USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 624 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 72 ASN : amide:sc= -0.278 K(o=-0.84,f=-2.6!) USER MOD Set 1.2: A 76 HIS : no HD1:sc= -0.562 K(o=-0.84,f=-4.5!) USER MOD Set 2.1: A 28 HIS : no HE2:sc= -0.14 K(o=-0.27,f=0.43) USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= -0.134 USER MOD Set 3.1: A 7 THR OG1 : rot -160:sc= 1.21 USER MOD Set 3.2: A 42 HIS : no HE2:sc= 0.925 K(o=2.1,f=-5.7!) USER MOD Set 4.1: A 10 ASN : amide:sc= -0.0443 K(o=-0.33,f=-4.5) USER MOD Set 4.2: A 13 MET CE :methyl 173:sc= -0.283 (180deg=-0.466) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.155 (180deg=-0.654) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -157:sc= -0.166 (180deg=-0.86) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.82 K(o=-1.8,f=-0.76) USER MOD Single : A 17 ASN : amide:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 20 THR OG1 : rot -125:sc= 0.626 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 MET CE :methyl -115:sc= -2.42! (180deg=-3.78!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.992 K(o=0.99,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -2.18 K(o=-2.2,f=-0.94) USER MOD Single : A 61 THR OG1 : rot 99:sc= 1.01 USER MOD Single : A 62 THR OG1 : rot 88:sc= 1.09 USER MOD Single : A 63 ASN : amide:sc= -4.02! K(o=-4!,f=-0.79) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -112:sc= -1.04! USER MOD Single : A 70 MET CE :methyl -107:sc= -0.587 (180deg=-2.92!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 79 HIS : no HD1:sc=-0.00262 X(o=-0.0026,f=-0.0026) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.579 -12.562 -6.077 1.00 61.33 N ATOM 2 CA MET A 1 15.989 -11.486 -5.238 1.00 44.20 C ATOM 3 C MET A 1 14.750 -11.996 -4.479 1.00 54.41 C ATOM 4 O MET A 1 14.836 -12.327 -3.295 1.00 74.43 O ATOM 5 CB MET A 1 15.625 -10.266 -6.104 1.00 41.41 C ATOM 6 CG MET A 1 15.178 -9.050 -5.297 1.00 11.44 C ATOM 7 SD MET A 1 14.748 -7.638 -6.334 1.00 54.54 S ATOM 8 CE MET A 1 16.292 -7.354 -7.202 1.00 24.02 C ATOM 0 H1 MET A 1 17.412 -12.194 -6.578 1.00 61.33 H new ATOM 0 H2 MET A 1 16.863 -13.358 -5.471 1.00 61.33 H new ATOM 0 H3 MET A 1 15.875 -12.888 -6.769 1.00 61.33 H new ATOM 0 HA MET A 1 16.735 -11.182 -4.504 1.00 44.20 H new ATOM 0 HB2 MET A 1 16.489 -9.991 -6.710 1.00 41.41 H new ATOM 0 HB3 MET A 1 14.828 -10.546 -6.793 1.00 41.41 H new ATOM 0 HG2 MET A 1 14.317 -9.322 -4.687 1.00 11.44 H new ATOM 0 HG3 MET A 1 15.975 -8.762 -4.612 1.00 11.44 H new ATOM 0 HE1 MET A 1 16.292 -6.350 -7.626 1.00 24.02 H new ATOM 0 HE2 MET A 1 17.125 -7.454 -6.506 1.00 24.02 H new ATOM 0 HE3 MET A 1 16.399 -8.086 -8.003 1.00 24.02 H new ATOM 20 N ALA A 2 13.612 -12.079 -5.179 1.00 2.31 N ATOM 21 CA ALA A 2 12.332 -12.499 -4.576 1.00 12.40 C ATOM 22 C ALA A 2 11.183 -12.398 -5.594 1.00 72.21 C ATOM 23 O ALA A 2 11.376 -11.923 -6.715 1.00 12.43 O ATOM 24 CB ALA A 2 12.007 -11.650 -3.346 1.00 21.34 C ATOM 0 H ALA A 2 13.548 -11.859 -6.173 1.00 2.31 H new ATOM 0 HA ALA A 2 12.438 -13.540 -4.270 1.00 12.40 H new ATOM 0 HB1 ALA A 2 11.059 -11.977 -2.918 1.00 21.34 H new ATOM 0 HB2 ALA A 2 12.798 -11.765 -2.605 1.00 21.34 H new ATOM 0 HB3 ALA A 2 11.931 -10.602 -3.637 1.00 21.34 H new ATOM 30 N GLY A 3 9.989 -12.839 -5.199 1.00 13.23 N ATOM 31 CA GLY A 3 8.813 -12.726 -6.063 1.00 40.12 C ATOM 32 C GLY A 3 8.219 -11.316 -6.069 1.00 3.01 C ATOM 33 O GLY A 3 7.076 -11.115 -5.656 1.00 14.12 O ATOM 0 H GLY A 3 9.810 -13.274 -4.294 1.00 13.23 H new ATOM 0 HA2 GLY A 3 9.086 -13.005 -7.081 1.00 40.12 H new ATOM 0 HA3 GLY A 3 8.054 -13.434 -5.731 1.00 40.12 H new ATOM 37 N ASP A 4 9.013 -10.355 -6.544 1.00 31.12 N ATOM 38 CA ASP A 4 8.647 -8.929 -6.568 1.00 63.15 C ATOM 39 C ASP A 4 8.251 -8.404 -5.171 1.00 51.52 C ATOM 40 O ASP A 4 7.087 -8.474 -4.763 1.00 24.22 O ATOM 41 CB ASP A 4 7.523 -8.655 -7.573 1.00 23.01 C ATOM 42 CG ASP A 4 7.512 -7.202 -8.023 1.00 52.21 C ATOM 43 OD1 ASP A 4 7.382 -6.300 -7.166 1.00 63.44 O ATOM 44 OD2 ASP A 4 7.662 -6.954 -9.237 1.00 72.22 O ATOM 0 H ASP A 4 9.939 -10.542 -6.928 1.00 31.12 H new ATOM 0 HA ASP A 4 9.538 -8.388 -6.887 1.00 63.15 H new ATOM 0 HB2 ASP A 4 7.645 -9.304 -8.441 1.00 23.01 H new ATOM 0 HB3 ASP A 4 6.563 -8.903 -7.121 1.00 23.01 H new ATOM 49 N PRO A 5 9.228 -7.880 -4.410 1.00 15.20 N ATOM 50 CA PRO A 5 8.985 -7.305 -3.084 1.00 41.01 C ATOM 51 C PRO A 5 8.733 -5.785 -3.115 1.00 30.43 C ATOM 52 O PRO A 5 8.571 -5.154 -2.072 1.00 44.03 O ATOM 53 CB PRO A 5 10.300 -7.620 -2.375 1.00 24.24 C ATOM 54 CG PRO A 5 11.341 -7.491 -3.447 1.00 12.12 C ATOM 55 CD PRO A 5 10.664 -7.837 -4.757 1.00 13.44 C ATOM 0 HA PRO A 5 8.091 -7.706 -2.607 1.00 41.01 H new ATOM 0 HB2 PRO A 5 10.486 -6.926 -1.555 1.00 24.24 H new ATOM 0 HB3 PRO A 5 10.291 -8.623 -1.948 1.00 24.24 H new ATOM 0 HG2 PRO A 5 11.744 -6.478 -3.475 1.00 12.12 H new ATOM 0 HG3 PRO A 5 12.179 -8.162 -3.255 1.00 12.12 H new ATOM 0 HD2 PRO A 5 10.868 -7.089 -5.523 1.00 13.44 H new ATOM 0 HD3 PRO A 5 11.011 -8.794 -5.146 1.00 13.44 H new ATOM 63 N MET A 6 8.693 -5.203 -4.315 1.00 31.05 N ATOM 64 CA MET A 6 8.579 -3.744 -4.467 1.00 34.20 C ATOM 65 C MET A 6 7.222 -3.327 -5.062 1.00 35.11 C ATOM 66 O MET A 6 7.027 -2.165 -5.413 1.00 54.12 O ATOM 67 CB MET A 6 9.729 -3.224 -5.341 1.00 74.31 C ATOM 68 CG MET A 6 11.110 -3.493 -4.756 1.00 74.31 C ATOM 69 SD MET A 6 12.450 -2.965 -5.846 1.00 22.23 S ATOM 70 CE MET A 6 12.129 -3.976 -7.291 1.00 55.20 C ATOM 0 H MET A 6 8.737 -5.715 -5.196 1.00 31.05 H new ATOM 0 HA MET A 6 8.643 -3.299 -3.474 1.00 34.20 H new ATOM 0 HB2 MET A 6 9.664 -3.687 -6.325 1.00 74.31 H new ATOM 0 HB3 MET A 6 9.608 -2.150 -5.485 1.00 74.31 H new ATOM 0 HG2 MET A 6 11.201 -2.977 -3.800 1.00 74.31 H new ATOM 0 HG3 MET A 6 11.212 -4.559 -4.553 1.00 74.31 H new ATOM 0 HE1 MET A 6 13.046 -4.086 -7.869 1.00 55.20 H new ATOM 0 HE2 MET A 6 11.778 -4.959 -6.977 1.00 55.20 H new ATOM 0 HE3 MET A 6 11.367 -3.499 -7.907 1.00 55.20 H new ATOM 80 N THR A 7 6.290 -4.279 -5.146 1.00 61.53 N ATOM 81 CA THR A 7 4.927 -4.026 -5.668 1.00 12.12 C ATOM 82 C THR A 7 4.306 -2.726 -5.126 1.00 41.54 C ATOM 83 O THR A 7 3.747 -1.932 -5.887 1.00 3.54 O ATOM 84 CB THR A 7 3.964 -5.189 -5.328 1.00 52.12 C ATOM 85 OG1 THR A 7 3.917 -5.382 -3.906 1.00 4.23 O ATOM 86 CG2 THR A 7 4.389 -6.488 -6.005 1.00 30.22 C ATOM 0 H THR A 7 6.448 -5.245 -4.858 1.00 61.53 H new ATOM 0 HA THR A 7 5.050 -3.935 -6.747 1.00 12.12 H new ATOM 0 HB THR A 7 2.975 -4.922 -5.700 1.00 52.12 H new ATOM 0 HG1 THR A 7 3.578 -6.280 -3.709 1.00 4.23 H new ATOM 0 HG21 THR A 7 3.689 -7.281 -5.743 1.00 30.22 H new ATOM 0 HG22 THR A 7 4.393 -6.350 -7.086 1.00 30.22 H new ATOM 0 HG23 THR A 7 5.390 -6.762 -5.671 1.00 30.22 H new ATOM 94 N PHE A 8 4.393 -2.518 -3.809 1.00 74.35 N ATOM 95 CA PHE A 8 3.847 -1.309 -3.173 1.00 72.35 C ATOM 96 C PHE A 8 4.399 -0.033 -3.835 1.00 62.02 C ATOM 97 O PHE A 8 3.640 0.854 -4.233 1.00 23.11 O ATOM 98 CB PHE A 8 4.168 -1.309 -1.668 1.00 74.13 C ATOM 99 CG PHE A 8 3.612 -0.115 -0.924 1.00 75.35 C ATOM 100 CD1 PHE A 8 2.266 -0.057 -0.586 1.00 75.12 C ATOM 101 CD2 PHE A 8 4.432 0.950 -0.567 1.00 64.43 C ATOM 102 CE1 PHE A 8 1.752 1.033 0.092 1.00 0.42 C ATOM 103 CE2 PHE A 8 3.921 2.041 0.112 1.00 72.45 C ATOM 104 CZ PHE A 8 2.579 2.083 0.440 1.00 72.01 C ATOM 0 H PHE A 8 4.835 -3.169 -3.160 1.00 74.35 H new ATOM 0 HA PHE A 8 2.765 -1.317 -3.306 1.00 72.35 H new ATOM 0 HB2 PHE A 8 3.771 -2.221 -1.221 1.00 74.13 H new ATOM 0 HB3 PHE A 8 5.250 -1.335 -1.537 1.00 74.13 H new ATOM 0 HD1 PHE A 8 1.613 -0.873 -0.856 1.00 75.12 H new ATOM 0 HD2 PHE A 8 5.481 0.925 -0.823 1.00 64.43 H new ATOM 0 HE1 PHE A 8 0.704 1.063 0.349 1.00 0.42 H new ATOM 0 HE2 PHE A 8 4.570 2.860 0.386 1.00 72.45 H new ATOM 0 HZ PHE A 8 2.178 2.936 0.968 1.00 72.01 H new ATOM 114 N TYR A 9 5.721 0.036 -3.971 1.00 71.44 N ATOM 115 CA TYR A 9 6.373 1.176 -4.621 1.00 52.30 C ATOM 116 C TYR A 9 6.010 1.239 -6.114 1.00 14.31 C ATOM 117 O TYR A 9 5.752 2.312 -6.651 1.00 2.52 O ATOM 118 CB TYR A 9 7.899 1.090 -4.447 1.00 54.44 C ATOM 119 CG TYR A 9 8.661 2.277 -5.020 1.00 62.31 C ATOM 120 CD1 TYR A 9 8.774 3.468 -4.308 1.00 52.34 C ATOM 121 CD2 TYR A 9 9.268 2.206 -6.272 1.00 41.12 C ATOM 122 CE1 TYR A 9 9.466 4.548 -4.825 1.00 4.12 C ATOM 123 CE2 TYR A 9 9.961 3.282 -6.792 1.00 44.13 C ATOM 124 CZ TYR A 9 10.057 4.448 -6.066 1.00 41.45 C ATOM 125 OH TYR A 9 10.751 5.521 -6.583 1.00 3.04 O ATOM 0 H TYR A 9 6.364 -0.683 -3.640 1.00 71.44 H new ATOM 0 HA TYR A 9 6.015 2.089 -4.144 1.00 52.30 H new ATOM 0 HB2 TYR A 9 8.128 1.004 -3.385 1.00 54.44 H new ATOM 0 HB3 TYR A 9 8.257 0.178 -4.925 1.00 54.44 H new ATOM 0 HD1 TYR A 9 8.313 3.550 -3.335 1.00 52.34 H new ATOM 0 HD2 TYR A 9 9.196 1.294 -6.846 1.00 41.12 H new ATOM 0 HE1 TYR A 9 9.543 5.465 -4.259 1.00 4.12 H new ATOM 0 HE2 TYR A 9 10.426 3.209 -7.764 1.00 44.13 H new ATOM 0 HH TYR A 9 11.107 5.286 -7.465 1.00 3.04 H new ATOM 135 N ASN A 10 5.973 0.076 -6.766 1.00 12.22 N ATOM 136 CA ASN A 10 5.636 -0.019 -8.194 1.00 11.53 C ATOM 137 C ASN A 10 4.206 0.489 -8.473 1.00 44.23 C ATOM 138 O ASN A 10 3.878 0.874 -9.595 1.00 53.43 O ATOM 139 CB ASN A 10 5.779 -1.475 -8.665 1.00 32.35 C ATOM 140 CG ASN A 10 5.643 -1.628 -10.170 1.00 32.30 C ATOM 141 OD1 ASN A 10 6.013 -0.745 -10.938 1.00 43.14 O ATOM 142 ND2 ASN A 10 5.101 -2.745 -10.611 1.00 13.12 N ATOM 0 H ASN A 10 6.174 -0.822 -6.327 1.00 12.22 H new ATOM 0 HA ASN A 10 6.328 0.615 -8.748 1.00 11.53 H new ATOM 0 HB2 ASN A 10 6.750 -1.858 -8.353 1.00 32.35 H new ATOM 0 HB3 ASN A 10 5.022 -2.086 -8.173 1.00 32.35 H new ATOM 0 HD21 ASN A 10 4.980 -2.892 -11.613 1.00 13.12 H new ATOM 0 HD22 ASN A 10 4.802 -3.462 -9.950 1.00 13.12 H new ATOM 149 N PHE A 11 3.351 0.471 -7.449 1.00 21.13 N ATOM 150 CA PHE A 11 1.982 0.988 -7.576 1.00 60.14 C ATOM 151 C PHE A 11 1.956 2.519 -7.460 1.00 22.33 C ATOM 152 O PHE A 11 1.408 3.211 -8.320 1.00 22.53 O ATOM 153 CB PHE A 11 1.074 0.375 -6.498 1.00 75.54 C ATOM 154 CG PHE A 11 -0.388 0.730 -6.661 1.00 43.03 C ATOM 155 CD1 PHE A 11 -1.225 -0.063 -7.436 1.00 21.40 C ATOM 156 CD2 PHE A 11 -0.923 1.857 -6.049 1.00 51.11 C ATOM 157 CE1 PHE A 11 -2.559 0.259 -7.595 1.00 31.34 C ATOM 158 CE2 PHE A 11 -2.257 2.181 -6.205 1.00 22.35 C ATOM 159 CZ PHE A 11 -3.075 1.383 -6.981 1.00 24.11 C ATOM 0 H PHE A 11 3.579 0.106 -6.524 1.00 21.13 H new ATOM 0 HA PHE A 11 1.612 0.707 -8.562 1.00 60.14 H new ATOM 0 HB2 PHE A 11 1.180 -0.710 -6.520 1.00 75.54 H new ATOM 0 HB3 PHE A 11 1.413 0.709 -5.517 1.00 75.54 H new ATOM 0 HD1 PHE A 11 -0.828 -0.943 -7.920 1.00 21.40 H new ATOM 0 HD2 PHE A 11 -0.288 2.487 -5.444 1.00 51.11 H new ATOM 0 HE1 PHE A 11 -3.198 -0.368 -8.199 1.00 31.34 H new ATOM 0 HE2 PHE A 11 -2.660 3.058 -5.720 1.00 22.35 H new ATOM 0 HZ PHE A 11 -4.117 1.638 -7.107 1.00 24.11 H new ATOM 169 N ILE A 12 2.549 3.037 -6.390 1.00 34.25 N ATOM 170 CA ILE A 12 2.538 4.481 -6.120 1.00 34.02 C ATOM 171 C ILE A 12 3.537 5.241 -7.020 1.00 23.34 C ATOM 172 O ILE A 12 3.492 6.471 -7.123 1.00 10.51 O ATOM 173 CB ILE A 12 2.843 4.759 -4.622 1.00 62.32 C ATOM 174 CG1 ILE A 12 2.483 6.209 -4.244 1.00 2.04 C ATOM 175 CG2 ILE A 12 4.308 4.459 -4.298 1.00 11.22 C ATOM 176 CD1 ILE A 12 1.018 6.553 -4.433 1.00 1.34 C ATOM 0 H ILE A 12 3.045 2.483 -5.692 1.00 34.25 H new ATOM 0 HA ILE A 12 1.538 4.848 -6.352 1.00 34.02 H new ATOM 0 HB ILE A 12 2.221 4.092 -4.025 1.00 62.32 H new ATOM 0 HG12 ILE A 12 2.754 6.379 -3.202 1.00 2.04 H new ATOM 0 HG13 ILE A 12 3.085 6.890 -4.845 1.00 2.04 H new ATOM 0 HG21 ILE A 12 4.496 4.661 -3.244 1.00 11.22 H new ATOM 0 HG22 ILE A 12 4.520 3.411 -4.510 1.00 11.22 H new ATOM 0 HG23 ILE A 12 4.953 5.090 -4.909 1.00 11.22 H new ATOM 0 HD11 ILE A 12 0.848 7.590 -4.145 1.00 1.34 H new ATOM 0 HD12 ILE A 12 0.744 6.417 -5.479 1.00 1.34 H new ATOM 0 HD13 ILE A 12 0.407 5.899 -3.811 1.00 1.34 H new ATOM 188 N MET A 13 4.434 4.498 -7.673 1.00 45.11 N ATOM 189 CA MET A 13 5.401 5.078 -8.612 1.00 2.32 C ATOM 190 C MET A 13 4.688 5.817 -9.757 1.00 3.32 C ATOM 191 O MET A 13 3.691 5.335 -10.301 1.00 53.40 O ATOM 192 CB MET A 13 6.314 3.975 -9.168 1.00 52.42 C ATOM 193 CG MET A 13 7.422 4.483 -10.086 1.00 44.31 C ATOM 194 SD MET A 13 8.548 3.170 -10.610 1.00 61.32 S ATOM 195 CE MET A 13 7.431 2.092 -11.507 1.00 32.14 C ATOM 0 H MET A 13 4.512 3.486 -7.568 1.00 45.11 H new ATOM 0 HA MET A 13 6.009 5.806 -8.075 1.00 2.32 H new ATOM 0 HB2 MET A 13 6.766 3.439 -8.334 1.00 52.42 H new ATOM 0 HB3 MET A 13 5.705 3.257 -9.716 1.00 52.42 H new ATOM 0 HG2 MET A 13 6.976 4.946 -10.966 1.00 44.31 H new ATOM 0 HG3 MET A 13 7.989 5.258 -9.570 1.00 44.31 H new ATOM 0 HE1 MET A 13 8.002 1.302 -11.995 1.00 32.14 H new ATOM 0 HE2 MET A 13 6.718 1.648 -10.813 1.00 32.14 H new ATOM 0 HE3 MET A 13 6.894 2.670 -12.259 1.00 32.14 H new ATOM 205 N GLY A 14 5.203 6.990 -10.115 1.00 21.15 N ATOM 206 CA GLY A 14 4.550 7.830 -11.113 1.00 34.43 C ATOM 207 C GLY A 14 3.803 9.003 -10.484 1.00 35.43 C ATOM 208 O GLY A 14 3.917 10.143 -10.939 1.00 24.20 O ATOM 0 H GLY A 14 6.065 7.378 -9.732 1.00 21.15 H new ATOM 0 HA2 GLY A 14 5.297 8.210 -11.810 1.00 34.43 H new ATOM 0 HA3 GLY A 14 3.852 7.226 -11.692 1.00 34.43 H new ATOM 212 N PHE A 15 3.042 8.718 -9.426 1.00 3.35 N ATOM 213 CA PHE A 15 2.329 9.756 -8.667 1.00 74.11 C ATOM 214 C PHE A 15 3.316 10.732 -8.007 1.00 34.52 C ATOM 215 O PHE A 15 2.996 11.891 -7.763 1.00 13.22 O ATOM 216 CB PHE A 15 1.444 9.109 -7.588 1.00 12.13 C ATOM 217 CG PHE A 15 0.366 8.198 -8.129 1.00 31.35 C ATOM 218 CD1 PHE A 15 0.670 6.910 -8.552 1.00 60.15 C ATOM 219 CD2 PHE A 15 -0.952 8.627 -8.210 1.00 41.34 C ATOM 220 CE1 PHE A 15 -0.314 6.073 -9.040 1.00 11.30 C ATOM 221 CE2 PHE A 15 -1.940 7.793 -8.699 1.00 14.44 C ATOM 222 CZ PHE A 15 -1.621 6.515 -9.116 1.00 63.44 C ATOM 0 H PHE A 15 2.901 7.772 -9.071 1.00 3.35 H new ATOM 0 HA PHE A 15 1.703 10.313 -9.364 1.00 74.11 H new ATOM 0 HB2 PHE A 15 2.078 8.539 -6.909 1.00 12.13 H new ATOM 0 HB3 PHE A 15 0.975 9.897 -6.999 1.00 12.13 H new ATOM 0 HD1 PHE A 15 1.690 6.559 -8.498 1.00 60.15 H new ATOM 0 HD2 PHE A 15 -1.209 9.625 -7.887 1.00 41.34 H new ATOM 0 HE1 PHE A 15 -0.062 5.073 -9.362 1.00 11.30 H new ATOM 0 HE2 PHE A 15 -2.961 8.140 -8.755 1.00 14.44 H new ATOM 0 HZ PHE A 15 -2.391 5.863 -9.500 1.00 63.44 H new ATOM 232 N GLN A 16 4.521 10.235 -7.724 1.00 11.23 N ATOM 233 CA GLN A 16 5.598 11.034 -7.117 1.00 24.54 C ATOM 234 C GLN A 16 5.924 12.278 -7.974 1.00 31.33 C ATOM 235 O GLN A 16 6.351 13.312 -7.460 1.00 22.54 O ATOM 236 CB GLN A 16 6.847 10.137 -6.959 1.00 70.43 C ATOM 237 CG GLN A 16 7.821 10.533 -5.844 1.00 74.52 C ATOM 238 CD GLN A 16 8.563 11.838 -6.102 1.00 71.41 C ATOM 239 OE1 GLN A 16 9.595 11.853 -6.764 1.00 72.33 O ATOM 240 NE2 GLN A 16 8.069 12.933 -5.556 1.00 31.34 N ATOM 0 H GLN A 16 4.783 9.266 -7.908 1.00 11.23 H new ATOM 0 HA GLN A 16 5.274 11.393 -6.140 1.00 24.54 H new ATOM 0 HB2 GLN A 16 6.515 9.115 -6.778 1.00 70.43 H new ATOM 0 HB3 GLN A 16 7.390 10.134 -7.904 1.00 70.43 H new ATOM 0 HG2 GLN A 16 7.269 10.620 -4.908 1.00 74.52 H new ATOM 0 HG3 GLN A 16 8.550 9.733 -5.711 1.00 74.52 H new ATOM 0 HE21 GLN A 16 7.208 12.887 -5.011 1.00 31.34 H new ATOM 0 HE22 GLN A 16 8.548 13.825 -5.679 1.00 31.34 H new ATOM 249 N ASN A 17 5.703 12.172 -9.284 1.00 40.33 N ATOM 250 CA ASN A 17 6.033 13.254 -10.216 1.00 23.30 C ATOM 251 C ASN A 17 5.145 14.495 -10.004 1.00 54.34 C ATOM 252 O ASN A 17 5.578 15.626 -10.238 1.00 44.13 O ATOM 253 CB ASN A 17 5.912 12.755 -11.661 1.00 54.10 C ATOM 254 CG ASN A 17 6.329 13.805 -12.673 1.00 21.53 C ATOM 255 OD1 ASN A 17 7.498 13.917 -13.023 1.00 34.20 O ATOM 256 ND2 ASN A 17 5.382 14.582 -13.151 1.00 33.35 N ATOM 0 H ASN A 17 5.296 11.347 -9.726 1.00 40.33 H new ATOM 0 HA ASN A 17 7.062 13.556 -10.019 1.00 23.30 H new ATOM 0 HB2 ASN A 17 6.530 11.866 -11.788 1.00 54.10 H new ATOM 0 HB3 ASN A 17 4.881 12.457 -11.854 1.00 54.10 H new ATOM 0 HD21 ASN A 17 5.611 15.304 -13.834 1.00 33.35 H new ATOM 0 HD22 ASN A 17 4.418 14.463 -12.839 1.00 33.35 H new ATOM 263 N ASP A 18 3.904 14.286 -9.574 1.00 51.12 N ATOM 264 CA ASP A 18 2.978 15.400 -9.328 1.00 32.44 C ATOM 265 C ASP A 18 2.765 15.638 -7.821 1.00 15.32 C ATOM 266 O ASP A 18 2.475 14.714 -7.060 1.00 24.41 O ATOM 267 CB ASP A 18 1.642 15.163 -10.053 1.00 60.22 C ATOM 268 CG ASP A 18 1.081 13.769 -9.838 1.00 24.13 C ATOM 269 OD1 ASP A 18 1.522 12.833 -10.539 1.00 1.11 O ATOM 270 OD2 ASP A 18 0.177 13.605 -8.992 1.00 14.22 O ATOM 0 H ASP A 18 3.513 13.363 -9.388 1.00 51.12 H new ATOM 0 HA ASP A 18 3.428 16.306 -9.734 1.00 32.44 H new ATOM 0 HB2 ASP A 18 0.914 15.897 -9.708 1.00 60.22 H new ATOM 0 HB3 ASP A 18 1.782 15.330 -11.121 1.00 60.22 H new ATOM 275 N ASN A 19 2.923 16.895 -7.400 1.00 23.22 N ATOM 276 CA ASN A 19 2.779 17.273 -5.990 1.00 42.24 C ATOM 277 C ASN A 19 1.346 17.029 -5.485 1.00 21.22 C ATOM 278 O ASN A 19 0.468 17.891 -5.589 1.00 33.33 O ATOM 279 CB ASN A 19 3.186 18.738 -5.789 1.00 73.33 C ATOM 280 CG ASN A 19 4.646 18.982 -6.138 1.00 60.43 C ATOM 281 OD1 ASN A 19 5.529 18.865 -5.294 1.00 45.11 O ATOM 282 ND2 ASN A 19 4.917 19.317 -7.384 1.00 22.04 N ATOM 0 H ASN A 19 3.152 17.673 -8.019 1.00 23.22 H new ATOM 0 HA ASN A 19 3.444 16.641 -5.402 1.00 42.24 H new ATOM 0 HB2 ASN A 19 2.555 19.377 -6.407 1.00 73.33 H new ATOM 0 HB3 ASN A 19 3.010 19.023 -4.752 1.00 73.33 H new ATOM 0 HD21 ASN A 19 5.882 19.486 -7.668 1.00 22.04 H new ATOM 0 HD22 ASN A 19 4.162 19.407 -8.064 1.00 22.04 H new ATOM 289 N THR A 20 1.124 15.826 -4.966 1.00 32.23 N ATOM 290 CA THR A 20 -0.191 15.398 -4.464 1.00 45.14 C ATOM 291 C THR A 20 -0.041 14.557 -3.189 1.00 61.13 C ATOM 292 O THR A 20 1.067 14.146 -2.845 1.00 10.20 O ATOM 293 CB THR A 20 -0.934 14.538 -5.520 1.00 71.41 C ATOM 294 OG1 THR A 20 -0.154 13.374 -5.843 1.00 24.04 O ATOM 295 CG2 THR A 20 -1.218 15.333 -6.787 1.00 15.41 C ATOM 0 H THR A 20 1.848 15.113 -4.878 1.00 32.23 H new ATOM 0 HA THR A 20 -0.762 16.302 -4.251 1.00 45.14 H new ATOM 0 HB THR A 20 -1.888 14.233 -5.090 1.00 71.41 H new ATOM 0 HG1 THR A 20 -0.006 13.338 -6.811 1.00 24.04 H new ATOM 0 HG21 THR A 20 -1.739 14.700 -7.505 1.00 15.41 H new ATOM 0 HG22 THR A 20 -1.840 16.194 -6.544 1.00 15.41 H new ATOM 0 HG23 THR A 20 -0.278 15.675 -7.220 1.00 15.41 H new ATOM 303 N PRO A 21 -1.149 14.287 -2.458 1.00 54.04 N ATOM 304 CA PRO A 21 -1.138 13.329 -1.336 1.00 35.24 C ATOM 305 C PRO A 21 -0.458 12.001 -1.713 1.00 53.13 C ATOM 306 O PRO A 21 0.240 11.388 -0.904 1.00 33.12 O ATOM 307 CB PRO A 21 -2.630 13.114 -1.054 1.00 52.05 C ATOM 308 CG PRO A 21 -3.272 14.399 -1.457 1.00 30.12 C ATOM 309 CD PRO A 21 -2.479 14.909 -2.636 1.00 14.34 C ATOM 0 HA PRO A 21 -0.576 13.698 -0.478 1.00 35.24 H new ATOM 0 HB2 PRO A 21 -3.026 12.275 -1.627 1.00 52.05 H new ATOM 0 HB3 PRO A 21 -2.808 12.894 -0.001 1.00 52.05 H new ATOM 0 HG2 PRO A 21 -4.317 14.245 -1.727 1.00 30.12 H new ATOM 0 HG3 PRO A 21 -3.257 15.117 -0.637 1.00 30.12 H new ATOM 0 HD2 PRO A 21 -2.935 14.616 -3.582 1.00 14.34 H new ATOM 0 HD3 PRO A 21 -2.416 15.997 -2.636 1.00 14.34 H new ATOM 317 N PHE A 22 -0.659 11.581 -2.962 1.00 40.41 N ATOM 318 CA PHE A 22 -0.022 10.372 -3.494 1.00 70.53 C ATOM 319 C PHE A 22 1.483 10.604 -3.719 1.00 60.31 C ATOM 320 O PHE A 22 2.316 9.765 -3.366 1.00 11.22 O ATOM 321 CB PHE A 22 -0.688 9.964 -4.815 1.00 31.23 C ATOM 322 CG PHE A 22 -2.177 9.735 -4.706 1.00 61.43 C ATOM 323 CD1 PHE A 22 -2.679 8.480 -4.392 1.00 32.14 C ATOM 324 CD2 PHE A 22 -3.073 10.774 -4.922 1.00 60.34 C ATOM 325 CE1 PHE A 22 -4.040 8.267 -4.291 1.00 61.44 C ATOM 326 CE2 PHE A 22 -4.436 10.565 -4.822 1.00 71.54 C ATOM 327 CZ PHE A 22 -4.919 9.310 -4.507 1.00 3.13 C ATOM 0 H PHE A 22 -1.262 12.062 -3.629 1.00 40.41 H new ATOM 0 HA PHE A 22 -0.146 9.570 -2.766 1.00 70.53 H new ATOM 0 HB2 PHE A 22 -0.503 10.740 -5.558 1.00 31.23 H new ATOM 0 HB3 PHE A 22 -0.216 9.052 -5.182 1.00 31.23 H new ATOM 0 HD1 PHE A 22 -1.997 7.660 -4.224 1.00 32.14 H new ATOM 0 HD2 PHE A 22 -2.701 11.757 -5.171 1.00 60.34 H new ATOM 0 HE1 PHE A 22 -4.416 7.286 -4.043 1.00 61.44 H new ATOM 0 HE2 PHE A 22 -5.122 11.382 -4.990 1.00 71.54 H new ATOM 0 HZ PHE A 22 -5.983 9.144 -4.430 1.00 3.13 H new ATOM 337 N GLY A 23 1.816 11.753 -4.309 1.00 21.15 N ATOM 338 CA GLY A 23 3.211 12.121 -4.534 1.00 64.24 C ATOM 339 C GLY A 23 4.031 12.175 -3.250 1.00 22.03 C ATOM 340 O GLY A 23 5.183 11.731 -3.216 1.00 70.51 O ATOM 0 H GLY A 23 1.140 12.442 -4.638 1.00 21.15 H new ATOM 0 HA2 GLY A 23 3.664 11.403 -5.217 1.00 64.24 H new ATOM 0 HA3 GLY A 23 3.249 13.094 -5.023 1.00 64.24 H new ATOM 344 N ILE A 24 3.436 12.724 -2.193 1.00 51.34 N ATOM 345 CA ILE A 24 4.080 12.787 -0.876 1.00 3.13 C ATOM 346 C ILE A 24 4.344 11.379 -0.318 1.00 70.33 C ATOM 347 O ILE A 24 5.431 11.097 0.188 1.00 14.31 O ATOM 348 CB ILE A 24 3.221 13.593 0.136 1.00 43.24 C ATOM 349 CG1 ILE A 24 3.043 15.046 -0.344 1.00 43.12 C ATOM 350 CG2 ILE A 24 3.837 13.557 1.539 1.00 2.51 C ATOM 351 CD1 ILE A 24 4.344 15.815 -0.486 1.00 53.31 C ATOM 0 H ILE A 24 2.503 13.135 -2.220 1.00 51.34 H new ATOM 0 HA ILE A 24 5.033 13.298 -1.012 1.00 3.13 H new ATOM 0 HB ILE A 24 2.239 13.124 0.192 1.00 43.24 H new ATOM 0 HG12 ILE A 24 2.530 15.039 -1.306 1.00 43.12 H new ATOM 0 HG13 ILE A 24 2.397 15.573 0.358 1.00 43.12 H new ATOM 0 HG21 ILE A 24 3.213 14.130 2.225 1.00 2.51 H new ATOM 0 HG22 ILE A 24 3.900 12.524 1.882 1.00 2.51 H new ATOM 0 HG23 ILE A 24 4.836 13.991 1.509 1.00 2.51 H new ATOM 0 HD11 ILE A 24 4.132 16.828 -0.828 1.00 53.31 H new ATOM 0 HD12 ILE A 24 4.850 15.856 0.479 1.00 53.31 H new ATOM 0 HD13 ILE A 24 4.985 15.314 -1.211 1.00 53.31 H new ATOM 363 N LEU A 25 3.348 10.498 -0.424 1.00 74.41 N ATOM 364 CA LEU A 25 3.492 9.106 0.018 1.00 33.31 C ATOM 365 C LEU A 25 4.661 8.424 -0.719 1.00 75.43 C ATOM 366 O LEU A 25 5.553 7.846 -0.093 1.00 13.25 O ATOM 367 CB LEU A 25 2.168 8.347 -0.222 1.00 62.53 C ATOM 368 CG LEU A 25 2.024 6.954 0.438 1.00 13.51 C ATOM 369 CD1 LEU A 25 2.834 5.886 -0.295 1.00 2.32 C ATOM 370 CD2 LEU A 25 2.423 7.011 1.912 1.00 13.32 C ATOM 0 H LEU A 25 2.432 10.722 -0.812 1.00 74.41 H new ATOM 0 HA LEU A 25 3.716 9.089 1.085 1.00 33.31 H new ATOM 0 HB2 LEU A 25 1.350 8.975 0.131 1.00 62.53 H new ATOM 0 HB3 LEU A 25 2.037 8.227 -1.297 1.00 62.53 H new ATOM 0 HG LEU A 25 0.974 6.671 0.369 1.00 13.51 H new ATOM 0 HD11 LEU A 25 2.703 4.925 0.203 1.00 2.32 H new ATOM 0 HD12 LEU A 25 2.488 5.811 -1.326 1.00 2.32 H new ATOM 0 HD13 LEU A 25 3.889 6.159 -0.285 1.00 2.32 H new ATOM 0 HD21 LEU A 25 2.314 6.022 2.357 1.00 13.32 H new ATOM 0 HD22 LEU A 25 3.460 7.335 1.996 1.00 13.32 H new ATOM 0 HD23 LEU A 25 1.779 7.717 2.436 1.00 13.32 H new ATOM 382 N ALA A 26 4.652 8.512 -2.050 1.00 2.23 N ATOM 383 CA ALA A 26 5.713 7.925 -2.883 1.00 22.15 C ATOM 384 C ALA A 26 7.095 8.497 -2.535 1.00 3.43 C ATOM 385 O ALA A 26 8.078 7.764 -2.416 1.00 61.20 O ATOM 386 CB ALA A 26 5.407 8.156 -4.358 1.00 64.04 C ATOM 0 H ALA A 26 3.920 8.985 -2.580 1.00 2.23 H new ATOM 0 HA ALA A 26 5.739 6.854 -2.680 1.00 22.15 H new ATOM 0 HB1 ALA A 26 6.198 7.718 -4.967 1.00 64.04 H new ATOM 0 HB2 ALA A 26 4.455 7.689 -4.610 1.00 64.04 H new ATOM 0 HB3 ALA A 26 5.349 9.227 -4.554 1.00 64.04 H new ATOM 392 N GLU A 27 7.163 9.815 -2.375 1.00 51.52 N ATOM 393 CA GLU A 27 8.415 10.486 -2.012 1.00 43.02 C ATOM 394 C GLU A 27 8.887 10.072 -0.609 1.00 45.33 C ATOM 395 O GLU A 27 10.086 9.910 -0.363 1.00 2.41 O ATOM 396 CB GLU A 27 8.228 12.006 -2.082 1.00 34.24 C ATOM 397 CG GLU A 27 9.479 12.802 -1.726 1.00 31.10 C ATOM 398 CD GLU A 27 9.278 14.299 -1.886 1.00 61.10 C ATOM 399 OE1 GLU A 27 8.718 14.935 -0.970 1.00 20.15 O ATOM 400 OE2 GLU A 27 9.673 14.850 -2.935 1.00 25.42 O ATOM 0 H GLU A 27 6.368 10.443 -2.490 1.00 51.52 H new ATOM 0 HA GLU A 27 9.183 10.182 -2.723 1.00 43.02 H new ATOM 0 HB2 GLU A 27 7.912 12.277 -3.089 1.00 34.24 H new ATOM 0 HB3 GLU A 27 7.422 12.294 -1.407 1.00 34.24 H new ATOM 0 HG2 GLU A 27 9.764 12.584 -0.697 1.00 31.10 H new ATOM 0 HG3 GLU A 27 10.304 12.479 -2.360 1.00 31.10 H new ATOM 407 N HIS A 28 7.939 9.891 0.307 1.00 52.11 N ATOM 408 CA HIS A 28 8.255 9.518 1.686 1.00 23.03 C ATOM 409 C HIS A 28 8.806 8.084 1.770 1.00 25.44 C ATOM 410 O HIS A 28 9.786 7.830 2.470 1.00 25.14 O ATOM 411 CB HIS A 28 7.015 9.663 2.576 1.00 22.21 C ATOM 412 CG HIS A 28 7.323 9.591 4.042 1.00 65.23 C ATOM 413 ND1 HIS A 28 8.051 10.557 4.699 1.00 11.52 N ATOM 414 CD2 HIS A 28 7.003 8.669 4.982 1.00 41.34 C ATOM 415 CE1 HIS A 28 8.167 10.237 5.969 1.00 42.33 C ATOM 416 NE2 HIS A 28 7.542 9.100 6.168 1.00 24.34 N ATOM 0 H HIS A 28 6.942 9.997 0.120 1.00 52.11 H new ATOM 0 HA HIS A 28 9.030 10.196 2.044 1.00 23.03 H new ATOM 0 HB2 HIS A 28 6.531 10.616 2.360 1.00 22.21 H new ATOM 0 HB3 HIS A 28 6.302 8.879 2.323 1.00 22.21 H new ATOM 0 HD1 HIS A 28 8.441 11.394 4.266 1.00 11.52 H new ATOM 0 HD2 HIS A 28 6.432 7.766 4.827 1.00 41.34 H new ATOM 0 HE1 HIS A 28 8.688 10.812 6.720 1.00 42.33 H new ATOM 425 N VAL A 29 8.180 7.147 1.057 1.00 32.02 N ATOM 426 CA VAL A 29 8.654 5.756 1.048 1.00 33.43 C ATOM 427 C VAL A 29 10.002 5.623 0.312 1.00 0.00 C ATOM 428 O VAL A 29 10.778 4.701 0.576 1.00 31.25 O ATOM 429 CB VAL A 29 7.612 4.791 0.425 1.00 71.25 C ATOM 430 CG1 VAL A 29 6.303 4.838 1.211 1.00 12.43 C ATOM 431 CG2 VAL A 29 7.373 5.107 -1.051 1.00 41.32 C ATOM 0 H VAL A 29 7.354 7.319 0.484 1.00 32.02 H new ATOM 0 HA VAL A 29 8.797 5.472 2.090 1.00 33.43 H new ATOM 0 HB VAL A 29 8.014 3.779 0.483 1.00 71.25 H new ATOM 0 HG11 VAL A 29 5.583 4.155 0.760 1.00 12.43 H new ATOM 0 HG12 VAL A 29 6.488 4.541 2.243 1.00 12.43 H new ATOM 0 HG13 VAL A 29 5.903 5.852 1.191 1.00 12.43 H new ATOM 0 HG21 VAL A 29 6.638 4.413 -1.457 1.00 41.32 H new ATOM 0 HG22 VAL A 29 7.002 6.127 -1.149 1.00 41.32 H new ATOM 0 HG23 VAL A 29 8.309 5.007 -1.601 1.00 41.32 H new ATOM 441 N SER A 30 10.280 6.559 -0.601 1.00 60.52 N ATOM 442 CA SER A 30 11.585 6.621 -1.284 1.00 14.14 C ATOM 443 C SER A 30 12.717 6.955 -0.296 1.00 62.23 C ATOM 444 O SER A 30 13.884 6.640 -0.538 1.00 11.20 O ATOM 445 CB SER A 30 11.553 7.666 -2.412 1.00 1.34 C ATOM 446 OG SER A 30 12.818 7.782 -3.049 1.00 22.31 O ATOM 0 H SER A 30 9.623 7.285 -0.887 1.00 60.52 H new ATOM 0 HA SER A 30 11.781 5.638 -1.712 1.00 14.14 H new ATOM 0 HB2 SER A 30 10.798 7.387 -3.147 1.00 1.34 H new ATOM 0 HB3 SER A 30 11.259 8.634 -2.005 1.00 1.34 H new ATOM 0 HG SER A 30 12.765 8.452 -3.762 1.00 22.31 H new ATOM 452 N GLU A 31 12.358 7.587 0.823 1.00 21.24 N ATOM 453 CA GLU A 31 13.319 7.933 1.880 1.00 14.03 C ATOM 454 C GLU A 31 13.715 6.693 2.712 1.00 43.15 C ATOM 455 O GLU A 31 14.714 6.707 3.434 1.00 34.14 O ATOM 456 CB GLU A 31 12.704 9.007 2.796 1.00 41.23 C ATOM 457 CG GLU A 31 13.645 9.521 3.881 1.00 4.04 C ATOM 458 CD GLU A 31 12.950 10.442 4.872 1.00 21.34 C ATOM 459 OE1 GLU A 31 12.683 11.612 4.520 1.00 73.23 O ATOM 460 OE2 GLU A 31 12.654 9.995 6.002 1.00 71.11 O ATOM 0 H GLU A 31 11.400 7.873 1.024 1.00 21.24 H new ATOM 0 HA GLU A 31 14.223 8.319 1.410 1.00 14.03 H new ATOM 0 HB2 GLU A 31 12.381 9.849 2.183 1.00 41.23 H new ATOM 0 HB3 GLU A 31 11.812 8.597 3.270 1.00 41.23 H new ATOM 0 HG2 GLU A 31 14.072 8.674 4.417 1.00 4.04 H new ATOM 0 HG3 GLU A 31 14.474 10.054 3.415 1.00 4.04 H new ATOM 467 N ASP A 32 12.938 5.618 2.591 1.00 71.20 N ATOM 468 CA ASP A 32 13.138 4.415 3.407 1.00 52.32 C ATOM 469 C ASP A 32 14.257 3.504 2.831 1.00 42.43 C ATOM 470 O ASP A 32 15.078 3.944 2.025 1.00 43.13 O ATOM 471 CB ASP A 32 11.802 3.659 3.521 1.00 5.40 C ATOM 472 CG ASP A 32 11.708 2.830 4.793 1.00 64.41 C ATOM 473 OD1 ASP A 32 11.407 3.406 5.859 1.00 20.12 O ATOM 474 OD2 ASP A 32 11.949 1.608 4.737 1.00 31.02 O ATOM 0 H ASP A 32 12.161 5.553 1.934 1.00 71.20 H new ATOM 0 HA ASP A 32 13.469 4.715 4.401 1.00 52.32 H new ATOM 0 HB2 ASP A 32 10.980 4.375 3.496 1.00 5.40 H new ATOM 0 HB3 ASP A 32 11.683 3.006 2.656 1.00 5.40 H new ATOM 479 N LYS A 33 14.286 2.241 3.258 1.00 24.10 N ATOM 480 CA LYS A 33 15.345 1.294 2.885 1.00 53.30 C ATOM 481 C LYS A 33 15.447 1.080 1.360 1.00 41.52 C ATOM 482 O LYS A 33 16.543 0.895 0.829 1.00 3.34 O ATOM 483 CB LYS A 33 15.079 -0.048 3.579 1.00 40.20 C ATOM 484 CG LYS A 33 16.215 -1.060 3.461 1.00 42.22 C ATOM 485 CD LYS A 33 17.458 -0.607 4.223 1.00 51.33 C ATOM 486 CE LYS A 33 18.553 -1.668 4.205 1.00 50.12 C ATOM 487 NZ LYS A 33 19.722 -1.274 5.034 1.00 53.03 N ATOM 0 H LYS A 33 13.577 1.842 3.873 1.00 24.10 H new ATOM 0 HA LYS A 33 16.296 1.717 3.209 1.00 53.30 H new ATOM 0 HB2 LYS A 33 14.883 0.137 4.635 1.00 40.20 H new ATOM 0 HB3 LYS A 33 14.174 -0.487 3.158 1.00 40.20 H new ATOM 0 HG2 LYS A 33 15.884 -2.025 3.846 1.00 42.22 H new ATOM 0 HG3 LYS A 33 16.465 -1.205 2.410 1.00 42.22 H new ATOM 0 HD2 LYS A 33 17.838 0.315 3.783 1.00 51.33 H new ATOM 0 HD3 LYS A 33 17.189 -0.380 5.255 1.00 51.33 H new ATOM 0 HE2 LYS A 33 18.150 -2.612 4.572 1.00 50.12 H new ATOM 0 HE3 LYS A 33 18.877 -1.838 3.178 1.00 50.12 H new ATOM 0 HZ1 LYS A 33 20.443 -2.022 4.995 1.00 53.03 H new ATOM 0 HZ2 LYS A 33 20.123 -0.387 4.669 1.00 53.03 H new ATOM 0 HZ3 LYS A 33 19.419 -1.137 6.019 1.00 53.03 H new ATOM 501 N ALA A 34 14.299 1.081 0.675 1.00 22.12 N ATOM 502 CA ALA A 34 14.235 0.843 -0.783 1.00 43.33 C ATOM 503 C ALA A 34 14.608 -0.609 -1.154 1.00 71.32 C ATOM 504 O ALA A 34 14.704 -0.960 -2.333 1.00 41.40 O ATOM 505 CB ALA A 34 15.122 1.835 -1.536 1.00 52.11 C ATOM 0 H ALA A 34 13.389 1.245 1.106 1.00 22.12 H new ATOM 0 HA ALA A 34 13.200 0.999 -1.086 1.00 43.33 H new ATOM 0 HB1 ALA A 34 15.058 1.640 -2.607 1.00 52.11 H new ATOM 0 HB2 ALA A 34 14.786 2.852 -1.332 1.00 52.11 H new ATOM 0 HB3 ALA A 34 16.155 1.722 -1.207 1.00 52.11 H new ATOM 511 N PHE A 35 14.811 -1.445 -0.136 1.00 22.01 N ATOM 512 CA PHE A 35 15.112 -2.870 -0.326 1.00 75.13 C ATOM 513 C PHE A 35 14.109 -3.735 0.455 1.00 13.52 C ATOM 514 O PHE A 35 13.593 -3.303 1.484 1.00 64.14 O ATOM 515 CB PHE A 35 16.548 -3.182 0.133 1.00 62.23 C ATOM 516 CG PHE A 35 17.613 -2.476 -0.672 1.00 1.30 C ATOM 517 CD1 PHE A 35 17.849 -2.826 -1.994 1.00 42.41 C ATOM 518 CD2 PHE A 35 18.375 -1.460 -0.110 1.00 73.15 C ATOM 519 CE1 PHE A 35 18.822 -2.182 -2.734 1.00 12.41 C ATOM 520 CE2 PHE A 35 19.348 -0.814 -0.848 1.00 12.31 C ATOM 521 CZ PHE A 35 19.571 -1.174 -2.162 1.00 43.12 C ATOM 0 H PHE A 35 14.772 -1.158 0.842 1.00 22.01 H new ATOM 0 HA PHE A 35 15.026 -3.103 -1.387 1.00 75.13 H new ATOM 0 HB2 PHE A 35 16.653 -2.902 1.181 1.00 62.23 H new ATOM 0 HB3 PHE A 35 16.713 -4.258 0.072 1.00 62.23 H new ATOM 0 HD1 PHE A 35 17.265 -3.612 -2.450 1.00 42.41 H new ATOM 0 HD2 PHE A 35 18.205 -1.171 0.917 1.00 73.15 H new ATOM 0 HE1 PHE A 35 18.996 -2.468 -3.761 1.00 12.41 H new ATOM 0 HE2 PHE A 35 19.934 -0.027 -0.397 1.00 12.31 H new ATOM 0 HZ PHE A 35 20.330 -0.668 -2.741 1.00 43.12 H new ATOM 531 N PRO A 36 13.826 -4.968 -0.020 1.00 54.11 N ATOM 532 CA PRO A 36 12.822 -5.859 0.595 1.00 14.00 C ATOM 533 C PRO A 36 12.987 -6.025 2.117 1.00 34.52 C ATOM 534 O PRO A 36 13.894 -6.718 2.589 1.00 62.32 O ATOM 535 CB PRO A 36 13.041 -7.209 -0.122 1.00 30.05 C ATOM 536 CG PRO A 36 14.321 -7.060 -0.885 1.00 65.00 C ATOM 537 CD PRO A 36 14.454 -5.596 -1.191 1.00 32.04 C ATOM 0 HA PRO A 36 11.818 -5.450 0.479 1.00 14.00 H new ATOM 0 HB2 PRO A 36 13.106 -8.027 0.595 1.00 30.05 H new ATOM 0 HB3 PRO A 36 12.211 -7.436 -0.791 1.00 30.05 H new ATOM 0 HG2 PRO A 36 15.168 -7.414 -0.298 1.00 65.00 H new ATOM 0 HG3 PRO A 36 14.300 -7.650 -1.802 1.00 65.00 H new ATOM 0 HD2 PRO A 36 15.497 -5.298 -1.301 1.00 32.04 H new ATOM 0 HD3 PRO A 36 13.946 -5.327 -2.117 1.00 32.04 H new ATOM 545 N ARG A 37 12.113 -5.371 2.878 1.00 43.42 N ATOM 546 CA ARG A 37 12.101 -5.504 4.337 1.00 11.41 C ATOM 547 C ARG A 37 11.092 -6.578 4.775 1.00 52.21 C ATOM 548 O ARG A 37 11.472 -7.673 5.197 1.00 70.52 O ATOM 549 CB ARG A 37 11.753 -4.161 5.003 1.00 52.34 C ATOM 550 CG ARG A 37 12.543 -2.976 4.454 1.00 15.25 C ATOM 551 CD ARG A 37 12.316 -1.704 5.270 1.00 40.14 C ATOM 552 NE ARG A 37 12.943 -1.781 6.590 1.00 41.21 N ATOM 553 CZ ARG A 37 13.118 -0.762 7.389 1.00 35.44 C ATOM 554 NH1 ARG A 37 12.722 0.424 7.054 1.00 64.31 N ATOM 555 NH2 ARG A 37 13.699 -0.933 8.532 1.00 33.25 N ATOM 0 H ARG A 37 11.401 -4.741 2.509 1.00 43.42 H new ATOM 0 HA ARG A 37 13.099 -5.806 4.655 1.00 11.41 H new ATOM 0 HB2 ARG A 37 10.688 -3.967 4.873 1.00 52.34 H new ATOM 0 HB3 ARG A 37 11.934 -4.240 6.075 1.00 52.34 H new ATOM 0 HG2 ARG A 37 13.605 -3.219 4.452 1.00 15.25 H new ATOM 0 HG3 ARG A 37 12.255 -2.798 3.418 1.00 15.25 H new ATOM 0 HD2 ARG A 37 12.718 -0.848 4.727 1.00 40.14 H new ATOM 0 HD3 ARG A 37 11.246 -1.534 5.386 1.00 40.14 H new ATOM 0 HE ARG A 37 13.266 -2.694 6.909 1.00 41.21 H new ATOM 0 HH11 ARG A 37 12.265 0.574 6.154 1.00 64.31 H new ATOM 0 HH12 ARG A 37 12.866 1.208 7.690 1.00 64.31 H new ATOM 0 HH21 ARG A 37 14.019 -1.861 8.808 1.00 33.25 H new ATOM 0 HH22 ARG A 37 13.837 -0.139 9.158 1.00 33.25 H new ATOM 569 N LEU A 38 9.802 -6.257 4.659 1.00 54.42 N ATOM 570 CA LEU A 38 8.721 -7.171 5.057 1.00 74.12 C ATOM 571 C LEU A 38 7.564 -7.167 4.034 1.00 60.14 C ATOM 572 O LEU A 38 6.480 -7.688 4.307 1.00 2.42 O ATOM 573 CB LEU A 38 8.186 -6.770 6.443 1.00 20.54 C ATOM 574 CG LEU A 38 9.213 -6.797 7.591 1.00 40.55 C ATOM 575 CD1 LEU A 38 8.611 -6.226 8.870 1.00 33.40 C ATOM 576 CD2 LEU A 38 9.724 -8.217 7.830 1.00 35.32 C ATOM 0 H LEU A 38 9.475 -5.364 4.290 1.00 54.42 H new ATOM 0 HA LEU A 38 9.133 -8.179 5.094 1.00 74.12 H new ATOM 0 HB2 LEU A 38 7.772 -5.764 6.375 1.00 20.54 H new ATOM 0 HB3 LEU A 38 7.363 -7.437 6.701 1.00 20.54 H new ATOM 0 HG LEU A 38 10.058 -6.173 7.300 1.00 40.55 H new ATOM 0 HD11 LEU A 38 9.354 -6.255 9.667 1.00 33.40 H new ATOM 0 HD12 LEU A 38 8.303 -5.194 8.698 1.00 33.40 H new ATOM 0 HD13 LEU A 38 7.744 -6.819 9.161 1.00 33.40 H new ATOM 0 HD21 LEU A 38 10.448 -8.211 8.645 1.00 35.32 H new ATOM 0 HD22 LEU A 38 8.888 -8.865 8.092 1.00 35.32 H new ATOM 0 HD23 LEU A 38 10.201 -8.589 6.924 1.00 35.32 H new ATOM 588 N GLU A 39 7.812 -6.610 2.846 1.00 5.12 N ATOM 589 CA GLU A 39 6.759 -6.416 1.827 1.00 50.24 C ATOM 590 C GLU A 39 6.419 -7.713 1.058 1.00 32.30 C ATOM 591 O GLU A 39 6.244 -7.695 -0.165 1.00 5.15 O ATOM 592 CB GLU A 39 7.183 -5.330 0.818 1.00 1.12 C ATOM 593 CG GLU A 39 7.505 -3.967 1.432 1.00 34.54 C ATOM 594 CD GLU A 39 8.786 -3.973 2.254 1.00 53.12 C ATOM 595 OE1 GLU A 39 9.877 -4.078 1.655 1.00 51.41 O ATOM 596 OE2 GLU A 39 8.703 -3.913 3.495 1.00 35.01 O ATOM 0 H GLU A 39 8.734 -6.282 2.559 1.00 5.12 H new ATOM 0 HA GLU A 39 5.864 -6.106 2.366 1.00 50.24 H new ATOM 0 HB2 GLU A 39 8.059 -5.683 0.274 1.00 1.12 H new ATOM 0 HB3 GLU A 39 6.384 -5.203 0.087 1.00 1.12 H new ATOM 0 HG2 GLU A 39 7.594 -3.228 0.636 1.00 34.54 H new ATOM 0 HG3 GLU A 39 6.675 -3.655 2.065 1.00 34.54 H new ATOM 603 N GLU A 40 6.286 -8.829 1.771 1.00 12.54 N ATOM 604 CA GLU A 40 5.965 -10.116 1.136 1.00 53.34 C ATOM 605 C GLU A 40 4.455 -10.260 0.863 1.00 3.12 C ATOM 606 O GLU A 40 4.022 -10.284 -0.291 1.00 5.11 O ATOM 607 CB GLU A 40 6.464 -11.286 2.000 1.00 73.04 C ATOM 608 CG GLU A 40 7.974 -11.297 2.211 1.00 62.45 C ATOM 609 CD GLU A 40 8.456 -12.545 2.933 1.00 63.20 C ATOM 610 OE1 GLU A 40 8.400 -12.577 4.179 1.00 44.11 O ATOM 611 OE2 GLU A 40 8.887 -13.504 2.256 1.00 64.44 O ATOM 0 H GLU A 40 6.394 -8.874 2.784 1.00 12.54 H new ATOM 0 HA GLU A 40 6.479 -10.141 0.175 1.00 53.34 H new ATOM 0 HB2 GLU A 40 5.971 -11.244 2.971 1.00 73.04 H new ATOM 0 HB3 GLU A 40 6.165 -12.224 1.532 1.00 73.04 H new ATOM 0 HG2 GLU A 40 8.472 -11.226 1.244 1.00 62.45 H new ATOM 0 HG3 GLU A 40 8.263 -10.416 2.784 1.00 62.45 H new ATOM 618 N ARG A 41 3.655 -10.348 1.927 1.00 41.31 N ATOM 619 CA ARG A 41 2.198 -10.520 1.793 1.00 24.33 C ATOM 620 C ARG A 41 1.438 -9.182 1.811 1.00 75.12 C ATOM 621 O ARG A 41 0.211 -9.163 1.741 1.00 54.44 O ATOM 622 CB ARG A 41 1.662 -11.455 2.885 1.00 44.33 C ATOM 623 CG ARG A 41 2.025 -12.918 2.647 1.00 64.24 C ATOM 624 CD ARG A 41 1.351 -13.852 3.647 1.00 23.20 C ATOM 625 NE ARG A 41 1.520 -15.253 3.272 1.00 34.03 N ATOM 626 CZ ARG A 41 0.997 -16.254 3.919 1.00 34.43 C ATOM 627 NH1 ARG A 41 0.303 -16.058 4.995 1.00 53.41 N ATOM 628 NH2 ARG A 41 1.167 -17.453 3.474 1.00 64.14 N ATOM 0 H ARG A 41 3.985 -10.304 2.891 1.00 41.31 H new ATOM 0 HA ARG A 41 2.023 -10.972 0.817 1.00 24.33 H new ATOM 0 HB2 ARG A 41 2.057 -11.141 3.851 1.00 44.33 H new ATOM 0 HB3 ARG A 41 0.577 -11.359 2.938 1.00 44.33 H new ATOM 0 HG2 ARG A 41 1.735 -13.202 1.635 1.00 64.24 H new ATOM 0 HG3 ARG A 41 3.106 -13.037 2.714 1.00 64.24 H new ATOM 0 HD2 ARG A 41 1.770 -13.687 4.639 1.00 23.20 H new ATOM 0 HD3 ARG A 41 0.288 -13.616 3.707 1.00 23.20 H new ATOM 0 HE ARG A 41 2.085 -15.461 2.449 1.00 34.03 H new ATOM 0 HH11 ARG A 41 0.161 -15.110 5.345 1.00 53.41 H new ATOM 0 HH12 ARG A 41 -0.101 -16.851 5.493 1.00 53.41 H new ATOM 0 HH21 ARG A 41 1.707 -17.609 2.623 1.00 64.14 H new ATOM 0 HH22 ARG A 41 0.761 -18.245 3.973 1.00 64.14 H new ATOM 642 N HIS A 42 2.176 -8.070 1.896 1.00 54.23 N ATOM 643 CA HIS A 42 1.606 -6.711 1.759 1.00 0.23 C ATOM 644 C HIS A 42 0.791 -6.258 2.992 1.00 1.42 C ATOM 645 O HIS A 42 1.039 -5.182 3.538 1.00 3.25 O ATOM 646 CB HIS A 42 0.731 -6.613 0.496 1.00 33.55 C ATOM 647 CG HIS A 42 1.418 -7.079 -0.755 1.00 64.44 C ATOM 648 ND1 HIS A 42 1.253 -8.344 -1.279 1.00 73.22 N ATOM 649 CD2 HIS A 42 2.273 -6.443 -1.589 1.00 15.24 C ATOM 650 CE1 HIS A 42 1.975 -8.465 -2.373 1.00 1.45 C ATOM 651 NE2 HIS A 42 2.604 -7.328 -2.585 1.00 32.02 N ATOM 0 H HIS A 42 3.183 -8.078 2.061 1.00 54.23 H new ATOM 0 HA HIS A 42 2.459 -6.037 1.675 1.00 0.23 H new ATOM 0 HB2 HIS A 42 -0.173 -7.204 0.645 1.00 33.55 H new ATOM 0 HB3 HIS A 42 0.417 -5.578 0.363 1.00 33.55 H new ATOM 0 HD1 HIS A 42 0.662 -9.074 -0.880 1.00 73.22 H new ATOM 0 HD2 HIS A 42 2.629 -5.428 -1.490 1.00 15.24 H new ATOM 0 HE1 HIS A 42 2.040 -9.348 -2.992 1.00 1.45 H new ATOM 660 N GLN A 43 -0.178 -7.073 3.419 1.00 73.21 N ATOM 661 CA GLN A 43 -1.094 -6.721 4.522 1.00 33.21 C ATOM 662 C GLN A 43 -0.362 -6.193 5.774 1.00 31.13 C ATOM 663 O GLN A 43 -0.865 -5.305 6.467 1.00 72.43 O ATOM 664 CB GLN A 43 -1.954 -7.941 4.895 1.00 25.15 C ATOM 665 CG GLN A 43 -2.902 -7.704 6.071 1.00 11.10 C ATOM 666 CD GLN A 43 -3.778 -8.910 6.374 1.00 3.14 C ATOM 667 OE1 GLN A 43 -3.399 -10.049 6.119 1.00 23.53 O ATOM 668 NE2 GLN A 43 -4.948 -8.674 6.929 1.00 73.45 N ATOM 0 H GLN A 43 -0.354 -7.993 3.015 1.00 73.21 H new ATOM 0 HA GLN A 43 -1.725 -5.909 4.161 1.00 33.21 H new ATOM 0 HB2 GLN A 43 -2.540 -8.238 4.025 1.00 25.15 H new ATOM 0 HB3 GLN A 43 -1.296 -8.775 5.136 1.00 25.15 H new ATOM 0 HG2 GLN A 43 -2.319 -7.452 6.957 1.00 11.10 H new ATOM 0 HG3 GLN A 43 -3.537 -6.845 5.853 1.00 11.10 H new ATOM 0 HE21 GLN A 43 -5.234 -7.715 7.128 1.00 73.45 H new ATOM 0 HE22 GLN A 43 -5.569 -9.450 7.160 1.00 73.45 H new ATOM 677 N VAL A 44 0.825 -6.733 6.057 1.00 72.11 N ATOM 678 CA VAL A 44 1.619 -6.294 7.216 1.00 34.34 C ATOM 679 C VAL A 44 1.908 -4.780 7.179 1.00 74.05 C ATOM 680 O VAL A 44 1.898 -4.112 8.214 1.00 32.34 O ATOM 681 CB VAL A 44 2.957 -7.071 7.315 1.00 22.22 C ATOM 682 CG1 VAL A 44 2.699 -8.562 7.530 1.00 13.22 C ATOM 683 CG2 VAL A 44 3.816 -6.841 6.071 1.00 21.32 C ATOM 0 H VAL A 44 1.260 -7.472 5.505 1.00 72.11 H new ATOM 0 HA VAL A 44 1.016 -6.509 8.098 1.00 34.34 H new ATOM 0 HB VAL A 44 3.507 -6.692 8.177 1.00 22.22 H new ATOM 0 HG11 VAL A 44 3.650 -9.090 7.597 1.00 13.22 H new ATOM 0 HG12 VAL A 44 2.139 -8.705 8.454 1.00 13.22 H new ATOM 0 HG13 VAL A 44 2.123 -8.956 6.692 1.00 13.22 H new ATOM 0 HG21 VAL A 44 4.749 -7.397 6.165 1.00 21.32 H new ATOM 0 HG22 VAL A 44 3.277 -7.184 5.188 1.00 21.32 H new ATOM 0 HG23 VAL A 44 4.035 -5.778 5.972 1.00 21.32 H new ATOM 693 N ILE A 45 2.140 -4.249 5.977 1.00 11.02 N ATOM 694 CA ILE A 45 2.421 -2.818 5.791 1.00 54.51 C ATOM 695 C ILE A 45 1.276 -1.952 6.334 1.00 34.15 C ATOM 696 O ILE A 45 1.505 -0.931 6.985 1.00 3.42 O ATOM 697 CB ILE A 45 2.640 -2.478 4.293 1.00 72.24 C ATOM 698 CG1 ILE A 45 3.769 -3.342 3.706 1.00 72.11 C ATOM 699 CG2 ILE A 45 2.949 -0.988 4.115 1.00 52.23 C ATOM 700 CD1 ILE A 45 3.968 -3.162 2.215 1.00 33.44 C ATOM 0 H ILE A 45 2.139 -4.789 5.112 1.00 11.02 H new ATOM 0 HA ILE A 45 3.333 -2.600 6.347 1.00 54.51 H new ATOM 0 HB ILE A 45 1.720 -2.700 3.752 1.00 72.24 H new ATOM 0 HG12 ILE A 45 4.701 -3.102 4.218 1.00 72.11 H new ATOM 0 HG13 ILE A 45 3.554 -4.391 3.910 1.00 72.11 H new ATOM 0 HG21 ILE A 45 3.099 -0.771 3.057 1.00 52.23 H new ATOM 0 HG22 ILE A 45 2.115 -0.396 4.492 1.00 52.23 H new ATOM 0 HG23 ILE A 45 3.853 -0.735 4.669 1.00 52.23 H new ATOM 0 HD11 ILE A 45 4.781 -3.804 1.876 1.00 33.44 H new ATOM 0 HD12 ILE A 45 3.051 -3.430 1.691 1.00 33.44 H new ATOM 0 HD13 ILE A 45 4.215 -2.122 2.004 1.00 33.44 H new ATOM 712 N ARG A 46 0.038 -2.387 6.075 1.00 42.41 N ATOM 713 CA ARG A 46 -1.156 -1.651 6.507 1.00 43.41 C ATOM 714 C ARG A 46 -1.199 -1.540 8.042 1.00 23.30 C ATOM 715 O ARG A 46 -1.690 -0.552 8.590 1.00 34.43 O ATOM 716 CB ARG A 46 -2.421 -2.344 5.956 1.00 13.11 C ATOM 717 CG ARG A 46 -3.681 -1.471 5.946 1.00 23.52 C ATOM 718 CD ARG A 46 -4.365 -1.389 7.308 1.00 23.42 C ATOM 719 NE ARG A 46 -4.930 -2.672 7.716 1.00 5.33 N ATOM 720 CZ ARG A 46 -5.785 -2.828 8.688 1.00 65.23 C ATOM 721 NH1 ARG A 46 -6.152 -1.819 9.415 1.00 11.53 N ATOM 722 NH2 ARG A 46 -6.258 -3.999 8.944 1.00 21.21 N ATOM 0 H ARG A 46 -0.164 -3.248 5.567 1.00 42.41 H new ATOM 0 HA ARG A 46 -1.117 -0.637 6.108 1.00 43.41 H new ATOM 0 HB2 ARG A 46 -2.220 -2.679 4.938 1.00 13.11 H new ATOM 0 HB3 ARG A 46 -2.618 -3.235 6.552 1.00 13.11 H new ATOM 0 HG2 ARG A 46 -3.416 -0.466 5.618 1.00 23.52 H new ATOM 0 HG3 ARG A 46 -4.386 -1.869 5.216 1.00 23.52 H new ATOM 0 HD2 ARG A 46 -3.645 -1.056 8.056 1.00 23.42 H new ATOM 0 HD3 ARG A 46 -5.156 -0.640 7.272 1.00 23.42 H new ATOM 0 HE ARG A 46 -4.635 -3.504 7.205 1.00 5.33 H new ATOM 0 HH11 ARG A 46 -5.771 -0.891 9.229 1.00 11.53 H new ATOM 0 HH12 ARG A 46 -6.822 -1.953 10.173 1.00 11.53 H new ATOM 0 HH21 ARG A 46 -5.963 -4.801 8.387 1.00 21.21 H new ATOM 0 HH22 ARG A 46 -6.927 -4.124 9.704 1.00 21.21 H new ATOM 736 N ALA A 47 -0.667 -2.550 8.724 1.00 24.35 N ATOM 737 CA ALA A 47 -0.584 -2.534 10.185 1.00 75.13 C ATOM 738 C ALA A 47 0.462 -1.519 10.675 1.00 14.14 C ATOM 739 O ALA A 47 0.177 -0.678 11.531 1.00 73.25 O ATOM 740 CB ALA A 47 -0.260 -3.929 10.712 1.00 41.20 C ATOM 0 H ALA A 47 -0.286 -3.391 8.290 1.00 24.35 H new ATOM 0 HA ALA A 47 -1.555 -2.226 10.573 1.00 75.13 H new ATOM 0 HB1 ALA A 47 -0.201 -3.902 11.800 1.00 41.20 H new ATOM 0 HB2 ALA A 47 -1.043 -4.624 10.408 1.00 41.20 H new ATOM 0 HB3 ALA A 47 0.696 -4.259 10.305 1.00 41.20 H new ATOM 746 N TYR A 48 1.668 -1.590 10.109 1.00 3.25 N ATOM 747 CA TYR A 48 2.769 -0.706 10.515 1.00 61.42 C ATOM 748 C TYR A 48 2.443 0.781 10.287 1.00 15.32 C ATOM 749 O TYR A 48 2.756 1.625 11.129 1.00 54.30 O ATOM 750 CB TYR A 48 4.059 -1.074 9.766 1.00 41.34 C ATOM 751 CG TYR A 48 4.621 -2.432 10.147 1.00 33.32 C ATOM 752 CD1 TYR A 48 5.209 -2.635 11.392 1.00 14.44 C ATOM 753 CD2 TYR A 48 4.570 -3.506 9.266 1.00 42.13 C ATOM 754 CE1 TYR A 48 5.722 -3.867 11.748 1.00 54.11 C ATOM 755 CE2 TYR A 48 5.081 -4.741 9.615 1.00 33.15 C ATOM 756 CZ TYR A 48 5.656 -4.915 10.855 1.00 71.30 C ATOM 757 OH TYR A 48 6.166 -6.145 11.205 1.00 32.54 O ATOM 0 H TYR A 48 1.910 -2.249 9.369 1.00 3.25 H new ATOM 0 HA TYR A 48 2.912 -0.853 11.586 1.00 61.42 H new ATOM 0 HB2 TYR A 48 3.863 -1.060 8.694 1.00 41.34 H new ATOM 0 HB3 TYR A 48 4.812 -0.311 9.962 1.00 41.34 H new ATOM 0 HD1 TYR A 48 5.265 -1.815 12.092 1.00 14.44 H new ATOM 0 HD2 TYR A 48 4.123 -3.373 8.292 1.00 42.13 H new ATOM 0 HE1 TYR A 48 6.172 -4.008 12.720 1.00 54.11 H new ATOM 0 HE2 TYR A 48 5.030 -5.566 8.920 1.00 33.15 H new ATOM 0 HH TYR A 48 5.835 -6.826 10.582 1.00 32.54 H new ATOM 767 N VAL A 49 1.815 1.107 9.157 1.00 2.25 N ATOM 768 CA VAL A 49 1.509 2.509 8.835 1.00 74.22 C ATOM 769 C VAL A 49 0.544 3.141 9.856 1.00 63.31 C ATOM 770 O VAL A 49 0.630 4.333 10.137 1.00 3.34 O ATOM 771 CB VAL A 49 0.930 2.674 7.407 1.00 53.03 C ATOM 772 CG1 VAL A 49 1.930 2.186 6.362 1.00 10.22 C ATOM 773 CG2 VAL A 49 -0.407 1.951 7.265 1.00 73.43 C ATOM 0 H VAL A 49 1.510 0.433 8.455 1.00 2.25 H new ATOM 0 HA VAL A 49 2.463 3.035 8.883 1.00 74.22 H new ATOM 0 HB VAL A 49 0.750 3.735 7.237 1.00 53.03 H new ATOM 0 HG11 VAL A 49 1.505 2.310 5.366 1.00 10.22 H new ATOM 0 HG12 VAL A 49 2.849 2.766 6.439 1.00 10.22 H new ATOM 0 HG13 VAL A 49 2.151 1.132 6.534 1.00 10.22 H new ATOM 0 HG21 VAL A 49 -0.788 2.085 6.252 1.00 73.43 H new ATOM 0 HG22 VAL A 49 -0.269 0.888 7.463 1.00 73.43 H new ATOM 0 HG23 VAL A 49 -1.121 2.363 7.978 1.00 73.43 H new ATOM 783 N MET A 50 -0.354 2.335 10.427 1.00 33.45 N ATOM 784 CA MET A 50 -1.290 2.828 11.450 1.00 71.13 C ATOM 785 C MET A 50 -0.563 3.133 12.774 1.00 22.22 C ATOM 786 O MET A 50 -1.088 3.839 13.637 1.00 20.54 O ATOM 787 CB MET A 50 -2.411 1.805 11.695 1.00 12.20 C ATOM 788 CG MET A 50 -3.266 1.515 10.467 1.00 13.51 C ATOM 789 SD MET A 50 -4.626 0.375 10.813 1.00 51.34 S ATOM 790 CE MET A 50 -3.733 -1.043 11.450 1.00 11.02 C ATOM 0 H MET A 50 -0.456 1.345 10.203 1.00 33.45 H new ATOM 0 HA MET A 50 -1.727 3.754 11.077 1.00 71.13 H new ATOM 0 HB2 MET A 50 -1.968 0.873 12.045 1.00 12.20 H new ATOM 0 HB3 MET A 50 -3.055 2.171 12.495 1.00 12.20 H new ATOM 0 HG2 MET A 50 -3.671 2.451 10.083 1.00 13.51 H new ATOM 0 HG3 MET A 50 -2.636 1.095 9.683 1.00 13.51 H new ATOM 0 HE1 MET A 50 -3.858 -1.887 10.771 1.00 11.02 H new ATOM 0 HE2 MET A 50 -2.674 -0.798 11.534 1.00 11.02 H new ATOM 0 HE3 MET A 50 -4.123 -1.307 12.433 1.00 11.02 H new ATOM 800 N SER A 51 0.641 2.583 12.932 1.00 1.23 N ATOM 801 CA SER A 51 1.458 2.817 14.135 1.00 35.14 C ATOM 802 C SER A 51 2.562 3.861 13.891 1.00 31.10 C ATOM 803 O SER A 51 2.961 4.583 14.806 1.00 74.25 O ATOM 804 CB SER A 51 2.096 1.502 14.611 1.00 1.20 C ATOM 805 OG SER A 51 2.903 1.707 15.760 1.00 61.30 O ATOM 0 H SER A 51 1.078 1.970 12.243 1.00 1.23 H new ATOM 0 HA SER A 51 0.790 3.205 14.904 1.00 35.14 H new ATOM 0 HB2 SER A 51 1.314 0.777 14.838 1.00 1.20 H new ATOM 0 HB3 SER A 51 2.701 1.078 13.810 1.00 1.20 H new ATOM 0 HG SER A 51 3.295 0.854 16.041 1.00 61.30 H new ATOM 811 N ASN A 52 3.061 3.931 12.660 1.00 12.01 N ATOM 812 CA ASN A 52 4.157 4.853 12.317 1.00 42.53 C ATOM 813 C ASN A 52 3.650 6.208 11.795 1.00 3.22 C ATOM 814 O ASN A 52 4.280 7.243 12.025 1.00 23.14 O ATOM 815 CB ASN A 52 5.082 4.203 11.282 1.00 71.14 C ATOM 816 CG ASN A 52 5.968 3.132 11.895 1.00 13.04 C ATOM 817 OD1 ASN A 52 7.098 3.401 12.292 1.00 24.43 O ATOM 818 ND2 ASN A 52 5.470 1.916 11.990 1.00 44.33 N ATOM 0 H ASN A 52 2.729 3.364 11.880 1.00 12.01 H new ATOM 0 HA ASN A 52 4.710 5.052 13.235 1.00 42.53 H new ATOM 0 HB2 ASN A 52 4.481 3.763 10.486 1.00 71.14 H new ATOM 0 HB3 ASN A 52 5.706 4.970 10.823 1.00 71.14 H new ATOM 0 HD21 ASN A 52 6.027 1.168 12.402 1.00 44.33 H new ATOM 0 HD22 ASN A 52 4.527 1.723 11.651 1.00 44.33 H new ATOM 825 N TYR A 53 2.522 6.206 11.089 1.00 51.23 N ATOM 826 CA TYR A 53 1.968 7.443 10.524 1.00 35.31 C ATOM 827 C TYR A 53 0.733 7.915 11.308 1.00 61.21 C ATOM 828 O TYR A 53 -0.037 7.110 11.830 1.00 13.12 O ATOM 829 CB TYR A 53 1.609 7.247 9.044 1.00 22.11 C ATOM 830 CG TYR A 53 2.787 6.848 8.175 1.00 42.12 C ATOM 831 CD1 TYR A 53 4.032 7.456 8.327 1.00 54.04 C ATOM 832 CD2 TYR A 53 2.657 5.863 7.203 1.00 50.22 C ATOM 833 CE1 TYR A 53 5.105 7.093 7.538 1.00 51.25 C ATOM 834 CE2 TYR A 53 3.727 5.494 6.410 1.00 1.13 C ATOM 835 CZ TYR A 53 4.949 6.112 6.580 1.00 71.33 C ATOM 836 OH TYR A 53 6.020 5.748 5.791 1.00 71.25 O ATOM 0 H TYR A 53 1.973 5.369 10.893 1.00 51.23 H new ATOM 0 HA TYR A 53 2.735 8.213 10.604 1.00 35.31 H new ATOM 0 HB2 TYR A 53 0.836 6.482 8.966 1.00 22.11 H new ATOM 0 HB3 TYR A 53 1.182 8.172 8.658 1.00 22.11 H new ATOM 0 HD1 TYR A 53 4.159 8.224 9.075 1.00 54.04 H new ATOM 0 HD2 TYR A 53 1.702 5.377 7.065 1.00 50.22 H new ATOM 0 HE1 TYR A 53 6.063 7.575 7.670 1.00 51.25 H new ATOM 0 HE2 TYR A 53 3.607 4.725 5.661 1.00 1.13 H new ATOM 0 HH TYR A 53 5.743 5.044 5.168 1.00 71.25 H new ATOM 846 N THR A 54 0.560 9.232 11.390 1.00 64.41 N ATOM 847 CA THR A 54 -0.564 9.834 12.123 1.00 72.33 C ATOM 848 C THR A 54 -1.553 10.541 11.185 1.00 32.01 C ATOM 849 O THR A 54 -2.740 10.676 11.501 1.00 32.35 O ATOM 850 CB THR A 54 -0.057 10.863 13.164 1.00 45.41 C ATOM 851 OG1 THR A 54 0.712 11.884 12.507 1.00 23.02 O ATOM 852 CG2 THR A 54 0.800 10.193 14.236 1.00 74.33 C ATOM 0 H THR A 54 1.185 9.911 10.957 1.00 64.41 H new ATOM 0 HA THR A 54 -1.077 9.013 12.624 1.00 72.33 H new ATOM 0 HB THR A 54 -0.927 11.307 13.647 1.00 45.41 H new ATOM 0 HG1 THR A 54 1.028 12.533 13.170 1.00 23.02 H new ATOM 0 HG21 THR A 54 1.140 10.942 14.951 1.00 74.33 H new ATOM 0 HG22 THR A 54 0.209 9.438 14.755 1.00 74.33 H new ATOM 0 HG23 THR A 54 1.663 9.720 13.768 1.00 74.33 H new ATOM 860 N ASP A 55 -1.064 10.989 10.033 1.00 73.43 N ATOM 861 CA ASP A 55 -1.872 11.785 9.104 1.00 72.44 C ATOM 862 C ASP A 55 -2.673 10.919 8.114 1.00 43.03 C ATOM 863 O ASP A 55 -2.273 9.807 7.759 1.00 15.23 O ATOM 864 CB ASP A 55 -0.973 12.759 8.338 1.00 74.11 C ATOM 865 CG ASP A 55 -1.773 13.645 7.406 1.00 50.12 C ATOM 866 OD1 ASP A 55 -2.409 14.603 7.893 1.00 64.43 O ATOM 867 OD2 ASP A 55 -1.804 13.366 6.192 1.00 60.24 O ATOM 0 H ASP A 55 -0.110 10.816 9.716 1.00 73.43 H new ATOM 0 HA ASP A 55 -2.598 12.336 9.702 1.00 72.44 H new ATOM 0 HB2 ASP A 55 -0.422 13.379 9.045 1.00 74.11 H new ATOM 0 HB3 ASP A 55 -0.236 12.198 7.763 1.00 74.11 H new ATOM 872 N HIS A 56 -3.800 11.469 7.653 1.00 61.11 N ATOM 873 CA HIS A 56 -4.704 10.770 6.734 1.00 12.21 C ATOM 874 C HIS A 56 -4.035 10.423 5.395 1.00 20.44 C ATOM 875 O HIS A 56 -4.089 9.278 4.955 1.00 64.40 O ATOM 876 CB HIS A 56 -5.954 11.619 6.472 1.00 12.31 C ATOM 877 CG HIS A 56 -6.767 11.888 7.697 1.00 13.23 C ATOM 878 ND1 HIS A 56 -6.911 13.143 8.248 1.00 34.24 N ATOM 879 CD2 HIS A 56 -7.491 11.054 8.480 1.00 33.20 C ATOM 880 CE1 HIS A 56 -7.683 13.069 9.310 1.00 51.54 C ATOM 881 NE2 HIS A 56 -8.049 11.816 9.473 1.00 70.43 N ATOM 0 H HIS A 56 -4.111 12.407 7.905 1.00 61.11 H new ATOM 0 HA HIS A 56 -4.980 9.833 7.218 1.00 12.21 H new ATOM 0 HB2 HIS A 56 -5.651 12.569 6.032 1.00 12.31 H new ATOM 0 HB3 HIS A 56 -6.579 11.112 5.736 1.00 12.31 H new ATOM 0 HD2 HIS A 56 -7.607 9.989 8.347 1.00 33.20 H new ATOM 0 HE1 HIS A 56 -7.968 13.897 9.942 1.00 51.54 H new ATOM 0 HE2 HIS A 56 -8.651 11.468 10.219 1.00 70.43 H new ATOM 890 N GLN A 57 -3.395 11.408 4.756 1.00 51.20 N ATOM 891 CA GLN A 57 -2.825 11.216 3.412 1.00 52.53 C ATOM 892 C GLN A 57 -1.841 10.035 3.364 1.00 71.42 C ATOM 893 O GLN A 57 -1.806 9.282 2.389 1.00 21.31 O ATOM 894 CB GLN A 57 -2.124 12.495 2.917 1.00 55.35 C ATOM 895 CG GLN A 57 -3.071 13.641 2.554 1.00 10.43 C ATOM 896 CD GLN A 57 -3.680 14.340 3.761 1.00 34.23 C ATOM 897 OE1 GLN A 57 -3.125 15.305 4.277 1.00 74.42 O ATOM 898 NE2 GLN A 57 -4.822 13.872 4.215 1.00 5.13 N ATOM 0 H GLN A 57 -3.258 12.342 5.142 1.00 51.20 H new ATOM 0 HA GLN A 57 -3.661 10.988 2.751 1.00 52.53 H new ATOM 0 HB2 GLN A 57 -1.437 12.840 3.690 1.00 55.35 H new ATOM 0 HB3 GLN A 57 -1.522 12.248 2.043 1.00 55.35 H new ATOM 0 HG2 GLN A 57 -2.528 14.374 1.957 1.00 10.43 H new ATOM 0 HG3 GLN A 57 -3.874 13.252 1.928 1.00 10.43 H new ATOM 0 HE21 GLN A 57 -5.259 13.068 3.764 1.00 5.13 H new ATOM 0 HE22 GLN A 57 -5.271 14.313 5.018 1.00 5.13 H new ATOM 907 N LEU A 58 -1.051 9.876 4.420 1.00 70.55 N ATOM 908 CA LEU A 58 -0.066 8.791 4.493 1.00 4.24 C ATOM 909 C LEU A 58 -0.729 7.418 4.715 1.00 10.21 C ATOM 910 O LEU A 58 -0.362 6.431 4.079 1.00 2.55 O ATOM 911 CB LEU A 58 0.944 9.071 5.614 1.00 53.13 C ATOM 912 CG LEU A 58 1.766 10.362 5.455 1.00 55.13 C ATOM 913 CD1 LEU A 58 2.700 10.563 6.646 1.00 14.22 C ATOM 914 CD2 LEU A 58 2.552 10.346 4.144 1.00 32.50 C ATOM 0 H LEU A 58 -1.070 10.482 5.240 1.00 70.55 H new ATOM 0 HA LEU A 58 0.450 8.755 3.534 1.00 4.24 H new ATOM 0 HB2 LEU A 58 0.406 9.117 6.561 1.00 53.13 H new ATOM 0 HB3 LEU A 58 1.632 8.228 5.679 1.00 53.13 H new ATOM 0 HG LEU A 58 1.073 11.203 5.425 1.00 55.13 H new ATOM 0 HD11 LEU A 58 3.270 11.482 6.510 1.00 14.22 H new ATOM 0 HD12 LEU A 58 2.112 10.632 7.561 1.00 14.22 H new ATOM 0 HD13 LEU A 58 3.385 9.718 6.718 1.00 14.22 H new ATOM 0 HD21 LEU A 58 3.126 11.268 4.052 1.00 32.50 H new ATOM 0 HD22 LEU A 58 3.231 9.494 4.138 1.00 32.50 H new ATOM 0 HD23 LEU A 58 1.860 10.265 3.306 1.00 32.50 H new ATOM 926 N ILE A 59 -1.705 7.360 5.618 1.00 13.21 N ATOM 927 CA ILE A 59 -2.365 6.094 5.967 1.00 22.13 C ATOM 928 C ILE A 59 -3.388 5.659 4.900 1.00 52.54 C ATOM 929 O ILE A 59 -3.358 4.520 4.420 1.00 25.22 O ATOM 930 CB ILE A 59 -3.073 6.207 7.341 1.00 3.13 C ATOM 931 CG1 ILE A 59 -2.064 6.628 8.426 1.00 33.34 C ATOM 932 CG2 ILE A 59 -3.749 4.887 7.716 1.00 34.52 C ATOM 933 CD1 ILE A 59 -2.687 6.852 9.788 1.00 45.22 C ATOM 0 H ILE A 59 -2.060 8.172 6.124 1.00 13.21 H new ATOM 0 HA ILE A 59 -1.584 5.336 6.017 1.00 22.13 H new ATOM 0 HB ILE A 59 -3.846 6.972 7.268 1.00 3.13 H new ATOM 0 HG12 ILE A 59 -1.295 5.860 8.511 1.00 33.34 H new ATOM 0 HG13 ILE A 59 -1.566 7.545 8.110 1.00 33.34 H new ATOM 0 HG21 ILE A 59 -4.239 4.991 8.684 1.00 34.52 H new ATOM 0 HG22 ILE A 59 -4.491 4.630 6.960 1.00 34.52 H new ATOM 0 HG23 ILE A 59 -3.000 4.097 7.772 1.00 34.52 H new ATOM 0 HD11 ILE A 59 -1.914 7.146 10.498 1.00 45.22 H new ATOM 0 HD12 ILE A 59 -3.436 7.641 9.720 1.00 45.22 H new ATOM 0 HD13 ILE A 59 -3.160 5.931 10.128 1.00 45.22 H new ATOM 945 N GLU A 60 -4.289 6.575 4.539 1.00 72.32 N ATOM 946 CA GLU A 60 -5.373 6.297 3.583 1.00 44.34 C ATOM 947 C GLU A 60 -4.827 5.764 2.247 1.00 65.42 C ATOM 948 O GLU A 60 -5.257 4.714 1.767 1.00 31.20 O ATOM 949 CB GLU A 60 -6.215 7.572 3.369 1.00 73.32 C ATOM 950 CG GLU A 60 -7.500 7.376 2.555 1.00 14.12 C ATOM 951 CD GLU A 60 -7.308 7.550 1.050 1.00 45.24 C ATOM 952 OE1 GLU A 60 -7.066 8.694 0.608 1.00 53.34 O ATOM 953 OE2 GLU A 60 -7.417 6.558 0.302 1.00 33.12 O ATOM 0 H GLU A 60 -4.291 7.530 4.898 1.00 72.32 H new ATOM 0 HA GLU A 60 -6.010 5.517 4.000 1.00 44.34 H new ATOM 0 HB2 GLU A 60 -6.480 7.981 4.344 1.00 73.32 H new ATOM 0 HB3 GLU A 60 -5.597 8.317 2.868 1.00 73.32 H new ATOM 0 HG2 GLU A 60 -7.893 6.378 2.749 1.00 14.12 H new ATOM 0 HG3 GLU A 60 -8.250 8.087 2.901 1.00 14.12 H new ATOM 960 N THR A 61 -3.859 6.475 1.671 1.00 12.45 N ATOM 961 CA THR A 61 -3.253 6.075 0.391 1.00 10.52 C ATOM 962 C THR A 61 -2.645 4.663 0.460 1.00 64.23 C ATOM 963 O THR A 61 -2.740 3.886 -0.493 1.00 65.23 O ATOM 964 CB THR A 61 -2.155 7.079 -0.044 1.00 64.10 C ATOM 965 OG1 THR A 61 -2.698 8.409 -0.104 1.00 61.41 O ATOM 966 CG2 THR A 61 -1.569 6.709 -1.405 1.00 13.32 C ATOM 0 H THR A 61 -3.474 7.333 2.067 1.00 12.45 H new ATOM 0 HA THR A 61 -4.056 6.073 -0.346 1.00 10.52 H new ATOM 0 HB THR A 61 -1.357 7.039 0.697 1.00 64.10 H new ATOM 0 HG1 THR A 61 -2.465 8.895 0.715 1.00 61.41 H new ATOM 0 HG21 THR A 61 -0.802 7.433 -1.680 1.00 13.32 H new ATOM 0 HG22 THR A 61 -1.126 5.714 -1.352 1.00 13.32 H new ATOM 0 HG23 THR A 61 -2.360 6.715 -2.155 1.00 13.32 H new ATOM 974 N THR A 62 -2.035 4.332 1.598 1.00 73.03 N ATOM 975 CA THR A 62 -1.385 3.023 1.781 1.00 35.12 C ATOM 976 C THR A 62 -2.389 1.861 1.715 1.00 0.31 C ATOM 977 O THR A 62 -2.248 0.960 0.887 1.00 61.45 O ATOM 978 CB THR A 62 -0.610 2.948 3.119 1.00 72.45 C ATOM 979 OG1 THR A 62 0.442 3.922 3.134 1.00 3.34 O ATOM 980 CG2 THR A 62 -0.016 1.559 3.339 1.00 23.03 C ATOM 0 H THR A 62 -1.974 4.947 2.409 1.00 73.03 H new ATOM 0 HA THR A 62 -0.681 2.923 0.955 1.00 35.12 H new ATOM 0 HB THR A 62 -1.316 3.154 3.924 1.00 72.45 H new ATOM 0 HG1 THR A 62 0.095 4.774 3.472 1.00 3.34 H new ATOM 0 HG21 THR A 62 0.522 1.539 4.287 1.00 23.03 H new ATOM 0 HG22 THR A 62 -0.817 0.820 3.361 1.00 23.03 H new ATOM 0 HG23 THR A 62 0.672 1.325 2.527 1.00 23.03 H new ATOM 988 N ASN A 63 -3.403 1.875 2.590 1.00 41.34 N ATOM 989 CA ASN A 63 -4.406 0.795 2.604 1.00 4.33 C ATOM 990 C ASN A 63 -5.168 0.740 1.273 1.00 62.25 C ATOM 991 O ASN A 63 -5.580 -0.330 0.818 1.00 53.23 O ATOM 992 CB ASN A 63 -5.383 0.952 3.781 1.00 12.03 C ATOM 993 CG ASN A 63 -6.173 2.250 3.747 1.00 52.21 C ATOM 994 OD1 ASN A 63 -7.225 2.339 3.125 1.00 70.20 O ATOM 995 ND2 ASN A 63 -5.690 3.259 4.436 1.00 64.20 N ATOM 0 H ASN A 63 -3.552 2.606 3.286 1.00 41.34 H new ATOM 0 HA ASN A 63 -3.874 -0.147 2.735 1.00 4.33 H new ATOM 0 HB2 ASN A 63 -6.079 0.113 3.779 1.00 12.03 H new ATOM 0 HB3 ASN A 63 -4.824 0.901 4.715 1.00 12.03 H new ATOM 0 HD21 ASN A 63 -6.193 4.146 4.463 1.00 64.20 H new ATOM 0 HD22 ASN A 63 -4.812 3.156 4.944 1.00 64.20 H new ATOM 1002 N ARG A 64 -5.335 1.906 0.659 1.00 40.43 N ATOM 1003 CA ARG A 64 -5.946 2.022 -0.665 1.00 30.33 C ATOM 1004 C ARG A 64 -5.172 1.186 -1.700 1.00 33.02 C ATOM 1005 O ARG A 64 -5.739 0.317 -2.365 1.00 43.20 O ATOM 1006 CB ARG A 64 -5.950 3.500 -1.074 1.00 73.42 C ATOM 1007 CG ARG A 64 -6.785 3.823 -2.305 1.00 65.43 C ATOM 1008 CD ARG A 64 -6.716 5.310 -2.632 1.00 65.03 C ATOM 1009 NE ARG A 64 -7.713 5.712 -3.622 1.00 24.21 N ATOM 1010 CZ ARG A 64 -8.608 6.640 -3.416 1.00 23.44 C ATOM 1011 NH1 ARG A 64 -8.710 7.210 -2.254 1.00 20.21 N ATOM 1012 NH2 ARG A 64 -9.416 6.985 -4.365 1.00 4.21 N ATOM 0 H ARG A 64 -5.052 2.799 1.063 1.00 40.43 H new ATOM 0 HA ARG A 64 -6.967 1.642 -0.627 1.00 30.33 H new ATOM 0 HB2 ARG A 64 -6.319 4.092 -0.237 1.00 73.42 H new ATOM 0 HB3 ARG A 64 -4.922 3.814 -1.258 1.00 73.42 H new ATOM 0 HG2 ARG A 64 -6.427 3.242 -3.155 1.00 65.43 H new ATOM 0 HG3 ARG A 64 -7.821 3.532 -2.134 1.00 65.43 H new ATOM 0 HD2 ARG A 64 -6.862 5.887 -1.719 1.00 65.03 H new ATOM 0 HD3 ARG A 64 -5.721 5.551 -3.005 1.00 65.03 H new ATOM 0 HE ARG A 64 -7.709 5.240 -4.526 1.00 24.21 H new ATOM 0 HH11 ARG A 64 -8.088 6.934 -1.494 1.00 20.21 H new ATOM 0 HH12 ARG A 64 -9.412 7.934 -2.101 1.00 20.21 H new ATOM 0 HH21 ARG A 64 -9.355 6.532 -5.277 1.00 4.21 H new ATOM 0 HH22 ARG A 64 -10.114 7.710 -4.202 1.00 4.21 H new ATOM 1026 N ALA A 65 -3.869 1.449 -1.809 1.00 45.10 N ATOM 1027 CA ALA A 65 -2.993 0.726 -2.742 1.00 15.44 C ATOM 1028 C ALA A 65 -3.053 -0.795 -2.526 1.00 64.11 C ATOM 1029 O ALA A 65 -3.220 -1.562 -3.478 1.00 74.10 O ATOM 1030 CB ALA A 65 -1.556 1.221 -2.600 1.00 45.20 C ATOM 0 H ALA A 65 -3.391 2.163 -1.259 1.00 45.10 H new ATOM 0 HA ALA A 65 -3.349 0.927 -3.752 1.00 15.44 H new ATOM 0 HB1 ALA A 65 -0.914 0.680 -3.295 1.00 45.20 H new ATOM 0 HB2 ALA A 65 -1.515 2.287 -2.823 1.00 45.20 H new ATOM 0 HB3 ALA A 65 -1.211 1.050 -1.580 1.00 45.20 H new ATOM 1036 N ILE A 66 -2.927 -1.220 -1.269 1.00 50.13 N ATOM 1037 CA ILE A 66 -2.954 -2.648 -0.922 1.00 4.21 C ATOM 1038 C ILE A 66 -4.261 -3.325 -1.385 1.00 60.25 C ATOM 1039 O ILE A 66 -4.252 -4.471 -1.851 1.00 62.22 O ATOM 1040 CB ILE A 66 -2.775 -2.856 0.607 1.00 2.11 C ATOM 1041 CG1 ILE A 66 -1.464 -2.204 1.093 1.00 65.42 C ATOM 1042 CG2 ILE A 66 -2.802 -4.344 0.963 1.00 34.13 C ATOM 1043 CD1 ILE A 66 -0.212 -2.766 0.446 1.00 73.21 C ATOM 0 H ILE A 66 -2.805 -0.598 -0.470 1.00 50.13 H new ATOM 0 HA ILE A 66 -2.120 -3.114 -1.446 1.00 4.21 H new ATOM 0 HB ILE A 66 -3.609 -2.372 1.115 1.00 2.11 H new ATOM 0 HG12 ILE A 66 -1.510 -1.133 0.898 1.00 65.42 H new ATOM 0 HG13 ILE A 66 -1.388 -2.328 2.173 1.00 65.42 H new ATOM 0 HG21 ILE A 66 -2.675 -4.463 2.039 1.00 34.13 H new ATOM 0 HG22 ILE A 66 -3.757 -4.773 0.661 1.00 34.13 H new ATOM 0 HG23 ILE A 66 -1.993 -4.857 0.443 1.00 34.13 H new ATOM 0 HD11 ILE A 66 0.664 -2.253 0.843 1.00 73.21 H new ATOM 0 HD12 ILE A 66 -0.138 -3.832 0.662 1.00 73.21 H new ATOM 0 HD13 ILE A 66 -0.262 -2.617 -0.633 1.00 73.21 H new ATOM 1055 N SER A 67 -5.378 -2.605 -1.272 1.00 72.44 N ATOM 1056 CA SER A 67 -6.691 -3.132 -1.677 1.00 63.23 C ATOM 1057 C SER A 67 -6.733 -3.445 -3.182 1.00 53.21 C ATOM 1058 O SER A 67 -7.332 -4.441 -3.604 1.00 20.52 O ATOM 1059 CB SER A 67 -7.806 -2.138 -1.318 1.00 3.32 C ATOM 1060 OG SER A 67 -9.091 -2.659 -1.632 1.00 52.21 O ATOM 0 H SER A 67 -5.404 -1.654 -0.904 1.00 72.44 H new ATOM 0 HA SER A 67 -6.852 -4.062 -1.132 1.00 63.23 H new ATOM 0 HB2 SER A 67 -7.757 -1.904 -0.255 1.00 3.32 H new ATOM 0 HB3 SER A 67 -7.649 -1.204 -1.857 1.00 3.32 H new ATOM 0 HG SER A 67 -9.778 -2.003 -1.390 1.00 52.21 H new ATOM 1066 N LEU A 68 -6.071 -2.611 -3.986 1.00 15.52 N ATOM 1067 CA LEU A 68 -6.001 -2.822 -5.443 1.00 4.30 C ATOM 1068 C LEU A 68 -5.084 -4.004 -5.815 1.00 2.35 C ATOM 1069 O LEU A 68 -4.914 -4.322 -6.995 1.00 23.30 O ATOM 1070 CB LEU A 68 -5.539 -1.541 -6.163 1.00 13.45 C ATOM 1071 CG LEU A 68 -6.620 -0.465 -6.381 1.00 11.31 C ATOM 1072 CD1 LEU A 68 -7.763 -1.010 -7.238 1.00 75.54 C ATOM 1073 CD2 LEU A 68 -7.146 0.072 -5.050 1.00 21.10 C ATOM 0 H LEU A 68 -5.574 -1.782 -3.658 1.00 15.52 H new ATOM 0 HA LEU A 68 -7.009 -3.069 -5.776 1.00 4.30 H new ATOM 0 HB2 LEU A 68 -4.724 -1.099 -5.590 1.00 13.45 H new ATOM 0 HB3 LEU A 68 -5.131 -1.820 -7.134 1.00 13.45 H new ATOM 0 HG LEU A 68 -6.159 0.366 -6.915 1.00 11.31 H new ATOM 0 HD11 LEU A 68 -8.515 -0.233 -7.379 1.00 75.54 H new ATOM 0 HD12 LEU A 68 -7.375 -1.319 -8.208 1.00 75.54 H new ATOM 0 HD13 LEU A 68 -8.216 -1.867 -6.739 1.00 75.54 H new ATOM 0 HD21 LEU A 68 -7.907 0.829 -5.238 1.00 21.10 H new ATOM 0 HD22 LEU A 68 -7.582 -0.745 -4.475 1.00 21.10 H new ATOM 0 HD23 LEU A 68 -6.325 0.515 -4.486 1.00 21.10 H new ATOM 1085 N TYR A 69 -4.489 -4.639 -4.810 1.00 23.33 N ATOM 1086 CA TYR A 69 -3.726 -5.878 -5.013 1.00 33.14 C ATOM 1087 C TYR A 69 -4.499 -7.094 -4.486 1.00 33.22 C ATOM 1088 O TYR A 69 -4.733 -8.056 -5.218 1.00 24.34 O ATOM 1089 CB TYR A 69 -2.358 -5.792 -4.324 1.00 2.21 C ATOM 1090 CG TYR A 69 -1.353 -4.942 -5.074 1.00 65.43 C ATOM 1091 CD1 TYR A 69 -0.718 -5.436 -6.209 1.00 12.02 C ATOM 1092 CD2 TYR A 69 -1.042 -3.651 -4.660 1.00 54.13 C ATOM 1093 CE1 TYR A 69 0.195 -4.674 -6.906 1.00 54.11 C ATOM 1094 CE2 TYR A 69 -0.128 -2.882 -5.354 1.00 2.20 C ATOM 1095 CZ TYR A 69 0.486 -3.400 -6.476 1.00 44.41 C ATOM 1096 OH TYR A 69 1.397 -2.641 -7.173 1.00 60.41 O ATOM 0 H TYR A 69 -4.518 -4.319 -3.842 1.00 23.33 H new ATOM 0 HA TYR A 69 -3.575 -6.001 -6.085 1.00 33.14 H new ATOM 0 HB2 TYR A 69 -2.490 -5.384 -3.322 1.00 2.21 H new ATOM 0 HB3 TYR A 69 -1.955 -6.798 -4.208 1.00 2.21 H new ATOM 0 HD1 TYR A 69 -0.945 -6.435 -6.550 1.00 12.02 H new ATOM 0 HD2 TYR A 69 -1.522 -3.244 -3.783 1.00 54.13 H new ATOM 0 HE1 TYR A 69 0.679 -5.075 -7.784 1.00 54.11 H new ATOM 0 HE2 TYR A 69 0.105 -1.881 -5.020 1.00 2.20 H new ATOM 0 HH TYR A 69 2.196 -2.503 -6.623 1.00 60.41 H new ATOM 1106 N MET A 70 -4.901 -7.039 -3.219 1.00 25.42 N ATOM 1107 CA MET A 70 -5.591 -8.164 -2.573 1.00 12.33 C ATOM 1108 C MET A 70 -6.969 -8.436 -3.208 1.00 2.24 C ATOM 1109 O MET A 70 -7.172 -9.461 -3.862 1.00 24.31 O ATOM 1110 CB MET A 70 -5.750 -7.892 -1.071 1.00 4.41 C ATOM 1111 CG MET A 70 -4.440 -7.628 -0.327 1.00 5.03 C ATOM 1112 SD MET A 70 -3.391 -9.096 -0.157 1.00 63.33 S ATOM 1113 CE MET A 70 -2.533 -9.141 -1.733 1.00 43.05 C ATOM 0 H MET A 70 -4.763 -6.229 -2.615 1.00 25.42 H new ATOM 0 HA MET A 70 -4.978 -9.053 -2.720 1.00 12.33 H new ATOM 0 HB2 MET A 70 -6.407 -7.032 -0.939 1.00 4.41 H new ATOM 0 HB3 MET A 70 -6.247 -8.746 -0.612 1.00 4.41 H new ATOM 0 HG2 MET A 70 -3.883 -6.853 -0.854 1.00 5.03 H new ATOM 0 HG3 MET A 70 -4.668 -7.238 0.665 1.00 5.03 H new ATOM 0 HE1 MET A 70 -2.931 -9.954 -2.341 1.00 43.05 H new ATOM 0 HE2 MET A 70 -2.678 -8.194 -2.254 1.00 43.05 H new ATOM 0 HE3 MET A 70 -1.468 -9.302 -1.563 1.00 43.05 H new ATOM 1123 N ALA A 71 -7.906 -7.498 -3.026 1.00 3.01 N ATOM 1124 CA ALA A 71 -9.276 -7.643 -3.549 1.00 73.54 C ATOM 1125 C ALA A 71 -9.296 -7.811 -5.076 1.00 35.24 C ATOM 1126 O ALA A 71 -10.204 -8.429 -5.638 1.00 14.13 O ATOM 1127 CB ALA A 71 -10.118 -6.437 -3.146 1.00 35.52 C ATOM 0 H ALA A 71 -7.743 -6.628 -2.520 1.00 3.01 H new ATOM 0 HA ALA A 71 -9.699 -8.548 -3.114 1.00 73.54 H new ATOM 0 HB1 ALA A 71 -11.129 -6.552 -3.537 1.00 35.52 H new ATOM 0 HB2 ALA A 71 -10.155 -6.366 -2.059 1.00 35.52 H new ATOM 0 HB3 ALA A 71 -9.673 -5.530 -3.554 1.00 35.52 H new ATOM 1133 N ASN A 72 -8.296 -7.245 -5.743 1.00 52.42 N ATOM 1134 CA ASN A 72 -8.185 -7.341 -7.200 1.00 23.52 C ATOM 1135 C ASN A 72 -7.734 -8.750 -7.630 1.00 0.05 C ATOM 1136 O ASN A 72 -8.356 -9.377 -8.492 1.00 3.32 O ATOM 1137 CB ASN A 72 -7.201 -6.286 -7.714 1.00 42.41 C ATOM 1138 CG ASN A 72 -7.206 -6.169 -9.225 1.00 35.41 C ATOM 1139 OD1 ASN A 72 -8.229 -6.368 -9.874 1.00 10.20 O ATOM 1140 ND2 ASN A 72 -6.068 -5.846 -9.799 1.00 31.21 N ATOM 0 H ASN A 72 -7.547 -6.713 -5.299 1.00 52.42 H new ATOM 0 HA ASN A 72 -9.168 -7.158 -7.635 1.00 23.52 H new ATOM 0 HB2 ASN A 72 -7.451 -5.319 -7.278 1.00 42.41 H new ATOM 0 HB3 ASN A 72 -6.196 -6.538 -7.376 1.00 42.41 H new ATOM 0 HD21 ASN A 72 -6.017 -5.754 -10.814 1.00 31.21 H new ATOM 0 HD22 ASN A 72 -5.237 -5.688 -9.230 1.00 31.21 H new ATOM 1147 N LEU A 73 -6.656 -9.243 -7.011 1.00 62.14 N ATOM 1148 CA LEU A 73 -6.132 -10.589 -7.301 1.00 13.33 C ATOM 1149 C LEU A 73 -7.233 -11.642 -7.105 1.00 11.32 C ATOM 1150 O LEU A 73 -7.497 -12.458 -7.993 1.00 11.30 O ATOM 1151 CB LEU A 73 -4.919 -10.887 -6.387 1.00 34.45 C ATOM 1152 CG LEU A 73 -4.040 -12.106 -6.760 1.00 41.13 C ATOM 1153 CD1 LEU A 73 -4.753 -13.432 -6.490 1.00 14.45 C ATOM 1154 CD2 LEU A 73 -3.587 -12.020 -8.216 1.00 3.41 C ATOM 0 H LEU A 73 -6.126 -8.732 -6.305 1.00 62.14 H new ATOM 0 HA LEU A 73 -5.804 -10.629 -8.340 1.00 13.33 H new ATOM 0 HB2 LEU A 73 -4.282 -10.003 -6.370 1.00 34.45 H new ATOM 0 HB3 LEU A 73 -5.288 -11.033 -5.372 1.00 34.45 H new ATOM 0 HG LEU A 73 -3.159 -12.078 -6.119 1.00 41.13 H new ATOM 0 HD11 LEU A 73 -4.099 -14.259 -6.766 1.00 14.45 H new ATOM 0 HD12 LEU A 73 -5.000 -13.503 -5.431 1.00 14.45 H new ATOM 0 HD13 LEU A 73 -5.668 -13.480 -7.080 1.00 14.45 H new ATOM 0 HD21 LEU A 73 -2.971 -12.886 -8.457 1.00 3.41 H new ATOM 0 HD22 LEU A 73 -4.460 -12.003 -8.868 1.00 3.41 H new ATOM 0 HD23 LEU A 73 -3.006 -11.109 -8.363 1.00 3.41 H new ATOM 1166 N GLU A 74 -7.881 -11.602 -5.943 1.00 51.04 N ATOM 1167 CA GLU A 74 -8.968 -12.533 -5.619 1.00 14.44 C ATOM 1168 C GLU A 74 -10.069 -12.519 -6.690 1.00 70.35 C ATOM 1169 O GLU A 74 -10.568 -13.569 -7.092 1.00 1.41 O ATOM 1170 CB GLU A 74 -9.571 -12.186 -4.248 1.00 22.53 C ATOM 1171 CG GLU A 74 -8.594 -12.327 -3.083 1.00 43.30 C ATOM 1172 CD GLU A 74 -8.047 -13.739 -2.948 1.00 40.01 C ATOM 1173 OE1 GLU A 74 -8.794 -14.628 -2.483 1.00 64.24 O ATOM 1174 OE2 GLU A 74 -6.874 -13.970 -3.304 1.00 72.05 O ATOM 0 H GLU A 74 -7.673 -10.931 -5.203 1.00 51.04 H new ATOM 0 HA GLU A 74 -8.543 -13.536 -5.589 1.00 14.44 H new ATOM 0 HB2 GLU A 74 -9.942 -11.161 -4.275 1.00 22.53 H new ATOM 0 HB3 GLU A 74 -10.431 -12.831 -4.067 1.00 22.53 H new ATOM 0 HG2 GLU A 74 -7.766 -11.632 -3.222 1.00 43.30 H new ATOM 0 HG3 GLU A 74 -9.095 -12.045 -2.157 1.00 43.30 H new ATOM 1181 N HIS A 75 -10.429 -11.324 -7.156 1.00 1.55 N ATOM 1182 CA HIS A 75 -11.500 -11.161 -8.146 1.00 2.42 C ATOM 1183 C HIS A 75 -11.109 -11.727 -9.525 1.00 3.40 C ATOM 1184 O HIS A 75 -11.974 -12.136 -10.298 1.00 53.22 O ATOM 1185 CB HIS A 75 -11.879 -9.679 -8.267 1.00 75.42 C ATOM 1186 CG HIS A 75 -12.978 -9.408 -9.255 1.00 1.40 C ATOM 1187 ND1 HIS A 75 -12.768 -8.769 -10.458 1.00 3.52 N ATOM 1188 CD2 HIS A 75 -14.303 -9.683 -9.211 1.00 71.53 C ATOM 1189 CE1 HIS A 75 -13.910 -8.665 -11.106 1.00 63.11 C ATOM 1190 NE2 HIS A 75 -14.860 -9.210 -10.374 1.00 21.45 N ATOM 0 H HIS A 75 -9.994 -10.449 -6.864 1.00 1.55 H new ATOM 0 HA HIS A 75 -12.361 -11.731 -7.796 1.00 2.42 H new ATOM 0 HB2 HIS A 75 -12.186 -9.312 -7.288 1.00 75.42 H new ATOM 0 HB3 HIS A 75 -10.995 -9.111 -8.557 1.00 75.42 H new ATOM 0 HD2 HIS A 75 -14.826 -10.183 -8.409 1.00 71.53 H new ATOM 0 HE1 HIS A 75 -14.045 -8.209 -12.076 1.00 63.11 H new ATOM 0 HE2 HIS A 75 -15.846 -9.271 -10.629 1.00 21.45 H new ATOM 1199 N HIS A 76 -9.811 -11.737 -9.835 1.00 45.01 N ATOM 1200 CA HIS A 76 -9.332 -12.276 -11.118 1.00 43.11 C ATOM 1201 C HIS A 76 -9.115 -13.796 -11.053 1.00 12.22 C ATOM 1202 O HIS A 76 -9.464 -14.525 -11.985 1.00 60.21 O ATOM 1203 CB HIS A 76 -8.033 -11.583 -11.556 1.00 12.20 C ATOM 1204 CG HIS A 76 -8.214 -10.140 -11.904 1.00 4.44 C ATOM 1205 ND1 HIS A 76 -8.989 -9.713 -12.961 1.00 63.13 N ATOM 1206 CD2 HIS A 76 -7.724 -9.021 -11.328 1.00 33.24 C ATOM 1207 CE1 HIS A 76 -8.969 -8.397 -13.016 1.00 3.23 C ATOM 1208 NE2 HIS A 76 -8.211 -7.953 -12.038 1.00 61.12 N ATOM 0 H HIS A 76 -9.075 -11.382 -9.224 1.00 45.01 H new ATOM 0 HA HIS A 76 -10.108 -12.074 -11.856 1.00 43.11 H new ATOM 0 HB2 HIS A 76 -7.299 -11.666 -10.755 1.00 12.20 H new ATOM 0 HB3 HIS A 76 -7.624 -12.108 -12.419 1.00 12.20 H new ATOM 0 HD2 HIS A 76 -7.071 -8.975 -10.469 1.00 33.24 H new ATOM 0 HE1 HIS A 76 -9.487 -7.787 -13.741 1.00 3.23 H new ATOM 0 HE2 HIS A 76 -8.016 -6.972 -11.839 1.00 61.12 H new ATOM 1217 N HIS A 77 -8.535 -14.275 -9.952 1.00 12.33 N ATOM 1218 CA HIS A 77 -8.268 -15.709 -9.800 1.00 65.43 C ATOM 1219 C HIS A 77 -9.563 -16.493 -9.531 1.00 42.42 C ATOM 1220 O HIS A 77 -9.730 -17.610 -10.019 1.00 10.11 O ATOM 1221 CB HIS A 77 -7.253 -15.968 -8.682 1.00 1.45 C ATOM 1222 CG HIS A 77 -6.767 -17.385 -8.663 1.00 72.44 C ATOM 1223 ND1 HIS A 77 -5.767 -17.841 -9.493 1.00 30.15 N ATOM 1224 CD2 HIS A 77 -7.168 -18.459 -7.943 1.00 43.42 C ATOM 1225 CE1 HIS A 77 -5.574 -19.124 -9.288 1.00 62.20 C ATOM 1226 NE2 HIS A 77 -6.409 -19.526 -8.353 1.00 12.54 N ATOM 0 H HIS A 77 -8.244 -13.701 -9.161 1.00 12.33 H new ATOM 0 HA HIS A 77 -7.843 -16.060 -10.740 1.00 65.43 H new ATOM 0 HB2 HIS A 77 -6.403 -15.298 -8.806 1.00 1.45 H new ATOM 0 HB3 HIS A 77 -7.708 -15.731 -7.721 1.00 1.45 H new ATOM 0 HD2 HIS A 77 -7.940 -18.473 -7.188 1.00 43.42 H new ATOM 0 HE1 HIS A 77 -4.853 -19.744 -9.800 1.00 62.20 H new ATOM 0 HE2 HIS A 77 -6.480 -20.477 -7.992 1.00 12.54 H new ATOM 1235 N HIS A 78 -10.468 -15.913 -8.745 1.00 55.30 N ATOM 1236 CA HIS A 78 -11.781 -16.520 -8.514 1.00 3.35 C ATOM 1237 C HIS A 78 -12.662 -16.352 -9.760 1.00 40.13 C ATOM 1238 O HIS A 78 -13.284 -15.309 -9.962 1.00 44.20 O ATOM 1239 CB HIS A 78 -12.453 -15.896 -7.281 1.00 50.21 C ATOM 1240 CG HIS A 78 -13.806 -16.461 -6.968 1.00 34.51 C ATOM 1241 ND1 HIS A 78 -14.960 -15.712 -7.009 1.00 50.43 N ATOM 1242 CD2 HIS A 78 -14.187 -17.709 -6.602 1.00 12.12 C ATOM 1243 CE1 HIS A 78 -15.987 -16.467 -6.683 1.00 51.21 C ATOM 1244 NE2 HIS A 78 -15.550 -17.684 -6.433 1.00 73.43 N ATOM 0 H HIS A 78 -10.319 -15.029 -8.259 1.00 55.30 H new ATOM 0 HA HIS A 78 -11.649 -17.585 -8.323 1.00 3.35 H new ATOM 0 HB2 HIS A 78 -11.804 -16.037 -6.417 1.00 50.21 H new ATOM 0 HB3 HIS A 78 -12.547 -14.821 -7.437 1.00 50.21 H new ATOM 0 HD2 HIS A 78 -13.540 -18.563 -6.468 1.00 12.12 H new ATOM 0 HE1 HIS A 78 -17.016 -16.143 -6.629 1.00 51.21 H new ATOM 0 HE2 HIS A 78 -16.129 -18.478 -6.159 1.00 73.43 H new ATOM 1253 N HIS A 79 -12.699 -17.394 -10.591 1.00 44.01 N ATOM 1254 CA HIS A 79 -13.381 -17.353 -11.895 1.00 61.25 C ATOM 1255 C HIS A 79 -14.861 -16.958 -11.777 1.00 11.22 C ATOM 1256 O HIS A 79 -15.452 -16.476 -12.745 1.00 45.33 O ATOM 1257 CB HIS A 79 -13.261 -18.723 -12.584 1.00 23.23 C ATOM 1258 CG HIS A 79 -13.863 -18.775 -13.960 1.00 72.15 C ATOM 1259 ND1 HIS A 79 -13.175 -18.417 -15.100 1.00 14.13 N ATOM 1260 CD2 HIS A 79 -15.099 -19.152 -14.378 1.00 72.43 C ATOM 1261 CE1 HIS A 79 -13.956 -18.566 -16.152 1.00 13.42 C ATOM 1262 NE2 HIS A 79 -15.125 -19.011 -15.743 1.00 34.32 N ATOM 0 H HIS A 79 -12.259 -18.291 -10.384 1.00 44.01 H new ATOM 0 HA HIS A 79 -12.891 -16.585 -12.493 1.00 61.25 H new ATOM 0 HB2 HIS A 79 -12.207 -18.993 -12.650 1.00 23.23 H new ATOM 0 HB3 HIS A 79 -13.744 -19.475 -11.960 1.00 23.23 H new ATOM 0 HD2 HIS A 79 -15.909 -19.498 -13.753 1.00 72.43 H new ATOM 0 HE1 HIS A 79 -13.683 -18.358 -17.176 1.00 13.42 H new ATOM 0 HE2 HIS A 79 -15.923 -19.218 -16.344 1.00 34.32 H new ATOM 1271 N HIS A 80 -15.448 -17.169 -10.599 1.00 4.25 N ATOM 1272 CA HIS A 80 -16.876 -16.905 -10.362 1.00 45.41 C ATOM 1273 C HIS A 80 -17.758 -17.915 -11.125 1.00 13.40 C ATOM 1274 O HIS A 80 -18.127 -18.953 -10.531 1.00 37.20 O ATOM 1275 CB HIS A 80 -17.245 -15.458 -10.748 1.00 52.41 C ATOM 1276 CG HIS A 80 -18.691 -15.126 -10.525 1.00 21.13 C ATOM 1277 ND1 HIS A 80 -19.656 -15.284 -11.493 1.00 51.01 N ATOM 1278 CD2 HIS A 80 -19.336 -14.656 -9.433 1.00 22.32 C ATOM 1279 CE1 HIS A 80 -20.825 -14.927 -11.009 1.00 33.51 C ATOM 1280 NE2 HIS A 80 -20.663 -14.543 -9.760 1.00 54.33 N ATOM 1281 OXT HIS A 80 -18.067 -17.675 -12.315 1.00 37.20 O ATOM 0 H HIS A 80 -14.953 -17.526 -9.782 1.00 4.25 H new ATOM 0 HA HIS A 80 -17.064 -17.028 -9.295 1.00 45.41 H new ATOM 0 HB2 HIS A 80 -16.629 -14.769 -10.170 1.00 52.41 H new ATOM 0 HB3 HIS A 80 -17.002 -15.298 -11.799 1.00 52.41 H new ATOM 0 HD2 HIS A 80 -18.889 -14.414 -8.480 1.00 22.32 H new ATOM 0 HE1 HIS A 80 -21.762 -14.946 -11.546 1.00 33.51 H new ATOM 0 HE2 HIS A 80 -21.402 -14.216 -9.138 1.00 54.33 H new TER 1290 HIS A 80