9.590 1.00 13.33 N ATOM 486 CZ ARG A 35 -5.604 -13.962 -10.524 1.00 3.41 C ATOM 487 NH1 ARG A 35 -5.319 -13.461 -11.720 1.00 54.13 N ATOM 488 NH2 ARG A 35 -5.344 -15.236 -10.265 1.00 44.13 N ATOM 0 H ARG A 35 -3.802 -10.161 -6.905 1.00 32.53 H new ATOM 0 HA ARG A 35 -5.934 -9.003 -8.574 1.00 12.22 H new ATOM 0 HB2 ARG A 35 -5.445 -11.562 -7.444 1.00 30.51 H new ATOM 0 HB3 ARG A 35 -6.776 -10.885 -6.528 1.00 30.51 H new ATOM 0 HG2 ARG A 35 -7.942 -11.897 -8.237 1.00 60.31 H new ATOM 0 HG3 ARG A 35 -7.747 -10.294 -8.917 1.00 60.31 H new ATOM 0 HD2 ARG A 35 -7.077 -11.669 -10.688 1.00 62.42 H new ATOM 0 HD3 ARG A 35 -5.545 -11.220 -9.964 1.00 62.42 H new ATOM 0 HE ARG A 35 -6.355 -13.606 -8.682 1.00 13.33 H new ATOM 0 HH11 ARG A 35 -5.518 -12.481 -11.923 1.00 54.13 H new ATOM 0 HH12 ARG A 35 -4.901 -14.056 -12.436 1.00 54.13 H new ATOM 0 HH21 ARG A 35 -5.562 -15.625 -9.347 1.00 44.13 H new ATOM 0 HH22 ARG A 35 -4.926 -15.828 -10.983 1.00 44.13 H new ATOM 499 N ASP A 36 -7.348 -7.994 -6.680 1.00 31.42 N ATOM 500 CA ASP A 36 -7.950 -7.112 -5.687 1.00 1.31 C ATOM 501 C ASP A 36 -8.382 -7.897 -4.452 1.00 44.12 C ATOM 502 O ASP A 36 -8.651 -7.319 -3.399 1.00 22.11 O ATOM 503 CB ASP A 36 -9.152 -6.379 -6.287 1.00 33.42 C ATOM 504 CG ASP A 36 -8.781 -5.565 -7.511 1.00 74.13 C ATOM 505 OD1 ASP A 36 -8.604 -6.166 -8.591 1.00 2.10 O ATOM 506 OD2 ASP A 36 -8.668 -4.327 -7.388 1.00 45.05 O ATOM 0 H ASP A 36 -7.927 -8.160 -7.503 1.00 31.42 H new ATOM 0 HA ASP A 36 -7.201 -6.380 -5.386 1.00 1.31 H new ATOM 0 HB2 ASP A 36 -9.919 -7.105 -6.556 1.00 33.42 H new ATOM 0 HB3 ASP A 36 -9.585 -5.721 -5.534 1.00 33.42 H new ATOM 510 N ASP A 37 -8.448 -9.216 -4.590 1.00 24.55 N ATOM 511 CA ASP A 37 -8.847 -10.082 -3.486 1.00 23.13 C ATOM 512 C ASP A 37 -7.655 -10.873 -2.957 1.00 71.42 C ATOM 513 O ASP A 37 -7.822 -11.877 -2.265 1.00 35.53 O ATOM 514 CB ASP A 37 -9.952 -11.039 -3.935 1.00 73.44 C ATOM 515 CG ASP A 37 -11.050 -10.335 -4.706 1.00 1.33 C ATOM 516 OD1 ASP A 37 -11.944 -9.746 -4.063 1.00 31.53 O ATOM 517 OD2 ASP A 37 -11.016 -10.373 -5.954 1.00 4.41 O ATOM 0 H ASP A 37 -8.230 -9.710 -5.456 1.00 24.55 H new ATOM 0 HA ASP A 37 -9.227 -9.452 -2.682 1.00 23.13 H new ATOM 0 HB2 ASP A 37 -9.519 -11.822 -4.558 1.00 73.44 H new ATOM 0 HB3 ASP A 37 -10.382 -11.528 -3.061 1.00 73.44 H new ATOM 521 N SER A 38 -6.452 -10.415 -3.289 1.00 41.32 N ATOM 522 CA SER A 38 -5.232 -11.082 -2.852 1.00 23.21 C ATOM 523 C SER A 38 -4.820 -10.607 -1.462 1.00 43.15 C ATOM 524 O SER A 38 -4.135 -9.594 -1.318 1.00 43.23 O ATOM 525 CB SER A 38 -4.099 -10.825 -3.848 1.00 51.22 C ATOM 526 OG SER A 38 -4.600 -10.695 -5.167 1.00 62.22 O ATOM 0 H SER A 38 -6.297 -9.584 -3.860 1.00 41.32 H new ATOM 0 HA SER A 38 -5.430 -12.153 -2.807 1.00 23.21 H new ATOM 0 HB2 SER A 38 -3.563 -9.918 -3.568 1.00 51.22 H new ATOM 0 HB3 SER A 38 -3.382 -11.645 -3.807 1.00 51.22 H new ATOM 0 HG SER A 38 -4.358 -11.489 -5.689 1.00 62.22 H new ATOM 531 N ARG A 39 -5.244 -11.345 -0.442 1.00 71.11 N ATOM 532 CA ARG A 39 -4.921 -11.000 0.937 1.00 11.24 C ATOM 533 C ARG A 39 -3.423 -10.763 1.102 1.00 74.40 C ATOM 534 O ARG A 39 -2.620 -11.202 0.278 1.00 74.21 O ATOM 535 CB ARG A 39 -5.380 -12.109 1.884 1.00 74.24 C ATOM 536 CG ARG A 39 -6.847 -12.475 1.727 1.00 72.23 C ATOM 537 CD ARG A 39 -7.496 -12.766 3.072 1.00 64.13 C ATOM 538 NE ARG A 39 -8.409 -11.703 3.481 1.00 44.51 N ATOM 539 CZ ARG A 39 -9.260 -11.814 4.495 1.00 64.31 C ATOM 540 NH1 ARG A 39 -9.314 -12.936 5.199 1.00 31.03 N ATOM 541 NH2 ARG A 39 -10.059 -10.802 4.805 1.00 60.14 N ATOM 0 H ARG A 39 -5.812 -12.186 -0.544 1.00 71.11 H new ATOM 0 HA ARG A 39 -5.447 -10.078 1.187 1.00 11.24 H new ATOM 0 HB2 ARG A 39 -4.772 -12.997 1.712 1.00 74.24 H new ATOM 0 HB3 ARG A 39 -5.201 -11.795 2.912 1.00 74.24 H new ATOM 0 HG2 ARG A 39 -7.376 -11.659 1.236 1.00 72.23 H new ATOM 0 HG3 ARG A 39 -6.938 -13.348 1.081 1.00 72.23 H new ATOM 0 HD2 ARG A 39 -8.040 -13.709 3.015 1.00 64.13 H new ATOM 0 HD3 ARG A 39 -6.721 -12.890 3.829 1.00 64.13 H new ATOM 0 HE ARG A 39 -8.393 -10.827 2.959 1.00 44.51 H new ATOM 0 HH11 ARG A 39 -8.701 -13.716 4.963 1.00 31.03 H new ATOM 0 HH12 ARG A 39 -9.968 -13.019 5.977 1.00 31.03 H new ATOM 0 HH21 ARG A 39 -10.020 -9.938 4.265 1.00 60.14 H new ATOM 0 HH22 ARG A 39 -10.712 -10.888 5.584 1.00 60.14 H new ATOM 552 N PHE A 40 -3.053 -10.066 2.172 1.00 42.12 N ATOM 553 CA PHE A 40 -1.652 -9.770 2.444 1.00 2.13 C ATOM 554 C PHE A 40 -0.974 -10.942 3.148 1.00 72.42 C ATOM 555 O PHE A 40 0.083 -10.787 3.761 1.00 42.23 O ATOM 556 CB PHE A 40 -1.531 -8.507 3.301 1.00 71.15 C ATOM 557 CG PHE A 40 -2.154 -7.295 2.670 1.00 54.00 C ATOM 558 CD1 PHE A 40 -1.617 -6.744 1.518 1.00 30.30 C ATOM 559 CD2 PHE A 40 -3.275 -6.704 3.231 1.00 74.03 C ATOM 560 CE1 PHE A 40 -2.188 -5.628 0.935 1.00 15.32 C ATOM 561 CE2 PHE A 40 -3.850 -5.588 2.653 1.00 21.33 C ATOM 562 CZ PHE A 40 -3.305 -5.049 1.505 1.00 0.12 C ATOM 0 H PHE A 40 -3.704 -9.696 2.864 1.00 42.12 H new ATOM 0 HA PHE A 40 -1.151 -9.603 1.490 1.00 2.13 H new ATOM 0 HB2 PHE A 40 -2.002 -8.687 4.268 1.00 71.15 H new ATOM 0 HB3 PHE A 40 -0.477 -8.306 3.492 1.00 71.15 H new ATOM 0 HD1 PHE A 40 -0.742 -7.191 1.070 1.00 30.30 H new ATOM 0 HD2 PHE A 40 -3.704 -7.120 4.130 1.00 74.03 H new ATOM 0 HE1 PHE A 40 -1.761 -5.210 0.035 1.00 15.32 H new ATOM 0 HE2 PHE A 40 -4.725 -5.138 3.099 1.00 21.33 H new ATOM 0 HZ PHE A 40 -3.751 -4.176 1.053 1.00 0.12 H new ATOM 571 N LEU A 41 -1.591 -12.115 3.057 1.00 40.40 N ATOM 572 CA LEU A 41 -1.050 -13.315 3.685 1.00 61.44 C ATOM 573 C LEU A 41 -1.493 -14.568 2.937 1.00 72.43 C ATOM 574 O LEU A 41 -0.762 -15.558 2.876 1.00 51.23 O ATOM 575 CB LEU A 41 -1.496 -13.395 5.146 1.00 12.14 C ATOM 576 CG LEU A 41 -1.463 -12.083 5.931 1.00 54.20 C ATOM 577 CD1 LEU A 41 -2.761 -11.313 5.739 1.00 74.43 C ATOM 578 CD2 LEU A 41 -1.213 -12.351 7.408 1.00 14.24 C ATOM 0 H LEU A 41 -2.466 -12.261 2.554 1.00 40.40 H new ATOM 0 HA LEU A 41 0.038 -13.257 3.646 1.00 61.44 H new ATOM 0 HB2 LEU A 41 -2.513 -13.786 5.174 1.00 12.14 H new ATOM 0 HB3 LEU A 41 -0.862 -14.118 5.659 1.00 12.14 H new ATOM 0 HG LEU A 41 -0.644 -11.474 5.549 1.00 54.20 H new ATOM 0 HD11 LEU A 41 -2.719 -10.382 6.305 1.00 74.43 H new ATOM 0 HD12 LEU A 41 -2.898 -11.089 4.681 1.00 74.43 H new ATOM 0 HD13 LEU A 41 -3.597 -11.916 6.093 1.00 74.43 H new ATOM 0 HD21 LEU A 41 -1.193 -11.406 7.951 1.00 14.24 H new ATOM 0 HD22 LEU A 41 -2.011 -12.980 7.804 1.00 14.24 H new ATOM 0 HD23 LEU A 41 -0.256 -12.859 7.529 1.00 14.24 H new ATOM 589 N ASP A 42 -2.692 -14.519 2.369 1.00 53.30 N ATOM 590 CA ASP A 42 -3.232 -15.649 1.621 1.00 1.02 C ATOM 591 C ASP A 42 -2.542 -15.784 0.267 1.00 51.32 C ATOM 592 O ASP A 42 -1.900 -16.796 -0.015 1.00 43.34 O ATOM 593 CB ASP A 42 -4.740 -15.485 1.426 1.00 42.21 C ATOM 594 CG ASP A 42 -5.434 -16.804 1.148 1.00 0.12 C ATOM 595 OD1 ASP A 42 -5.484 -17.652 2.063 1.00 3.00 O ATOM 596 OD2 ASP A 42 -5.926 -16.988 0.015 1.00 70.55 O ATOM 0 H ASP A 42 -3.310 -13.708 2.412 1.00 53.30 H new ATOM 0 HA ASP A 42 -3.045 -16.556 2.195 1.00 1.02 H new ATOM 0 HB2 ASP A 42 -5.172 -15.031 2.318 1.00 42.21 H new ATOM 0 HB3 ASP A 42 -4.924 -14.799 0.599 1.00 42.21 H new ATOM 600 N ASP A 43 -2.680 -14.759 -0.565 1.00 43.41 N ATOM 601 CA ASP A 43 -2.071 -14.762 -1.891 1.00 32.40 C ATOM 602 C ASP A 43 -0.824 -13.883 -1.918 1.00 61.22 C ATOM 603 O ASP A 43 -0.175 -13.739 -2.954 1.00 64.12 O ATOM 604 CB ASP A 43 -3.075 -14.278 -2.939 1.00 32.35 C ATOM 605 CG ASP A 43 -3.497 -15.382 -3.888 1.00 22.12 C ATOM 606 OD1 ASP A 43 -2.644 -15.848 -4.672 1.00 63.23 O ATOM 607 OD2 ASP A 43 -4.680 -15.780 -3.848 1.00 0.33 O ATOM 0 H ASP A 43 -3.208 -13.914 -0.346 1.00 43.41 H new ATOM 0 HA ASP A 43 -1.778 -15.785 -2.127 1.00 32.40 H new ATOM 0 HB2 ASP A 43 -3.956 -13.878 -2.437 1.00 32.35 H new ATOM 0 HB3 ASP A 43 -2.635 -13.460 -3.510 1.00 32.35 H new ATOM 611 N LEU A 44 -0.496 -13.296 -0.773 1.00 53.20 N ATOM 612 CA LEU A 44 0.672 -12.429 -0.665 1.00 14.31 C ATOM 613 C LEU A 44 1.645 -12.955 0.386 1.00 1.14 C ATOM 614 O LEU A 44 2.843 -12.673 0.335 1.00 45.35 O ATOM 615 CB LEU A 44 0.244 -11.003 -0.311 1.00 65.54 C ATOM 616 CG LEU A 44 -0.551 -10.257 -1.384 1.00 30.23 C ATOM 617 CD1 LEU A 44 -1.028 -8.912 -0.855 1.00 60.44 C ATOM 618 CD2 LEU A 44 0.290 -10.070 -2.638 1.00 35.23 C ATOM 0 H LEU A 44 -1.022 -13.404 0.094 1.00 53.20 H new ATOM 0 HA LEU A 44 1.177 -12.421 -1.631 1.00 14.31 H new ATOM 0 HB2 LEU A 44 -0.356 -11.040 0.598 1.00 65.54 H new ATOM 0 HB3 LEU A 44 1.138 -10.423 -0.080 1.00 65.54 H new ATOM 0 HG LEU A 44 -1.425 -10.855 -1.643 1.00 30.23 H new ATOM 0 HD11 LEU A 44 -1.592 -8.395 -1.631 1.00 60.44 H new ATOM 0 HD12 LEU A 44 -1.667 -9.069 0.014 1.00 60.44 H new ATOM 0 HD13 LEU A 44 -0.167 -8.308 -0.568 1.00 60.44 H new ATOM 0 HD21 LEU A 44 -0.292 -9.538 -3.390 1.00 35.23 H new ATOM 0 HD22 LEU A 44 1.183 -9.494 -2.395 1.00 35.23 H new ATOM 0 HD23 LEU A 44 0.583 -11.045 -3.029 1.00 35.23 H new ATOM 629 N HIS A 45 1.123 -13.721 1.338 1.00 51.25 N ATOM 630 CA HIS A 45 1.945 -14.289 2.400 1.00 33.32 C ATOM 631 C HIS A 45 2.865 -13.230 3.000 1.00 14.35 C ATOM 632 O HIS A 45 4.071 -13.441 3.127 1.00 11.33 O ATOM 633 CB HIS A 45 2.774 -15.455 1.863 1.00 23.50 C ATOM 634 CG HIS A 45 3.392 -16.297 2.938 1.00 40.03 C ATOM 635 ND1 HIS A 45 4.717 -16.679 2.926 1.00 12.52 N ATOM 636 CD2 HIS A 45 2.859 -16.828 4.062 1.00 52.14 C ATOM 637 CE1 HIS A 45 4.971 -17.410 3.997 1.00 42.53 C ATOM 638 NE2 HIS A 45 3.860 -17.515 4.703 1.00 62.45 N ATOM 0 H HIS A 45 0.134 -13.963 1.396 1.00 51.25 H new ATOM 0 HA HIS A 45 1.281 -14.655 3.183 1.00 33.32 H new ATOM 0 HB2 HIS A 45 2.139 -16.085 1.240 1.00 23.50 H new ATOM 0 HB3 HIS A 45 3.563 -15.064 1.221 1.00 23.50 H new ATOM 0 HD2 HIS A 45 1.836 -16.730 4.394 1.00 52.14 H new ATOM 0 HE1 HIS A 45 5.925 -17.847 4.252 1.00 42.53 H new ATOM 0 HE2 HIS A 45 3.762 -18.024 5.582 1.00 62.45 H new ATOM 645 N MET A 46 2.288 -12.090 3.366 1.00 32.34 N ATOM 646 CA MET A 46 3.056 -10.999 3.953 1.00 12.01 C ATOM 647 C MET A 46 2.760 -10.864 5.443 1.00 32.54 C ATOM 648 O MET A 46 1.602 -10.772 5.849 1.00 73.35 O ATOM 649 CB MET A 46 2.741 -9.683 3.238 1.00 31.24 C ATOM 650 CG MET A 46 2.714 -9.806 1.723 1.00 41.15 C ATOM 651 SD MET A 46 4.340 -9.583 0.978 1.00 21.01 S ATOM 652 CE MET A 46 4.172 -7.940 0.284 1.00 52.30 C ATOM 0 H MET A 46 1.291 -11.898 3.266 1.00 32.34 H new ATOM 0 HA MET A 46 4.115 -11.227 3.831 1.00 12.01 H new ATOM 0 HB2 MET A 46 1.774 -9.315 3.582 1.00 31.24 H new ATOM 0 HB3 MET A 46 3.485 -8.938 3.521 1.00 31.24 H new ATOM 0 HG2 MET A 46 2.325 -10.787 1.449 1.00 41.15 H new ATOM 0 HG3 MET A 46 2.027 -9.065 1.315 1.00 41.15 H new ATOM 0 HE1 MET A 46 4.284 -7.989 -0.799 1.00 52.30 H new ATOM 0 HE2 MET A 46 3.188 -7.540 0.529 1.00 52.30 H new ATOM 0 HE3 MET A 46 4.942 -7.289 0.699 1.00 52.30 H new ATOM 660 N SER A 47 3.813 -10.854 6.253 1.00 32.55 N ATOM 661 CA SER A 47 3.665 -10.736 7.699 1.00 33.23 C ATOM 662 C SER A 47 3.246 -9.322 8.088 1.00 13.44 C ATOM 663 O SER A 47 3.517 -8.361 7.367 1.00 64.01 O ATOM 664 CB SER A 47 4.975 -11.102 8.399 1.00 0.03 C ATOM 665 OG SER A 47 5.466 -12.351 7.942 1.00 10.31 O ATOM 0 H SER A 47 4.779 -10.926 5.933 1.00 32.55 H new ATOM 0 HA SER A 47 2.886 -11.428 8.017 1.00 33.23 H new ATOM 0 HB2 SER A 47 5.718 -10.326 8.215 1.00 0.03 H new ATOM 0 HB3 SER A 47 4.816 -11.142 9.477 1.00 0.03 H new ATOM 0 HG SER A 47 6.305 -12.561 8.403 1.00 10.31 H new ATOM 670 N SER A 48 2.584 -9.201 9.234 1.00 63.32 N ATOM 671 CA SER A 48 2.123 -7.905 9.718 1.00 32.51 C ATOM 672 C SER A 48 3.235 -6.864 9.628 1.00 60.12 C ATOM 673 O SER A 48 2.990 -5.706 9.291 1.00 53.42 O ATOM 674 CB SER A 48 1.635 -8.022 11.163 1.00 53.24 C ATOM 675 OG SER A 48 2.434 -8.931 11.901 1.00 42.33 O ATOM 0 H SER A 48 2.355 -9.985 9.845 1.00 63.32 H new ATOM 0 HA SER A 48 1.295 -7.582 9.087 1.00 32.51 H new ATOM 0 HB2 SER A 48 1.661 -7.042 11.639 1.00 53.24 H new ATOM 0 HB3 SER A 48 0.597 -8.354 11.173 1.00 53.24 H new ATOM 0 HG SER A 48 2.102 -8.986 12.821 1.00 42.33 H new ATOM 680 N ILE A 49 4.458 -7.287 9.930 1.00 50.55 N ATOM 681 CA ILE A 49 5.608 -6.393 9.881 1.00 53.42 C ATOM 682 C ILE A 49 6.018 -6.102 8.442 1.00 5.14 C ATOM 683 O ILE A 49 6.334 -4.964 8.092 1.00 21.35 O ATOM 684 CB ILE A 49 6.813 -6.984 10.638 1.00 44.12 C ATOM 685 CG1 ILE A 49 6.456 -7.218 12.106 1.00 14.32 C ATOM 686 CG2 ILE A 49 8.017 -6.062 10.518 1.00 53.22 C ATOM 687 CD1 ILE A 49 5.931 -5.982 12.804 1.00 52.34 C ATOM 0 H ILE A 49 4.678 -8.243 10.211 1.00 50.55 H new ATOM 0 HA ILE A 49 5.306 -5.464 10.364 1.00 53.42 H new ATOM 0 HB ILE A 49 7.070 -7.944 10.190 1.00 44.12 H new ATOM 0 HG12 ILE A 49 5.706 -8.007 12.168 1.00 14.32 H new ATOM 0 HG13 ILE A 49 7.340 -7.576 12.634 1.00 14.32 H new ATOM 0 HG21 ILE A 49 8.860 -6.493 11.058 1.00 53.22 H new ATOM 0 HG22 ILE A 49 8.281 -5.943 9.467 1.00 53.22 H new ATOM 0 HG23 ILE A 49 7.773 -5.088 10.943 1.00 53.22 H new ATOM 0 HD11 ILE A 49 5.698 -6.221 13.842 1.00 52.34 H new ATOM 0 HD12 ILE A 49 6.688 -5.198 12.773 1.00 52.34 H new ATOM 0 HD13 ILE A 49 5.029 -5.635 12.300 1.00 52.34 H new ATOM 698 N THR A 50 6.008 -7.138 7.609 1.00 40.40 N ATOM 699 CA THR A 50 6.378 -6.994 6.206 1.00 32.34 C ATOM 700 C THR A 50 5.451 -6.020 5.490 1.00 44.44 C ATOM 701 O THR A 50 5.882 -5.254 4.628 1.00 24.43 O ATOM 702 CB THR A 50 6.345 -8.349 5.475 1.00 1.14 C ATOM 703 OG1 THR A 50 7.308 -9.240 6.050 1.00 45.24 O ATOM 704 CG2 THR A 50 6.634 -8.171 3.992 1.00 1.25 C ATOM 0 H THR A 50 5.748 -8.086 7.881 1.00 40.40 H new ATOM 0 HA THR A 50 7.395 -6.603 6.186 1.00 32.34 H new ATOM 0 HB THR A 50 5.347 -8.772 5.586 1.00 1.14 H new ATOM 0 HG1 THR A 50 7.279 -10.100 5.581 1.00 45.24 H new ATOM 0 HG21 THR A 50 6.605 -9.142 3.497 1.00 1.25 H new ATOM 0 HG22 THR A 50 5.883 -7.516 3.551 1.00 1.25 H new ATOM 0 HG23 THR A 50 7.622 -7.728 3.864 1.00 1.25 H new ATOM 712 N VAL A 51 4.172 -6.053 5.852 1.00 12.32 N ATOM 713 CA VAL A 51 3.182 -5.171 5.244 1.00 23.50 C ATOM 714 C VAL A 51 3.514 -3.707 5.510 1.00 22.44 C ATOM 715 O VAL A 51 3.536 -2.889 4.592 1.00 14.41 O ATOM 716 CB VAL A 51 1.766 -5.469 5.772 1.00 22.31 C ATOM 717 CG1 VAL A 51 0.716 -4.834 4.873 1.00 64.43 C ATOM 718 CG2 VAL A 51 1.545 -6.969 5.886 1.00 22.42 C ATOM 0 H VAL A 51 3.797 -6.681 6.563 1.00 12.32 H new ATOM 0 HA VAL A 51 3.208 -5.357 4.170 1.00 23.50 H new ATOM 0 HB VAL A 51 1.669 -5.034 6.767 1.00 22.31 H new ATOM 0 HG11 VAL A 51 -0.278 -5.055 5.262 1.00 64.43 H new ATOM 0 HG12 VAL A 51 0.864 -3.754 4.848 1.00 64.43 H new ATOM 0 HG13 VAL A 51 0.809 -5.237 3.864 1.00 64.43 H new ATOM 0 HG21 VAL A 51 0.540 -7.161 6.261 1.00 22.42 H new ATOM 0 HG22 VAL A 51 1.661 -7.429 4.905 1.00 22.42 H new ATOM 0 HG23 VAL A 51 2.276 -7.393 6.575 1.00 22.42 H new ATOM 728 N GLY A 52 3.773 -3.384 6.774 1.00 23.01 N ATOM 729 CA GLY A 52 4.101 -2.019 7.138 1.00 1.31 C ATOM 730 C GLY A 52 5.324 -1.501 6.406 1.00 40.23 C ATOM 731 O GLY A 52 5.466 -0.296 6.197 1.00 50.35 O ATOM 0 H GLY A 52 3.761 -4.044 7.552 1.00 23.01 H new ATOM 0 HA2 GLY A 52 3.250 -1.374 6.919 1.00 1.31 H new ATOM 0 HA3 GLY A 52 4.275 -1.965 8.213 1.00 1.31 H new ATOM 735 N GLN A 53 6.209 -2.413 6.017 1.00 40.30 N ATOM 736 CA GLN A 53 7.427 -2.040 5.307 1.00 43.24 C ATOM 737 C GLN A 53 7.101 -1.464 3.933 1.00 24.11 C ATOM 738 O GLN A 53 7.633 -0.425 3.541 1.00 54.13 O ATOM 739 CB GLN A 53 8.347 -3.253 5.159 1.00 33.33 C ATOM 740 CG GLN A 53 8.812 -3.829 6.488 1.00 42.35 C ATOM 741 CD GLN A 53 8.894 -2.783 7.581 1.00 2.34 C ATOM 742 OE1 GLN A 53 9.592 -1.778 7.442 1.00 13.44 O ATOM 743 NE2 GLN A 53 8.180 -3.013 8.677 1.00 44.53 N ATOM 0 H GLN A 53 6.106 -3.414 6.181 1.00 40.30 H new ATOM 0 HA GLN A 53 7.938 -1.274 5.890 1.00 43.24 H new ATOM 0 HB2 GLN A 53 7.825 -4.029 4.599 1.00 33.33 H new ATOM 0 HB3 GLN A 53 9.219 -2.968 4.571 1.00 33.33 H new ATOM 0 HG2 GLN A 53 8.127 -4.619 6.797 1.00 42.35 H new ATOM 0 HG3 GLN A 53 9.791 -4.290 6.357 1.00 42.35 H new ATOM 0 HE21 GLN A 53 7.615 -3.859 8.750 1.00 44.53 H new ATOM 0 HE22 GLN A 53 8.196 -2.343 9.446 1.00 44.53 H new ATOM 750 N LEU A 54 6.224 -2.147 3.204 1.00 11.44 N ATOM 751 CA LEU A 54 5.827 -1.702 1.872 1.00 71.54 C ATOM 752 C LEU A 54 4.738 -0.638 1.955 1.00 10.33 C ATOM 753 O LEU A 54 4.665 0.257 1.113 1.00 44.40 O ATOM 754 CB LEU A 54 5.333 -2.890 1.044 1.00 51.42 C ATOM 755 CG LEU A 54 3.857 -3.257 1.211 1.00 23.22 C ATOM 756 CD1 LEU A 54 2.997 -2.463 0.241 1.00 53.31 C ATOM 757 CD2 LEU A 54 3.654 -4.751 1.008 1.00 70.10 C ATOM 0 H LEU A 54 5.775 -3.009 3.512 1.00 11.44 H new ATOM 0 HA LEU A 54 6.699 -1.265 1.386 1.00 71.54 H new ATOM 0 HB2 LEU A 54 5.516 -2.675 -0.009 1.00 51.42 H new ATOM 0 HB3 LEU A 54 5.935 -3.762 1.301 1.00 51.42 H new ATOM 0 HG LEU A 54 3.551 -3.004 2.226 1.00 23.22 H new ATOM 0 HD11 LEU A 54 1.950 -2.737 0.374 1.00 53.31 H new ATOM 0 HD12 LEU A 54 3.120 -1.397 0.434 1.00 53.31 H new ATOM 0 HD13 LEU A 54 3.303 -2.684 -0.782 1.00 53.31 H new ATOM 0 HD21 LEU A 54 2.599 -4.995 1.130 1.00 70.10 H new ATOM 0 HD22 LEU A 54 3.977 -5.029 0.005 1.00 70.10 H new ATOM 0 HD23 LEU A 54 4.241 -5.301 1.743 1.00 70.10 H new ATOM 768 N VAL A 55 3.895 -0.738 2.977 1.00 32.22 N ATOM 769 CA VAL A 55 2.813 0.218 3.173 1.00 73.42 C ATOM 770 C VAL A 55 3.350 1.639 3.299 1.00 21.54 C ATOM 771 O VAL A 55 2.670 2.604 2.955 1.00 54.32 O ATOM 772 CB VAL A 55 1.986 -0.119 4.428 1.00 74.42 C ATOM 773 CG1 VAL A 55 2.485 0.674 5.626 1.00 10.32 C ATOM 774 CG2 VAL A 55 0.508 0.148 4.180 1.00 62.21 C ATOM 0 H VAL A 55 3.941 -1.473 3.683 1.00 32.22 H new ATOM 0 HA VAL A 55 2.171 0.152 2.295 1.00 73.42 H new ATOM 0 HB VAL A 55 2.109 -1.179 4.648 1.00 74.42 H new ATOM 0 HG11 VAL A 55 1.888 0.422 6.503 1.00 10.32 H new ATOM 0 HG12 VAL A 55 3.530 0.428 5.815 1.00 10.32 H new ATOM 0 HG13 VAL A 55 2.395 1.740 5.420 1.00 10.32 H new ATOM 0 HG21 VAL A 55 -0.061 -0.096 5.077 1.00 62.21 H new ATOM 0 HG22 VAL A 55 0.365 1.200 3.934 1.00 62.21 H new ATOM 0 HG23 VAL A 55 0.161 -0.469 3.351 1.00 62.21 H new ATOM 784 N ASN A 56 4.578 1.759 3.795 1.00 33.01 N ATOM 785 CA ASN A 56 5.208 3.063 3.968 1.00 5.31 C ATOM 786 C ASN A 56 5.549 3.685 2.616 1.00 71.22 C ATOM 787 O ASN A 56 5.402 4.891 2.423 1.00 1.43 O ATOM 788 CB ASN A 56 6.475 2.932 4.815 1.00 11.13 C ATOM 789 CG ASN A 56 6.273 3.426 6.235 1.00 30.41 C ATOM 790 OD1 ASN A 56 6.590 4.571 6.557 1.00 43.31 O ATOM 791 ND2 ASN A 56 5.745 2.560 7.093 1.00 40.41 N ATOM 0 H ASN A 56 5.156 0.970 4.084 1.00 33.01 H new ATOM 0 HA ASN A 56 4.502 3.715 4.481 1.00 5.31 H new ATOM 0 HB2 ASN A 56 6.788 1.888 4.837 1.00 11.13 H new ATOM 0 HB3 ASN A 56 7.282 3.497 4.348 1.00 11.13 H new ATOM 0 HD21 ASN A 56 5.587 2.834 8.063 1.00 40.41 H new ATOM 0 HD22 ASN A 56 5.497 1.621 6.782 1.00 40.41 H new ATOM 797 N GLU A 57 6.005 2.852 1.686 1.00 72.21 N ATOM 798 CA GLU A 57 6.366 3.320 0.354 1.00 0.41 C ATOM 799 C GLU A 57 5.159 3.926 -0.357 1.00 50.25 C ATOM 800 O GLU A 57 5.289 4.886 -1.117 1.00 71.14 O ATOM 801 CB GLU A 57 6.938 2.171 -0.479 1.00 71.34 C ATOM 802 CG GLU A 57 7.828 2.629 -1.621 1.00 33.33 C ATOM 803 CD GLU A 57 9.168 3.154 -1.141 1.00 1.12 C ATOM 804 OE1 GLU A 57 9.349 3.279 0.088 1.00 34.21 O ATOM 805 OE2 GLU A 57 10.034 3.440 -1.994 1.00 71.41 O ATOM 0 H GLU A 57 6.133 1.850 1.831 1.00 72.21 H new ATOM 0 HA GLU A 57 7.127 4.093 0.464 1.00 0.41 H new ATOM 0 HB2 GLU A 57 7.510 1.511 0.173 1.00 71.34 H new ATOM 0 HB3 GLU A 57 6.115 1.583 -0.885 1.00 71.34 H new ATOM 0 HG2 GLU A 57 7.992 1.797 -2.305 1.00 33.33 H new ATOM 0 HG3 GLU A 57 7.317 3.409 -2.185 1.00 33.33 H new ATOM 810 N ALA A 58 3.984 3.358 -0.104 1.00 35.54 N ATOM 811 CA ALA A 58 2.754 3.841 -0.717 1.00 53.40 C ATOM 812 C ALA A 58 2.417 5.249 -0.237 1.00 31.12 C ATOM 813 O ALA A 58 2.196 6.153 -1.042 1.00 31.23 O ATOM 814 CB ALA A 58 1.605 2.890 -0.415 1.00 42.21 C ATOM 0 H ALA A 58 3.859 2.562 0.522 1.00 35.54 H new ATOM 0 HA ALA A 58 2.906 3.880 -1.796 1.00 53.40 H new ATOM 0 HB1 ALA A 58 0.692 3.263 -0.879 1.00 42.21 H new ATOM 0 HB2 ALA A 58 1.836 1.902 -0.813 1.00 42.21 H new ATOM 0 HB3 ALA A 58 1.462 2.823 0.664 1.00 42.21 H new ATOM 820 N ALA A 59 2.380 5.428 1.080 1.00 20.23 N ATOM 821 CA ALA A 59 2.073 6.725 1.666 1.00 13.41 C ATOM 822 C ALA A 59 2.964 7.817 1.083 1.00 63.02 C ATOM 823 O ALA A 59 2.511 8.935 0.834 1.00 35.10 O ATOM 824 CB ALA A 59 2.224 6.671 3.179 1.00 62.41 C ATOM 0 H ALA A 59 2.559 4.690 1.761 1.00 20.23 H new ATOM 0 HA ALA A 59 1.039 6.968 1.423 1.00 13.41 H new ATOM 0 HB1 ALA A 59 1.991 7.648 3.603 1.00 62.41 H new ATOM 0 HB2 ALA A 59 1.540 5.926 3.587 1.00 62.41 H new ATOM 0 HB3 ALA A 59 3.249 6.400 3.433 1.00 62.41 H new ATOM 830 N ARG A 60 4.233 7.486 0.867 1.00 14.11 N ATOM 831 CA ARG A 60 5.187 8.439 0.316 1.00 23.12 C ATOM 832 C ARG A 60 4.740 8.922 -1.062 1.00 70.32 C ATOM 833 O ARG A 60 4.790 10.114 -1.359 1.00 4.13 O ATOM 834 CB ARG A 60 6.577 7.805 0.219 1.00 54.04 C ATOM 835 CG ARG A 60 7.708 8.818 0.179 1.00 3.52 C ATOM 836 CD ARG A 60 8.319 9.026 1.555 1.00 40.40 C ATOM 837 NE ARG A 60 9.565 8.283 1.719 1.00 24.52 N ATOM 838 CZ ARG A 60 10.475 8.567 2.643 1.00 14.13 C ATOM 839 NH1 ARG A 60 10.279 9.575 3.484 1.00 64.04 N ATOM 840 NH2 ARG A 60 11.584 7.844 2.729 1.00 12.44 N ATOM 0 H ARG A 60 4.624 6.565 1.065 1.00 14.11 H new ATOM 0 HA ARG A 60 5.232 9.297 0.986 1.00 23.12 H new ATOM 0 HB2 ARG A 60 6.725 7.142 1.072 1.00 54.04 H new ATOM 0 HB3 ARG A 60 6.623 7.187 -0.677 1.00 54.04 H new ATOM 0 HG2 ARG A 60 8.478 8.478 -0.514 1.00 3.52 H new ATOM 0 HG3 ARG A 60 7.333 9.768 -0.201 1.00 3.52 H new ATOM 0 HD2 ARG A 60 8.507 10.088 1.711 1.00 40.40 H new ATOM 0 HD3 ARG A 60 7.607 8.713 2.319 1.00 40.40 H new ATOM 0 HE ARG A 60 9.747 7.502 1.088 1.00 24.52 H new ATOM 0 HH11 ARG A 60 9.428 10.133 3.421 1.00 64.04 H new ATOM 0 HH12 ARG A 60 10.980 9.791 4.193 1.00 64.04 H new ATOM 0 HH21 ARG A 60 11.739 7.069 2.085 1.00 12.44 H new ATOM 0 HH22 ARG A 60 12.282 8.064 3.439 1.00 12.44 H new ATOM 851 N ALA A 61 4.303 7.985 -1.897 1.00 44.21 N ATOM 852 CA ALA A 61 3.846 8.314 -3.241 1.00 44.14 C ATOM 853 C ALA A 61 2.535 9.092 -3.201 1.00 33.22 C ATOM 854 O ALA A 61 2.354 10.062 -3.936 1.00 22.43 O ATOM 855 CB ALA A 61 3.684 7.048 -4.069 1.00 24.24 C ATOM 0 H ALA A 61 4.256 6.993 -1.666 1.00 44.21 H new ATOM 0 HA ALA A 61 4.600 8.947 -3.708 1.00 44.14 H new ATOM 0 HB1 ALA A 61 3.342 7.309 -5.070 1.00 24.24 H new ATOM 0 HB2 ALA A 61 4.642 6.532 -4.136 1.00 24.24 H new ATOM 0 HB3 ALA A 61 2.952 6.394 -3.595 1.00 24.24 H new ATOM 861 N MET A 62 1.623 8.659 -2.336 1.00 54.43 N ATOM 862 CA MET A 62 0.329 9.317 -2.199 1.00 60.05 C ATOM 863 C MET A 62 0.476 10.672 -1.516 1.00 21.10 C ATOM 864 O MET A 62 -0.471 11.455 -1.456 1.00 43.52 O ATOM 865 CB MET A 62 -0.635 8.433 -1.403 1.00 3.24 C ATOM 866 CG MET A 62 -0.785 7.032 -1.972 1.00 22.04 C ATOM 867 SD MET A 62 -1.155 7.034 -3.737 1.00 31.53 S ATOM 868 CE MET A 62 -2.557 8.148 -3.787 1.00 0.44 C ATOM 0 H MET A 62 1.756 7.857 -1.721 1.00 54.43 H new ATOM 0 HA MET A 62 -0.076 9.477 -3.198 1.00 60.05 H new ATOM 0 HB2 MET A 62 -0.284 8.362 -0.373 1.00 3.24 H new ATOM 0 HB3 MET A 62 -1.614 8.911 -1.374 1.00 3.24 H new ATOM 0 HG2 MET A 62 0.135 6.473 -1.798 1.00 22.04 H new ATOM 0 HG3 MET A 62 -1.580 6.511 -1.439 1.00 22.04 H new ATOM 0 HE1 MET A 62 -2.946 8.197 -4.804 1.00 0.44 H new ATOM 0 HE2 MET A 62 -3.336 7.783 -3.118 1.00 0.44 H new ATOM 0 HE3 MET A 62 -2.243 9.142 -3.470 1.00 0.44 H new ATOM 876 N GLY A 63 1.671 10.943 -1.000 1.00 12.10 N ATOM 877 CA GLY A 63 1.921 12.205 -0.328 1.00 34.51 C ATOM 878 C GLY A 63 1.221 12.294 1.014 1.00 52.44 C ATOM 879 O GLY A 63 0.523 13.271 1.295 1.00 21.40 O ATOM 0 H GLY A 63 2.471 10.311 -1.035 1.00 12.10 H new ATOM 0 HA2 GLY A 63 2.994 12.330 -0.184 1.00 34.51 H new ATOM 0 HA3 GLY A 63 1.587 13.025 -0.964 1.00 34.51 H new ATOM 883 N LEU A 64 1.404 11.275 1.845 1.00 64.53 N ATOM 884 CA LEU A 64 0.783 11.241 3.164 1.00 62.44 C ATOM 885 C LEU A 64 1.824 11.438 4.261 1.00 72.44 C ATOM 886 O LEU A 64 2.944 11.873 3.997 1.00 4.10 O ATOM 887 CB LEU A 64 0.052 9.913 3.372 1.00 71.43 C ATOM 888 CG LEU A 64 -0.744 9.391 2.175 1.00 64.20 C ATOM 889 CD1 LEU A 64 -1.609 8.208 2.584 1.00 74.11 C ATOM 890 CD2 LEU A 64 -1.599 10.498 1.578 1.00 15.55 C ATOM 0 H LEU A 64 1.978 10.460 1.629 1.00 64.53 H new ATOM 0 HA LEU A 64 0.063 12.058 3.220 1.00 62.44 H new ATOM 0 HB2 LEU A 64 0.786 9.157 3.653 1.00 71.43 H new ATOM 0 HB3 LEU A 64 -0.629 10.024 4.215 1.00 71.43 H new ATOM 0 HG LEU A 64 -0.040 9.054 1.414 1.00 64.20 H new ATOM 0 HD11 LEU A 64 -2.168 7.850 1.720 1.00 74.11 H new ATOM 0 HD12 LEU A 64 -0.974 7.407 2.963 1.00 74.11 H new ATOM 0 HD13 LEU A 64 -2.305 8.518 3.363 1.00 74.11 H new ATOM 0 HD21 LEU A 64 -2.158 10.108 0.728 1.00 15.55 H new ATOM 0 HD22 LEU A 64 -2.295 10.867 2.331 1.00 15.55 H new ATOM 0 HD23 LEU A 64 -0.958 11.315 1.246 1.00 15.55 H new ATOM 901 N SER A 65 1.447 11.112 5.494 1.00 43.42 N ATOM 902 CA SER A 65 2.347 11.254 6.632 1.00 2.11 C ATOM 903 C SER A 65 1.921 10.345 7.780 1.00 3.22 C ATOM 904 O SER A 65 2.536 9.308 8.026 1.00 54.21 O ATOM 905 CB SER A 65 2.380 12.709 7.104 1.00 24.35 C ATOM 906 OG SER A 65 3.158 12.846 8.280 1.00 2.10 O ATOM 0 H SER A 65 0.524 10.748 5.730 1.00 43.42 H new ATOM 0 HA SER A 65 3.346 10.960 6.311 1.00 2.11 H new ATOM 0 HB2 SER A 65 2.791 13.341 6.317 1.00 24.35 H new ATOM 0 HB3 SER A 65 1.364 13.056 7.294 1.00 24.35 H new ATOM 0 HG SER A 65 3.165 13.785 8.560 1.00 2.10 H new ATOM 911 N ALA A 66 0.862 10.741 8.478 1.00 0.11 N ATOM 912 CA ALA A 66 0.350 9.962 9.599 1.00 32.05 C ATOM 913 C ALA A 66 -0.491 8.788 9.112 1.00 63.31 C ATOM 914 O ALA A 66 -0.802 7.874 9.877 1.00 22.05 O ATOM 915 CB ALA A 66 -0.464 10.848 10.530 1.00 11.21 C ATOM 0 H ALA A 66 0.342 11.597 8.287 1.00 0.11 H new ATOM 0 HA ALA A 66 1.201 9.561 10.150 1.00 32.05 H new ATOM 0 HB1 ALA A 66 -0.840 10.253 11.362 1.00 11.21 H new ATOM 0 HB2 ALA A 66 0.167 11.650 10.913 1.00 11.21 H new ATOM 0 HB3 ALA A 66 -1.303 11.277 9.983 1.00 11.21 H new ATOM 921 N VAL A 67 -0.860 8.818 7.835 1.00 11.03 N ATOM 922 CA VAL A 67 -1.666 7.756 7.246 1.00 74.01 C ATOM 923 C VAL A 67 -0.938 6.418 7.304 1.00 43.32 C ATOM 924 O VAL A 67 -1.548 5.360 7.148 1.00 14.52 O ATOM 925 CB VAL A 67 -2.025 8.071 5.781 1.00 33.23 C ATOM 926 CG1 VAL A 67 -2.852 6.945 5.181 1.00 31.21 C ATOM 927 CG2 VAL A 67 -2.766 9.395 5.687 1.00 13.34 C ATOM 0 H VAL A 67 -0.613 9.567 7.188 1.00 11.03 H new ATOM 0 HA VAL A 67 -2.583 7.692 7.831 1.00 74.01 H new ATOM 0 HB VAL A 67 -1.101 8.157 5.209 1.00 33.23 H new ATOM 0 HG11 VAL A 67 -3.096 7.185 4.146 1.00 31.21 H new ATOM 0 HG12 VAL A 67 -2.281 6.017 5.214 1.00 31.21 H new ATOM 0 HG13 VAL A 67 -3.772 6.825 5.753 1.00 31.21 H new ATOM 0 HG21 VAL A 67 -3.012 9.601 4.645 1.00 13.34 H new ATOM 0 HG22 VAL A 67 -3.684 9.341 6.272 1.00 13.34 H new ATOM 0 HG23 VAL A 67 -2.135 10.194 6.076 1.00 13.34 H new ATOM 937 N ALA A 68 0.371 6.471 7.528 1.00 51.32 N ATOM 938 CA ALA A 68 1.182 5.263 7.609 1.00 51.22 C ATOM 939 C ALA A 68 0.488 4.190 8.441 1.00 43.23 C ATOM 940 O ALA A 68 0.413 4.293 9.665 1.00 1.13 O ATOM 941 CB ALA A 68 2.550 5.583 8.192 1.00 14.05 C ATOM 0 H ALA A 68 0.892 7.338 7.657 1.00 51.32 H new ATOM 0 HA ALA A 68 1.312 4.875 6.599 1.00 51.22 H new ATOM 0 HB1 ALA A 68 3.145 4.671 8.246 1.00 14.05 H new ATOM 0 HB2 ALA A 68 3.056 6.309 7.555 1.00 14.05 H new ATOM 0 HB3 ALA A 68 2.431 5.999 9.193 1.00 14.05 H new ATOM 947 N MET A 69 -0.019 3.163 7.769 1.00 61.31 N ATOM 948 CA MET A 69 -0.708 2.070 8.447 1.00 14.44 C ATOM 949 C MET A 69 -2.001 2.560 9.092 1.00 25.40 C ATOM 950 O MET A 69 -2.054 2.858 10.285 1.00 5.20 O ATOM 951 CB MET A 69 0.202 1.449 9.510 1.00 44.15 C ATOM 952 CG MET A 69 1.656 1.350 9.081 1.00 34.45 C ATOM 953 SD MET A 69 2.457 -0.150 9.681 1.00 73.35 S ATOM 954 CE MET A 69 1.395 -1.407 8.972 1.00 0.03 C ATOM 0 H MET A 69 0.034 3.064 6.755 1.00 61.31 H new ATOM 0 HA MET A 69 -0.958 1.313 7.704 1.00 14.44 H new ATOM 0 HB2 MET A 69 0.140 2.043 10.422 1.00 44.15 H new ATOM 0 HB3 MET A 69 -0.165 0.452 9.754 1.00 44.15 H new ATOM 0 HG2 MET A 69 1.712 1.377 7.993 1.00 34.45 H new ATOM 0 HG3 MET A 69 2.200 2.220 9.450 1.00 34.45 H new ATOM 0 HE1 MET A 69 1.927 -2.358 8.941 1.00 0.03 H new ATOM 0 HE2 MET A 69 0.499 -1.513 9.583 1.00 0.03 H new ATOM 0 HE3 MET A 69 1.112 -1.116 7.960 1.00 0.03 H new ATOM 962 N PRO A 70 -3.069 2.644 8.285 1.00 74.43 N ATOM 963 CA PRO A 70 -4.382 3.096 8.755 1.00 31.01 C ATOM 964 C PRO A 70 -5.043 2.087 9.688 1.00 42.11 C ATOM 965 O PRO A 70 -5.787 2.459 10.596 1.00 35.32 O ATOM 966 CB PRO A 70 -5.191 3.240 7.464 1.00 35.00 C ATOM 967 CG PRO A 70 -4.541 2.305 6.503 1.00 14.04 C ATOM 968 CD PRO A 70 -3.078 2.303 6.852 1.00 51.01 C ATOM 0 HA PRO A 70 -4.312 4.016 9.335 1.00 31.01 H new ATOM 0 HB2 PRO A 70 -6.238 2.981 7.622 1.00 35.00 H new ATOM 0 HB3 PRO A 70 -5.169 4.265 7.095 1.00 35.00 H new ATOM 0 HG2 PRO A 70 -4.963 1.304 6.587 1.00 14.04 H new ATOM 0 HG3 PRO A 70 -4.696 2.632 5.475 1.00 14.04 H new ATOM 0 HD2 PRO A 70 -2.622 1.330 6.667 1.00 51.01 H new ATOM 0 HD3 PRO A 70 -2.523 3.032 6.262 1.00 51.01 H new ATOM 973 N THR A 71 -4.767 0.807 9.460 1.00 43.33 N ATOM 974 CA THR A 71 -5.335 -0.256 10.279 1.00 64.21 C ATOM 975 C THR A 71 -4.655 -1.591 9.996 1.00 35.22 C ATOM 976 O THR A 71 -3.820 -1.695 9.099 1.00 65.44 O ATOM 977 CB THR A 71 -6.849 -0.403 10.036 1.00 54.10 C ATOM 978 OG1 THR A 71 -7.418 -1.282 11.014 1.00 64.12 O ATOM 979 CG2 THR A 71 -7.125 -0.941 8.640 1.00 73.11 C ATOM 0 H THR A 71 -4.153 0.481 8.714 1.00 43.33 H new ATOM 0 HA THR A 71 -5.166 0.022 11.319 1.00 64.21 H new ATOM 0 HB THR A 71 -7.306 0.583 10.123 1.00 54.10 H new ATOM 0 HG1 THR A 71 -8.381 -1.369 10.854 1.00 64.12 H new ATOM 0 HG21 THR A 71 -8.201 -1.036 8.493 1.00 73.11 H new ATOM 0 HG22 THR A 71 -6.716 -0.255 7.898 1.00 73.11 H new ATOM 0 HG23 THR A 71 -6.656 -1.918 8.527 1.00 73.11 H new ATOM 987 N ASN A 72 -5.019 -2.610 10.769 1.00 41.11 N ATOM 988 CA ASN A 72 -4.443 -3.939 10.601 1.00 60.21 C ATOM 989 C ASN A 72 -4.504 -4.378 9.141 1.00 65.22 C ATOM 990 O ASN A 72 -5.466 -4.082 8.432 1.00 71.42 O ATOM 991 CB ASN A 72 -5.180 -4.951 11.481 1.00 3.11 C ATOM 992 CG ASN A 72 -4.347 -6.187 11.762 1.00 34.14 C ATOM 993 OD1 ASN A 72 -3.318 -6.413 11.126 1.00 74.52 O ATOM 994 ND2 ASN A 72 -4.789 -6.992 12.721 1.00 51.22 N ATOM 0 H ASN A 72 -5.709 -2.540 11.517 1.00 41.11 H new ATOM 0 HA ASN A 72 -3.397 -3.896 10.905 1.00 60.21 H new ATOM 0 HB2 ASN A 72 -5.453 -4.478 12.424 1.00 3.11 H new ATOM 0 HB3 ASN A 72 -6.109 -5.245 10.992 1.00 3.11 H new ATOM 0 HD21 ASN A 72 -4.270 -7.838 12.956 1.00 51.22 H new ATOM 0 HD22 ASN A 72 -5.648 -6.765 13.222 1.00 51.22 H new ATOM 1000 N PHE A 73 -3.471 -5.086 8.698 1.00 33.51 N ATOM 1001 CA PHE A 73 -3.405 -5.567 7.323 1.00 51.41 C ATOM 1002 C PHE A 73 -3.253 -7.084 7.284 1.00 44.55 C ATOM 1003 O PHE A 73 -3.294 -7.696 6.216 1.00 51.51 O ATOM 1004 CB PHE A 73 -2.239 -4.906 6.585 1.00 44.05 C ATOM 1005 CG PHE A 73 -2.516 -3.489 6.173 1.00 10.32 C ATOM 1006 CD1 PHE A 73 -3.513 -3.203 5.254 1.00 2.44 C ATOM 1007 CD2 PHE A 73 -1.780 -2.443 6.705 1.00 45.51 C ATOM 1008 CE1 PHE A 73 -3.768 -1.899 4.872 1.00 61.24 C ATOM 1009 CE2 PHE A 73 -2.032 -1.137 6.327 1.00 1.13 C ATOM 1010 CZ PHE A 73 -3.029 -0.865 5.410 1.00 22.32 C ATOM 0 H PHE A 73 -2.667 -5.340 9.272 1.00 33.51 H new ATOM 0 HA PHE A 73 -4.338 -5.301 6.826 1.00 51.41 H new ATOM 0 HB2 PHE A 73 -1.357 -4.924 7.226 1.00 44.05 H new ATOM 0 HB3 PHE A 73 -2.001 -5.494 5.698 1.00 44.05 H new ATOM 0 HD1 PHE A 73 -4.097 -4.007 4.832 1.00 2.44 H new ATOM 0 HD2 PHE A 73 -1.000 -2.650 7.423 1.00 45.51 H new ATOM 0 HE1 PHE A 73 -4.546 -1.689 4.152 1.00 61.24 H new ATOM 0 HE2 PHE A 73 -1.450 -0.330 6.748 1.00 1.13 H new ATOM 0 HZ PHE A 73 -3.230 0.154 5.115 1.00 22.32 H new ATOM 1019 N ALA A 74 -3.077 -7.686 8.455 1.00 73.15 N ATOM 1020 CA ALA A 74 -2.921 -9.132 8.556 1.00 51.34 C ATOM 1021 C ALA A 74 -4.218 -9.851 8.199 1.00 55.52 C ATOM 1022 O ALA A 74 -4.258 -11.079 8.120 1.00 43.55 O ATOM 1023 CB ALA A 74 -2.470 -9.518 9.956 1.00 21.20 C ATOM 0 H ALA A 74 -3.039 -7.195 9.348 1.00 73.15 H new ATOM 0 HA ALA A 74 -2.157 -9.440 7.842 1.00 51.34 H new ATOM 0 HB1 ALA A 74 -2.358 -10.601 10.017 1.00 21.20 H new ATOM 0 HB2 ALA A 74 -1.515 -9.041 10.175 1.00 21.20 H new ATOM 0 HB3 ALA A 74 -3.214 -9.189 10.682 1.00 21.20 H new ATOM 1029 N THR A 75 -5.278 -9.078 7.984 1.00 13.31 N ATOM 1030 CA THR A 75 -6.578 -9.641 7.638 1.00 11.35 C ATOM 1031 C THR A 75 -7.252 -8.830 6.538 1.00 13.44 C ATOM 1032 O THR A 75 -8.428 -9.032 6.237 1.00 63.43 O ATOM 1033 CB THR A 75 -7.509 -9.698 8.863 1.00 54.11 C ATOM 1034 OG1 THR A 75 -8.777 -10.248 8.489 1.00 23.30 O ATOM 1035 CG2 THR A 75 -7.708 -8.312 9.458 1.00 45.42 C ATOM 0 H THR A 75 -5.262 -8.060 8.043 1.00 13.31 H new ATOM 0 HA THR A 75 -6.399 -10.655 7.280 1.00 11.35 H new ATOM 0 HB THR A 75 -7.044 -10.335 9.615 1.00 54.11 H new ATOM 0 HG1 THR A 75 -9.129 -9.762 7.714 1.00 23.30 H new ATOM 0 HG21 THR A 75 -8.369 -8.378 10.322 1.00 45.42 H new ATOM 0 HG22 THR A 75 -6.745 -7.908 9.769 1.00 45.42 H new ATOM 0 HG23 THR A 75 -8.153 -7.655 8.710 1.00 45.42 H new ATOM 1043 N ALA A 76 -6.500 -7.912 5.941 1.00 4.43 N ATOM 1044 CA ALA A 76 -7.026 -7.071 4.871 1.00 25.45 C ATOM 1045 C ALA A 76 -6.480 -7.504 3.515 1.00 63.33 C ATOM 1046 O ALA A 76 -5.616 -8.378 3.431 1.00 4.54 O ATOM 1047 CB ALA A 76 -6.692 -5.611 5.134 1.00 14.12 C ATOM 0 H ALA A 76 -5.525 -7.731 6.179 1.00 4.43 H new ATOM 0 HA ALA A 76 -8.110 -7.186 4.852 1.00 25.45 H new ATOM 0 HB1 ALA A 76 -7.091 -4.996 4.328 1.00 14.12 H new ATOM 0 HB2 ALA A 76 -7.135 -5.301 6.080 1.00 14.12 H new ATOM 0 HB3 ALA A 76 -5.610 -5.488 5.183 1.00 14.12 H new ATOM 1053 N THR A 77 -6.990 -6.889 2.452 1.00 50.13 N ATOM 1054 CA THR A 77 -6.555 -7.211 1.100 1.00 65.24 C ATOM 1055 C THR A 77 -5.959 -5.991 0.407 1.00 35.12 C ATOM 1056 O THR A 77 -6.079 -4.868 0.896 1.00 41.21 O ATOM 1057 CB THR A 77 -7.720 -7.752 0.248 1.00 34.41 C ATOM 1058 OG1 THR A 77 -8.930 -7.061 0.579 1.00 12.53 O ATOM 1059 CG2 THR A 77 -7.906 -9.244 0.472 1.00 64.44 C ATOM 0 H THR A 77 -7.706 -6.164 2.503 1.00 50.13 H new ATOM 0 HA THR A 77 -5.791 -7.983 1.191 1.00 65.24 H new ATOM 0 HB THR A 77 -7.482 -7.585 -0.802 1.00 34.41 H new ATOM 0 HG1 THR A 77 -9.128 -7.186 1.531 1.00 12.53 H new ATOM 0 HG21 THR A 77 -8.734 -9.603 -0.140 1.00 64.44 H new ATOM 0 HG22 THR A 77 -6.993 -9.770 0.193 1.00 64.44 H new ATOM 0 HG23 THR A 77 -8.125 -9.430 1.524 1.00 64.44 H new ATOM 1067 N VAL A 78 -5.315 -6.219 -0.733 1.00 72.32 N ATOM 1068 CA VAL A 78 -4.701 -5.138 -1.494 1.00 12.34 C ATOM 1069 C VAL A 78 -5.704 -4.023 -1.773 1.00 54.01 C ATOM 1070 O VAL A 78 -5.353 -2.843 -1.774 1.00 34.43 O ATOM 1071 CB VAL A 78 -4.130 -5.645 -2.831 1.00 50.50 C ATOM 1072 CG1 VAL A 78 -3.265 -6.876 -2.609 1.00 74.40 C ATOM 1073 CG2 VAL A 78 -5.254 -5.943 -3.812 1.00 73.00 C ATOM 0 H VAL A 78 -5.205 -7.143 -1.150 1.00 72.32 H new ATOM 0 HA VAL A 78 -3.886 -4.747 -0.885 1.00 12.34 H new ATOM 0 HB VAL A 78 -3.504 -4.862 -3.259 1.00 50.50 H new ATOM 0 HG11 VAL A 78 -2.870 -7.220 -3.565 1.00 74.40 H new ATOM 0 HG12 VAL A 78 -2.439 -6.625 -1.944 1.00 74.40 H new ATOM 0 HG13 VAL A 78 -3.866 -7.666 -2.159 1.00 74.40 H new ATOM 0 HG21 VAL A 78 -4.832 -6.300 -4.751 1.00 73.00 H new ATOM 0 HG22 VAL A 78 -5.908 -6.708 -3.394 1.00 73.00 H new ATOM 0 HG23 VAL A 78 -5.828 -5.035 -3.994 1.00 73.00 H new ATOM 1083 N ARG A 79 -6.955 -4.406 -2.008 1.00 40.31 N ATOM 1084 CA ARG A 79 -8.010 -3.439 -2.289 1.00 22.33 C ATOM 1085 C ARG A 79 -8.304 -2.584 -1.061 1.00 20.12 C ATOM 1086 O ARG A 79 -8.540 -1.381 -1.173 1.00 70.22 O ATOM 1087 CB ARG A 79 -9.283 -4.158 -2.741 1.00 24.31 C ATOM 1088 CG ARG A 79 -10.477 -3.234 -2.911 1.00 23.02 C ATOM 1089 CD ARG A 79 -11.362 -3.235 -1.675 1.00 4.31 C ATOM 1090 NE ARG A 79 -12.416 -2.226 -1.756 1.00 32.02 N ATOM 1091 CZ ARG A 79 -13.224 -1.925 -0.745 1.00 3.32 C ATOM 1092 NH1 ARG A 79 -13.100 -2.552 0.416 1.00 11.00 N ATOM 1093 NH2 ARG A 79 -14.158 -0.995 -0.896 1.00 1.11 N ATOM 0 H ARG A 79 -7.263 -5.378 -2.009 1.00 40.31 H new ATOM 0 HA ARG A 79 -7.666 -2.786 -3.091 1.00 22.33 H new ATOM 0 HB2 ARG A 79 -9.088 -4.664 -3.687 1.00 24.31 H new ATOM 0 HB3 ARG A 79 -9.532 -4.930 -2.013 1.00 24.31 H new ATOM 0 HG2 ARG A 79 -10.129 -2.220 -3.110 1.00 23.02 H new ATOM 0 HG3 ARG A 79 -11.060 -3.546 -3.777 1.00 23.02 H new ATOM 0 HD2 ARG A 79 -11.812 -4.220 -1.552 1.00 4.31 H new ATOM 0 HD3 ARG A 79 -10.751 -3.051 -0.791 1.00 4.31 H new ATOM 0 HE ARG A 79 -12.538 -1.726 -2.636 1.00 32.02 H new ATOM 0 HH11 ARG A 79 -12.383 -3.268 0.535 1.00 11.00 H new ATOM 0 HH12 ARG A 79 -13.722 -2.319 1.190 1.00 11.00 H new ATOM 0 HH21 ARG A 79 -14.256 -0.511 -1.788 1.00 1.11 H new ATOM 0 HH22 ARG A 79 -14.778 -0.764 -0.120 1.00 1.11 H new ATOM 1104 N GLU A 80 -8.290 -3.214 0.109 1.00 34.35 N ATOM 1105 CA GLU A 80 -8.557 -2.510 1.359 1.00 70.10 C ATOM 1106 C GLU A 80 -7.483 -1.460 1.631 1.00 13.12 C ATOM 1107 O GLU A 80 -7.790 -0.310 1.943 1.00 33.04 O ATOM 1108 CB GLU A 80 -8.625 -3.500 2.523 1.00 54.41 C ATOM 1109 CG GLU A 80 -9.866 -4.375 2.504 1.00 74.53 C ATOM 1110 CD GLU A 80 -9.813 -5.485 3.538 1.00 42.35 C ATOM 1111 OE1 GLU A 80 -9.658 -5.172 4.737 1.00 30.40 O ATOM 1112 OE2 GLU A 80 -9.928 -6.665 3.146 1.00 13.51 O ATOM 0 H GLU A 80 -8.097 -4.210 0.218 1.00 34.35 H new ATOM 0 HA GLU A 80 -9.519 -2.006 1.265 1.00 70.10 H new ATOM 0 HB2 GLU A 80 -7.741 -4.137 2.500 1.00 54.41 H new ATOM 0 HB3 GLU A 80 -8.595 -2.947 3.462 1.00 54.41 H new ATOM 0 HG2 GLU A 80 -10.745 -3.756 2.685 1.00 74.53 H new ATOM 0 HG3 GLU A 80 -9.983 -4.812 1.512 1.00 74.53 H new ATOM 1117 N MET A 81 -6.223 -1.866 1.513 1.00 42.12 N ATOM 1118 CA MET A 81 -5.104 -0.960 1.746 1.00 73.44 C ATOM 1119 C MET A 81 -5.108 0.181 0.735 1.00 42.52 C ATOM 1120 O MET A 81 -4.842 1.331 1.082 1.00 44.11 O ATOM 1121 CB MET A 81 -3.780 -1.722 1.668 1.00 10.14 C ATOM 1122 CG MET A 81 -2.557 -0.835 1.845 1.00 63.13 C ATOM 1123 SD MET A 81 -1.074 -1.541 1.100 1.00 51.03 S ATOM 1124 CE MET A 81 -0.586 -2.713 2.363 1.00 73.25 C ATOM 0 H MET A 81 -5.951 -2.815 1.258 1.00 42.12 H new ATOM 0 HA MET A 81 -5.213 -0.536 2.744 1.00 73.44 H new ATOM 0 HB2 MET A 81 -3.771 -2.497 2.434 1.00 10.14 H new ATOM 0 HB3 MET A 81 -3.717 -2.226 0.704 1.00 10.14 H new ATOM 0 HG2 MET A 81 -2.753 0.141 1.400 1.00 63.13 H new ATOM 0 HG3 MET A 81 -2.382 -0.671 2.908 1.00 63.13 H new ATOM 0 HE1 MET A 81 0.397 -2.443 2.750 1.00 73.25 H new ATOM 0 HE2 MET A 81 -1.313 -2.696 3.175 1.00 73.25 H new ATOM 0 HE3 MET A 81 -0.544 -3.714 1.934 1.00 73.25 H new ATOM 1132 N ALA A 82 -5.412 -0.145 -0.518 1.00 34.15 N ATOM 1133 CA ALA A 82 -5.452 0.854 -1.579 1.00 34.22 C ATOM 1134 C ALA A 82 -6.624 1.811 -1.387 1.00 24.11 C ATOM 1135 O ALA A 82 -6.457 3.029 -1.439 1.00 23.12 O ATOM 1136 CB ALA A 82 -5.537 0.177 -2.938 1.00 63.44 C ATOM 0 H ALA A 82 -5.634 -1.093 -0.822 1.00 34.15 H new ATOM 0 HA ALA A 82 -4.531 1.435 -1.533 1.00 34.22 H new ATOM 0 HB1 ALA A 82 -5.566 0.935 -3.721 1.00 63.44 H new ATOM 0 HB2 ALA A 82 -4.665 -0.460 -3.082 1.00 63.44 H new ATOM 0 HB3 ALA A 82 -6.441 -0.430 -2.986 1.00 63.44 H new ATOM 1142 N GLU A 83 -7.810 1.250 -1.168 1.00 23.02 N ATOM 1143 CA GLU A 83 -9.010 2.056 -0.971 1.00 22.31 C ATOM 1144 C GLU A 83 -8.851 2.983 0.230 1.00 41.34 C ATOM 1145 O GLU A 83 -9.338 4.114 0.222 1.00 21.34 O ATOM 1146 CB GLU A 83 -10.229 1.152 -0.776 1.00 55.21 C ATOM 1147 CG GLU A 83 -10.941 0.801 -2.071 1.00 11.34 C ATOM 1148 CD GLU A 83 -11.497 2.021 -2.781 1.00 22.02 C ATOM 1149 OE1 GLU A 83 -11.390 3.132 -2.221 1.00 70.01 O ATOM 1150 OE2 GLU A 83 -12.038 1.864 -3.895 1.00 2.53 O ATOM 0 H GLU A 83 -7.965 0.243 -1.123 1.00 23.02 H new ATOM 0 HA GLU A 83 -9.158 2.667 -1.861 1.00 22.31 H new ATOM 0 HB2 GLU A 83 -9.913 0.232 -0.284 1.00 55.21 H new ATOM 0 HB3 GLU A 83 -10.933 1.646 -0.107 1.00 55.21 H new ATOM 0 HG2 GLU A 83 -10.247 0.284 -2.734 1.00 11.34 H new ATOM 0 HG3 GLU A 83 -11.754 0.107 -1.858 1.00 11.34 H new ATOM 1155 N ALA A 84 -8.168 2.496 1.261 1.00 51.52 N ATOM 1156 CA ALA A 84 -7.945 3.281 2.468 1.00 20.42 C ATOM 1157 C ALA A 84 -6.964 4.420 2.209 1.00 53.53 C ATOM 1158 O ALA A 84 -7.150 5.535 2.696 1.00 13.40 O ATOM 1159 CB ALA A 84 -7.435 2.389 3.590 1.00 71.44 C ATOM 0 H ALA A 84 -7.760 1.562 1.284 1.00 51.52 H new ATOM 0 HA ALA A 84 -8.897 3.718 2.769 1.00 20.42 H new ATOM 0 HB1 ALA A 84 -7.273 2.988 4.486 1.00 71.44 H new ATOM 0 HB2 ALA A 84 -8.171 1.613 3.801 1.00 71.44 H new ATOM 0 HB3 ALA A 84 -6.496 1.926 3.288 1.00 71.44 H new ATOM 1165 N LEU A 85 -5.920 4.133 1.439 1.00 30.50 N ATOM 1166 CA LEU A 85 -4.909 5.132 1.115 1.00 15.04 C ATOM 1167 C LEU A 85 -5.466 6.178 0.155 1.00 64.14 C ATOM 1168 O LEU A 85 -5.262 7.377 0.341 1.00 44.03 O ATOM 1169 CB LEU A 85 -3.679 4.463 0.502 1.00 24.32 C ATOM 1170 CG LEU A 85 -2.637 3.939 1.490 1.00 23.35 C ATOM 1171 CD1 LEU A 85 -1.516 3.221 0.755 1.00 44.20 C ATOM 1172 CD2 LEU A 85 -2.080 5.077 2.333 1.00 62.13 C ATOM 0 H LEU A 85 -5.752 3.215 1.027 1.00 30.50 H new ATOM 0 HA LEU A 85 -4.619 5.632 2.039 1.00 15.04 H new ATOM 0 HB2 LEU A 85 -4.014 3.631 -0.117 1.00 24.32 H new ATOM 0 HB3 LEU A 85 -3.194 5.179 -0.161 1.00 24.32 H new ATOM 0 HG LEU A 85 -3.124 3.225 2.155 1.00 23.35 H new ATOM 0 HD11 LEU A 85 -0.784 2.855 1.475 1.00 44.20 H new ATOM 0 HD12 LEU A 85 -1.927 2.380 0.197 1.00 44.20 H new ATOM 0 HD13 LEU A 85 -1.032 3.912 0.065 1.00 44.20 H new ATOM 0 HD21 LEU A 85 -1.340 4.685 3.030 1.00 62.13 H new ATOM 0 HD22 LEU A 85 -1.611 5.815 1.683 1.00 62.13 H new ATOM 0 HD23 LEU A 85 -2.890 5.547 2.890 1.00 62.13 H new ATOM 1183 N GLU A 86 -6.172 5.714 -0.872 1.00 42.11 N ATOM 1184 CA GLU A 86 -6.759 6.610 -1.861 1.00 1.20 C ATOM 1185 C GLU A 86 -7.815 7.508 -1.224 1.00 53.11 C ATOM 1186 O GLU A 86 -7.987 8.660 -1.621 1.00 40.20 O ATOM 1187 CB GLU A 86 -7.382 5.806 -3.004 1.00 41.24 C ATOM 1188 CG GLU A 86 -8.799 5.338 -2.718 1.00 13.12 C ATOM 1189 CD GLU A 86 -9.413 4.588 -3.884 1.00 44.41 C ATOM 1190 OE1 GLU A 86 -8.739 3.690 -4.433 1.00 54.43 O ATOM 1191 OE2 GLU A 86 -10.566 4.899 -4.249 1.00 43.22 O ATOM 0 H GLU A 86 -6.351 4.724 -1.040 1.00 42.11 H new ATOM 0 HA GLU A 86 -5.963 7.240 -2.259 1.00 1.20 H new ATOM 0 HB2 GLU A 86 -7.386 6.417 -3.907 1.00 41.24 H new ATOM 0 HB3 GLU A 86 -6.756 4.938 -3.209 1.00 41.24 H new ATOM 0 HG2 GLU A 86 -8.794 4.694 -1.839 1.00 13.12 H new ATOM 0 HG3 GLU A 86 -9.421 6.200 -2.478 1.00 13.12 H new ATOM 1196 N ALA A 87 -8.518 6.972 -0.231 1.00 41.13 N ATOM 1197 CA ALA A 87 -9.556 7.725 0.463 1.00 42.31 C ATOM 1198 C ALA A 87 -8.960 8.897 1.236 1.00 24.52 C ATOM 1199 O ALA A 87 -9.448 10.023 1.148 1.00 43.12 O ATOM 1200 CB ALA A 87 -10.332 6.812 1.401 1.00 4.42 C ATOM 0 H ALA A 87 -8.388 6.020 0.111 1.00 41.13 H new ATOM 0 HA ALA A 87 -10.240 8.127 -0.284 1.00 42.31 H new ATOM 0 HB1 ALA A 87 -11.104 7.387 1.913 1.00 4.42 H new ATOM 0 HB2 ALA A 87 -10.797 6.011 0.827 1.00 4.42 H new ATOM 0 HB3 ALA A 87 -9.652 6.383 2.137 1.00 4.42 H new ATOM 1206 N ARG A 88 -7.902 8.623 1.992 1.00 13.44 N ATOM 1207 CA ARG A 88 -7.240 9.656 2.781 1.00 75.33 C ATOM 1208 C ARG A 88 -6.771 10.803 1.892 1.00 13.32 C ATOM 1209 O ARG A 88 -7.215 11.941 2.046 1.00 23.20 O ATOM 1210 CB ARG A 88 -6.050 9.064 3.539 1.00 32.12 C ATOM 1211 CG ARG A 88 -6.367 7.757 4.248 1.00 42.52 C ATOM 1212 CD ARG A 88 -6.142 7.868 5.747 1.00 20.43 C ATOM 1213 NE ARG A 88 -6.812 9.034 6.317 1.00 20.45 N ATOM 1214 CZ ARG A 88 -6.615 9.459 7.560 1.00 3.15 C ATOM 1215 NH1 ARG A 88 -5.773 8.818 8.359 1.00 22.03 N ATOM 1216 NH2 ARG A 88 -7.262 10.529 8.006 1.00 31.53 N ATOM 0 H ARG A 88 -7.485 7.696 2.075 1.00 13.44 H new ATOM 0 HA ARG A 88 -7.961 10.048 3.499 1.00 75.33 H new ATOM 0 HB2 ARG A 88 -5.231 8.898 2.839 1.00 32.12 H new ATOM 0 HB3 ARG A 88 -5.700 9.790 4.273 1.00 32.12 H new ATOM 0 HG2 ARG A 88 -7.403 7.479 4.054 1.00 42.52 H new ATOM 0 HG3 ARG A 88 -5.742 6.961 3.843 1.00 42.52 H new ATOM 0 HD2 ARG A 88 -6.507 6.965 6.236 1.00 20.43 H new ATOM 0 HD3 ARG A 88 -5.073 7.930 5.949 1.00 20.43 H new ATOM 0 HE ARG A 88 -7.467 9.550 5.729 1.00 20.45 H new ATOM 0 HH11 ARG A 88 -5.274 7.996 8.020 1.00 22.03 H new ATOM 0 HH12 ARG A 88 -5.624 9.147 9.313 1.00 22.03 H new ATOM 0 HH21 ARG A 88 -7.910 11.025 7.394 1.00 31.53 H new ATOM 0 HH22 ARG A 88 -7.111 10.855 8.960 1.00 31.53 H new ATOM 1227 N GLU A 89 -5.872 10.496 0.963 1.00 13.22 N ATOM 1228 CA GLU A 89 -5.342 11.503 0.050 1.00 73.53 C ATOM 1229 C GLU A 89 -6.471 12.210 -0.694 1.00 13.02 C ATOM 1230 O GLU A 89 -6.372 13.396 -1.011 1.00 75.12 O ATOM 1231 CB GLU A 89 -4.381 10.860 -0.951 1.00 31.21 C ATOM 1232 CG GLU A 89 -4.910 9.574 -1.564 1.00 34.13 C ATOM 1233 CD GLU A 89 -5.170 9.702 -3.051 1.00 61.14 C ATOM 1234 OE1 GLU A 89 -4.383 10.386 -3.736 1.00 10.53 O ATOM 1235 OE2 GLU A 89 -6.163 9.115 -3.531 1.00 41.14 O ATOM 0 H GLU A 89 -5.495 9.559 0.822 1.00 13.22 H new ATOM 0 HA GLU A 89 -4.800 12.242 0.640 1.00 73.53 H new ATOM 0 HB2 GLU A 89 -4.170 11.573 -1.748 1.00 31.21 H new ATOM 0 HB3 GLU A 89 -3.435 10.652 -0.451 1.00 31.21 H new ATOM 0 HG2 GLU A 89 -4.192 8.772 -1.392 1.00 34.13 H new ATOM 0 HG3 GLU A 89 -5.834 9.289 -1.060 1.00 34.13 H new ATOM 1240 N ARG A 90 -7.543 11.474 -0.970 1.00 15.12 N ATOM 1241 CA ARG A 90 -8.690 12.029 -1.678 1.00 15.01 C ATOM 1242 C ARG A 90 -9.345 13.140 -0.864 1.00 54.11 C ATOM 1243 O ARG A 90 -9.888 14.094 -1.422 1.00 33.24 O ATOM 1244 CB ARG A 90 -9.711 10.930 -1.978 1.00 13.33 C ATOM 1245 CG ARG A 90 -11.054 11.462 -2.453 1.00 31.41 C ATOM 1246 CD ARG A 90 -12.133 11.270 -1.397 1.00 42.41 C ATOM 1247 NE ARG A 90 -12.324 12.470 -0.587 1.00 74.22 N ATOM 1248 CZ ARG A 90 -13.162 12.536 0.442 1.00 30.33 C ATOM 1249 NH1 ARG A 90 -13.881 11.476 0.784 1.00 2.40 N ATOM 1250 NH2 ARG A 90 -13.279 13.664 1.132 1.00 71.34 N ATOM 0 H ARG A 90 -7.641 10.492 -0.714 1.00 15.12 H new ATOM 0 HA ARG A 90 -8.336 12.452 -2.618 1.00 15.01 H new ATOM 0 HB2 ARG A 90 -9.303 10.264 -2.739 1.00 13.33 H new ATOM 0 HB3 ARG A 90 -9.863 10.332 -1.080 1.00 13.33 H new ATOM 0 HG2 ARG A 90 -10.963 12.521 -2.694 1.00 31.41 H new ATOM 0 HG3 ARG A 90 -11.346 10.951 -3.370 1.00 31.41 H new ATOM 0 HD2 ARG A 90 -13.073 11.007 -1.882 1.00 42.41 H new ATOM 0 HD3 ARG A 90 -11.863 10.435 -0.750 1.00 42.41 H new ATOM 0 HE ARG A 90 -11.785 13.303 -0.824 1.00 74.22 H new ATOM 0 HH11 ARG A 90 -13.792 10.607 0.257 1.00 2.40 H new ATOM 0 HH12 ARG A 90 -14.524 11.529 1.574 1.00 2.40 H new ATOM 0 HH21 ARG A 90 -12.726 14.480 0.872 1.00 71.34 H new ATOM 0 HH22 ARG A 90 -13.922 13.714 1.922 1.00 71.34 H new ATOM 1261 N GLU A 91 -9.293 13.009 0.458 1.00 30.32 N ATOM 1262 CA GLU A 91 -9.882 14.002 1.348 1.00 53.25 C ATOM 1263 C GLU A 91 -8.835 15.011 1.809 1.00 20.01 C ATOM 1264 O GLU A 91 -9.170 16.107 2.260 1.00 4.11 O ATOM 1265 CB GLU A 91 -10.515 13.318 2.563 1.00 43.25 C ATOM 1266 CG GLU A 91 -11.264 14.274 3.478 1.00 3.01 C ATOM 1267 CD GLU A 91 -12.374 13.591 4.251 1.00 72.22 C ATOM 1268 OE1 GLU A 91 -12.171 12.440 4.692 1.00 4.33 O ATOM 1269 OE2 GLU A 91 -13.448 14.208 4.417 1.00 14.04 O ATOM 0 H GLU A 91 -8.849 12.225 0.936 1.00 30.32 H new ATOM 0 HA GLU A 91 -10.655 14.535 0.794 1.00 53.25 H new ATOM 0 HB2 GLU A 91 -11.202 12.546 2.218 1.00 43.25 H new ATOM 0 HB3 GLU A 91 -9.734 12.817 3.135 1.00 43.25 H new ATOM 0 HG2 GLU A 91 -10.562 14.725 4.179 1.00 3.01 H new ATOM 0 HG3 GLU A 91 -11.686 15.085 2.884 1.00 3.01 H new ATOM 1274 N ALA A 92 -7.566 14.634 1.691 1.00 72.33 N ATOM 1275 CA ALA A 92 -6.470 15.505 2.094 1.00 2.25 C ATOM 1276 C ALA A 92 -5.913 16.274 0.900 1.00 64.40 C ATOM 1277 O ALA A 92 -6.118 15.904 -0.257 1.00 13.52 O ATOM 1278 CB ALA A 92 -5.369 14.695 2.762 1.00 23.34 C ATOM 0 H ALA A 92 -7.272 13.731 1.319 1.00 72.33 H new ATOM 0 HA ALA A 92 -6.859 16.229 2.811 1.00 2.25 H new ATOM 0 HB1 ALA A 92 -4.557 15.359 3.058 1.00 23.34 H new ATOM 0 HB2 ALA A 92 -5.769 14.196 3.645 1.00 23.34 H new ATOM 0 HB3 ALA A 92 -4.991 13.949 2.063 1.00 23.34 H new ATOM 1284 N PRO A 93 -5.192 17.369 1.184 1.00 43.22 N ATOM 1285 CA PRO A 93 -4.591 18.212 0.145 1.00 52.02 C ATOM 1286 C PRO A 93 -3.437 17.518 -0.569 1.00 51.03 C ATOM 1287 O PRO A 93 -2.304 17.517 -0.086 1.00 54.41 O ATOM 1288 CB PRO A 93 -4.084 19.427 0.926 1.00 50.11 C ATOM 1289 CG PRO A 93 -3.861 18.923 2.310 1.00 22.15 C ATOM 1290 CD PRO A 93 -4.908 17.867 2.540 1.00 2.32 C ATOM 0 HA PRO A 93 -5.303 18.460 -0.642 1.00 52.02 H new ATOM 0 HB2 PRO A 93 -3.163 19.819 0.494 1.00 50.11 H new ATOM 0 HB3 PRO A 93 -4.812 20.238 0.913 1.00 50.11 H new ATOM 0 HG2 PRO A 93 -2.859 18.509 2.418 1.00 22.15 H new ATOM 0 HG3 PRO A 93 -3.953 19.729 3.038 1.00 22.15 H new ATOM 0 HD2 PRO A 93 -4.542 17.073 3.191 1.00 2.32 H new ATOM 0 HD3 PRO A 93 -5.800 18.281 3.011 1.00 2.32 H new ATOM 1295 N HIS A 94 -3.731 16.927 -1.724 1.00 53.10 N ATOM 1296 CA HIS A 94 -2.717 16.230 -2.506 1.00 42.23 C ATOM 1297 C HIS A 94 -1.607 17.186 -2.931 1.00 33.44 C ATOM 1298 O HIS A 94 -1.721 18.401 -2.763 1.00 52.20 O ATOM 1299 CB HIS A 94 -3.348 15.585 -3.740 1.00 73.34 C ATOM 1300 CG HIS A 94 -2.651 14.337 -4.187 1.00 3.02 C ATOM 1301 ND1 HIS A 94 -2.088 14.197 -5.437 1.00 4.42 N ATOM 1302 CD2 HIS A 94 -2.424 13.169 -3.542 1.00 15.14 C ATOM 1303 CE1 HIS A 94 -1.547 12.997 -5.543 1.00 14.12 C ATOM 1304 NE2 HIS A 94 -1.736 12.353 -4.405 1.00 53.33 N ATOM 0 H HIS A 94 -4.663 16.917 -2.138 1.00 53.10 H new ATOM 0 HA HIS A 94 -2.283 15.451 -1.879 1.00 42.23 H new ATOM 0 HB2 HIS A 94 -4.391 15.351 -3.525 1.00 73.34 H new ATOM 0 HB3 HIS A 94 -3.345 16.306 -4.558 1.00 73.34 H new ATOM 0 HD2 HIS A 94 -2.728 12.924 -2.535 1.00 15.14 H new ATOM 0 HE1 HIS A 94 -1.037 12.608 -6.412 1.00 14.12 H new ATOM 0 HE2 HIS A 94 -1.422 11.404 -4.201 1.00 53.33 H new ATOM 1311 N LEU A 95 -0.531 16.630 -3.478 1.00 42.33 N ATOM 1312 CA LEU A 95 0.601 17.433 -3.926 1.00 24.02 C ATOM 1313 C LEU A 95 0.247 18.220 -5.185 1.00 30.30 C ATOM 1314 O LEU A 95 -0.903 18.226 -5.621 1.00 32.22 O ATOM 1315 CB LEU A 95 1.812 16.538 -4.195 1.00 61.22 C ATOM 1316 CG LEU A 95 1.668 15.541 -5.346 1.00 54.21 C ATOM 1317 CD1 LEU A 95 2.788 15.728 -6.357 1.00 10.34 C ATOM 1318 CD2 LEU A 95 1.656 14.114 -4.818 1.00 52.25 C ATOM 0 H LEU A 95 -0.419 15.626 -3.622 1.00 42.33 H new ATOM 0 HA LEU A 95 0.848 18.141 -3.135 1.00 24.02 H new ATOM 0 HB2 LEU A 95 2.672 17.176 -4.399 1.00 61.22 H new ATOM 0 HB3 LEU A 95 2.037 15.982 -3.285 1.00 61.22 H new ATOM 0 HG LEU A 95 0.719 15.729 -5.847 1.00 54.21 H new ATOM 0 HD11 LEU A 95 2.669 15.010 -7.169 1.00 10.34 H new ATOM 0 HD12 LEU A 95 2.750 16.740 -6.759 1.00 10.34 H new ATOM 0 HD13 LEU A 95 3.749 15.568 -5.869 1.00 10.34 H new ATOM 0 HD21 LEU A 95 1.553 13.419 -5.651 1.00 52.25 H new ATOM 0 HD22 LEU A 95 2.589 13.913 -4.291 1.00 52.25 H new ATOM 0 HD23 LEU A 95 0.818 13.987 -4.133 1.00 52.25 H new ATOM 1329 N GLU A 96 1.245 18.882 -5.763 1.00 30.23 N ATOM 1330 CA GLU A 96 1.038 19.670 -6.971 1.00 42.22 C ATOM 1331 C GLU A 96 0.701 18.771 -8.158 1.00 33.01 C ATOM 1332 O GLU A 96 1.592 18.290 -8.860 1.00 35.13 O ATOM 1333 CB GLU A 96 2.285 20.500 -7.285 1.00 32.21 C ATOM 1334 CG GLU A 96 1.990 21.771 -8.065 1.00 60.32 C ATOM 1335 CD GLU A 96 2.187 23.024 -7.233 1.00 43.15 C ATOM 1336 OE1 GLU A 96 1.468 23.187 -6.226 1.00 52.43 O ATOM 1337 OE2 GLU A 96 3.060 23.841 -7.592 1.00 12.44 O ATOM 0 H GLU A 96 2.203 18.888 -5.414 1.00 30.23 H new ATOM 0 HA GLU A 96 0.197 20.341 -6.796 1.00 42.22 H new ATOM 0 HB2 GLU A 96 2.780 20.764 -6.351 1.00 32.21 H new ATOM 0 HB3 GLU A 96 2.984 19.888 -7.855 1.00 32.21 H new ATOM 0 HG2 GLU A 96 2.638 21.815 -8.940 1.00 60.32 H new ATOM 0 HG3 GLU A 96 0.963 21.739 -8.430 1.00 60.32 H new ATOM 1342 N HIS A 97 -0.591 18.547 -8.374 1.00 30.01 N ATOM 1343 CA HIS A 97 -1.046 17.705 -9.475 1.00 74.03 C ATOM 1344 C HIS A 97 -2.569 17.725 -9.580 1.00 33.11 C ATOM 1345 O HIS A 97 -3.260 18.144 -8.651 1.00 33.12 O ATOM 1346 CB HIS A 97 -0.557 16.270 -9.283 1.00 23.50 C ATOM 1347 CG HIS A 97 -0.359 15.528 -10.569 1.00 43.13 C ATOM 1348 ND1 HIS A 97 -0.924 14.295 -10.821 1.00 51.43 N ATOM 1349 CD2 HIS A 97 0.343 15.851 -11.680 1.00 2.41 C ATOM 1350 CE1 HIS A 97 -0.575 13.892 -12.031 1.00 73.34 C ATOM 1351 NE2 HIS A 97 0.193 14.819 -12.573 1.00 15.24 N ATOM 0 H HIS A 97 -1.341 18.936 -7.802 1.00 30.01 H new ATOM 0 HA HIS A 97 -0.629 18.103 -10.400 1.00 74.03 H new ATOM 0 HB2 HIS A 97 0.384 16.286 -8.734 1.00 23.50 H new ATOM 0 HB3 HIS A 97 -1.276 15.729 -8.668 1.00 23.50 H new ATOM 0 HD2 HIS A 97 0.915 16.754 -11.835 1.00 2.41 H new ATOM 0 HE1 HIS A 97 -0.868 12.963 -12.497 1.00 73.34 H new ATOM 0 HE2 HIS A 97 0.608 14.776 -13.504 1.00 15.24 H new ATOM 1358 N HIS A 98 -3.085 17.271 -10.718 1.00 62.51 N ATOM 1359 CA HIS A 98 -4.525 17.238 -10.944 1.00 62.41 C ATOM 1360 C HIS A 98 -4.915 16.023 -11.782 1.00 50.23 C ATOM 1361 O HIS A 98 -4.320 15.760 -12.828 1.00 14.44 O ATOM 1362 CB HIS A 98 -4.983 18.520 -11.639 1.00 41.21 C ATOM 1363 CG HIS A 98 -6.472 18.651 -11.734 1.00 55.12 C ATOM 1364 ND1 HIS A 98 -7.265 19.013 -10.665 1.00 50.02 N ATOM 1365 CD2 HIS A 98 -7.313 18.467 -12.778 1.00 12.51 C ATOM 1366 CE1 HIS A 98 -8.529 19.045 -11.048 1.00 73.33 C ATOM 1367 NE2 HIS A 98 -8.585 18.717 -12.326 1.00 0.50 N ATOM 0 H HIS A 98 -2.527 16.921 -11.497 1.00 62.51 H new ATOM 0 HA HIS A 98 -5.019 17.163 -9.975 1.00 62.41 H new ATOM 0 HB2 HIS A 98 -4.585 19.379 -11.098 1.00 41.21 H new ATOM 0 HB3 HIS A 98 -4.559 18.551 -12.643 1.00 41.21 H new ATOM 0 HD2 HIS A 98 -7.035 18.177 -13.781 1.00 12.51 H new ATOM 0 HE1 HIS A 98 -9.373 19.297 -10.423 1.00 73.33 H new ATOM 0 HE2 HIS A 98 -9.435 18.659 -12.886 1.00 0.50 H new ATOM 1374 N HIS A 99 -5.917 15.286 -11.317 1.00 74.25 N ATOM 1375 CA HIS A 99 -6.387 14.099 -12.023 1.00 3.12 C ATOM 1376 C HIS A 99 -7.732 13.634 -11.472 1.00 34.33 C ATOM 1377 O HIS A 99 -7.830 13.219 -10.317 1.00 32.11 O ATOM 1378 CB HIS A 99 -5.359 12.974 -11.911 1.00 72.52 C ATOM 1379 CG HIS A 99 -4.952 12.400 -13.233 1.00 62.33 C ATOM 1380 ND1 HIS A 99 -3.641 12.134 -13.567 1.00 32.03 N ATOM 1381 CD2 HIS A 99 -5.693 12.038 -14.307 1.00 33.30 C ATOM 1382 CE1 HIS A 99 -3.593 11.636 -14.789 1.00 4.25 C ATOM 1383 NE2 HIS A 99 -4.825 11.567 -15.260 1.00 4.22 N ATOM 0 H HIS A 99 -6.420 15.489 -10.453 1.00 74.25 H new ATOM 0 HA HIS A 99 -6.517 14.359 -13.074 1.00 3.12 H new ATOM 0 HB2 HIS A 99 -4.473 13.352 -11.400 1.00 72.52 H new ATOM 0 HB3 HIS A 99 -5.770 12.178 -11.290 1.00 72.52 H new ATOM 0 HD2 HIS A 99 -6.767 12.107 -14.397 1.00 33.30 H new ATOM 0 HE1 HIS A 99 -2.698 11.336 -15.314 1.00 4.25 H new ATOM 0 HE2 HIS A 99 -5.089 11.220 -16.182 1.00 4.22 H new ATOM 1390 N HIS A 100 -8.765 13.708 -12.304 1.00 51.33 N ATOM 1391 CA HIS A 100 -10.103 13.295 -11.899 1.00 51.35 C ATOM 1392 C HIS A 100 -10.612 14.153 -10.745 1.00 11.11 C ATOM 1393 O HIS A 100 -9.866 14.952 -10.177 1.00 40.43 O ATOM 1394 CB HIS A 100 -10.104 11.821 -11.492 1.00 44.35 C ATOM 1395 CG HIS A 100 -9.495 10.916 -12.519 1.00 42.33 C ATOM 1396 ND1 HIS A 100 -10.059 10.697 -13.758 1.00 50.30 N ATOM 1397 CD2 HIS A 100 -8.364 10.174 -12.485 1.00 62.33 C ATOM 1398 CE1 HIS A 100 -9.302 9.857 -14.442 1.00 11.52 C ATOM 1399 NE2 HIS A 100 -8.267 9.526 -13.692 1.00 25.41 N ATOM 0 H HIS A 100 -8.701 14.050 -13.263 1.00 51.33 H new ATOM 0 HA HIS A 100 -10.770 13.430 -12.750 1.00 51.35 H new ATOM 0 HB2 HIS A 100 -9.560 11.711 -10.554 1.00 44.35 H new ATOM 0 HB3 HIS A 100 -11.130 11.505 -11.304 1.00 44.35 H new ATOM 0 HD2 HIS A 100 -7.668 10.104 -11.662 1.00 62.33 H new ATOM 0 HE1 HIS A 100 -9.497 9.502 -15.443 1.00 11.52 H new ATOM 0 HE2 HIS A 100 -7.517 8.891 -13.965 1.00 25.41 H new ATOM 1406 N HIS A 101 -11.885 13.983 -10.403 1.00 12.33 N ATOM 1407 CA HIS A 101 -12.493 14.743 -9.317 1.00 1.25 C ATOM 1408 C HIS A 101 -12.345 14.007 -7.989 1.00 65.35 C ATOM 1409 O HIS A 101 -11.834 12.887 -7.943 1.00 63.31 O ATOM 1410 CB HIS A 101 -13.971 15.000 -9.610 1.00 52.03 C ATOM 1411 CG HIS A 101 -14.210 16.185 -10.493 1.00 5.22 C ATOM 1412 ND1 HIS A 101 -15.077 17.206 -10.166 1.00 54.03 N ATOM 1413 CD2 HIS A 101 -13.688 16.509 -11.700 1.00 53.12 C ATOM 1414 CE1 HIS A 101 -15.079 18.106 -11.132 1.00 44.31 C ATOM 1415 NE2 HIS A 101 -14.244 17.708 -12.075 1.00 61.23 N ATOM 0 H HIS A 101 -12.515 13.326 -10.862 1.00 12.33 H new ATOM 0 HA HIS A 101 -11.975 15.699 -9.242 1.00 1.25 H new ATOM 0 HB2 HIS A 101 -14.399 14.115 -10.081 1.00 52.03 H new ATOM 0 HB3 HIS A 101 -14.499 15.147 -8.668 1.00 52.03 H new ATOM 0 HD2 HIS A 101 -12.969 15.932 -12.263 1.00 53.12 H new ATOM 0 HE1 HIS A 101 -15.664 19.014 -11.148 1.00 44.31 H new ATOM 0 HE2 HIS A 101 -14.045 18.209 -12.941 1.00 61.23 H new ATOM 1422 N HIS A 102 -12.796 14.641 -6.911 1.00 40.52 N ATOM 1423 CA HIS A 102 -12.714 14.045 -5.583 1.00 32.31 C ATOM 1424 C HIS A 102 -11.283 13.619 -5.266 1.00 54.45 C ATOM 1425 O HIS A 102 -10.343 14.005 -5.961 1.00 13.23 O ATOM 1426 CB HIS A 102 -13.651 12.841 -5.483 1.00 32.51 C ATOM 1427 CG HIS A 102 -14.868 13.097 -4.647 1.00 31.50 C ATOM 1428 ND1 HIS A 102 -15.117 12.441 -3.460 1.00 61.13 N ATOM 1429 CD2 HIS A 102 -15.906 13.944 -4.833 1.00 54.54 C ATOM 1430 CE1 HIS A 102 -16.257 12.873 -2.952 1.00 71.21 C ATOM 1431 NE2 HIS A 102 -16.756 13.786 -3.765 1.00 44.52 N ATOM 0 H HIS A 102 -13.222 15.568 -6.932 1.00 40.52 H new ATOM 0 HA HIS A 102 -13.020 14.796 -4.855 1.00 32.31 H new ATOM 0 HB2 HIS A 102 -13.964 12.550 -6.486 1.00 32.51 H new ATOM 0 HB3 HIS A 102 -13.102 11.998 -5.063 1.00 32.51 H new ATOM 0 HD2 HIS A 102 -16.041 14.619 -5.665 1.00 54.54 H new ATOM 0 HE1 HIS A 102 -16.705 12.537 -2.029 1.00 71.21 H new ATOM 0 HE2 HIS A 102 -17.630 14.292 -3.623 1.00 44.52 H new TER 1438 HIS A 102