USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 THR OG1 : rot 70:sc= -2.36 USER MOD Set 2.1: A 27 CYS SG : rot -87:sc= -0.147 USER MOD Set 2.2: A 66 CYS SG : rot 96:sc= 0.949 USER MOD Set 3.1: A 23 ASN : amide:sc= -1.9 K(o=-3.2,f=-6.4!) USER MOD Set 3.2: A 28 THR OG1 : rot 180:sc= -1.29 USER MOD Set 4.1: A 19 SER OG : rot 173:sc= -0.0854 USER MOD Set 4.2: A 103 GLN : amide:sc= -1.89 K(o=-2,f=-9.3!) USER MOD Set 5.1: A 5 ASN : amide:sc= -2.71 X(o=-2.7,f=-2.3!) USER MOD Set 5.2: A 78 SER OG : rot 180:sc=-0.00842 USER MOD Single : A 1 LEU N :NH3+ 156:sc= 0 (180deg=-0.0639) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -159:sc= -1.14 (180deg=-1.21) USER MOD Single : A 10 LYS NZ :NH3+ -145:sc= -2.38! (180deg=-6.05!) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 0.0226 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= -2.27! (180deg=-3.33!) USER MOD Single : A 21 SER OG : rot 180:sc= -1.14 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.00089) USER MOD Single : A 36 GLN : amide:sc= -0.938 X(o=-0.94,f=-0.49) USER MOD Single : A 37 TYR OH : rot -95:sc= 1.17 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= 1.09 (180deg=1.01) USER MOD Single : A 45 GLN : amide:sc= -0.0528 X(o=-0.053,f=-0.0062) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.869) USER MOD Single : A 54 ASN : amide:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.031) USER MOD Single : A 67 TYR OH : rot 95:sc= 0.63 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.128 K(o=0.13,f=-1.6) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -179:sc= -0.753 (180deg=-0.771) USER MOD Single : A 104 TYR OH : rot -120:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.507 -10.152 -13.865 1.00 0.00 N ATOM 2 CA LEU A 1 -1.133 -9.204 -12.783 1.00 0.00 C ATOM 3 C LEU A 1 -0.806 -7.824 -13.347 1.00 0.00 C ATOM 4 O LEU A 1 0.292 -7.596 -13.859 1.00 0.00 O ATOM 5 CB LEU A 1 0.079 -9.771 -12.037 1.00 0.00 C ATOM 6 CG LEU A 1 -0.240 -10.440 -10.699 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.686 -11.878 -10.915 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.970 -10.389 -9.778 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.330 -11.127 -13.549 1.00 0.00 H new ATOM 0 H2 LEU A 1 -2.516 -10.039 -14.092 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.937 -9.954 -14.712 1.00 0.00 H new ATOM 0 HA LEU A 1 -1.975 -9.088 -12.101 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.575 -10.498 -12.680 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.789 -8.963 -11.862 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.057 -9.895 -10.226 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.909 -12.338 -9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -1.579 -11.892 -11.539 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.110 -12.436 -11.408 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.726 -10.869 -8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.805 -10.911 -10.245 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.247 -9.350 -9.598 1.00 0.00 H new ATOM 22 N GLU A 2 -1.763 -6.909 -13.252 1.00 0.00 N ATOM 23 CA GLU A 2 -1.574 -5.552 -13.751 1.00 0.00 C ATOM 24 C GLU A 2 -0.711 -4.739 -12.797 1.00 0.00 C ATOM 25 O GLU A 2 -0.600 -5.065 -11.616 1.00 0.00 O ATOM 26 CB GLU A 2 -2.925 -4.857 -13.941 1.00 0.00 C ATOM 27 CG GLU A 2 -3.023 -4.062 -15.232 1.00 0.00 C ATOM 28 CD GLU A 2 -3.540 -4.893 -16.390 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.895 -5.909 -16.726 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.588 -4.526 -16.962 1.00 0.00 O ATOM 0 H GLU A 2 -2.677 -7.082 -12.834 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.067 -5.618 -14.714 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.716 -5.607 -13.925 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.102 -4.189 -13.098 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.683 -3.208 -15.079 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.040 -3.664 -15.485 1.00 0.00 H new ATOM 37 N LYS A 3 -0.116 -3.671 -13.312 1.00 0.00 N ATOM 38 CA LYS A 3 0.722 -2.801 -12.499 1.00 0.00 C ATOM 39 C LYS A 3 0.752 -1.390 -13.067 1.00 0.00 C ATOM 40 O LYS A 3 1.013 -1.191 -14.253 1.00 0.00 O ATOM 41 CB LYS A 3 2.150 -3.342 -12.404 1.00 0.00 C ATOM 42 CG LYS A 3 2.229 -4.837 -12.142 1.00 0.00 C ATOM 43 CD LYS A 3 3.675 -5.295 -12.012 1.00 0.00 C ATOM 44 CE LYS A 3 3.830 -6.355 -10.936 1.00 0.00 C ATOM 45 NZ LYS A 3 4.773 -7.431 -11.346 1.00 0.00 N ATOM 0 H LYS A 3 -0.198 -3.387 -14.288 1.00 0.00 H new ATOM 0 HA LYS A 3 0.288 -2.774 -11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.675 -3.118 -13.333 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.675 -2.816 -11.607 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.684 -5.079 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.745 -5.378 -12.955 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.019 -5.692 -12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.308 -4.440 -11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.188 -5.890 -10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.856 -6.791 -10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.850 -8.134 -10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.419 -7.893 -12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.709 -7.019 -11.533 1.00 0.00 H new ATOM 59 N PHE A 4 0.497 -0.414 -12.209 1.00 0.00 N ATOM 60 CA PHE A 4 0.508 0.983 -12.612 1.00 0.00 C ATOM 61 C PHE A 4 1.195 1.822 -11.542 1.00 0.00 C ATOM 62 O PHE A 4 1.495 1.324 -10.458 1.00 0.00 O ATOM 63 CB PHE A 4 -0.916 1.484 -12.871 1.00 0.00 C ATOM 64 CG PHE A 4 -1.738 1.683 -11.628 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.356 0.610 -11.005 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.897 2.946 -11.086 1.00 0.00 C ATOM 67 CE1 PHE A 4 -3.114 0.795 -9.866 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.654 3.136 -9.951 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.264 2.060 -9.338 1.00 0.00 C ATOM 0 H PHE A 4 0.279 -0.566 -11.224 1.00 0.00 H new ATOM 0 HA PHE A 4 1.067 1.078 -13.543 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.863 2.428 -13.413 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.426 0.772 -13.520 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.243 -0.383 -11.415 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.422 3.793 -11.558 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.589 -0.050 -9.389 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.770 4.128 -9.540 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.857 2.208 -8.448 1.00 0.00 H new ATOM 79 N ASN A 5 1.454 3.087 -11.846 1.00 0.00 N ATOM 80 CA ASN A 5 2.123 3.966 -10.896 1.00 0.00 C ATOM 81 C ASN A 5 1.163 5.005 -10.330 1.00 0.00 C ATOM 82 O ASN A 5 0.387 5.617 -11.064 1.00 0.00 O ATOM 83 CB ASN A 5 3.309 4.662 -11.567 1.00 0.00 C ATOM 84 CG ASN A 5 4.627 4.360 -10.878 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.646 4.139 -11.531 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.612 4.349 -9.549 1.00 0.00 N ATOM 0 H ASN A 5 1.213 3.525 -12.735 1.00 0.00 H new ATOM 0 HA ASN A 5 2.484 3.353 -10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.368 4.349 -12.609 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.141 5.739 -11.567 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.468 4.152 -9.031 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.744 4.538 -9.047 1.00 0.00 H new ATOM 93 N VAL A 6 1.234 5.206 -9.019 1.00 0.00 N ATOM 94 CA VAL A 6 0.384 6.178 -8.347 1.00 0.00 C ATOM 95 C VAL A 6 1.232 7.281 -7.731 1.00 0.00 C ATOM 96 O VAL A 6 1.903 7.067 -6.725 1.00 0.00 O ATOM 97 CB VAL A 6 -0.451 5.522 -7.232 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.516 6.479 -6.721 1.00 0.00 C ATOM 99 CG2 VAL A 6 -1.069 4.223 -7.715 1.00 0.00 C ATOM 0 H VAL A 6 1.873 4.707 -8.400 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.289 6.593 -9.097 1.00 0.00 H new ATOM 0 HB VAL A 6 0.214 5.287 -6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.094 5.994 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.039 7.374 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.180 6.756 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.654 3.777 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.718 4.424 -8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.279 3.534 -8.014 1.00 0.00 H new ATOM 109 N ASP A 7 1.200 8.460 -8.331 1.00 0.00 N ATOM 110 CA ASP A 7 1.977 9.579 -7.823 1.00 0.00 C ATOM 111 C ASP A 7 1.070 10.685 -7.306 1.00 0.00 C ATOM 112 O ASP A 7 0.189 11.162 -8.022 1.00 0.00 O ATOM 113 CB ASP A 7 2.887 10.129 -8.922 1.00 0.00 C ATOM 114 CG ASP A 7 2.107 10.635 -10.119 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.561 9.799 -10.869 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.039 11.869 -10.305 1.00 0.00 O ATOM 0 H ASP A 7 0.649 8.666 -9.164 1.00 0.00 H new ATOM 0 HA ASP A 7 2.586 9.218 -6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.492 10.940 -8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.576 9.348 -9.244 1.00 0.00 H new ATOM 121 N LEU A 8 1.300 11.110 -6.067 1.00 0.00 N ATOM 122 CA LEU A 8 0.506 12.184 -5.483 1.00 0.00 C ATOM 123 C LEU A 8 1.293 12.910 -4.405 1.00 0.00 C ATOM 124 O LEU A 8 2.228 12.364 -3.831 1.00 0.00 O ATOM 125 CB LEU A 8 -0.839 11.675 -4.931 1.00 0.00 C ATOM 126 CG LEU A 8 -0.793 10.502 -3.936 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.069 9.363 -4.456 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.314 10.967 -2.566 1.00 0.00 C ATOM 0 H LEU A 8 2.022 10.731 -5.454 1.00 0.00 H new ATOM 0 HA LEU A 8 0.279 12.890 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.342 12.511 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.460 11.377 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.809 10.122 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.079 8.552 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.339 8.999 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.087 9.720 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.291 10.119 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.687 11.390 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.995 11.726 -2.181 1.00 0.00 H new ATOM 140 N MET A 9 0.920 14.152 -4.144 1.00 0.00 N ATOM 141 CA MET A 9 1.611 14.949 -3.142 1.00 0.00 C ATOM 142 C MET A 9 1.408 14.374 -1.747 1.00 0.00 C ATOM 143 O MET A 9 0.286 14.308 -1.244 1.00 0.00 O ATOM 144 CB MET A 9 1.125 16.396 -3.193 1.00 0.00 C ATOM 145 CG MET A 9 1.921 17.263 -4.157 1.00 0.00 C ATOM 146 SD MET A 9 2.876 18.544 -3.321 1.00 0.00 S ATOM 147 CE MET A 9 4.501 17.792 -3.302 1.00 0.00 C ATOM 0 H MET A 9 0.147 14.629 -4.609 1.00 0.00 H new ATOM 0 HA MET A 9 2.678 14.924 -3.366 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.075 16.410 -3.485 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.184 16.827 -2.194 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.596 16.631 -4.734 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.238 17.730 -4.867 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.107 18.254 -2.522 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.406 16.725 -3.103 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.981 17.939 -4.269 1.00 0.00 H new ATOM 157 N LYS A 10 2.506 13.958 -1.128 1.00 0.00 N ATOM 158 CA LYS A 10 2.459 13.386 0.209 1.00 0.00 C ATOM 159 C LYS A 10 2.892 14.401 1.255 1.00 0.00 C ATOM 160 O LYS A 10 3.816 15.185 1.034 1.00 0.00 O ATOM 161 CB LYS A 10 3.353 12.148 0.294 1.00 0.00 C ATOM 162 CG LYS A 10 2.601 10.888 0.689 1.00 0.00 C ATOM 163 CD LYS A 10 2.374 10.836 2.193 1.00 0.00 C ATOM 164 CE LYS A 10 2.695 9.467 2.776 1.00 0.00 C ATOM 165 NZ LYS A 10 3.609 9.562 3.949 1.00 0.00 N ATOM 0 H LYS A 10 3.441 14.007 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 10 1.427 13.098 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.833 11.988 -0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.147 12.331 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.642 10.856 0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.164 10.010 0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.993 11.590 2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.336 11.088 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.770 8.974 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.154 8.844 2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.250 8.743 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.166 10.438 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.049 9.572 4.825 1.00 0.00 H new ATOM 179 N LYS A 11 2.225 14.371 2.398 1.00 0.00 N ATOM 180 CA LYS A 11 2.546 15.279 3.492 1.00 0.00 C ATOM 181 C LYS A 11 2.783 14.501 4.780 1.00 0.00 C ATOM 182 O LYS A 11 1.986 14.565 5.717 1.00 0.00 O ATOM 183 CB LYS A 11 1.422 16.297 3.690 1.00 0.00 C ATOM 184 CG LYS A 11 0.939 16.931 2.396 1.00 0.00 C ATOM 185 CD LYS A 11 2.027 17.773 1.749 1.00 0.00 C ATOM 186 CE LYS A 11 1.847 17.850 0.241 1.00 0.00 C ATOM 187 NZ LYS A 11 1.187 19.117 -0.176 1.00 0.00 N ATOM 0 H LYS A 11 1.458 13.728 2.594 1.00 0.00 H new ATOM 0 HA LYS A 11 3.460 15.814 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.581 15.806 4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.769 17.082 4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.621 16.151 1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.067 17.553 2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.010 18.778 2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.004 17.347 1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.819 17.770 -0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.251 17.002 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.366 19.285 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.162 19.045 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.571 19.908 0.380 1.00 0.00 H new ATOM 201 N ALA A 12 3.888 13.763 4.816 1.00 0.00 N ATOM 202 CA ALA A 12 4.242 12.963 5.982 1.00 0.00 C ATOM 203 C ALA A 12 3.129 11.979 6.340 1.00 0.00 C ATOM 204 O ALA A 12 3.048 11.507 7.475 1.00 0.00 O ATOM 205 CB ALA A 12 4.551 13.866 7.167 1.00 0.00 C ATOM 0 H ALA A 12 4.556 13.703 4.047 1.00 0.00 H new ATOM 0 HA ALA A 12 5.133 12.385 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.814 13.255 8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.386 14.521 6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.675 14.470 7.403 1.00 0.00 H new ATOM 211 N GLY A 13 2.274 11.672 5.368 1.00 0.00 N ATOM 212 CA GLY A 13 1.182 10.745 5.606 1.00 0.00 C ATOM 213 C GLY A 13 -0.079 11.435 6.091 1.00 0.00 C ATOM 214 O GLY A 13 -0.114 11.972 7.200 1.00 0.00 O ATOM 0 H GLY A 13 2.318 12.048 4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.964 10.204 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.493 10.006 6.344 1.00 0.00 H new ATOM 218 N LYS A 14 -1.120 11.417 5.263 1.00 0.00 N ATOM 219 CA LYS A 14 -2.390 12.041 5.615 1.00 0.00 C ATOM 220 C LYS A 14 -3.517 11.534 4.712 1.00 0.00 C ATOM 221 O LYS A 14 -4.131 10.503 4.986 1.00 0.00 O ATOM 222 CB LYS A 14 -2.284 13.567 5.519 1.00 0.00 C ATOM 223 CG LYS A 14 -1.373 14.054 4.404 1.00 0.00 C ATOM 224 CD LYS A 14 -1.840 15.392 3.846 1.00 0.00 C ATOM 225 CE LYS A 14 -2.074 16.419 4.948 1.00 0.00 C ATOM 226 NZ LYS A 14 -0.857 16.641 5.777 1.00 0.00 N ATOM 0 H LYS A 14 -1.108 10.976 4.343 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.625 11.769 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.281 13.981 5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.918 13.956 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.355 14.151 4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.348 13.314 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.095 15.773 3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.762 15.248 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.385 17.364 4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.891 16.084 5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.136 16.983 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.335 15.747 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.249 17.349 5.318 1.00 0.00 H new ATOM 240 N GLU A 15 -3.773 12.266 3.631 1.00 0.00 N ATOM 241 CA GLU A 15 -4.807 11.915 2.673 1.00 0.00 C ATOM 242 C GLU A 15 -4.439 10.662 1.879 1.00 0.00 C ATOM 243 O GLU A 15 -5.237 10.178 1.076 1.00 0.00 O ATOM 244 CB GLU A 15 -5.073 13.089 1.732 1.00 0.00 C ATOM 245 CG GLU A 15 -6.057 14.102 2.294 1.00 0.00 C ATOM 246 CD GLU A 15 -5.936 15.462 1.636 1.00 0.00 C ATOM 247 OE1 GLU A 15 -5.573 15.514 0.443 1.00 0.00 O ATOM 248 OE2 GLU A 15 -6.203 16.476 2.316 1.00 0.00 O ATOM 0 H GLU A 15 -3.266 13.120 3.398 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.717 11.693 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.130 13.591 1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.457 12.707 0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.072 13.728 2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.893 14.206 3.367 1.00 0.00 H new ATOM 255 N LEU A 16 -3.224 10.140 2.086 1.00 0.00 N ATOM 256 CA LEU A 16 -2.773 8.951 1.361 1.00 0.00 C ATOM 257 C LEU A 16 -3.879 7.900 1.346 1.00 0.00 C ATOM 258 O LEU A 16 -4.026 7.145 0.385 1.00 0.00 O ATOM 259 CB LEU A 16 -1.519 8.365 2.033 1.00 0.00 C ATOM 260 CG LEU A 16 -0.186 8.547 1.287 1.00 0.00 C ATOM 261 CD1 LEU A 16 0.749 7.389 1.601 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.391 8.661 -0.217 1.00 0.00 C ATOM 0 H LEU A 16 -2.543 10.519 2.744 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.531 9.237 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.420 8.815 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.681 7.298 2.184 1.00 0.00 H new ATOM 0 HG LEU A 16 0.262 9.479 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.690 7.526 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.940 7.356 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.287 6.453 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.574 8.788 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.870 7.755 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.024 9.521 -0.434 1.00 0.00 H new ATOM 274 N GLY A 17 -4.675 7.891 2.411 1.00 0.00 N ATOM 275 CA GLY A 17 -5.794 6.972 2.528 1.00 0.00 C ATOM 276 C GLY A 17 -5.617 5.663 1.783 1.00 0.00 C ATOM 277 O GLY A 17 -6.396 5.345 0.885 1.00 0.00 O ATOM 0 H GLY A 17 -4.561 8.516 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.960 6.755 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.693 7.466 2.159 1.00 0.00 H new ATOM 281 N LEU A 18 -4.607 4.897 2.166 1.00 0.00 N ATOM 282 CA LEU A 18 -4.356 3.610 1.536 1.00 0.00 C ATOM 283 C LEU A 18 -3.889 2.599 2.571 1.00 0.00 C ATOM 284 O LEU A 18 -2.696 2.491 2.856 1.00 0.00 O ATOM 285 CB LEU A 18 -3.324 3.741 0.413 1.00 0.00 C ATOM 286 CG LEU A 18 -2.032 4.472 0.794 1.00 0.00 C ATOM 287 CD1 LEU A 18 -0.850 3.515 0.776 1.00 0.00 C ATOM 288 CD2 LEU A 18 -1.780 5.644 -0.143 1.00 0.00 C ATOM 0 H LEU A 18 -3.950 5.143 2.907 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.289 3.258 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.067 2.742 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.786 4.266 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.147 4.860 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.058 4.053 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.023 2.709 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.736 3.096 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.858 6.149 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.689 5.279 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.612 6.345 -0.081 1.00 0.00 H new ATOM 300 N SER A 19 -4.837 1.864 3.139 1.00 0.00 N ATOM 301 CA SER A 19 -4.521 0.864 4.149 1.00 0.00 C ATOM 302 C SER A 19 -3.745 -0.291 3.529 1.00 0.00 C ATOM 303 O SER A 19 -4.294 -1.075 2.754 1.00 0.00 O ATOM 304 CB SER A 19 -5.804 0.355 4.811 1.00 0.00 C ATOM 305 OG SER A 19 -5.705 -1.020 5.146 1.00 0.00 O ATOM 0 H SER A 19 -5.830 1.942 2.917 1.00 0.00 H new ATOM 0 HA SER A 19 -3.897 1.326 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.006 0.936 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.647 0.507 4.137 1.00 0.00 H new ATOM 0 HG SER A 19 -6.491 -1.287 5.666 1.00 0.00 H new ATOM 311 N LEU A 20 -2.462 -0.379 3.868 1.00 0.00 N ATOM 312 CA LEU A 20 -1.598 -1.429 3.338 1.00 0.00 C ATOM 313 C LEU A 20 -1.711 -2.715 4.146 1.00 0.00 C ATOM 314 O LEU A 20 -2.193 -2.715 5.280 1.00 0.00 O ATOM 315 CB LEU A 20 -0.138 -0.961 3.330 1.00 0.00 C ATOM 316 CG LEU A 20 0.184 0.225 2.410 1.00 0.00 C ATOM 317 CD1 LEU A 20 -0.875 0.393 1.328 1.00 0.00 C ATOM 318 CD2 LEU A 20 0.326 1.500 3.226 1.00 0.00 C ATOM 0 H LEU A 20 -1.997 0.265 4.508 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.926 -1.636 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.142 -0.692 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.491 -1.802 3.039 1.00 0.00 H new ATOM 0 HG LEU A 20 1.132 0.019 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.616 1.241 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.922 -0.512 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.845 0.570 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.554 2.334 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.607 1.701 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.133 1.381 3.949 1.00 0.00 H new ATOM 330 N SER A 21 -1.245 -3.810 3.552 1.00 0.00 N ATOM 331 CA SER A 21 -1.270 -5.114 4.203 1.00 0.00 C ATOM 332 C SER A 21 0.056 -5.839 3.974 1.00 0.00 C ATOM 333 O SER A 21 0.802 -5.502 3.055 1.00 0.00 O ATOM 334 CB SER A 21 -2.436 -5.951 3.674 1.00 0.00 C ATOM 335 OG SER A 21 -3.206 -6.485 4.738 1.00 0.00 O ATOM 0 H SER A 21 -0.843 -3.818 2.615 1.00 0.00 H new ATOM 0 HA SER A 21 -1.409 -4.970 5.274 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.070 -5.335 3.036 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.054 -6.763 3.055 1.00 0.00 H new ATOM 0 HG SER A 21 -3.946 -7.014 4.373 1.00 0.00 H new ATOM 341 N PRO A 22 0.377 -6.840 4.810 1.00 0.00 N ATOM 342 CA PRO A 22 1.628 -7.596 4.691 1.00 0.00 C ATOM 343 C PRO A 22 1.646 -8.521 3.476 1.00 0.00 C ATOM 344 O PRO A 22 0.803 -9.410 3.349 1.00 0.00 O ATOM 345 CB PRO A 22 1.675 -8.411 5.984 1.00 0.00 C ATOM 346 CG PRO A 22 0.250 -8.560 6.392 1.00 0.00 C ATOM 347 CD PRO A 22 -0.447 -7.306 5.942 1.00 0.00 C ATOM 0 HA PRO A 22 2.485 -6.937 4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.144 -9.382 5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.255 -7.900 6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.197 -9.441 5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.165 -8.687 7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.474 -7.506 5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.491 -6.563 6.739 1.00 0.00 H new ATOM 355 N ASN A 23 2.615 -8.309 2.588 1.00 0.00 N ATOM 356 CA ASN A 23 2.747 -9.125 1.388 1.00 0.00 C ATOM 357 C ASN A 23 4.206 -9.481 1.121 1.00 0.00 C ATOM 358 O ASN A 23 5.121 -8.857 1.662 1.00 0.00 O ATOM 359 CB ASN A 23 2.156 -8.399 0.179 1.00 0.00 C ATOM 360 CG ASN A 23 1.113 -9.236 -0.529 1.00 0.00 C ATOM 361 OD1 ASN A 23 1.141 -9.387 -1.750 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.186 -9.790 0.241 1.00 0.00 N ATOM 0 H ASN A 23 3.320 -7.578 2.679 1.00 0.00 H new ATOM 0 HA ASN A 23 2.194 -10.050 1.552 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.708 -7.460 0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.954 -8.148 -0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.543 -10.369 -0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.202 -9.637 1.249 1.00 0.00 H new ATOM 369 N GLU A 24 4.413 -10.493 0.285 1.00 0.00 N ATOM 370 CA GLU A 24 5.756 -10.947 -0.060 1.00 0.00 C ATOM 371 C GLU A 24 6.391 -10.048 -1.118 1.00 0.00 C ATOM 372 O GLU A 24 7.586 -9.758 -1.066 1.00 0.00 O ATOM 373 CB GLU A 24 5.705 -12.385 -0.576 1.00 0.00 C ATOM 374 CG GLU A 24 4.942 -12.534 -1.885 1.00 0.00 C ATOM 375 CD GLU A 24 4.713 -13.984 -2.265 1.00 0.00 C ATOM 376 OE1 GLU A 24 5.695 -14.754 -2.285 1.00 0.00 O ATOM 377 OE2 GLU A 24 3.550 -14.348 -2.541 1.00 0.00 O ATOM 0 H GLU A 24 3.664 -11.017 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 24 6.367 -10.901 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.723 -12.749 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.240 -13.018 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.980 -12.028 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.495 -12.036 -2.682 1.00 0.00 H new ATOM 384 N ILE A 25 5.585 -9.624 -2.083 1.00 0.00 N ATOM 385 CA ILE A 25 6.066 -8.769 -3.165 1.00 0.00 C ATOM 386 C ILE A 25 5.933 -7.288 -2.821 1.00 0.00 C ATOM 387 O ILE A 25 6.496 -6.431 -3.503 1.00 0.00 O ATOM 388 CB ILE A 25 5.313 -9.054 -4.478 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.812 -8.786 -4.303 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.568 -10.488 -4.922 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.934 -9.503 -5.306 1.00 0.00 C ATOM 0 H ILE A 25 4.594 -9.858 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 25 7.122 -9.002 -3.298 1.00 0.00 H new ATOM 0 HB ILE A 25 5.683 -8.384 -5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.515 -9.085 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.634 -7.714 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.032 -10.682 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.636 -10.635 -5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.218 -11.175 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.889 -9.261 -5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.200 -9.186 -6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.080 -10.579 -5.213 1.00 0.00 H new ATOM 403 N GLY A 26 5.185 -6.989 -1.765 1.00 0.00 N ATOM 404 CA GLY A 26 4.998 -5.611 -1.358 1.00 0.00 C ATOM 405 C GLY A 26 3.982 -5.475 -0.245 1.00 0.00 C ATOM 406 O GLY A 26 4.106 -6.114 0.800 1.00 0.00 O ATOM 0 H GLY A 26 4.705 -7.677 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.952 -5.199 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.675 -5.021 -2.216 1.00 0.00 H new ATOM 410 N CYS A 27 2.973 -4.644 -0.470 1.00 0.00 N ATOM 411 CA CYS A 27 1.930 -4.431 0.524 1.00 0.00 C ATOM 412 C CYS A 27 0.563 -4.324 -0.139 1.00 0.00 C ATOM 413 O CYS A 27 0.240 -3.313 -0.763 1.00 0.00 O ATOM 414 CB CYS A 27 2.210 -3.168 1.351 1.00 0.00 C ATOM 415 SG CYS A 27 3.373 -2.005 0.595 1.00 0.00 S ATOM 0 H CYS A 27 2.855 -4.108 -1.330 1.00 0.00 H new ATOM 0 HA CYS A 27 1.929 -5.292 1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.267 -2.652 1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.599 -3.467 2.324 1.00 0.00 H new ATOM 0 HG CYS A 27 4.588 -2.335 0.918 1.00 0.00 H new ATOM 421 N THR A 28 -0.239 -5.374 0.002 1.00 0.00 N ATOM 422 CA THR A 28 -1.573 -5.397 -0.582 1.00 0.00 C ATOM 423 C THR A 28 -2.453 -4.318 0.038 1.00 0.00 C ATOM 424 O THR A 28 -2.480 -4.154 1.258 1.00 0.00 O ATOM 425 CB THR A 28 -2.222 -6.770 -0.385 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.453 -7.788 -1.002 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.627 -6.855 -0.944 1.00 0.00 C ATOM 0 H THR A 28 0.012 -6.219 0.515 1.00 0.00 H new ATOM 0 HA THR A 28 -1.476 -5.200 -1.650 1.00 0.00 H new ATOM 0 HB THR A 28 -2.267 -6.911 0.695 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.886 -8.656 -0.861 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.028 -7.854 -0.771 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.261 -6.119 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.605 -6.653 -2.015 1.00 0.00 H new ATOM 435 N ILE A 29 -3.180 -3.591 -0.803 1.00 0.00 N ATOM 436 CA ILE A 29 -4.063 -2.542 -0.321 1.00 0.00 C ATOM 437 C ILE A 29 -5.303 -3.152 0.314 1.00 0.00 C ATOM 438 O ILE A 29 -6.198 -3.633 -0.381 1.00 0.00 O ATOM 439 CB ILE A 29 -4.494 -1.599 -1.459 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.273 -1.133 -2.256 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.254 -0.406 -0.900 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.626 -0.303 -3.469 1.00 0.00 C ATOM 0 H ILE A 29 -3.174 -3.710 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.510 -1.964 0.419 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.156 -2.145 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.624 -0.550 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.703 -2.005 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.552 0.251 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.142 -0.755 -0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.614 0.142 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.713 -0.007 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.250 -0.890 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.170 0.588 -3.155 1.00 0.00 H new ATOM 454 N ALA A 30 -5.350 -3.133 1.640 1.00 0.00 N ATOM 455 CA ALA A 30 -6.481 -3.688 2.366 1.00 0.00 C ATOM 456 C ALA A 30 -7.682 -2.759 2.282 1.00 0.00 C ATOM 457 O ALA A 30 -8.826 -3.209 2.243 1.00 0.00 O ATOM 458 CB ALA A 30 -6.105 -3.946 3.817 1.00 0.00 C ATOM 0 H ALA A 30 -4.619 -2.740 2.232 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.752 -4.638 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.962 -4.361 4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.276 -4.653 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.807 -3.009 4.288 1.00 0.00 H new ATOM 464 N ASP A 31 -7.414 -1.457 2.250 1.00 0.00 N ATOM 465 CA ASP A 31 -8.481 -0.466 2.169 1.00 0.00 C ATOM 466 C ASP A 31 -7.953 0.885 1.715 1.00 0.00 C ATOM 467 O ASP A 31 -6.747 1.093 1.600 1.00 0.00 O ATOM 468 CB ASP A 31 -9.154 -0.292 3.530 1.00 0.00 C ATOM 469 CG ASP A 31 -10.110 -1.419 3.856 1.00 0.00 C ATOM 470 OD1 ASP A 31 -9.660 -2.433 4.433 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.311 -1.291 3.536 1.00 0.00 O ATOM 0 H ASP A 31 -6.473 -1.066 2.279 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.202 -0.831 1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.389 -0.234 4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.695 0.654 3.545 1.00 0.00 H new ATOM 476 N LEU A 32 -8.879 1.806 1.497 1.00 0.00 N ATOM 477 CA LEU A 32 -8.538 3.159 1.096 1.00 0.00 C ATOM 478 C LEU A 32 -9.676 4.104 1.442 1.00 0.00 C ATOM 479 O LEU A 32 -10.844 3.792 1.220 1.00 0.00 O ATOM 480 CB LEU A 32 -8.204 3.258 -0.398 1.00 0.00 C ATOM 481 CG LEU A 32 -8.616 2.065 -1.256 1.00 0.00 C ATOM 482 CD1 LEU A 32 -10.123 1.877 -1.220 1.00 0.00 C ATOM 483 CD2 LEU A 32 -8.127 2.248 -2.684 1.00 0.00 C ATOM 0 H LEU A 32 -9.880 1.637 1.593 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.642 3.446 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.683 4.151 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.128 3.400 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.154 1.166 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.398 1.022 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.443 1.701 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.611 2.773 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.428 1.390 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.562 3.155 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.040 2.331 -2.689 1.00 0.00 H new ATOM 495 N ILE A 33 -9.330 5.262 1.983 1.00 0.00 N ATOM 496 CA ILE A 33 -10.335 6.245 2.346 1.00 0.00 C ATOM 497 C ILE A 33 -10.492 7.255 1.222 1.00 0.00 C ATOM 498 O ILE A 33 -9.687 8.173 1.071 1.00 0.00 O ATOM 499 CB ILE A 33 -9.981 6.977 3.660 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.518 7.410 3.667 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.272 6.098 4.858 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.070 7.997 4.988 1.00 0.00 C ATOM 0 H ILE A 33 -8.369 5.541 2.179 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.274 5.715 2.506 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.604 7.869 3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.891 6.550 3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.361 8.147 2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.016 6.633 5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.331 5.842 4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.679 5.186 4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.020 8.283 4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.672 8.876 5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.195 7.255 5.777 1.00 0.00 H new ATOM 514 N GLN A 34 -11.532 7.056 0.425 1.00 0.00 N ATOM 515 CA GLN A 34 -11.810 7.920 -0.710 1.00 0.00 C ATOM 516 C GLN A 34 -12.198 9.320 -0.249 1.00 0.00 C ATOM 517 O GLN A 34 -12.792 9.495 0.814 1.00 0.00 O ATOM 518 CB GLN A 34 -12.912 7.303 -1.569 1.00 0.00 C ATOM 519 CG GLN A 34 -12.655 5.841 -1.915 1.00 0.00 C ATOM 520 CD GLN A 34 -13.674 5.284 -2.891 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.881 5.419 -2.691 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.192 4.655 -3.955 1.00 0.00 N ATOM 0 H GLN A 34 -12.202 6.296 0.547 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.905 8.012 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.863 7.383 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.009 7.876 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.657 5.743 -2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.671 5.247 -1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.184 4.566 -4.082 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.830 4.261 -4.647 1.00 0.00 H new ATOM 531 N GLY A 35 -11.837 10.316 -1.050 1.00 0.00 N ATOM 532 CA GLY A 35 -12.131 11.694 -0.705 1.00 0.00 C ATOM 533 C GLY A 35 -10.921 12.398 -0.120 1.00 0.00 C ATOM 534 O GLY A 35 -10.870 13.628 -0.071 1.00 0.00 O ATOM 0 H GLY A 35 -11.345 10.193 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.468 12.228 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.951 11.722 0.013 1.00 0.00 H new ATOM 538 N GLN A 36 -9.943 11.610 0.321 1.00 0.00 N ATOM 539 CA GLN A 36 -8.721 12.145 0.904 1.00 0.00 C ATOM 540 C GLN A 36 -7.792 12.685 -0.178 1.00 0.00 C ATOM 541 O GLN A 36 -7.297 13.806 -0.079 1.00 0.00 O ATOM 542 CB GLN A 36 -8.023 11.058 1.728 1.00 0.00 C ATOM 543 CG GLN A 36 -8.465 11.012 3.184 1.00 0.00 C ATOM 544 CD GLN A 36 -9.967 11.139 3.352 1.00 0.00 C ATOM 545 OE1 GLN A 36 -10.463 12.137 3.876 1.00 0.00 O ATOM 546 NE2 GLN A 36 -10.699 10.127 2.905 1.00 0.00 N ATOM 0 H GLN A 36 -9.977 10.591 0.284 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.980 12.975 1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.215 10.088 1.269 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.946 11.222 1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.133 10.074 3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.974 11.816 3.732 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.246 9.319 2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.715 10.156 2.989 1.00 0.00 H new ATOM 555 N TYR A 37 -7.572 11.893 -1.220 1.00 0.00 N ATOM 556 CA TYR A 37 -6.713 12.312 -2.320 1.00 0.00 C ATOM 557 C TYR A 37 -7.360 11.985 -3.665 1.00 0.00 C ATOM 558 O TYR A 37 -7.970 10.928 -3.832 1.00 0.00 O ATOM 559 CB TYR A 37 -5.344 11.642 -2.219 1.00 0.00 C ATOM 560 CG TYR A 37 -4.319 12.426 -1.418 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.264 13.815 -1.472 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.392 11.767 -0.621 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.316 14.519 -0.752 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.441 12.463 0.098 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.405 13.839 0.028 1.00 0.00 C ATOM 566 OH TYR A 37 -1.458 14.538 0.742 1.00 0.00 O ATOM 0 H TYR A 37 -7.974 10.962 -1.326 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.579 13.392 -2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.467 10.659 -1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.956 11.482 -3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.972 14.352 -2.086 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.416 10.689 -0.563 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.289 15.598 -0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.729 11.932 0.712 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.628 14.587 0.224 1.00 0.00 H new ATOM 576 N PRO A 38 -7.243 12.899 -4.644 1.00 0.00 N ATOM 577 CA PRO A 38 -7.829 12.715 -5.978 1.00 0.00 C ATOM 578 C PRO A 38 -7.160 11.599 -6.778 1.00 0.00 C ATOM 579 O PRO A 38 -7.837 10.745 -7.350 1.00 0.00 O ATOM 580 CB PRO A 38 -7.601 14.067 -6.658 1.00 0.00 C ATOM 581 CG PRO A 38 -6.438 14.662 -5.947 1.00 0.00 C ATOM 582 CD PRO A 38 -6.540 14.191 -4.526 1.00 0.00 C ATOM 0 HA PRO A 38 -8.876 12.420 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.394 13.945 -7.721 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.482 14.704 -6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.499 14.342 -6.398 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.463 15.750 -6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.557 14.073 -4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.096 14.896 -3.908 1.00 0.00 H new ATOM 590 N GLU A 39 -5.832 11.615 -6.825 1.00 0.00 N ATOM 591 CA GLU A 39 -5.084 10.606 -7.567 1.00 0.00 C ATOM 592 C GLU A 39 -5.323 9.217 -6.988 1.00 0.00 C ATOM 593 O GLU A 39 -5.612 8.270 -7.720 1.00 0.00 O ATOM 594 CB GLU A 39 -3.590 10.928 -7.548 1.00 0.00 C ATOM 595 CG GLU A 39 -3.185 12.001 -8.547 1.00 0.00 C ATOM 596 CD GLU A 39 -2.865 11.430 -9.915 1.00 0.00 C ATOM 597 OE1 GLU A 39 -2.186 10.383 -9.978 1.00 0.00 O ATOM 598 OE2 GLU A 39 -3.291 12.031 -10.923 1.00 0.00 O ATOM 0 H GLU A 39 -5.253 12.314 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.436 10.617 -8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.310 11.252 -6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.028 10.018 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.991 12.729 -8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.315 12.536 -8.168 1.00 0.00 H new ATOM 605 N ILE A 40 -5.204 9.100 -5.672 1.00 0.00 N ATOM 606 CA ILE A 40 -5.409 7.826 -4.996 1.00 0.00 C ATOM 607 C ILE A 40 -6.804 7.280 -5.276 1.00 0.00 C ATOM 608 O ILE A 40 -6.975 6.091 -5.540 1.00 0.00 O ATOM 609 CB ILE A 40 -5.207 7.964 -3.477 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.919 8.750 -3.189 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.171 6.586 -2.825 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.379 8.562 -1.792 1.00 0.00 C ATOM 0 H ILE A 40 -4.966 9.873 -5.051 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.668 7.128 -5.387 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.044 8.516 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.155 8.449 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.109 9.811 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.028 6.696 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.112 6.069 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.348 6.007 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.469 9.150 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.123 8.891 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.154 7.508 -1.628 1.00 0.00 H new ATOM 624 N ASP A 41 -7.798 8.160 -5.231 1.00 0.00 N ATOM 625 CA ASP A 41 -9.177 7.769 -5.495 1.00 0.00 C ATOM 626 C ASP A 41 -9.335 7.325 -6.946 1.00 0.00 C ATOM 627 O ASP A 41 -10.173 6.481 -7.265 1.00 0.00 O ATOM 628 CB ASP A 41 -10.125 8.935 -5.198 1.00 0.00 C ATOM 629 CG ASP A 41 -11.001 8.680 -3.988 1.00 0.00 C ATOM 630 OD1 ASP A 41 -11.007 7.536 -3.486 1.00 0.00 O ATOM 631 OD2 ASP A 41 -11.684 9.625 -3.539 1.00 0.00 O ATOM 0 H ASP A 41 -7.674 9.149 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.430 6.933 -4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.541 9.841 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.757 9.115 -6.068 1.00 0.00 H new ATOM 636 N SER A 42 -8.522 7.907 -7.820 1.00 0.00 N ATOM 637 CA SER A 42 -8.557 7.588 -9.244 1.00 0.00 C ATOM 638 C SER A 42 -7.447 6.613 -9.622 1.00 0.00 C ATOM 639 O SER A 42 -7.262 6.301 -10.798 1.00 0.00 O ATOM 640 CB SER A 42 -8.403 8.867 -10.065 1.00 0.00 C ATOM 641 OG SER A 42 -9.653 9.504 -10.264 1.00 0.00 O ATOM 0 H SER A 42 -7.825 8.607 -7.566 1.00 0.00 H new ATOM 0 HA SER A 42 -9.517 7.119 -9.458 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.722 9.549 -9.556 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.955 8.631 -11.030 1.00 0.00 H new ATOM 0 HG SER A 42 -9.524 10.320 -10.791 1.00 0.00 H new ATOM 647 N LYS A 43 -6.689 6.156 -8.631 1.00 0.00 N ATOM 648 CA LYS A 43 -5.582 5.247 -8.884 1.00 0.00 C ATOM 649 C LYS A 43 -5.710 3.951 -8.095 1.00 0.00 C ATOM 650 O LYS A 43 -5.944 2.886 -8.667 1.00 0.00 O ATOM 651 CB LYS A 43 -4.267 5.942 -8.534 1.00 0.00 C ATOM 652 CG LYS A 43 -3.870 7.012 -9.537 1.00 0.00 C ATOM 653 CD LYS A 43 -2.523 6.723 -10.179 1.00 0.00 C ATOM 654 CE LYS A 43 -2.682 6.319 -11.637 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.490 6.681 -12.452 1.00 0.00 N ATOM 0 H LYS A 43 -6.822 6.400 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.600 4.984 -9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.354 6.394 -7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.474 5.196 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.633 7.082 -10.312 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.833 7.980 -9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.888 7.606 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.020 5.926 -9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.850 5.244 -11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.565 6.804 -12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.549 6.214 -13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.460 7.712 -12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.627 6.370 -11.962 1.00 0.00 H new ATOM 669 N LEU A 44 -5.528 4.040 -6.785 1.00 0.00 N ATOM 670 CA LEU A 44 -5.592 2.866 -5.924 1.00 0.00 C ATOM 671 C LEU A 44 -7.014 2.345 -5.757 1.00 0.00 C ATOM 672 O LEU A 44 -7.989 3.076 -5.929 1.00 0.00 O ATOM 673 CB LEU A 44 -4.989 3.182 -4.554 1.00 0.00 C ATOM 674 CG LEU A 44 -3.491 3.496 -4.560 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.923 3.390 -3.156 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.748 2.565 -5.509 1.00 0.00 C ATOM 0 H LEU A 44 -5.335 4.913 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.012 2.081 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.521 4.033 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.164 2.333 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.356 4.519 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.857 3.616 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.432 4.099 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.072 2.378 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.685 2.806 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.889 1.532 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.137 2.689 -6.520 1.00 0.00 H new ATOM 688 N GLN A 45 -7.110 1.064 -5.412 1.00 0.00 N ATOM 689 CA GLN A 45 -8.390 0.404 -5.203 1.00 0.00 C ATOM 690 C GLN A 45 -8.221 -0.769 -4.241 1.00 0.00 C ATOM 691 O GLN A 45 -7.134 -0.987 -3.706 1.00 0.00 O ATOM 692 CB GLN A 45 -8.964 -0.085 -6.536 1.00 0.00 C ATOM 693 CG GLN A 45 -10.438 0.238 -6.720 1.00 0.00 C ATOM 694 CD GLN A 45 -10.971 -0.219 -8.062 1.00 0.00 C ATOM 695 OE1 GLN A 45 -11.939 -0.977 -8.134 1.00 0.00 O ATOM 696 NE2 GLN A 45 -10.340 0.240 -9.137 1.00 0.00 N ATOM 0 H GLN A 45 -6.302 0.457 -5.270 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.086 1.121 -4.769 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.398 0.364 -7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.826 -1.164 -6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.012 -0.237 -5.924 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.586 1.313 -6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.542 0.866 -9.031 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.654 -0.034 -10.068 1.00 0.00 H new ATOM 705 N ARG A 46 -9.294 -1.521 -4.021 1.00 0.00 N ATOM 706 CA ARG A 46 -9.242 -2.666 -3.119 1.00 0.00 C ATOM 707 C ARG A 46 -8.901 -3.943 -3.881 1.00 0.00 C ATOM 708 O ARG A 46 -9.764 -4.555 -4.510 1.00 0.00 O ATOM 709 CB ARG A 46 -10.577 -2.830 -2.388 1.00 0.00 C ATOM 710 CG ARG A 46 -10.584 -2.220 -0.996 1.00 0.00 C ATOM 711 CD ARG A 46 -11.895 -2.489 -0.273 1.00 0.00 C ATOM 712 NE ARG A 46 -12.122 -3.917 -0.061 1.00 0.00 N ATOM 713 CZ ARG A 46 -12.718 -4.717 -0.945 1.00 0.00 C ATOM 714 NH1 ARG A 46 -13.145 -4.236 -2.106 1.00 0.00 N ATOM 715 NH2 ARG A 46 -12.886 -6.003 -0.666 1.00 0.00 N ATOM 0 H ARG A 46 -10.205 -1.360 -4.452 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.457 -2.484 -2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.367 -2.370 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.813 -3.891 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.757 -2.628 -0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.422 -1.145 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.890 -1.976 0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.720 -2.073 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.805 -4.327 0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.018 -3.248 -2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.600 -4.854 -2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.559 -6.379 0.224 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.342 -6.616 -1.342 1.00 0.00 H new ATOM 729 N GLY A 47 -7.634 -4.341 -3.816 1.00 0.00 N ATOM 730 CA GLY A 47 -7.194 -5.545 -4.500 1.00 0.00 C ATOM 731 C GLY A 47 -5.907 -5.337 -5.276 1.00 0.00 C ATOM 732 O GLY A 47 -5.749 -5.861 -6.378 1.00 0.00 O ATOM 0 H GLY A 47 -6.903 -3.851 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.049 -6.341 -3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.976 -5.877 -5.183 1.00 0.00 H new ATOM 736 N ASP A 48 -4.985 -4.576 -4.696 1.00 0.00 N ATOM 737 CA ASP A 48 -3.702 -4.303 -5.334 1.00 0.00 C ATOM 738 C ASP A 48 -2.560 -4.538 -4.353 1.00 0.00 C ATOM 739 O ASP A 48 -2.793 -4.813 -3.178 1.00 0.00 O ATOM 740 CB ASP A 48 -3.660 -2.863 -5.849 1.00 0.00 C ATOM 741 CG ASP A 48 -4.143 -2.748 -7.281 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.288 -3.163 -7.557 1.00 0.00 O ATOM 743 OD2 ASP A 48 -3.376 -2.241 -8.128 1.00 0.00 O ATOM 0 H ASP A 48 -5.103 -4.136 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.586 -4.983 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.277 -2.233 -5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.640 -2.485 -5.781 1.00 0.00 H new ATOM 748 N ILE A 49 -1.327 -4.431 -4.842 1.00 0.00 N ATOM 749 CA ILE A 49 -0.150 -4.633 -4.000 1.00 0.00 C ATOM 750 C ILE A 49 0.989 -3.720 -4.429 1.00 0.00 C ATOM 751 O ILE A 49 1.480 -3.816 -5.553 1.00 0.00 O ATOM 752 CB ILE A 49 0.351 -6.092 -4.051 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.825 -7.073 -4.082 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.265 -6.381 -2.868 1.00 0.00 C ATOM 755 CD1 ILE A 49 -0.426 -8.482 -4.461 1.00 0.00 C ATOM 0 H ILE A 49 -1.117 -4.206 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.456 -4.396 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 49 0.923 -6.226 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.300 -7.090 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.570 -6.712 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.610 -7.414 -2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.123 -5.710 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.717 -6.226 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.308 -9.122 -4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.022 -8.479 -5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.297 -8.862 -3.739 1.00 0.00 H new ATOM 767 N ILE A 50 1.420 -2.842 -3.534 1.00 0.00 N ATOM 768 CA ILE A 50 2.507 -1.929 -3.851 1.00 0.00 C ATOM 769 C ILE A 50 3.835 -2.670 -3.864 1.00 0.00 C ATOM 770 O ILE A 50 4.426 -2.935 -2.818 1.00 0.00 O ATOM 771 CB ILE A 50 2.595 -0.767 -2.845 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.234 -0.090 -2.695 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.646 0.241 -3.290 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.967 0.417 -1.297 1.00 0.00 C ATOM 0 H ILE A 50 1.038 -2.743 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 50 2.298 -1.517 -4.838 1.00 0.00 H new ATOM 0 HB ILE A 50 2.890 -1.168 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.172 0.744 -3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.452 -0.797 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.696 1.057 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.617 -0.249 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.378 0.638 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.016 0.886 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.997 -0.417 -0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.728 1.148 -1.024 1.00 0.00 H new ATOM 786 N THR A 51 4.293 -2.998 -5.063 1.00 0.00 N ATOM 787 CA THR A 51 5.552 -3.711 -5.233 1.00 0.00 C ATOM 788 C THR A 51 6.685 -2.748 -5.586 1.00 0.00 C ATOM 789 O THR A 51 7.824 -3.164 -5.804 1.00 0.00 O ATOM 790 CB THR A 51 5.406 -4.785 -6.314 1.00 0.00 C ATOM 791 OG1 THR A 51 5.387 -4.200 -7.604 1.00 0.00 O ATOM 792 CG2 THR A 51 4.148 -5.613 -6.165 1.00 0.00 C ATOM 0 H THR A 51 3.811 -2.781 -5.935 1.00 0.00 H new ATOM 0 HA THR A 51 5.803 -4.192 -4.288 1.00 0.00 H new ATOM 0 HB THR A 51 6.269 -5.439 -6.192 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.295 -4.903 -8.281 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.105 -6.356 -6.962 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.157 -6.118 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.275 -4.963 -6.227 1.00 0.00 H new ATOM 800 N LYS A 52 6.365 -1.457 -5.629 1.00 0.00 N ATOM 801 CA LYS A 52 7.346 -0.424 -5.937 1.00 0.00 C ATOM 802 C LYS A 52 6.966 0.874 -5.237 1.00 0.00 C ATOM 803 O LYS A 52 5.789 1.230 -5.171 1.00 0.00 O ATOM 804 CB LYS A 52 7.441 -0.202 -7.448 1.00 0.00 C ATOM 805 CG LYS A 52 8.774 -0.630 -8.043 1.00 0.00 C ATOM 806 CD LYS A 52 9.279 0.380 -9.062 1.00 0.00 C ATOM 807 CE LYS A 52 10.788 0.298 -9.225 1.00 0.00 C ATOM 808 NZ LYS A 52 11.299 1.318 -10.181 1.00 0.00 N ATOM 0 H LYS A 52 5.426 -1.101 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 52 8.322 -0.751 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.639 -0.754 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.279 0.854 -7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.509 -0.744 -7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.665 -1.605 -8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.798 0.201 -10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.000 1.386 -8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.266 0.437 -8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.062 -0.697 -9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.284 1.553 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.256 0.939 -11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.714 2.176 -10.119 1.00 0.00 H new ATOM 822 N PHE A 53 7.958 1.572 -4.703 1.00 0.00 N ATOM 823 CA PHE A 53 7.706 2.819 -3.994 1.00 0.00 C ATOM 824 C PHE A 53 8.860 3.800 -4.173 1.00 0.00 C ATOM 825 O PHE A 53 9.969 3.567 -3.692 1.00 0.00 O ATOM 826 CB PHE A 53 7.479 2.525 -2.510 1.00 0.00 C ATOM 827 CG PHE A 53 7.239 3.745 -1.673 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.301 4.488 -1.188 1.00 0.00 C ATOM 829 CD2 PHE A 53 5.949 4.143 -1.363 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.083 5.608 -0.410 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.723 5.260 -0.586 1.00 0.00 C ATOM 832 CZ PHE A 53 6.792 5.994 -0.110 1.00 0.00 C ATOM 0 H PHE A 53 8.940 1.298 -4.746 1.00 0.00 H new ATOM 0 HA PHE A 53 6.813 3.282 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.625 1.855 -2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.347 1.995 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.312 4.188 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.111 3.572 -1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.920 6.180 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.713 5.560 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.618 6.870 0.497 1.00 0.00 H new ATOM 842 N ASN A 54 8.589 4.900 -4.871 1.00 0.00 N ATOM 843 CA ASN A 54 9.599 5.923 -5.119 1.00 0.00 C ATOM 844 C ASN A 54 10.832 5.320 -5.789 1.00 0.00 C ATOM 845 O ASN A 54 11.962 5.566 -5.370 1.00 0.00 O ATOM 846 CB ASN A 54 9.994 6.606 -3.809 1.00 0.00 C ATOM 847 CG ASN A 54 9.154 7.836 -3.522 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.639 8.965 -3.601 1.00 0.00 O ATOM 849 ND2 ASN A 54 7.887 7.623 -3.186 1.00 0.00 N ATOM 0 H ASN A 54 7.675 5.105 -5.276 1.00 0.00 H new ATOM 0 HA ASN A 54 9.172 6.666 -5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.889 5.898 -2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.046 6.890 -3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.274 8.412 -2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.527 6.670 -3.133 1.00 0.00 H new ATOM 856 N GLY A 55 10.604 4.529 -6.831 1.00 0.00 N ATOM 857 CA GLY A 55 11.705 3.900 -7.539 1.00 0.00 C ATOM 858 C GLY A 55 12.422 2.867 -6.692 1.00 0.00 C ATOM 859 O GLY A 55 13.577 2.532 -6.957 1.00 0.00 O ATOM 0 H GLY A 55 9.678 4.312 -7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.327 3.425 -8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.415 4.665 -7.853 1.00 0.00 H new ATOM 863 N ASP A 56 11.737 2.360 -5.672 1.00 0.00 N ATOM 864 CA ASP A 56 12.315 1.357 -4.785 1.00 0.00 C ATOM 865 C ASP A 56 11.399 0.143 -4.676 1.00 0.00 C ATOM 866 O ASP A 56 10.368 0.188 -4.006 1.00 0.00 O ATOM 867 CB ASP A 56 12.559 1.952 -3.398 1.00 0.00 C ATOM 868 CG ASP A 56 13.376 1.034 -2.510 1.00 0.00 C ATOM 869 OD1 ASP A 56 12.772 0.189 -1.817 1.00 0.00 O ATOM 870 OD2 ASP A 56 14.619 1.160 -2.510 1.00 0.00 O ATOM 0 H ASP A 56 10.781 2.627 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 56 13.268 1.038 -5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.075 2.907 -3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.601 2.157 -2.920 1.00 0.00 H new ATOM 875 N ALA A 57 11.783 -0.942 -5.340 1.00 0.00 N ATOM 876 CA ALA A 57 10.996 -2.169 -5.322 1.00 0.00 C ATOM 877 C ALA A 57 10.744 -2.643 -3.895 1.00 0.00 C ATOM 878 O ALA A 57 11.680 -2.831 -3.117 1.00 0.00 O ATOM 879 CB ALA A 57 11.696 -3.254 -6.124 1.00 0.00 C ATOM 0 H ALA A 57 12.635 -0.996 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 57 10.030 -1.957 -5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.098 -4.165 -6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.817 -2.923 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.676 -3.453 -5.690 1.00 0.00 H new ATOM 885 N LEU A 58 9.473 -2.841 -3.559 1.00 0.00 N ATOM 886 CA LEU A 58 9.095 -3.298 -2.227 1.00 0.00 C ATOM 887 C LEU A 58 8.893 -4.811 -2.210 1.00 0.00 C ATOM 888 O LEU A 58 8.126 -5.336 -1.403 1.00 0.00 O ATOM 889 CB LEU A 58 7.815 -2.593 -1.767 1.00 0.00 C ATOM 890 CG LEU A 58 7.790 -1.078 -1.990 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.357 -0.564 -2.047 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.568 -0.364 -0.895 1.00 0.00 C ATOM 0 H LEU A 58 8.687 -2.692 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 58 9.904 -3.050 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.967 -3.035 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.672 -2.790 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 58 8.267 -0.867 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.363 0.514 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.829 -1.049 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.852 -0.789 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.539 0.711 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.120 -0.586 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.603 -0.705 -0.903 1.00 0.00 H new ATOM 904 N GLU A 59 9.586 -5.509 -3.107 1.00 0.00 N ATOM 905 CA GLU A 59 9.483 -6.961 -3.195 1.00 0.00 C ATOM 906 C GLU A 59 10.389 -7.637 -2.172 1.00 0.00 C ATOM 907 O GLU A 59 11.499 -7.175 -1.907 1.00 0.00 O ATOM 908 CB GLU A 59 9.847 -7.433 -4.605 1.00 0.00 C ATOM 909 CG GLU A 59 9.038 -8.630 -5.073 1.00 0.00 C ATOM 910 CD GLU A 59 9.485 -9.140 -6.430 1.00 0.00 C ATOM 911 OE1 GLU A 59 10.708 -9.173 -6.677 1.00 0.00 O ATOM 912 OE2 GLU A 59 8.611 -9.506 -7.244 1.00 0.00 O ATOM 0 H GLU A 59 10.225 -5.091 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 59 8.452 -7.240 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.700 -6.610 -5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.906 -7.688 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.126 -9.432 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.984 -8.356 -5.121 1.00 0.00 H new ATOM 919 N GLY A 60 9.905 -8.735 -1.600 1.00 0.00 N ATOM 920 CA GLY A 60 10.679 -9.460 -0.613 1.00 0.00 C ATOM 921 C GLY A 60 10.944 -8.643 0.637 1.00 0.00 C ATOM 922 O GLY A 60 11.885 -8.924 1.380 1.00 0.00 O ATOM 0 H GLY A 60 8.989 -9.135 -1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.149 -10.373 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.629 -9.763 -1.053 1.00 0.00 H new ATOM 926 N LEU A 61 10.116 -7.630 0.871 1.00 0.00 N ATOM 927 CA LEU A 61 10.270 -6.773 2.042 1.00 0.00 C ATOM 928 C LEU A 61 9.048 -6.877 2.956 1.00 0.00 C ATOM 929 O LEU A 61 7.911 -6.867 2.483 1.00 0.00 O ATOM 930 CB LEU A 61 10.473 -5.319 1.611 1.00 0.00 C ATOM 931 CG LEU A 61 11.862 -4.994 1.059 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.877 -3.610 0.431 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.908 -5.092 2.161 1.00 0.00 C ATOM 0 H LEU A 61 9.333 -7.382 0.267 1.00 0.00 H new ATOM 0 HA LEU A 61 11.147 -7.108 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.731 -5.074 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.278 -4.672 2.466 1.00 0.00 H new ATOM 0 HG LEU A 61 12.105 -5.723 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.873 -3.397 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.155 -3.573 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.613 -2.866 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.891 -4.858 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.668 -4.385 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.916 -6.104 2.567 1.00 0.00 H new ATOM 945 N PRO A 62 9.264 -6.977 4.281 1.00 0.00 N ATOM 946 CA PRO A 62 8.168 -7.082 5.251 1.00 0.00 C ATOM 947 C PRO A 62 7.204 -5.904 5.156 1.00 0.00 C ATOM 948 O PRO A 62 7.171 -5.198 4.149 1.00 0.00 O ATOM 949 CB PRO A 62 8.879 -7.077 6.609 1.00 0.00 C ATOM 950 CG PRO A 62 10.274 -7.511 6.314 1.00 0.00 C ATOM 951 CD PRO A 62 10.584 -6.998 4.937 1.00 0.00 C ATOM 0 HA PRO A 62 7.561 -7.971 5.080 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.861 -6.085 7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.394 -7.756 7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.972 -7.107 7.047 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.362 -8.597 6.355 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.034 -6.006 4.969 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.284 -7.649 4.413 1.00 0.00 H new ATOM 959 N PHE A 63 6.424 -5.694 6.211 1.00 0.00 N ATOM 960 CA PHE A 63 5.463 -4.597 6.239 1.00 0.00 C ATOM 961 C PHE A 63 6.019 -3.402 7.006 1.00 0.00 C ATOM 962 O PHE A 63 5.635 -2.260 6.755 1.00 0.00 O ATOM 963 CB PHE A 63 4.145 -5.050 6.868 1.00 0.00 C ATOM 964 CG PHE A 63 3.065 -4.007 6.804 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.903 -3.225 5.670 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.211 -3.808 7.876 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.913 -2.267 5.608 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.217 -2.848 7.820 1.00 0.00 C ATOM 969 CZ PHE A 63 1.068 -2.076 6.684 1.00 0.00 C ATOM 0 H PHE A 63 6.438 -6.266 7.055 1.00 0.00 H new ATOM 0 HA PHE A 63 5.277 -4.292 5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.800 -5.951 6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.321 -5.317 7.910 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.560 -3.368 4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.323 -4.409 8.766 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.798 -1.666 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.558 -2.702 8.663 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.293 -1.325 6.637 1.00 0.00 H new ATOM 979 N GLN A 64 6.927 -3.668 7.940 1.00 0.00 N ATOM 980 CA GLN A 64 7.531 -2.606 8.739 1.00 0.00 C ATOM 981 C GLN A 64 8.207 -1.576 7.840 1.00 0.00 C ATOM 982 O GLN A 64 8.036 -0.369 8.022 1.00 0.00 O ATOM 983 CB GLN A 64 8.548 -3.191 9.719 1.00 0.00 C ATOM 984 CG GLN A 64 9.656 -3.986 9.047 1.00 0.00 C ATOM 985 CD GLN A 64 10.347 -4.944 9.997 1.00 0.00 C ATOM 986 OE1 GLN A 64 11.570 -4.922 10.138 1.00 0.00 O ATOM 987 NE2 GLN A 64 9.565 -5.792 10.655 1.00 0.00 N ATOM 0 H GLN A 64 7.260 -4.606 8.162 1.00 0.00 H new ATOM 0 HA GLN A 64 6.740 -2.111 9.303 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.993 -2.379 10.295 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.028 -3.836 10.427 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.239 -4.547 8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.392 -3.297 8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.556 -5.775 10.507 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.973 -6.460 11.308 1.00 0.00 H new ATOM 996 N VAL A 65 8.971 -2.059 6.866 1.00 0.00 N ATOM 997 CA VAL A 65 9.670 -1.183 5.934 1.00 0.00 C ATOM 998 C VAL A 65 8.682 -0.382 5.092 1.00 0.00 C ATOM 999 O VAL A 65 8.772 0.843 5.008 1.00 0.00 O ATOM 1000 CB VAL A 65 10.596 -1.982 4.998 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.437 -1.042 4.146 1.00 0.00 C ATOM 1002 CG2 VAL A 65 11.485 -2.924 5.798 1.00 0.00 C ATOM 0 H VAL A 65 9.122 -3.054 6.702 1.00 0.00 H new ATOM 0 HA VAL A 65 10.274 -0.500 6.531 1.00 0.00 H new ATOM 0 HB VAL A 65 9.975 -2.582 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.085 -1.625 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.782 -0.414 3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 65 12.048 -0.413 4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.131 -3.479 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.097 -2.346 6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.864 -3.622 6.359 1.00 0.00 H new ATOM 1012 N CYS A 66 7.738 -1.083 4.472 1.00 0.00 N ATOM 1013 CA CYS A 66 6.729 -0.439 3.636 1.00 0.00 C ATOM 1014 C CYS A 66 5.957 0.614 4.426 1.00 0.00 C ATOM 1015 O CYS A 66 5.812 1.754 3.983 1.00 0.00 O ATOM 1016 CB CYS A 66 5.762 -1.483 3.076 1.00 0.00 C ATOM 1017 SG CYS A 66 6.504 -2.606 1.870 1.00 0.00 S ATOM 0 H CYS A 66 7.650 -2.097 4.532 1.00 0.00 H new ATOM 0 HA CYS A 66 7.239 0.056 2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.359 -2.069 3.902 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.921 -0.970 2.609 1.00 0.00 H new ATOM 0 HG CYS A 66 6.885 -3.695 2.468 1.00 0.00 H new ATOM 1023 N TYR A 67 5.466 0.227 5.596 1.00 0.00 N ATOM 1024 CA TYR A 67 4.711 1.141 6.446 1.00 0.00 C ATOM 1025 C TYR A 67 5.553 2.357 6.825 1.00 0.00 C ATOM 1026 O TYR A 67 5.025 3.450 7.024 1.00 0.00 O ATOM 1027 CB TYR A 67 4.240 0.423 7.711 1.00 0.00 C ATOM 1028 CG TYR A 67 3.190 1.191 8.483 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.949 1.462 7.921 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.442 1.647 9.771 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.988 2.167 8.620 1.00 0.00 C ATOM 1032 CE2 TYR A 67 2.485 2.352 10.476 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.261 2.609 9.897 1.00 0.00 C ATOM 1034 OH TYR A 67 0.307 3.311 10.597 1.00 0.00 O ATOM 0 H TYR A 67 5.576 -0.712 5.979 1.00 0.00 H new ATOM 0 HA TYR A 67 3.842 1.483 5.883 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.838 -0.553 7.438 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.098 0.244 8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.732 1.116 6.921 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.400 1.448 10.228 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.028 2.371 8.168 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.695 2.700 11.476 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.198 2.696 11.169 1.00 0.00 H new ATOM 1044 N ALA A 68 6.865 2.157 6.932 1.00 0.00 N ATOM 1045 CA ALA A 68 7.776 3.235 7.303 1.00 0.00 C ATOM 1046 C ALA A 68 7.948 4.257 6.181 1.00 0.00 C ATOM 1047 O ALA A 68 7.806 5.460 6.404 1.00 0.00 O ATOM 1048 CB ALA A 68 9.128 2.663 7.696 1.00 0.00 C ATOM 0 H ALA A 68 7.320 1.259 6.767 1.00 0.00 H new ATOM 0 HA ALA A 68 7.336 3.755 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.801 3.475 7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.006 1.990 8.545 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.549 2.113 6.854 1.00 0.00 H new ATOM 1054 N LEU A 69 8.253 3.779 4.979 1.00 0.00 N ATOM 1055 CA LEU A 69 8.441 4.674 3.840 1.00 0.00 C ATOM 1056 C LEU A 69 7.117 5.311 3.437 1.00 0.00 C ATOM 1057 O LEU A 69 7.080 6.454 2.983 1.00 0.00 O ATOM 1058 CB LEU A 69 9.051 3.926 2.652 1.00 0.00 C ATOM 1059 CG LEU A 69 8.434 2.558 2.356 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.691 2.578 1.028 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.506 1.477 2.351 1.00 0.00 C ATOM 0 H LEU A 69 8.374 2.788 4.768 1.00 0.00 H new ATOM 0 HA LEU A 69 9.132 5.462 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.956 4.550 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.117 3.794 2.836 1.00 0.00 H new ATOM 0 HG LEU A 69 7.718 2.330 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.260 1.595 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.895 3.322 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.385 2.832 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.048 0.511 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.247 1.703 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.992 1.442 3.326 1.00 0.00 H new ATOM 1073 N PHE A 70 6.031 4.569 3.619 1.00 0.00 N ATOM 1074 CA PHE A 70 4.704 5.069 3.286 1.00 0.00 C ATOM 1075 C PHE A 70 4.253 6.097 4.317 1.00 0.00 C ATOM 1076 O PHE A 70 3.477 7.002 4.010 1.00 0.00 O ATOM 1077 CB PHE A 70 3.700 3.918 3.213 1.00 0.00 C ATOM 1078 CG PHE A 70 3.498 3.389 1.822 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.766 4.112 0.895 1.00 0.00 C ATOM 1080 CD2 PHE A 70 4.045 2.175 1.440 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.582 3.633 -0.387 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.866 1.692 0.158 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.133 2.422 -0.758 1.00 0.00 C ATOM 0 H PHE A 70 6.044 3.621 3.995 1.00 0.00 H new ATOM 0 HA PHE A 70 4.751 5.550 2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.041 3.107 3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.742 4.256 3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.334 5.061 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.618 1.600 2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.007 4.205 -1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.299 0.745 -0.128 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.991 2.047 -1.761 1.00 0.00 H new ATOM 1093 N LYS A 71 4.750 5.952 5.544 1.00 0.00 N ATOM 1094 CA LYS A 71 4.406 6.868 6.625 1.00 0.00 C ATOM 1095 C LYS A 71 5.282 8.116 6.577 1.00 0.00 C ATOM 1096 O LYS A 71 4.827 9.221 6.872 1.00 0.00 O ATOM 1097 CB LYS A 71 4.572 6.178 7.981 1.00 0.00 C ATOM 1098 CG LYS A 71 3.322 5.455 8.457 1.00 0.00 C ATOM 1099 CD LYS A 71 3.238 5.427 9.977 1.00 0.00 C ATOM 1100 CE LYS A 71 4.493 4.832 10.597 1.00 0.00 C ATOM 1101 NZ LYS A 71 4.470 4.915 12.083 1.00 0.00 N ATOM 0 H LYS A 71 5.393 5.207 5.813 1.00 0.00 H new ATOM 0 HA LYS A 71 3.365 7.164 6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.392 5.463 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.856 6.922 8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.439 5.948 8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.322 4.435 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.091 6.440 10.352 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.369 4.844 10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.589 3.790 10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.370 5.357 10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.342 4.499 12.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.404 5.911 12.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.648 4.393 12.447 1.00 0.00 H new ATOM 1115 N GLY A 72 6.546 7.927 6.210 1.00 0.00 N ATOM 1116 CA GLY A 72 7.474 9.041 6.136 1.00 0.00 C ATOM 1117 C GLY A 72 7.358 9.827 4.845 1.00 0.00 C ATOM 1118 O GLY A 72 7.824 10.961 4.765 1.00 0.00 O ATOM 0 H GLY A 72 6.944 7.021 5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.298 9.710 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.492 8.665 6.235 1.00 0.00 H new ATOM 1122 N ALA A 73 6.740 9.228 3.828 1.00 0.00 N ATOM 1123 CA ALA A 73 6.573 9.886 2.535 1.00 0.00 C ATOM 1124 C ALA A 73 6.075 11.322 2.695 1.00 0.00 C ATOM 1125 O ALA A 73 5.108 11.579 3.410 1.00 0.00 O ATOM 1126 CB ALA A 73 5.618 9.088 1.661 1.00 0.00 C ATOM 0 H ALA A 73 6.347 8.288 3.875 1.00 0.00 H new ATOM 0 HA ALA A 73 7.549 9.928 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.501 9.588 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.020 8.087 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.648 9.016 2.153 1.00 0.00 H new ATOM 1132 N ASN A 74 6.742 12.253 2.020 1.00 0.00 N ATOM 1133 CA ASN A 74 6.366 13.662 2.083 1.00 0.00 C ATOM 1134 C ASN A 74 6.950 14.430 0.902 1.00 0.00 C ATOM 1135 O ASN A 74 8.137 14.749 0.880 1.00 0.00 O ATOM 1136 CB ASN A 74 6.833 14.287 3.400 1.00 0.00 C ATOM 1137 CG ASN A 74 8.341 14.269 3.551 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.008 15.286 3.365 1.00 0.00 O ATOM 1139 ND2 ASN A 74 8.882 13.107 3.889 1.00 0.00 N ATOM 0 H ASN A 74 7.546 12.058 1.423 1.00 0.00 H new ATOM 0 HA ASN A 74 5.279 13.723 2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.478 15.316 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.382 13.749 4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.892 13.029 4.005 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.288 12.290 4.033 1.00 0.00 H new ATOM 1146 N GLY A 75 6.105 14.717 -0.081 1.00 0.00 N ATOM 1147 CA GLY A 75 6.549 15.438 -1.259 1.00 0.00 C ATOM 1148 C GLY A 75 6.576 14.558 -2.491 1.00 0.00 C ATOM 1149 O GLY A 75 7.611 13.986 -2.832 1.00 0.00 O ATOM 0 H GLY A 75 5.117 14.462 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.887 16.286 -1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.545 15.842 -1.081 1.00 0.00 H new ATOM 1153 N LYS A 76 5.432 14.444 -3.157 1.00 0.00 N ATOM 1154 CA LYS A 76 5.318 13.624 -4.354 1.00 0.00 C ATOM 1155 C LYS A 76 5.679 12.173 -4.046 1.00 0.00 C ATOM 1156 O LYS A 76 6.840 11.848 -3.791 1.00 0.00 O ATOM 1157 CB LYS A 76 6.217 14.177 -5.457 1.00 0.00 C ATOM 1158 CG LYS A 76 5.568 14.162 -6.833 1.00 0.00 C ATOM 1159 CD LYS A 76 4.889 15.485 -7.145 1.00 0.00 C ATOM 1160 CE LYS A 76 3.374 15.366 -7.072 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.693 16.579 -7.605 1.00 0.00 N ATOM 0 H LYS A 76 4.568 14.912 -2.885 1.00 0.00 H new ATOM 0 HA LYS A 76 4.284 13.652 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.497 15.200 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.137 13.594 -5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.324 13.953 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.836 13.356 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.230 16.245 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.181 15.819 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.051 14.491 -7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.072 15.206 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.662 16.457 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.980 17.410 -7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.960 16.718 -8.600 1.00 0.00 H new ATOM 1175 N VAL A 77 4.672 11.308 -4.059 1.00 0.00 N ATOM 1176 CA VAL A 77 4.867 9.891 -3.770 1.00 0.00 C ATOM 1177 C VAL A 77 4.384 9.016 -4.917 1.00 0.00 C ATOM 1178 O VAL A 77 3.181 8.865 -5.126 1.00 0.00 O ATOM 1179 CB VAL A 77 4.113 9.470 -2.494 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.032 9.518 -1.288 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.888 10.337 -2.277 1.00 0.00 C ATOM 0 H VAL A 77 3.707 11.564 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 77 5.939 9.751 -3.629 1.00 0.00 H new ATOM 0 HB VAL A 77 3.776 8.441 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.480 9.217 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.870 8.838 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.407 10.533 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.373 10.019 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.193 11.379 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.216 10.237 -3.129 1.00 0.00 H new ATOM 1191 N SER A 78 5.325 8.426 -5.644 1.00 0.00 N ATOM 1192 CA SER A 78 4.991 7.549 -6.760 1.00 0.00 C ATOM 1193 C SER A 78 5.111 6.088 -6.339 1.00 0.00 C ATOM 1194 O SER A 78 6.208 5.600 -6.069 1.00 0.00 O ATOM 1195 CB SER A 78 5.905 7.832 -7.951 1.00 0.00 C ATOM 1196 OG SER A 78 5.509 7.090 -9.089 1.00 0.00 O ATOM 0 H SER A 78 6.326 8.539 -5.481 1.00 0.00 H new ATOM 0 HA SER A 78 3.961 7.744 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.885 8.897 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.934 7.582 -7.691 1.00 0.00 H new ATOM 0 HG SER A 78 6.110 7.292 -9.836 1.00 0.00 H new ATOM 1202 N MET A 79 3.978 5.400 -6.272 1.00 0.00 N ATOM 1203 CA MET A 79 3.957 4.000 -5.867 1.00 0.00 C ATOM 1204 C MET A 79 3.392 3.109 -6.969 1.00 0.00 C ATOM 1205 O MET A 79 2.264 3.308 -7.419 1.00 0.00 O ATOM 1206 CB MET A 79 3.126 3.825 -4.592 1.00 0.00 C ATOM 1207 CG MET A 79 3.087 5.060 -3.707 1.00 0.00 C ATOM 1208 SD MET A 79 1.628 6.078 -3.999 1.00 0.00 S ATOM 1209 CE MET A 79 0.650 5.691 -2.549 1.00 0.00 C ATOM 0 H MET A 79 3.061 5.789 -6.493 1.00 0.00 H new ATOM 0 HA MET A 79 4.987 3.699 -5.675 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.107 3.556 -4.869 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.531 2.991 -4.018 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.108 4.754 -2.661 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.982 5.656 -3.882 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.295 6.232 -2.593 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.454 4.619 -2.518 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.196 5.986 -1.653 1.00 0.00 H new ATOM 1219 N GLU A 80 4.172 2.116 -7.385 1.00 0.00 N ATOM 1220 CA GLU A 80 3.728 1.188 -8.420 1.00 0.00 C ATOM 1221 C GLU A 80 2.947 0.041 -7.791 1.00 0.00 C ATOM 1222 O GLU A 80 3.527 -0.854 -7.176 1.00 0.00 O ATOM 1223 CB GLU A 80 4.918 0.643 -9.217 1.00 0.00 C ATOM 1224 CG GLU A 80 4.838 0.940 -10.706 1.00 0.00 C ATOM 1225 CD GLU A 80 6.145 1.458 -11.270 1.00 0.00 C ATOM 1226 OE1 GLU A 80 6.898 2.113 -10.517 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.418 1.210 -12.463 1.00 0.00 O ATOM 0 H GLU A 80 5.109 1.934 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 80 3.078 1.728 -9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.838 1.070 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.978 -0.436 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.551 0.033 -11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.053 1.675 -10.884 1.00 0.00 H new ATOM 1234 N VAL A 81 1.631 0.082 -7.939 1.00 0.00 N ATOM 1235 CA VAL A 81 0.769 -0.949 -7.374 1.00 0.00 C ATOM 1236 C VAL A 81 0.448 -2.031 -8.394 1.00 0.00 C ATOM 1237 O VAL A 81 0.258 -1.751 -9.578 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.549 -0.364 -6.832 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.363 0.145 -5.411 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -1.057 0.738 -7.740 1.00 0.00 C ATOM 0 H VAL A 81 1.136 0.817 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 81 1.326 -1.389 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.296 -1.157 -6.813 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.305 0.555 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.051 -0.678 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.400 0.924 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.989 1.138 -7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.315 1.534 -7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.234 0.335 -8.737 1.00 0.00 H new ATOM 1250 N THR A 82 0.389 -3.268 -7.919 1.00 0.00 N ATOM 1251 CA THR A 82 0.093 -4.413 -8.768 1.00 0.00 C ATOM 1252 C THR A 82 -1.300 -4.954 -8.463 1.00 0.00 C ATOM 1253 O THR A 82 -1.604 -5.298 -7.321 1.00 0.00 O ATOM 1254 CB THR A 82 1.147 -5.503 -8.553 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.422 -5.054 -8.972 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.851 -6.790 -9.292 1.00 0.00 C ATOM 0 H THR A 82 0.544 -3.505 -6.939 1.00 0.00 H new ATOM 0 HA THR A 82 0.118 -4.097 -9.811 1.00 0.00 H new ATOM 0 HB THR A 82 1.127 -5.710 -7.483 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.745 -4.365 -8.355 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.640 -7.514 -9.092 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.104 -7.192 -8.955 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.803 -6.592 -10.363 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.144 -5.020 -9.486 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.506 -5.513 -9.318 1.00 0.00 C ATOM 1266 C ARG A 83 -3.651 -6.930 -9.868 1.00 0.00 C ATOM 1267 O ARG A 83 -3.922 -7.121 -11.054 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.498 -4.581 -10.017 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.948 -4.999 -9.846 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.833 -4.397 -10.924 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.242 -4.392 -10.538 1.00 0.00 N ATOM 1272 CZ ARG A 83 -8.770 -3.532 -9.670 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -8.011 -2.606 -9.097 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -10.061 -3.596 -9.375 1.00 0.00 N ATOM 0 H ARG A 83 -1.910 -4.739 -10.438 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.724 -5.535 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.371 -3.571 -9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.262 -4.544 -11.081 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.021 -6.086 -9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.304 -4.686 -8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.510 -3.376 -11.130 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.713 -4.962 -11.849 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.857 -5.088 -10.958 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.017 -2.551 -9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.421 -1.950 -8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.650 -4.304 -9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.465 -2.937 -8.710 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.476 -7.948 -9.007 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.591 -9.352 -9.410 1.00 0.00 C ATOM 1290 C PRO A 84 -5.038 -9.765 -9.656 1.00 0.00 C ATOM 1291 O PRO A 84 -5.948 -8.936 -9.605 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.018 -10.108 -8.212 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.264 -9.214 -7.048 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.151 -7.809 -7.574 1.00 0.00 C ATOM 0 HA PRO A 84 -3.073 -9.553 -10.348 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.508 -11.073 -8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -1.954 -10.306 -8.341 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.251 -9.393 -6.620 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.536 -9.394 -6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.843 -7.135 -7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.149 -7.405 -7.427 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.722 1.862 9.890 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.734 0.957 9.312 1.00 0.00 C ATOM 1574 C GLN A 103 -6.309 1.430 9.568 1.00 0.00 C ATOM 1575 O GLN A 103 -6.087 2.492 10.148 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.962 0.844 7.804 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.236 0.114 7.438 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.979 -1.284 6.912 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -8.085 -1.497 6.096 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -9.763 -2.247 7.382 1.00 0.00 N ATOM 0 HA GLN A 103 -7.858 -0.015 9.790 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.990 1.845 7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.114 0.327 7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.881 0.055 8.315 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.775 0.688 6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.493 -2.025 8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.635 -3.208 7.066 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.347 0.639 9.103 1.00 0.00 N ATOM 1590 CA TYR A 104 -3.939 0.983 9.247 1.00 0.00 C ATOM 1591 C TYR A 104 -3.549 1.928 8.122 1.00 0.00 C ATOM 1592 O TYR A 104 -3.259 1.496 7.007 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.073 -0.277 9.200 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.762 -0.152 9.946 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.718 0.391 11.223 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.571 -0.582 9.374 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.524 0.502 11.911 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.627 -0.473 10.055 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.644 0.068 11.323 1.00 0.00 C ATOM 1600 OH TYR A 104 1.836 0.176 12.005 1.00 0.00 O ATOM 0 H TYR A 104 -5.518 -0.245 8.623 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.780 1.468 10.210 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.639 -1.110 9.618 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.865 -0.523 8.159 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.632 0.732 11.687 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.581 -1.008 8.382 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.507 0.927 12.904 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.545 -0.810 9.596 1.00 0.00 H new ATOM 0 HH TYR A 104 2.454 0.742 11.497 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.570 3.220 8.413 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.248 4.226 7.413 1.00 0.00 C ATOM 1612 C TRP A 105 -1.842 4.784 7.607 1.00 0.00 C ATOM 1613 O TRP A 105 -1.411 5.037 8.732 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.275 5.358 7.475 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.697 4.876 7.482 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.484 4.627 8.572 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.499 4.569 6.338 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.727 4.209 8.170 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.757 4.161 6.808 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.283 4.604 4.965 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.783 3.793 5.951 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.304 4.234 4.123 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.541 3.834 4.621 1.00 0.00 C ATOM 0 H TRP A 105 -3.806 3.596 9.331 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.281 3.751 6.432 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.096 5.951 8.372 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.128 6.019 6.621 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.172 4.743 9.600 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.502 3.973 8.789 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.329 4.917 4.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.745 3.484 6.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.144 4.254 3.055 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.323 3.551 3.932 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.134 4.973 6.497 1.00 0.00 N ATOM 1635 CA VAL A 106 0.223 5.506 6.536 1.00 0.00 C ATOM 1636 C VAL A 106 0.217 7.028 6.449 1.00 0.00 C ATOM 1637 O VAL A 106 1.222 7.648 6.856 1.00 0.00 O ATOM 1638 CB VAL A 106 1.083 4.943 5.390 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.379 3.469 5.619 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.394 5.155 4.050 1.00 0.00 C ATOM 1641 OXT VAL A 106 -0.793 7.589 5.972 1.00 0.00 O ATOM 0 H VAL A 106 -1.478 4.765 5.560 1.00 0.00 H new ATOM 0 HA VAL A 106 0.655 5.199 7.488 1.00 0.00 H new ATOM 0 HB VAL A 106 2.031 5.481 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.988 3.088 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.919 3.348 6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.443 2.913 5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.017 4.751 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.569 4.645 4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.240 6.221 3.885 1.00 0.00 H new