USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 18 LYS NZ :NH3+ 167:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 21 GLN : amide:sc= 0.991 K(o=2.3,f=-8.6!) USER MOD Set 2.1: A 1 MET CE :methyl -137:sc= -0.0104 (180deg=-0.256) USER MOD Set 2.2: A 16 THR OG1 : rot 92:sc= 1.2 USER MOD Set 3.1: A 6 SER OG : rot 180:sc= -0.0197 USER MOD Set 3.2: A 13 LYS NZ :NH3+ 180:sc= 1.33 (180deg=1.25) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00318 (180deg=-0.14) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.7!) USER MOD Single : A 17 ASN : amide:sc= -0.353 K(o=-0.35,f=-1.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00885 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 121:sc= 0.00295 USER MOD Single : A 49 SER OG : rot -39:sc= 0.595 USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -117:sc= 0.236 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 68 ASN : amide:sc= -0.429 K(o=-0.43,f=-2.1!) USER MOD Single : A 69 MET CE :methyl -148:sc= -0.138 (180deg=-1.46) USER MOD Single : A 70 CYS SG : rot 78:sc= 1.12 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl 157:sc= -0.548 (180deg=-2.36) USER MOD Single : A 78 TYR OH : rot 50:sc= -0.291 USER MOD Single : A 80 GLN : amide:sc= -0.0726 K(o=-0.073,f=-0.66) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= 1.23 (180deg=0.898) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.493 -6.900 -8.465 1.00 0.00 N ATOM 2 CA MET A 1 6.294 -7.518 -7.843 1.00 0.00 C ATOM 3 C MET A 1 5.391 -8.113 -8.920 1.00 0.00 C ATOM 4 O MET A 1 4.910 -9.249 -8.794 1.00 0.00 O ATOM 5 CB MET A 1 5.522 -6.475 -7.028 1.00 0.00 C ATOM 6 CG MET A 1 6.308 -5.909 -5.854 1.00 0.00 C ATOM 7 SD MET A 1 5.352 -4.741 -4.864 1.00 0.00 S ATOM 8 CE MET A 1 5.157 -3.384 -6.017 1.00 0.00 C ATOM 0 H1 MET A 1 8.179 -6.650 -7.724 1.00 0.00 H new ATOM 0 H2 MET A 1 7.928 -7.575 -9.126 1.00 0.00 H new ATOM 0 H3 MET A 1 7.213 -6.042 -8.981 1.00 0.00 H new ATOM 0 HA MET A 1 6.619 -8.315 -7.175 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.230 -5.657 -7.686 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.603 -6.927 -6.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.641 -6.729 -5.218 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.203 -5.412 -6.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.322 -2.440 -5.499 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.881 -3.486 -6.825 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.148 -3.399 -6.430 1.00 0.00 H new ATOM 17 N GLY A 2 5.179 -7.347 -9.985 1.00 0.00 N ATOM 18 CA GLY A 2 4.360 -7.807 -11.091 1.00 0.00 C ATOM 19 C GLY A 2 5.172 -8.556 -12.124 1.00 0.00 C ATOM 20 O GLY A 2 4.632 -9.074 -13.094 1.00 0.00 O ATOM 0 H GLY A 2 5.563 -6.409 -10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.570 -8.455 -10.712 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.874 -6.953 -11.562 1.00 0.00 H new ATOM 24 N ARG A 3 6.484 -8.587 -11.918 1.00 0.00 N ATOM 25 CA ARG A 3 7.397 -9.290 -12.813 1.00 0.00 C ATOM 26 C ARG A 3 7.145 -10.795 -12.765 1.00 0.00 C ATOM 27 O ARG A 3 7.151 -11.472 -13.787 1.00 0.00 O ATOM 28 CB ARG A 3 8.848 -8.992 -12.421 1.00 0.00 C ATOM 29 CG ARG A 3 9.884 -9.617 -13.345 1.00 0.00 C ATOM 30 CD ARG A 3 11.296 -9.311 -12.876 1.00 0.00 C ATOM 31 NE ARG A 3 11.578 -7.877 -12.903 1.00 0.00 N ATOM 32 CZ ARG A 3 12.733 -7.323 -12.532 1.00 0.00 C ATOM 33 NH1 ARG A 3 13.748 -8.088 -12.132 1.00 0.00 N ATOM 34 NH2 ARG A 3 12.872 -6.004 -12.570 1.00 0.00 N ATOM 0 H ARG A 3 6.943 -8.129 -11.131 1.00 0.00 H new ATOM 0 HA ARG A 3 7.221 -8.940 -13.830 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.994 -7.912 -12.407 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.019 -9.350 -11.406 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.737 -10.696 -13.383 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.745 -9.240 -14.358 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.433 -9.689 -11.863 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.011 -9.834 -13.511 1.00 0.00 H new ATOM 0 HE ARG A 3 10.838 -7.255 -13.229 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.644 -9.102 -12.109 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.629 -7.659 -11.849 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.097 -5.418 -12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.753 -5.576 -12.287 1.00 0.00 H new ATOM 48 N LEU A 4 6.928 -11.300 -11.566 1.00 0.00 N ATOM 49 CA LEU A 4 6.696 -12.719 -11.360 1.00 0.00 C ATOM 50 C LEU A 4 5.204 -12.990 -11.241 1.00 0.00 C ATOM 51 O LEU A 4 4.451 -12.122 -10.799 1.00 0.00 O ATOM 52 CB LEU A 4 7.404 -13.187 -10.083 1.00 0.00 C ATOM 53 CG LEU A 4 8.909 -12.902 -10.006 1.00 0.00 C ATOM 54 CD1 LEU A 4 9.483 -13.409 -8.694 1.00 0.00 C ATOM 55 CD2 LEU A 4 9.641 -13.518 -11.186 1.00 0.00 C ATOM 0 H LEU A 4 6.907 -10.744 -10.711 1.00 0.00 H new ATOM 0 HA LEU A 4 7.095 -13.267 -12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.920 -12.713 -9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.252 -14.261 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 4 9.051 -11.822 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.552 -13.197 -8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.986 -12.909 -7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.323 -14.485 -8.619 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.706 -13.301 -11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.490 -14.597 -11.185 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.253 -13.098 -12.114 1.00 0.00 H new ATOM 67 N TYR A 5 4.777 -14.179 -11.633 1.00 0.00 N ATOM 68 CA TYR A 5 3.370 -14.562 -11.533 1.00 0.00 C ATOM 69 C TYR A 5 3.156 -15.562 -10.399 1.00 0.00 C ATOM 70 O TYR A 5 3.906 -16.533 -10.266 1.00 0.00 O ATOM 71 CB TYR A 5 2.842 -15.103 -12.873 1.00 0.00 C ATOM 72 CG TYR A 5 3.677 -16.204 -13.494 1.00 0.00 C ATOM 73 CD1 TYR A 5 4.746 -15.898 -14.323 1.00 0.00 C ATOM 74 CD2 TYR A 5 3.388 -17.543 -13.267 1.00 0.00 C ATOM 75 CE1 TYR A 5 5.505 -16.891 -14.905 1.00 0.00 C ATOM 76 CE2 TYR A 5 4.139 -18.543 -13.849 1.00 0.00 C ATOM 77 CZ TYR A 5 5.199 -18.210 -14.666 1.00 0.00 C ATOM 78 OH TYR A 5 5.948 -19.204 -15.257 1.00 0.00 O ATOM 0 H TYR A 5 5.383 -14.900 -12.025 1.00 0.00 H new ATOM 0 HA TYR A 5 2.794 -13.667 -11.297 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.829 -15.477 -12.723 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.775 -14.276 -13.580 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.988 -14.863 -14.516 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.561 -17.806 -12.624 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.336 -16.634 -15.545 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.898 -19.580 -13.666 1.00 0.00 H new ATOM 0 HH TYR A 5 5.602 -20.080 -14.985 1.00 0.00 H new ATOM 88 N SER A 6 2.133 -15.322 -9.584 1.00 0.00 N ATOM 89 CA SER A 6 1.888 -16.132 -8.394 1.00 0.00 C ATOM 90 C SER A 6 0.392 -16.148 -8.060 1.00 0.00 C ATOM 91 O SER A 6 -0.339 -15.254 -8.470 1.00 0.00 O ATOM 92 CB SER A 6 2.650 -15.527 -7.205 1.00 0.00 C ATOM 93 OG SER A 6 3.956 -15.093 -7.576 1.00 0.00 O ATOM 0 H SER A 6 1.458 -14.571 -9.726 1.00 0.00 H new ATOM 0 HA SER A 6 2.227 -17.150 -8.586 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.087 -14.684 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.726 -16.267 -6.408 1.00 0.00 H new ATOM 0 HG SER A 6 4.409 -14.713 -6.794 1.00 0.00 H new ATOM 99 N GLY A 7 -0.050 -17.165 -7.317 1.00 0.00 N ATOM 100 CA GLY A 7 -1.445 -17.224 -6.877 1.00 0.00 C ATOM 101 C GLY A 7 -1.614 -16.581 -5.510 1.00 0.00 C ATOM 102 O GLY A 7 -2.718 -16.224 -5.096 1.00 0.00 O ATOM 0 H GLY A 7 0.528 -17.948 -7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.080 -16.716 -7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.774 -18.263 -6.837 1.00 0.00 H new ATOM 106 N ASN A 8 -0.501 -16.466 -4.824 1.00 0.00 N ATOM 107 CA ASN A 8 -0.461 -15.819 -3.515 1.00 0.00 C ATOM 108 C ASN A 8 -0.520 -14.304 -3.679 1.00 0.00 C ATOM 109 O ASN A 8 -1.578 -13.696 -3.531 1.00 0.00 O ATOM 110 CB ASN A 8 0.762 -16.245 -2.691 1.00 0.00 C ATOM 111 CG ASN A 8 0.584 -17.610 -2.045 1.00 0.00 C ATOM 112 OD1 ASN A 8 -0.535 -18.030 -1.754 1.00 0.00 O ATOM 113 ND2 ASN A 8 1.682 -18.301 -1.811 1.00 0.00 N ATOM 0 H ASN A 8 0.402 -16.813 -5.147 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.337 -16.146 -2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.641 -16.264 -3.335 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.950 -15.502 -1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.622 -19.220 -1.373 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.591 -17.916 -2.068 1.00 0.00 H new ATOM 120 N LEU A 9 0.617 -13.699 -3.991 1.00 0.00 N ATOM 121 CA LEU A 9 0.710 -12.250 -4.264 1.00 0.00 C ATOM 122 C LEU A 9 -0.120 -11.781 -5.480 1.00 0.00 C ATOM 123 O LEU A 9 0.033 -10.646 -5.905 1.00 0.00 O ATOM 124 CB LEU A 9 2.172 -11.846 -4.476 1.00 0.00 C ATOM 125 CG LEU A 9 3.090 -11.966 -3.263 1.00 0.00 C ATOM 126 CD1 LEU A 9 4.529 -11.687 -3.669 1.00 0.00 C ATOM 127 CD2 LEU A 9 2.652 -11.009 -2.167 1.00 0.00 C ATOM 0 H LEU A 9 1.509 -14.189 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 9 0.290 -11.760 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.583 -12.459 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.195 -10.812 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 9 3.026 -12.983 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.177 -11.775 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.840 -12.407 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.603 -10.678 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.318 -11.108 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.691 -9.986 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.632 -11.246 -1.864 1.00 0.00 H new ATOM 139 N ALA A 10 -0.986 -12.634 -6.024 1.00 0.00 N ATOM 140 CA ALA A 10 -1.744 -12.302 -7.244 1.00 0.00 C ATOM 141 C ALA A 10 -2.498 -10.966 -7.123 1.00 0.00 C ATOM 142 O ALA A 10 -2.352 -10.088 -7.974 1.00 0.00 O ATOM 143 CB ALA A 10 -2.723 -13.419 -7.572 1.00 0.00 C ATOM 0 H ALA A 10 -1.185 -13.560 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.020 -12.195 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.278 -13.163 -8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.175 -14.347 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.419 -13.548 -6.743 1.00 0.00 H new ATOM 149 N ALA A 11 -3.286 -10.809 -6.067 1.00 0.00 N ATOM 150 CA ALA A 11 -4.038 -9.562 -5.852 1.00 0.00 C ATOM 151 C ALA A 11 -3.090 -8.403 -5.537 1.00 0.00 C ATOM 152 O ALA A 11 -3.279 -7.280 -5.995 1.00 0.00 O ATOM 153 CB ALA A 11 -5.049 -9.745 -4.729 1.00 0.00 C ATOM 0 H ALA A 11 -3.426 -11.518 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.574 -9.320 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.599 -8.816 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.746 -10.541 -4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.527 -10.010 -3.809 1.00 0.00 H new ATOM 159 N PHE A 12 -2.072 -8.718 -4.767 1.00 0.00 N ATOM 160 CA PHE A 12 -1.056 -7.750 -4.343 1.00 0.00 C ATOM 161 C PHE A 12 -0.396 -7.066 -5.557 1.00 0.00 C ATOM 162 O PHE A 12 -0.201 -5.850 -5.568 1.00 0.00 O ATOM 163 CB PHE A 12 0.006 -8.455 -3.482 1.00 0.00 C ATOM 164 CG PHE A 12 1.013 -7.530 -2.854 1.00 0.00 C ATOM 165 CD1 PHE A 12 0.770 -6.968 -1.610 1.00 0.00 C ATOM 166 CD2 PHE A 12 2.199 -7.224 -3.504 1.00 0.00 C ATOM 167 CE1 PHE A 12 1.690 -6.120 -1.028 1.00 0.00 C ATOM 168 CE2 PHE A 12 3.120 -6.375 -2.925 1.00 0.00 C ATOM 169 CZ PHE A 12 2.866 -5.822 -1.686 1.00 0.00 C ATOM 0 H PHE A 12 -1.915 -9.660 -4.408 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.544 -6.976 -3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.497 -9.014 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.534 -9.181 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.149 -7.196 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.404 -7.654 -4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.490 -5.690 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.040 -6.143 -3.441 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.586 -5.157 -1.232 1.00 0.00 H new ATOM 179 N LYS A 13 -0.072 -7.859 -6.575 1.00 0.00 N ATOM 180 CA LYS A 13 0.593 -7.375 -7.799 1.00 0.00 C ATOM 181 C LYS A 13 -0.178 -6.231 -8.486 1.00 0.00 C ATOM 182 O LYS A 13 0.434 -5.318 -9.051 1.00 0.00 O ATOM 183 CB LYS A 13 0.716 -8.536 -8.790 1.00 0.00 C ATOM 184 CG LYS A 13 1.513 -9.714 -8.269 1.00 0.00 C ATOM 185 CD LYS A 13 1.486 -10.873 -9.249 1.00 0.00 C ATOM 186 CE LYS A 13 2.077 -12.129 -8.635 1.00 0.00 C ATOM 187 NZ LYS A 13 3.522 -11.988 -8.341 1.00 0.00 N ATOM 0 H LYS A 13 -0.261 -8.861 -6.582 1.00 0.00 H new ATOM 0 HA LYS A 13 1.569 -6.989 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.284 -8.878 -9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.184 -8.171 -9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.544 -9.409 -8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.106 -10.036 -7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.459 -11.066 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.045 -10.607 -10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.543 -12.366 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.928 -12.968 -9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.879 -12.871 -7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.038 -11.788 -9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.665 -11.206 -7.671 1.00 0.00 H new ATOM 201 N ALA A 14 -1.507 -6.282 -8.431 1.00 0.00 N ATOM 202 CA ALA A 14 -2.365 -5.310 -9.133 1.00 0.00 C ATOM 203 C ALA A 14 -2.096 -3.853 -8.716 1.00 0.00 C ATOM 204 O ALA A 14 -2.286 -2.926 -9.513 1.00 0.00 O ATOM 205 CB ALA A 14 -3.832 -5.652 -8.920 1.00 0.00 C ATOM 0 H ALA A 14 -2.023 -6.988 -7.906 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.117 -5.385 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.454 -4.926 -9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.033 -6.650 -9.309 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.061 -5.625 -7.855 1.00 0.00 H new ATOM 211 N ALA A 15 -1.656 -3.660 -7.483 1.00 0.00 N ATOM 212 CA ALA A 15 -1.392 -2.319 -6.943 1.00 0.00 C ATOM 213 C ALA A 15 -0.200 -1.629 -7.630 1.00 0.00 C ATOM 214 O ALA A 15 -0.116 -0.400 -7.655 1.00 0.00 O ATOM 215 CB ALA A 15 -1.166 -2.391 -5.440 1.00 0.00 C ATOM 0 H ALA A 15 -1.470 -4.417 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.274 -1.712 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.972 -1.391 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.054 -2.800 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.311 -3.033 -5.231 1.00 0.00 H new ATOM 221 N THR A 16 0.688 -2.427 -8.207 1.00 0.00 N ATOM 222 CA THR A 16 1.936 -1.923 -8.804 1.00 0.00 C ATOM 223 C THR A 16 1.682 -0.860 -9.893 1.00 0.00 C ATOM 224 O THR A 16 2.307 0.200 -9.895 1.00 0.00 O ATOM 225 CB THR A 16 2.739 -3.083 -9.434 1.00 0.00 C ATOM 226 OG1 THR A 16 2.844 -4.167 -8.501 1.00 0.00 O ATOM 227 CG2 THR A 16 4.138 -2.627 -9.836 1.00 0.00 C ATOM 0 H THR A 16 0.573 -3.438 -8.279 1.00 0.00 H new ATOM 0 HA THR A 16 2.500 -1.461 -7.994 1.00 0.00 H new ATOM 0 HB THR A 16 2.210 -3.413 -10.328 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.099 -4.789 -8.637 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.681 -3.463 -10.276 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.062 -1.820 -10.564 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.672 -2.272 -8.955 1.00 0.00 H new ATOM 235 N ASN A 17 0.760 -1.144 -10.795 1.00 0.00 N ATOM 236 CA ASN A 17 0.460 -0.243 -11.914 1.00 0.00 C ATOM 237 C ASN A 17 -0.173 1.072 -11.429 1.00 0.00 C ATOM 238 O ASN A 17 0.101 2.147 -11.969 1.00 0.00 O ATOM 239 CB ASN A 17 -0.463 -0.956 -12.919 1.00 0.00 C ATOM 240 CG ASN A 17 -0.642 -0.219 -14.250 1.00 0.00 C ATOM 241 OD1 ASN A 17 -0.628 1.005 -14.319 1.00 0.00 O ATOM 242 ND2 ASN A 17 -0.804 -0.978 -15.318 1.00 0.00 N ATOM 0 H ASN A 17 0.198 -1.995 -10.781 1.00 0.00 H new ATOM 0 HA ASN A 17 1.397 0.015 -12.408 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.062 -1.950 -13.119 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.442 -1.094 -12.460 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.922 -0.549 -16.236 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.811 -1.994 -15.226 1.00 0.00 H new ATOM 249 N LYS A 18 -0.979 0.983 -10.380 1.00 0.00 N ATOM 250 CA LYS A 18 -1.754 2.123 -9.894 1.00 0.00 C ATOM 251 C LYS A 18 -0.872 3.186 -9.229 1.00 0.00 C ATOM 252 O LYS A 18 -1.131 4.384 -9.351 1.00 0.00 O ATOM 253 CB LYS A 18 -2.862 1.662 -8.947 1.00 0.00 C ATOM 254 CG LYS A 18 -3.868 0.712 -9.593 1.00 0.00 C ATOM 255 CD LYS A 18 -4.517 1.327 -10.832 1.00 0.00 C ATOM 256 CE LYS A 18 -5.439 2.488 -10.477 1.00 0.00 C ATOM 257 NZ LYS A 18 -6.021 3.117 -11.690 1.00 0.00 N ATOM 0 H LYS A 18 -1.116 0.126 -9.843 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.214 2.592 -10.764 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.410 1.168 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.392 2.536 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.366 -0.216 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.641 0.454 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.740 1.676 -11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.085 0.562 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.241 2.131 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.882 3.235 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.801 3.747 -11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.288 3.668 -12.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.382 2.377 -12.325 1.00 0.00 H new ATOM 271 N LEU A 19 0.170 2.729 -8.540 1.00 0.00 N ATOM 272 CA LEU A 19 1.060 3.599 -7.749 1.00 0.00 C ATOM 273 C LEU A 19 1.644 4.745 -8.585 1.00 0.00 C ATOM 274 O LEU A 19 1.798 5.870 -8.093 1.00 0.00 O ATOM 275 CB LEU A 19 2.210 2.766 -7.164 1.00 0.00 C ATOM 276 CG LEU A 19 1.830 1.721 -6.111 1.00 0.00 C ATOM 277 CD1 LEU A 19 3.011 0.809 -5.821 1.00 0.00 C ATOM 278 CD2 LEU A 19 1.366 2.395 -4.830 1.00 0.00 C ATOM 0 H LEU A 19 0.429 1.743 -8.509 1.00 0.00 H new ATOM 0 HA LEU A 19 0.461 4.038 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.713 2.256 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.935 3.449 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 19 1.009 1.122 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.726 0.072 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.310 0.298 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.846 1.402 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.101 1.635 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.169 3.018 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.495 3.016 -5.040 1.00 0.00 H new ATOM 290 N PHE A 20 1.958 4.462 -9.843 1.00 0.00 N ATOM 291 CA PHE A 20 2.548 5.464 -10.734 1.00 0.00 C ATOM 292 C PHE A 20 1.609 6.657 -10.919 1.00 0.00 C ATOM 293 O PHE A 20 2.053 7.803 -11.029 1.00 0.00 O ATOM 294 CB PHE A 20 2.873 4.852 -12.097 1.00 0.00 C ATOM 295 CG PHE A 20 3.858 3.716 -12.044 1.00 0.00 C ATOM 296 CD1 PHE A 20 5.195 3.952 -11.767 1.00 0.00 C ATOM 297 CD2 PHE A 20 3.446 2.412 -12.269 1.00 0.00 C ATOM 298 CE1 PHE A 20 6.100 2.910 -11.716 1.00 0.00 C ATOM 299 CE2 PHE A 20 4.346 1.368 -12.224 1.00 0.00 C ATOM 300 CZ PHE A 20 5.675 1.615 -11.945 1.00 0.00 C ATOM 0 H PHE A 20 1.816 3.548 -10.273 1.00 0.00 H new ATOM 0 HA PHE A 20 3.471 5.813 -10.270 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.949 4.496 -12.552 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.269 5.632 -12.748 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.533 4.962 -11.589 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.407 2.211 -12.482 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.139 3.107 -11.497 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.011 0.358 -12.407 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.381 0.799 -11.906 1.00 0.00 H new ATOM 310 N GLN A 21 0.315 6.378 -10.923 1.00 0.00 N ATOM 311 CA GLN A 21 -0.709 7.397 -11.138 1.00 0.00 C ATOM 312 C GLN A 21 -0.926 8.251 -9.880 1.00 0.00 C ATOM 313 O GLN A 21 -1.610 9.274 -9.921 1.00 0.00 O ATOM 314 CB GLN A 21 -2.016 6.726 -11.557 1.00 0.00 C ATOM 315 CG GLN A 21 -1.922 5.994 -12.886 1.00 0.00 C ATOM 316 CD GLN A 21 -3.188 5.240 -13.233 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.904 4.762 -12.353 1.00 0.00 O ATOM 318 NE2 GLN A 21 -3.464 5.113 -14.515 1.00 0.00 N ATOM 0 H GLN A 21 -0.058 5.440 -10.778 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.370 8.063 -11.931 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.317 6.020 -10.783 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.799 7.482 -11.622 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.705 6.712 -13.676 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.086 5.295 -12.852 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.845 5.524 -15.213 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.297 4.603 -14.809 1.00 0.00 H new ATOM 327 N LEU A 22 -0.327 7.828 -8.780 1.00 0.00 N ATOM 328 CA LEU A 22 -0.468 8.569 -7.525 1.00 0.00 C ATOM 329 C LEU A 22 0.869 9.236 -7.152 1.00 0.00 C ATOM 330 O LEU A 22 0.955 10.020 -6.208 1.00 0.00 O ATOM 331 CB LEU A 22 -0.969 7.637 -6.418 1.00 0.00 C ATOM 332 CG LEU A 22 -1.398 8.308 -5.112 1.00 0.00 C ATOM 333 CD1 LEU A 22 -2.468 9.356 -5.380 1.00 0.00 C ATOM 334 CD2 LEU A 22 -1.922 7.264 -4.139 1.00 0.00 C ATOM 0 H LEU A 22 0.253 6.991 -8.723 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.208 9.360 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.815 7.069 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.180 6.919 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.531 8.801 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.762 9.824 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.073 10.115 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.336 8.881 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.225 7.750 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.779 6.755 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.138 6.537 -3.928 1.00 0.00 H new ATOM 346 N ASP A 23 1.883 8.899 -7.943 1.00 0.00 N ATOM 347 CA ASP A 23 3.219 9.533 -7.875 1.00 0.00 C ATOM 348 C ASP A 23 3.901 9.290 -6.520 1.00 0.00 C ATOM 349 O ASP A 23 4.436 10.222 -5.911 1.00 0.00 O ATOM 350 CB ASP A 23 3.120 11.060 -8.109 1.00 0.00 C ATOM 351 CG ASP A 23 2.577 11.446 -9.468 1.00 0.00 C ATOM 352 OD1 ASP A 23 3.292 11.270 -10.478 1.00 0.00 O ATOM 353 OD2 ASP A 23 1.439 11.963 -9.532 1.00 0.00 O ATOM 0 H ASP A 23 1.812 8.175 -8.658 1.00 0.00 H new ATOM 0 HA ASP A 23 3.819 9.074 -8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.482 11.494 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.110 11.500 -7.988 1.00 0.00 H new ATOM 358 N LEU A 24 3.912 8.048 -6.064 1.00 0.00 N ATOM 359 CA LEU A 24 4.531 7.730 -4.781 1.00 0.00 C ATOM 360 C LEU A 24 5.176 6.351 -4.779 1.00 0.00 C ATOM 361 O LEU A 24 5.014 5.580 -5.726 1.00 0.00 O ATOM 362 CB LEU A 24 3.551 7.907 -3.598 1.00 0.00 C ATOM 363 CG LEU A 24 2.123 7.357 -3.768 1.00 0.00 C ATOM 364 CD1 LEU A 24 2.114 5.840 -3.875 1.00 0.00 C ATOM 365 CD2 LEU A 24 1.257 7.812 -2.604 1.00 0.00 C ATOM 0 H LEU A 24 3.506 7.251 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 24 5.333 8.455 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.992 7.432 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.477 8.972 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 24 1.716 7.751 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.089 5.490 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.705 5.533 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.542 5.409 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.247 7.421 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.678 7.440 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.224 8.901 -2.579 1.00 0.00 H new ATOM 377 N ALA A 25 5.914 6.057 -3.716 1.00 0.00 N ATOM 378 CA ALA A 25 6.620 4.792 -3.587 1.00 0.00 C ATOM 379 C ALA A 25 6.157 4.029 -2.347 1.00 0.00 C ATOM 380 O ALA A 25 5.292 4.501 -1.607 1.00 0.00 O ATOM 381 CB ALA A 25 8.123 5.038 -3.528 1.00 0.00 C ATOM 0 H ALA A 25 6.039 6.687 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 25 6.393 4.182 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.644 4.086 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.446 5.537 -4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.355 5.667 -2.669 1.00 0.00 H new ATOM 387 N VAL A 26 6.751 2.863 -2.117 1.00 0.00 N ATOM 388 CA VAL A 26 6.397 2.023 -0.983 1.00 0.00 C ATOM 389 C VAL A 26 7.616 1.211 -0.517 1.00 0.00 C ATOM 390 O VAL A 26 8.432 0.778 -1.341 1.00 0.00 O ATOM 391 CB VAL A 26 5.167 1.090 -1.284 1.00 0.00 C ATOM 392 CG1 VAL A 26 5.360 0.274 -2.549 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.870 0.175 -0.106 1.00 0.00 C ATOM 0 H VAL A 26 7.487 2.477 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 26 6.088 2.683 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 26 4.311 1.745 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.485 -0.354 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.491 0.945 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.244 -0.356 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.015 -0.458 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.739 -0.451 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.643 0.777 0.774 1.00 0.00 H new ATOM 403 N ILE A 27 7.739 1.027 0.792 1.00 0.00 N ATOM 404 CA ILE A 27 8.862 0.288 1.374 1.00 0.00 C ATOM 405 C ILE A 27 8.392 -0.620 2.508 1.00 0.00 C ATOM 406 O ILE A 27 7.570 -0.227 3.337 1.00 0.00 O ATOM 407 CB ILE A 27 10.007 1.224 1.873 1.00 0.00 C ATOM 408 CG1 ILE A 27 9.460 2.328 2.783 1.00 0.00 C ATOM 409 CG2 ILE A 27 10.773 1.823 0.695 1.00 0.00 C ATOM 410 CD1 ILE A 27 10.527 3.218 3.383 1.00 0.00 C ATOM 0 H ILE A 27 7.072 1.381 1.478 1.00 0.00 H new ATOM 0 HA ILE A 27 9.273 -0.326 0.572 1.00 0.00 H new ATOM 0 HB ILE A 27 10.701 0.620 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.766 2.945 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.888 1.869 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.566 2.471 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.210 1.021 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.091 2.404 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.058 3.973 4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.208 2.615 3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.084 3.707 2.584 1.00 0.00 H new ATOM 422 N TYR A 28 8.902 -1.833 2.528 1.00 0.00 N ATOM 423 CA TYR A 28 8.529 -2.816 3.537 1.00 0.00 C ATOM 424 C TYR A 28 9.719 -3.192 4.405 1.00 0.00 C ATOM 425 O TYR A 28 10.874 -3.119 3.968 1.00 0.00 O ATOM 426 CB TYR A 28 7.960 -4.077 2.864 1.00 0.00 C ATOM 427 CG TYR A 28 8.901 -4.705 1.846 1.00 0.00 C ATOM 428 CD1 TYR A 28 8.887 -4.302 0.516 1.00 0.00 C ATOM 429 CD2 TYR A 28 9.814 -5.689 2.222 1.00 0.00 C ATOM 430 CE1 TYR A 28 9.748 -4.856 -0.410 1.00 0.00 C ATOM 431 CE2 TYR A 28 10.681 -6.246 1.300 1.00 0.00 C ATOM 432 CZ TYR A 28 10.645 -5.826 -0.013 1.00 0.00 C ATOM 433 OH TYR A 28 11.512 -6.376 -0.935 1.00 0.00 O ATOM 0 H TYR A 28 9.585 -2.170 1.850 1.00 0.00 H new ATOM 0 HA TYR A 28 7.766 -2.369 4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.726 -4.814 3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.022 -3.823 2.370 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.189 -3.541 0.201 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.845 -6.021 3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.720 -4.532 -1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.383 -7.007 1.607 1.00 0.00 H new ATOM 0 HH TYR A 28 12.078 -7.043 -0.494 1.00 0.00 H new ATOM 443 N ASP A 29 9.433 -3.590 5.630 1.00 0.00 N ATOM 444 CA ASP A 29 10.467 -4.016 6.559 1.00 0.00 C ATOM 445 C ASP A 29 10.169 -5.386 7.123 1.00 0.00 C ATOM 446 O ASP A 29 9.073 -5.633 7.643 1.00 0.00 O ATOM 447 CB ASP A 29 10.647 -3.019 7.710 1.00 0.00 C ATOM 448 CG ASP A 29 11.414 -1.782 7.311 1.00 0.00 C ATOM 449 OD1 ASP A 29 12.432 -1.910 6.596 1.00 0.00 O ATOM 450 OD2 ASP A 29 11.020 -0.677 7.727 1.00 0.00 O ATOM 0 H ASP A 29 8.487 -3.628 6.009 1.00 0.00 H new ATOM 0 HA ASP A 29 11.396 -4.059 5.990 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.666 -2.725 8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.167 -3.512 8.531 1.00 0.00 H new ATOM 455 N ASP A 30 11.144 -6.270 7.013 1.00 0.00 N ATOM 456 CA ASP A 30 11.054 -7.614 7.561 1.00 0.00 C ATOM 457 C ASP A 30 12.464 -8.184 7.711 1.00 0.00 C ATOM 458 O ASP A 30 13.276 -8.099 6.778 1.00 0.00 O ATOM 459 CB ASP A 30 10.177 -8.539 6.679 1.00 0.00 C ATOM 460 CG ASP A 30 10.924 -9.163 5.510 1.00 0.00 C ATOM 461 OD1 ASP A 30 11.079 -8.499 4.467 1.00 0.00 O ATOM 462 OD2 ASP A 30 11.361 -10.332 5.634 1.00 0.00 O ATOM 0 H ASP A 30 12.026 -6.076 6.539 1.00 0.00 H new ATOM 0 HA ASP A 30 10.572 -7.562 8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.765 -9.334 7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.334 -7.966 6.294 1.00 0.00 H new ATOM 467 N TRP A 31 12.780 -8.710 8.883 1.00 0.00 N ATOM 468 CA TRP A 31 14.113 -9.267 9.122 1.00 0.00 C ATOM 469 C TRP A 31 14.118 -10.168 10.367 1.00 0.00 C ATOM 470 O TRP A 31 15.155 -10.688 10.768 1.00 0.00 O ATOM 471 CB TRP A 31 15.131 -8.116 9.282 1.00 0.00 C ATOM 472 CG TRP A 31 16.564 -8.525 9.089 1.00 0.00 C ATOM 473 CD1 TRP A 31 17.194 -8.755 7.900 1.00 0.00 C ATOM 474 CD2 TRP A 31 17.549 -8.740 10.110 1.00 0.00 C ATOM 475 NE1 TRP A 31 18.503 -9.107 8.118 1.00 0.00 N ATOM 476 CE2 TRP A 31 18.746 -9.103 9.466 1.00 0.00 C ATOM 477 CE3 TRP A 31 17.533 -8.661 11.506 1.00 0.00 C ATOM 478 CZ2 TRP A 31 19.911 -9.388 10.168 1.00 0.00 C ATOM 479 CZ3 TRP A 31 18.692 -8.943 12.200 1.00 0.00 C ATOM 480 CH2 TRP A 31 19.865 -9.301 11.532 1.00 0.00 C ATOM 0 H TRP A 31 12.144 -8.766 9.679 1.00 0.00 H new ATOM 0 HA TRP A 31 14.396 -9.881 8.267 1.00 0.00 H new ATOM 0 HB2 TRP A 31 14.890 -7.331 8.565 1.00 0.00 H new ATOM 0 HB3 TRP A 31 15.020 -7.684 10.277 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.730 -8.672 6.928 1.00 0.00 H new ATOM 0 HE1 TRP A 31 19.184 -9.335 7.394 1.00 0.00 H new ATOM 0 HE3 TRP A 31 16.631 -8.385 12.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 20.819 -9.668 9.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 18.692 -8.886 13.278 1.00 0.00 H new ATOM 0 HH2 TRP A 31 20.755 -9.514 12.105 1.00 0.00 H new ATOM 491 N TYR A 32 12.955 -10.362 10.961 1.00 0.00 N ATOM 492 CA TYR A 32 12.853 -11.140 12.184 1.00 0.00 C ATOM 493 C TYR A 32 12.620 -12.615 11.896 1.00 0.00 C ATOM 494 O TYR A 32 12.137 -12.983 10.822 1.00 0.00 O ATOM 495 CB TYR A 32 11.741 -10.593 13.076 1.00 0.00 C ATOM 496 CG TYR A 32 11.985 -9.179 13.554 1.00 0.00 C ATOM 497 CD1 TYR A 32 12.728 -8.934 14.701 1.00 0.00 C ATOM 498 CD2 TYR A 32 11.476 -8.090 12.857 1.00 0.00 C ATOM 499 CE1 TYR A 32 12.956 -7.645 15.142 1.00 0.00 C ATOM 500 CE2 TYR A 32 11.699 -6.798 13.291 1.00 0.00 C ATOM 501 CZ TYR A 32 12.439 -6.581 14.434 1.00 0.00 C ATOM 502 OH TYR A 32 12.662 -5.292 14.871 1.00 0.00 O ATOM 0 H TYR A 32 12.068 -9.993 10.618 1.00 0.00 H new ATOM 0 HA TYR A 32 13.805 -11.051 12.708 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.799 -10.624 12.528 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.628 -11.245 13.942 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.135 -9.765 15.258 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.896 -8.257 11.961 1.00 0.00 H new ATOM 0 HE1 TYR A 32 13.536 -7.472 16.036 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.296 -5.962 12.738 1.00 0.00 H new ATOM 0 HH TYR A 32 12.231 -4.660 14.259 1.00 0.00 H new ATOM 512 N ASP A 33 12.969 -13.454 12.865 1.00 0.00 N ATOM 513 CA ASP A 33 12.802 -14.897 12.740 1.00 0.00 C ATOM 514 C ASP A 33 11.376 -15.325 13.115 1.00 0.00 C ATOM 515 O ASP A 33 10.453 -14.497 13.135 1.00 0.00 O ATOM 516 CB ASP A 33 13.842 -15.641 13.610 1.00 0.00 C ATOM 517 CG ASP A 33 13.702 -15.353 15.093 1.00 0.00 C ATOM 518 OD1 ASP A 33 14.195 -14.293 15.546 1.00 0.00 O ATOM 519 OD2 ASP A 33 13.106 -16.180 15.812 1.00 0.00 O ATOM 0 H ASP A 33 13.373 -13.156 13.753 1.00 0.00 H new ATOM 0 HA ASP A 33 12.968 -15.166 11.697 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.743 -16.714 13.445 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.844 -15.360 13.286 1.00 0.00 H new ATOM 524 N ALA A 34 11.220 -16.597 13.469 1.00 0.00 N ATOM 525 CA ALA A 34 9.910 -17.177 13.749 1.00 0.00 C ATOM 526 C ALA A 34 10.037 -18.637 14.156 1.00 0.00 C ATOM 527 O ALA A 34 9.789 -19.535 13.355 1.00 0.00 O ATOM 528 CB ALA A 34 8.984 -17.053 12.538 1.00 0.00 C ATOM 0 H ALA A 34 11.995 -17.253 13.570 1.00 0.00 H new ATOM 0 HA ALA A 34 9.475 -16.619 14.578 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.015 -17.493 12.774 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.853 -16.001 12.286 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.423 -17.577 11.689 1.00 0.00 H new ATOM 534 N TYR A 35 10.467 -18.871 15.382 1.00 0.00 N ATOM 535 CA TYR A 35 10.608 -20.226 15.883 1.00 0.00 C ATOM 536 C TYR A 35 9.238 -20.888 16.047 1.00 0.00 C ATOM 537 O TYR A 35 9.034 -22.028 15.627 1.00 0.00 O ATOM 538 CB TYR A 35 11.387 -20.249 17.206 1.00 0.00 C ATOM 539 CG TYR A 35 11.615 -21.645 17.760 1.00 0.00 C ATOM 540 CD1 TYR A 35 12.492 -22.522 17.132 1.00 0.00 C ATOM 541 CD2 TYR A 35 10.966 -22.080 18.908 1.00 0.00 C ATOM 542 CE1 TYR A 35 12.712 -23.792 17.630 1.00 0.00 C ATOM 543 CE2 TYR A 35 11.183 -23.350 19.413 1.00 0.00 C ATOM 544 CZ TYR A 35 12.056 -24.199 18.769 1.00 0.00 C ATOM 545 OH TYR A 35 12.281 -25.465 19.269 1.00 0.00 O ATOM 0 H TYR A 35 10.724 -18.143 16.048 1.00 0.00 H new ATOM 0 HA TYR A 35 11.178 -20.797 15.150 1.00 0.00 H new ATOM 0 HB2 TYR A 35 12.352 -19.766 17.057 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.846 -19.659 17.946 1.00 0.00 H new ATOM 0 HD1 TYR A 35 13.010 -22.205 16.239 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.281 -21.417 19.415 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.395 -24.461 17.128 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.671 -23.674 20.307 1.00 0.00 H new ATOM 0 HH TYR A 35 11.743 -25.598 20.077 1.00 0.00 H new ATOM 555 N THR A 36 8.301 -20.173 16.664 1.00 0.00 N ATOM 556 CA THR A 36 6.955 -20.678 16.868 1.00 0.00 C ATOM 557 C THR A 36 5.940 -19.974 15.961 1.00 0.00 C ATOM 558 O THR A 36 4.751 -19.914 16.283 1.00 0.00 O ATOM 559 CB THR A 36 6.541 -20.488 18.336 1.00 0.00 C ATOM 560 OG1 THR A 36 6.904 -19.167 18.771 1.00 0.00 O ATOM 561 CG2 THR A 36 7.217 -21.519 19.226 1.00 0.00 C ATOM 0 H THR A 36 8.456 -19.235 17.033 1.00 0.00 H new ATOM 0 HA THR A 36 6.960 -21.738 16.614 1.00 0.00 H new ATOM 0 HB THR A 36 5.462 -20.619 18.411 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.638 -19.046 19.706 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.909 -21.365 20.260 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.928 -22.520 18.907 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.299 -21.412 19.150 1.00 0.00 H new ATOM 569 N ARG A 37 6.422 -19.452 14.823 1.00 0.00 N ATOM 570 CA ARG A 37 5.579 -18.731 13.841 1.00 0.00 C ATOM 571 C ARG A 37 5.099 -17.390 14.403 1.00 0.00 C ATOM 572 O ARG A 37 4.100 -17.327 15.121 1.00 0.00 O ATOM 573 CB ARG A 37 4.354 -19.569 13.415 1.00 0.00 C ATOM 574 CG ARG A 37 4.689 -20.923 12.811 1.00 0.00 C ATOM 575 CD ARG A 37 3.424 -21.689 12.440 1.00 0.00 C ATOM 576 NE ARG A 37 2.590 -21.973 13.615 1.00 0.00 N ATOM 577 CZ ARG A 37 1.410 -22.602 13.570 1.00 0.00 C ATOM 578 NH1 ARG A 37 0.946 -23.073 12.418 1.00 0.00 N ATOM 579 NH2 ARG A 37 0.698 -22.761 14.684 1.00 0.00 N ATOM 0 H ARG A 37 7.404 -19.514 14.553 1.00 0.00 H new ATOM 0 HA ARG A 37 6.203 -18.553 12.966 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.716 -19.723 14.285 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.774 -18.997 12.691 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.307 -20.786 11.924 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.275 -21.506 13.521 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.848 -21.110 11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.696 -22.626 11.954 1.00 0.00 H new ATOM 0 HE ARG A 37 2.933 -21.670 14.527 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.490 -22.956 11.563 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.046 -23.552 12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.052 -22.403 15.571 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.202 -23.240 14.650 1.00 0.00 H new ATOM 593 N LYS A 38 5.827 -16.326 14.106 1.00 0.00 N ATOM 594 CA LYS A 38 5.443 -14.998 14.569 1.00 0.00 C ATOM 595 C LYS A 38 4.787 -14.211 13.434 1.00 0.00 C ATOM 596 O LYS A 38 3.628 -13.811 13.538 1.00 0.00 O ATOM 597 CB LYS A 38 6.661 -14.247 15.118 1.00 0.00 C ATOM 598 CG LYS A 38 6.328 -12.921 15.800 1.00 0.00 C ATOM 599 CD LYS A 38 5.388 -13.117 16.988 1.00 0.00 C ATOM 600 CE LYS A 38 6.024 -13.975 18.074 1.00 0.00 C ATOM 601 NZ LYS A 38 5.106 -14.180 19.224 1.00 0.00 N ATOM 0 H LYS A 38 6.682 -16.353 13.550 1.00 0.00 H new ATOM 0 HA LYS A 38 4.719 -15.106 15.377 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.178 -14.889 15.831 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.355 -14.057 14.299 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.248 -12.445 16.139 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.867 -12.246 15.079 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.118 -12.146 17.403 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.465 -13.586 16.648 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.304 -14.942 17.656 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.942 -13.500 18.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.575 -14.769 19.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.859 -13.259 19.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.241 -14.656 18.897 1.00 0.00 H new ATOM 615 N ASP A 39 5.553 -14.008 12.352 1.00 0.00 N ATOM 616 CA ASP A 39 5.077 -13.320 11.134 1.00 0.00 C ATOM 617 C ASP A 39 4.757 -11.842 11.364 1.00 0.00 C ATOM 618 O ASP A 39 3.654 -11.479 11.788 1.00 0.00 O ATOM 619 CB ASP A 39 3.887 -14.050 10.497 1.00 0.00 C ATOM 620 CG ASP A 39 4.284 -15.380 9.889 1.00 0.00 C ATOM 621 OD1 ASP A 39 4.855 -15.386 8.786 1.00 0.00 O ATOM 622 OD2 ASP A 39 4.034 -16.431 10.515 1.00 0.00 O ATOM 0 H ASP A 39 6.524 -14.316 12.293 1.00 0.00 H new ATOM 0 HA ASP A 39 5.909 -13.351 10.431 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.118 -14.214 11.252 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.447 -13.418 9.726 1.00 0.00 H new ATOM 627 N CYS A 40 5.736 -10.994 11.081 1.00 0.00 N ATOM 628 CA CYS A 40 5.584 -9.555 11.218 1.00 0.00 C ATOM 629 C CYS A 40 6.114 -8.832 9.972 1.00 0.00 C ATOM 630 O CYS A 40 7.247 -9.069 9.539 1.00 0.00 O ATOM 631 CB CYS A 40 6.301 -9.061 12.482 1.00 0.00 C ATOM 632 SG CYS A 40 8.014 -9.627 12.642 1.00 0.00 S ATOM 0 H CYS A 40 6.656 -11.285 10.751 1.00 0.00 H new ATOM 0 HA CYS A 40 4.522 -9.327 11.313 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.289 -7.971 12.489 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.739 -9.391 13.356 1.00 0.00 H new ATOM 0 HG CYS A 40 8.807 -8.599 12.705 1.00 0.00 H new ATOM 638 N ILE A 41 5.289 -7.955 9.409 1.00 0.00 N ATOM 639 CA ILE A 41 5.635 -7.205 8.197 1.00 0.00 C ATOM 640 C ILE A 41 5.205 -5.740 8.351 1.00 0.00 C ATOM 641 O ILE A 41 4.055 -5.463 8.673 1.00 0.00 O ATOM 642 CB ILE A 41 4.940 -7.809 6.937 1.00 0.00 C ATOM 643 CG1 ILE A 41 5.413 -9.248 6.692 1.00 0.00 C ATOM 644 CG2 ILE A 41 5.196 -6.945 5.700 1.00 0.00 C ATOM 645 CD1 ILE A 41 4.668 -9.959 5.580 1.00 0.00 C ATOM 0 H ILE A 41 4.362 -7.741 9.776 1.00 0.00 H new ATOM 0 HA ILE A 41 6.715 -7.268 8.063 1.00 0.00 H new ATOM 0 HB ILE A 41 3.866 -7.825 7.124 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.476 -9.235 6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.301 -9.819 7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.700 -7.389 4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.802 -5.943 5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.268 -6.887 5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.060 -10.970 5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.607 -10.006 5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.801 -9.413 4.646 1.00 0.00 H new ATOM 657 N ARG A 42 6.126 -4.806 8.156 1.00 0.00 N ATOM 658 CA ARG A 42 5.779 -3.386 8.256 1.00 0.00 C ATOM 659 C ARG A 42 5.746 -2.736 6.879 1.00 0.00 C ATOM 660 O ARG A 42 6.694 -2.869 6.104 1.00 0.00 O ATOM 661 CB ARG A 42 6.775 -2.641 9.145 1.00 0.00 C ATOM 662 CG ARG A 42 6.853 -3.155 10.572 1.00 0.00 C ATOM 663 CD ARG A 42 7.866 -2.368 11.380 1.00 0.00 C ATOM 664 NE ARG A 42 7.430 -0.983 11.596 1.00 0.00 N ATOM 665 CZ ARG A 42 8.241 0.080 11.553 1.00 0.00 C ATOM 666 NH1 ARG A 42 9.509 -0.061 11.183 1.00 0.00 N ATOM 667 NH2 ARG A 42 7.772 1.286 11.863 1.00 0.00 N ATOM 0 H ARG A 42 7.103 -4.995 7.932 1.00 0.00 H new ATOM 0 HA ARG A 42 4.787 -3.323 8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.765 -2.707 8.694 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.504 -1.585 9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.872 -3.082 11.042 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.127 -4.210 10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.021 -2.855 12.343 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.826 -2.371 10.863 1.00 0.00 H new ATOM 0 HE ARG A 42 6.442 -0.820 11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.867 -0.982 10.930 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.124 0.752 11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.795 1.399 12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.390 2.097 11.831 1.00 0.00 H new ATOM 681 N LEU A 43 4.657 -2.044 6.574 1.00 0.00 N ATOM 682 CA LEU A 43 4.522 -1.345 5.300 1.00 0.00 C ATOM 683 C LEU A 43 4.578 0.177 5.538 1.00 0.00 C ATOM 684 O LEU A 43 3.672 0.752 6.146 1.00 0.00 O ATOM 685 CB LEU A 43 3.178 -1.730 4.657 1.00 0.00 C ATOM 686 CG LEU A 43 3.000 -1.374 3.178 1.00 0.00 C ATOM 687 CD1 LEU A 43 3.884 -2.261 2.311 1.00 0.00 C ATOM 688 CD2 LEU A 43 1.539 -1.507 2.768 1.00 0.00 C ATOM 0 H LEU A 43 3.851 -1.951 7.192 1.00 0.00 H new ATOM 0 HA LEU A 43 5.337 -1.627 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.043 -2.806 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.380 -1.249 5.222 1.00 0.00 H new ATOM 0 HG LEU A 43 3.302 -0.337 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.747 -1.997 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.928 -2.116 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.610 -3.305 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.432 -1.250 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.209 -2.534 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.929 -0.833 3.370 1.00 0.00 H new ATOM 700 N ARG A 44 5.652 0.813 5.084 1.00 0.00 N ATOM 701 CA ARG A 44 5.838 2.255 5.270 1.00 0.00 C ATOM 702 C ARG A 44 5.735 3.036 3.946 1.00 0.00 C ATOM 703 O ARG A 44 6.375 2.688 2.953 1.00 0.00 O ATOM 704 CB ARG A 44 7.204 2.495 5.940 1.00 0.00 C ATOM 705 CG ARG A 44 7.537 3.946 6.229 1.00 0.00 C ATOM 706 CD ARG A 44 8.899 4.068 6.906 1.00 0.00 C ATOM 707 NE ARG A 44 9.280 5.460 7.126 1.00 0.00 N ATOM 708 CZ ARG A 44 9.817 5.941 8.252 1.00 0.00 C ATOM 709 NH1 ARG A 44 10.107 5.129 9.262 1.00 0.00 N ATOM 710 NH2 ARG A 44 10.090 7.237 8.353 1.00 0.00 N ATOM 0 H ARG A 44 6.412 0.354 4.582 1.00 0.00 H new ATOM 0 HA ARG A 44 5.036 2.626 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.234 1.939 6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.982 2.081 5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.536 4.515 5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.768 4.379 6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.877 3.543 7.861 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.654 3.579 6.291 1.00 0.00 H new ATOM 0 HE ARG A 44 9.124 6.117 6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.920 4.129 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.517 5.505 10.117 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.890 7.863 7.573 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.500 7.607 9.211 1.00 0.00 H new ATOM 724 N ILE A 45 4.896 4.075 3.940 1.00 0.00 N ATOM 725 CA ILE A 45 4.731 4.942 2.766 1.00 0.00 C ATOM 726 C ILE A 45 5.355 6.325 3.020 1.00 0.00 C ATOM 727 O ILE A 45 5.051 6.970 4.032 1.00 0.00 O ATOM 728 CB ILE A 45 3.224 5.145 2.430 1.00 0.00 C ATOM 729 CG1 ILE A 45 2.521 3.800 2.208 1.00 0.00 C ATOM 730 CG2 ILE A 45 3.055 6.041 1.204 1.00 0.00 C ATOM 731 CD1 ILE A 45 3.064 3.004 1.040 1.00 0.00 C ATOM 0 H ILE A 45 4.317 4.339 4.738 1.00 0.00 H new ATOM 0 HA ILE A 45 5.232 4.452 1.931 1.00 0.00 H new ATOM 0 HB ILE A 45 2.758 5.636 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.610 3.202 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.458 3.980 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.994 6.168 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.504 7.015 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.546 5.581 0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.514 2.067 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.950 3.581 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.120 2.790 1.205 1.00 0.00 H new ATOM 743 N GLU A 46 6.221 6.773 2.106 1.00 0.00 N ATOM 744 CA GLU A 46 6.855 8.094 2.210 1.00 0.00 C ATOM 745 C GLU A 46 7.155 8.684 0.843 1.00 0.00 C ATOM 746 O GLU A 46 7.088 7.994 -0.177 1.00 0.00 O ATOM 747 CB GLU A 46 8.155 8.054 3.017 1.00 0.00 C ATOM 748 CG GLU A 46 7.976 7.825 4.498 1.00 0.00 C ATOM 749 CD GLU A 46 9.285 7.856 5.229 1.00 0.00 C ATOM 750 OE1 GLU A 46 10.187 7.086 4.866 1.00 0.00 O ATOM 751 OE2 GLU A 46 9.424 8.651 6.177 1.00 0.00 O ATOM 0 H GLU A 46 6.501 6.240 1.283 1.00 0.00 H new ATOM 0 HA GLU A 46 6.133 8.724 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.790 7.264 2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.685 8.995 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.314 8.588 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.492 6.862 4.661 1.00 0.00 H new ATOM 758 N ASP A 47 7.482 9.967 0.842 1.00 0.00 N ATOM 759 CA ASP A 47 7.854 10.693 -0.367 1.00 0.00 C ATOM 760 C ASP A 47 9.377 10.622 -0.584 1.00 0.00 C ATOM 761 O ASP A 47 10.113 10.166 0.293 1.00 0.00 O ATOM 762 CB ASP A 47 7.379 12.149 -0.255 1.00 0.00 C ATOM 763 CG ASP A 47 7.798 13.009 -1.422 1.00 0.00 C ATOM 764 OD1 ASP A 47 7.391 12.715 -2.563 1.00 0.00 O ATOM 765 OD2 ASP A 47 8.569 13.961 -1.204 1.00 0.00 O ATOM 0 H ASP A 47 7.497 10.540 1.686 1.00 0.00 H new ATOM 0 HA ASP A 47 7.372 10.234 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.292 12.163 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.772 12.582 0.665 1.00 0.00 H new ATOM 770 N ARG A 48 9.831 11.044 -1.755 1.00 0.00 N ATOM 771 CA ARG A 48 11.258 11.004 -2.094 1.00 0.00 C ATOM 772 C ARG A 48 11.979 12.344 -1.837 1.00 0.00 C ATOM 773 O ARG A 48 13.141 12.502 -2.220 1.00 0.00 O ATOM 774 CB ARG A 48 11.484 10.568 -3.557 1.00 0.00 C ATOM 775 CG ARG A 48 11.151 11.628 -4.611 1.00 0.00 C ATOM 776 CD ARG A 48 9.657 11.778 -4.826 1.00 0.00 C ATOM 777 NE ARG A 48 9.358 12.719 -5.902 1.00 0.00 N ATOM 778 CZ ARG A 48 8.555 12.451 -6.932 1.00 0.00 C ATOM 779 NH1 ARG A 48 7.909 11.290 -6.993 1.00 0.00 N ATOM 780 NH2 ARG A 48 8.379 13.355 -7.884 1.00 0.00 N ATOM 0 H ARG A 48 9.235 11.420 -2.492 1.00 0.00 H new ATOM 0 HA ARG A 48 11.693 10.260 -1.426 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.527 10.276 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.881 9.682 -3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.569 12.586 -4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.626 11.360 -5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.224 10.806 -5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.189 12.120 -3.903 1.00 0.00 H new ATOM 0 HE ARG A 48 9.792 13.641 -5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.027 10.601 -6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.296 11.089 -7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.857 14.254 -7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.765 13.152 -8.673 1.00 0.00 H new ATOM 794 N SER A 49 11.322 13.295 -1.181 1.00 0.00 N ATOM 795 CA SER A 49 11.920 14.613 -0.990 1.00 0.00 C ATOM 796 C SER A 49 11.790 15.085 0.468 1.00 0.00 C ATOM 797 O SER A 49 11.612 16.278 0.735 1.00 0.00 O ATOM 798 CB SER A 49 11.268 15.626 -1.946 1.00 0.00 C ATOM 799 OG SER A 49 11.914 16.891 -1.888 1.00 0.00 O ATOM 0 H SER A 49 10.391 13.182 -0.779 1.00 0.00 H new ATOM 0 HA SER A 49 12.984 14.540 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.308 15.243 -2.966 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.215 15.743 -1.690 1.00 0.00 H new ATOM 0 HG SER A 49 12.162 17.090 -0.961 1.00 0.00 H new ATOM 805 N GLY A 50 11.903 14.153 1.402 1.00 0.00 N ATOM 806 CA GLY A 50 11.834 14.504 2.808 1.00 0.00 C ATOM 807 C GLY A 50 10.429 14.851 3.253 1.00 0.00 C ATOM 808 O GLY A 50 10.181 15.946 3.763 1.00 0.00 O ATOM 0 H GLY A 50 12.041 13.160 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.205 13.671 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.492 15.352 3.000 1.00 0.00 H new ATOM 812 N ASN A 51 9.515 13.919 3.074 1.00 0.00 N ATOM 813 CA ASN A 51 8.127 14.112 3.457 1.00 0.00 C ATOM 814 C ASN A 51 7.495 12.770 3.792 1.00 0.00 C ATOM 815 O ASN A 51 7.232 11.958 2.902 1.00 0.00 O ATOM 816 CB ASN A 51 7.337 14.815 2.341 1.00 0.00 C ATOM 817 CG ASN A 51 5.884 15.066 2.717 1.00 0.00 C ATOM 818 OD1 ASN A 51 5.555 15.256 3.888 1.00 0.00 O ATOM 819 ND2 ASN A 51 5.008 15.078 1.726 1.00 0.00 N ATOM 0 H ASN A 51 9.711 13.008 2.660 1.00 0.00 H new ATOM 0 HA ASN A 51 8.097 14.752 4.339 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.816 15.765 2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.374 14.207 1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.021 15.249 1.920 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.319 14.916 0.768 1.00 0.00 H new ATOM 826 N LEU A 52 7.292 12.525 5.070 1.00 0.00 N ATOM 827 CA LEU A 52 6.696 11.276 5.510 1.00 0.00 C ATOM 828 C LEU A 52 5.194 11.265 5.239 1.00 0.00 C ATOM 829 O LEU A 52 4.538 12.305 5.293 1.00 0.00 O ATOM 830 CB LEU A 52 7.015 11.005 6.996 1.00 0.00 C ATOM 831 CG LEU A 52 6.718 12.141 7.991 1.00 0.00 C ATOM 832 CD1 LEU A 52 5.251 12.160 8.394 1.00 0.00 C ATOM 833 CD2 LEU A 52 7.611 12.019 9.214 1.00 0.00 C ATOM 0 H LEU A 52 7.530 13.171 5.823 1.00 0.00 H new ATOM 0 HA LEU A 52 7.136 10.464 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.453 10.125 7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.072 10.753 7.075 1.00 0.00 H new ATOM 0 HG LEU A 52 6.933 13.087 7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.077 12.975 9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.632 12.307 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.991 11.212 8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.389 12.829 9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.429 11.062 9.703 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.656 12.078 8.909 1.00 0.00 H new ATOM 845 N ILE A 53 4.662 10.099 4.923 1.00 0.00 N ATOM 846 CA ILE A 53 3.246 9.980 4.615 1.00 0.00 C ATOM 847 C ILE A 53 2.494 9.276 5.738 1.00 0.00 C ATOM 848 O ILE A 53 1.505 9.802 6.249 1.00 0.00 O ATOM 849 CB ILE A 53 3.000 9.246 3.271 1.00 0.00 C ATOM 850 CG1 ILE A 53 3.653 10.012 2.105 1.00 0.00 C ATOM 851 CG2 ILE A 53 1.504 9.064 3.021 1.00 0.00 C ATOM 852 CD1 ILE A 53 3.122 11.422 1.912 1.00 0.00 C ATOM 0 H ILE A 53 5.184 9.224 4.873 1.00 0.00 H new ATOM 0 HA ILE A 53 2.863 10.996 4.517 1.00 0.00 H new ATOM 0 HB ILE A 53 3.460 8.260 3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.729 10.061 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.500 9.449 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.354 8.547 2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.069 8.475 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.020 10.040 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.634 11.892 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.052 11.383 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.299 12.004 2.816 1.00 0.00 H new ATOM 864 N ASP A 54 2.989 8.100 6.142 1.00 0.00 N ATOM 865 CA ASP A 54 2.339 7.301 7.184 1.00 0.00 C ATOM 866 C ASP A 54 3.173 6.052 7.486 1.00 0.00 C ATOM 867 O ASP A 54 4.191 5.802 6.828 1.00 0.00 O ATOM 868 CB ASP A 54 0.911 6.895 6.771 1.00 0.00 C ATOM 869 CG ASP A 54 0.011 6.646 7.975 1.00 0.00 C ATOM 870 OD1 ASP A 54 0.049 5.536 8.537 1.00 0.00 O ATOM 871 OD2 ASP A 54 -0.726 7.577 8.373 1.00 0.00 O ATOM 0 H ASP A 54 3.838 7.682 5.762 1.00 0.00 H new ATOM 0 HA ASP A 54 2.268 7.914 8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.477 7.680 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.954 5.994 6.160 1.00 0.00 H new ATOM 876 N THR A 55 2.733 5.271 8.458 1.00 0.00 N ATOM 877 CA THR A 55 3.431 4.067 8.878 1.00 0.00 C ATOM 878 C THR A 55 2.416 3.000 9.293 1.00 0.00 C ATOM 879 O THR A 55 1.383 3.322 9.873 1.00 0.00 O ATOM 880 CB THR A 55 4.408 4.347 10.053 1.00 0.00 C ATOM 881 OG1 THR A 55 3.806 5.238 11.002 1.00 0.00 O ATOM 882 CG2 THR A 55 5.721 4.937 9.553 1.00 0.00 C ATOM 0 H THR A 55 1.877 5.455 8.981 1.00 0.00 H new ATOM 0 HA THR A 55 4.020 3.711 8.033 1.00 0.00 H new ATOM 0 HB THR A 55 4.623 3.395 10.539 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.432 5.404 11.737 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.383 5.121 10.399 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.197 4.237 8.866 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.524 5.876 9.035 1.00 0.00 H new ATOM 890 N SER A 56 2.703 1.743 9.004 1.00 0.00 N ATOM 891 CA SER A 56 1.783 0.676 9.349 1.00 0.00 C ATOM 892 C SER A 56 2.537 -0.618 9.636 1.00 0.00 C ATOM 893 O SER A 56 3.558 -0.910 9.008 1.00 0.00 O ATOM 894 CB SER A 56 0.765 0.465 8.219 1.00 0.00 C ATOM 895 OG SER A 56 -0.261 -0.441 8.604 1.00 0.00 O ATOM 0 H SER A 56 3.557 1.439 8.536 1.00 0.00 H new ATOM 0 HA SER A 56 1.247 0.964 10.253 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.322 1.422 7.944 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.275 0.084 7.335 1.00 0.00 H new ATOM 0 HG SER A 56 -0.231 -1.233 8.028 1.00 0.00 H new ATOM 901 N THR A 57 2.042 -1.375 10.595 1.00 0.00 N ATOM 902 CA THR A 57 2.639 -2.636 10.957 1.00 0.00 C ATOM 903 C THR A 57 1.586 -3.747 10.966 1.00 0.00 C ATOM 904 O THR A 57 0.494 -3.581 11.517 1.00 0.00 O ATOM 905 CB THR A 57 3.332 -2.554 12.333 1.00 0.00 C ATOM 906 OG1 THR A 57 4.340 -1.529 12.300 1.00 0.00 O ATOM 907 CG2 THR A 57 3.979 -3.886 12.702 1.00 0.00 C ATOM 0 H THR A 57 1.216 -1.130 11.142 1.00 0.00 H new ATOM 0 HA THR A 57 3.395 -2.870 10.208 1.00 0.00 H new ATOM 0 HB THR A 57 2.578 -2.316 13.084 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.780 -1.475 13.174 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.460 -3.799 13.676 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.215 -4.663 12.742 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.725 -4.149 11.951 1.00 0.00 H new ATOM 915 N PHE A 58 1.916 -4.855 10.337 1.00 0.00 N ATOM 916 CA PHE A 58 1.032 -6.001 10.277 1.00 0.00 C ATOM 917 C PHE A 58 1.710 -7.204 10.903 1.00 0.00 C ATOM 918 O PHE A 58 2.728 -7.678 10.399 1.00 0.00 O ATOM 919 CB PHE A 58 0.642 -6.320 8.825 1.00 0.00 C ATOM 920 CG PHE A 58 -0.187 -5.254 8.161 1.00 0.00 C ATOM 921 CD1 PHE A 58 -1.555 -5.189 8.375 1.00 0.00 C ATOM 922 CD2 PHE A 58 0.402 -4.322 7.319 1.00 0.00 C ATOM 923 CE1 PHE A 58 -2.321 -4.213 7.763 1.00 0.00 C ATOM 924 CE2 PHE A 58 -0.359 -3.346 6.704 1.00 0.00 C ATOM 925 CZ PHE A 58 -1.722 -3.292 6.925 1.00 0.00 C ATOM 0 H PHE A 58 2.804 -4.987 9.853 1.00 0.00 H new ATOM 0 HA PHE A 58 0.124 -5.764 10.831 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.550 -6.474 8.242 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.089 -7.259 8.807 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.028 -5.908 9.027 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.467 -4.360 7.142 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.386 -4.171 7.940 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.111 -2.626 6.051 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.318 -2.531 6.443 1.00 0.00 H new ATOM 935 N TYR A 59 1.174 -7.685 12.006 1.00 0.00 N ATOM 936 CA TYR A 59 1.740 -8.856 12.653 1.00 0.00 C ATOM 937 C TYR A 59 0.654 -9.745 13.228 1.00 0.00 C ATOM 938 O TYR A 59 -0.094 -9.344 14.123 1.00 0.00 O ATOM 939 CB TYR A 59 2.806 -8.476 13.712 1.00 0.00 C ATOM 940 CG TYR A 59 2.325 -7.598 14.859 1.00 0.00 C ATOM 941 CD1 TYR A 59 1.946 -6.279 14.645 1.00 0.00 C ATOM 942 CD2 TYR A 59 2.268 -8.091 16.158 1.00 0.00 C ATOM 943 CE1 TYR A 59 1.523 -5.478 15.687 1.00 0.00 C ATOM 944 CE2 TYR A 59 1.852 -7.294 17.208 1.00 0.00 C ATOM 945 CZ TYR A 59 1.481 -5.990 16.966 1.00 0.00 C ATOM 946 OH TYR A 59 1.071 -5.189 18.007 1.00 0.00 O ATOM 0 H TYR A 59 0.356 -7.290 12.471 1.00 0.00 H new ATOM 0 HA TYR A 59 2.259 -9.433 11.887 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.216 -9.395 14.131 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.624 -7.963 13.207 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.983 -5.872 13.645 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.554 -9.115 16.350 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.227 -4.456 15.501 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.818 -7.691 18.212 1.00 0.00 H new ATOM 0 HH TYR A 59 1.097 -5.700 18.843 1.00 0.00 H new ATOM 956 N HIS A 60 0.578 -10.941 12.685 1.00 0.00 N ATOM 957 CA HIS A 60 -0.409 -11.943 13.063 1.00 0.00 C ATOM 958 C HIS A 60 -0.209 -13.131 12.149 1.00 0.00 C ATOM 959 O HIS A 60 -0.285 -12.981 10.931 1.00 0.00 O ATOM 960 CB HIS A 60 -1.839 -11.388 12.885 1.00 0.00 C ATOM 961 CG HIS A 60 -2.920 -12.249 13.471 1.00 0.00 C ATOM 962 ND1 HIS A 60 -3.509 -11.990 14.692 1.00 0.00 N ATOM 963 CD2 HIS A 60 -3.529 -13.359 12.992 1.00 0.00 C ATOM 964 CE1 HIS A 60 -4.426 -12.901 14.938 1.00 0.00 C ATOM 965 NE2 HIS A 60 -4.460 -13.744 13.922 1.00 0.00 N ATOM 0 H HIS A 60 1.213 -11.256 11.951 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.285 -12.223 14.109 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.891 -10.400 13.343 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.034 -11.257 11.821 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.320 -13.850 12.053 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.046 -12.951 15.821 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.079 -14.551 13.842 1.00 0.00 H new ATOM 973 N HIS A 61 0.042 -14.303 12.701 1.00 0.00 N ATOM 974 CA HIS A 61 0.315 -15.443 11.838 1.00 0.00 C ATOM 975 C HIS A 61 -0.961 -16.081 11.284 1.00 0.00 C ATOM 976 O HIS A 61 -1.471 -17.074 11.810 1.00 0.00 O ATOM 977 CB HIS A 61 1.229 -16.495 12.523 1.00 0.00 C ATOM 978 CG HIS A 61 0.823 -16.904 13.916 1.00 0.00 C ATOM 979 ND1 HIS A 61 0.068 -18.025 14.188 1.00 0.00 N ATOM 980 CD2 HIS A 61 1.104 -16.347 15.116 1.00 0.00 C ATOM 981 CE1 HIS A 61 -0.099 -18.139 15.490 1.00 0.00 C ATOM 982 NE2 HIS A 61 0.519 -17.134 16.079 1.00 0.00 N ATOM 0 H HIS A 61 0.063 -14.491 13.703 1.00 0.00 H new ATOM 0 HA HIS A 61 0.865 -15.048 10.984 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.259 -17.386 11.896 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.243 -16.098 12.562 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.681 -15.450 15.286 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.649 -18.923 15.990 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.557 -16.968 17.085 1.00 0.00 H new ATOM 990 N ASP A 62 -1.487 -15.452 10.245 1.00 0.00 N ATOM 991 CA ASP A 62 -2.594 -15.984 9.462 1.00 0.00 C ATOM 992 C ASP A 62 -2.375 -15.611 8.013 1.00 0.00 C ATOM 993 O ASP A 62 -2.569 -14.454 7.635 1.00 0.00 O ATOM 994 CB ASP A 62 -3.952 -15.473 9.937 1.00 0.00 C ATOM 995 CG ASP A 62 -5.090 -16.280 9.329 1.00 0.00 C ATOM 996 OD1 ASP A 62 -5.418 -16.068 8.138 1.00 0.00 O ATOM 997 OD2 ASP A 62 -5.655 -17.141 10.044 1.00 0.00 O ATOM 0 H ASP A 62 -1.154 -14.546 9.917 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.612 -17.067 9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.004 -15.529 11.024 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.063 -14.423 9.666 1.00 0.00 H new ATOM 1002 N GLU A 63 -1.959 -16.566 7.215 1.00 0.00 N ATOM 1003 CA GLU A 63 -1.622 -16.319 5.814 1.00 0.00 C ATOM 1004 C GLU A 63 -2.758 -15.637 5.023 1.00 0.00 C ATOM 1005 O GLU A 63 -2.517 -14.654 4.318 1.00 0.00 O ATOM 1006 CB GLU A 63 -1.236 -17.632 5.141 1.00 0.00 C ATOM 1007 CG GLU A 63 0.011 -18.285 5.732 1.00 0.00 C ATOM 1008 CD GLU A 63 0.346 -19.613 5.081 1.00 0.00 C ATOM 1009 OE1 GLU A 63 -0.187 -20.652 5.531 1.00 0.00 O ATOM 1010 OE2 GLU A 63 1.151 -19.630 4.126 1.00 0.00 O ATOM 0 H GLU A 63 -1.842 -17.536 7.508 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.781 -15.626 5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.071 -18.328 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.071 -17.450 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.857 -17.607 5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.137 -18.437 6.801 1.00 0.00 H new ATOM 1017 N ASP A 64 -3.980 -16.144 5.150 1.00 0.00 N ATOM 1018 CA ASP A 64 -5.111 -15.613 4.368 1.00 0.00 C ATOM 1019 C ASP A 64 -5.463 -14.185 4.739 1.00 0.00 C ATOM 1020 O ASP A 64 -5.588 -13.323 3.864 1.00 0.00 O ATOM 1021 CB ASP A 64 -6.355 -16.477 4.526 1.00 0.00 C ATOM 1022 CG ASP A 64 -6.211 -17.835 3.897 1.00 0.00 C ATOM 1023 OD1 ASP A 64 -6.206 -17.924 2.652 1.00 0.00 O ATOM 1024 OD2 ASP A 64 -6.110 -18.826 4.649 1.00 0.00 O ATOM 0 H ASP A 64 -4.220 -16.912 5.777 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.778 -15.629 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.576 -16.596 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.206 -15.964 4.079 1.00 0.00 H new ATOM 1029 N VAL A 65 -5.629 -13.927 6.023 1.00 0.00 N ATOM 1030 CA VAL A 65 -6.046 -12.618 6.498 1.00 0.00 C ATOM 1031 C VAL A 65 -4.954 -11.562 6.312 1.00 0.00 C ATOM 1032 O VAL A 65 -5.239 -10.417 5.939 1.00 0.00 O ATOM 1033 CB VAL A 65 -6.470 -12.676 7.991 1.00 0.00 C ATOM 1034 CG1 VAL A 65 -6.869 -11.302 8.502 1.00 0.00 C ATOM 1035 CG2 VAL A 65 -7.610 -13.665 8.182 1.00 0.00 C ATOM 0 H VAL A 65 -5.480 -14.613 6.763 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.904 -12.326 5.893 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.612 -13.015 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.161 -11.374 9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.025 -10.619 8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.708 -10.926 7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.895 -13.693 9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.466 -13.354 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.288 -14.657 7.867 1.00 0.00 H new ATOM 1045 N LEU A 66 -3.707 -11.961 6.566 1.00 0.00 N ATOM 1046 CA LEU A 66 -2.572 -11.034 6.576 1.00 0.00 C ATOM 1047 C LEU A 66 -2.501 -10.188 5.290 1.00 0.00 C ATOM 1048 O LEU A 66 -2.520 -8.952 5.353 1.00 0.00 O ATOM 1049 CB LEU A 66 -1.257 -11.831 6.765 1.00 0.00 C ATOM 1050 CG LEU A 66 -0.063 -11.076 7.401 1.00 0.00 C ATOM 1051 CD1 LEU A 66 0.535 -10.064 6.437 1.00 0.00 C ATOM 1052 CD2 LEU A 66 -0.488 -10.390 8.697 1.00 0.00 C ATOM 0 H LEU A 66 -3.455 -12.928 6.769 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.711 -10.343 7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.475 -12.702 7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.942 -12.202 5.790 1.00 0.00 H new ATOM 0 HG LEU A 66 0.707 -11.813 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.370 -9.554 6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.889 -10.578 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.225 -9.334 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.365 -9.866 9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.284 -9.676 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.848 -11.138 9.403 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.441 -10.835 4.137 1.00 0.00 N ATOM 1065 CA PHE A 67 -2.358 -10.115 2.866 1.00 0.00 C ATOM 1066 C PHE A 67 -3.633 -9.355 2.513 1.00 0.00 C ATOM 1067 O PHE A 67 -3.571 -8.318 1.842 1.00 0.00 O ATOM 1068 CB PHE A 67 -1.946 -11.046 1.727 1.00 0.00 C ATOM 1069 CG PHE A 67 -0.526 -11.522 1.840 1.00 0.00 C ATOM 1070 CD1 PHE A 67 0.534 -10.677 1.524 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -0.246 -12.806 2.274 1.00 0.00 C ATOM 1072 CE1 PHE A 67 1.840 -11.111 1.636 1.00 0.00 C ATOM 1073 CE2 PHE A 67 1.059 -13.245 2.388 1.00 0.00 C ATOM 1074 CZ PHE A 67 2.103 -12.398 2.069 1.00 0.00 C ATOM 0 H PHE A 67 -2.448 -11.851 4.050 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.581 -9.362 3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.612 -11.909 1.712 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.075 -10.527 0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.333 -9.671 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.057 -13.473 2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.654 -10.447 1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.263 -14.250 2.726 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.123 -12.741 2.158 1.00 0.00 H new ATOM 1084 N ASN A 68 -4.785 -9.851 2.966 1.00 0.00 N ATOM 1085 CA ASN A 68 -6.062 -9.197 2.651 1.00 0.00 C ATOM 1086 C ASN A 68 -6.063 -7.776 3.214 1.00 0.00 C ATOM 1087 O ASN A 68 -6.434 -6.820 2.528 1.00 0.00 O ATOM 1088 CB ASN A 68 -7.239 -10.009 3.240 1.00 0.00 C ATOM 1089 CG ASN A 68 -8.627 -9.471 2.856 1.00 0.00 C ATOM 1090 OD1 ASN A 68 -8.816 -8.279 2.613 1.00 0.00 O ATOM 1091 ND2 ASN A 68 -9.603 -10.359 2.811 1.00 0.00 N ATOM 0 H ASN A 68 -4.864 -10.689 3.543 1.00 0.00 H new ATOM 0 HA ASN A 68 -6.183 -9.151 1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.157 -11.043 2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.152 -10.018 4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.549 -10.065 2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.411 -11.339 3.018 1.00 0.00 H new ATOM 1098 N MET A 69 -5.594 -7.636 4.447 1.00 0.00 N ATOM 1099 CA MET A 69 -5.525 -6.335 5.098 1.00 0.00 C ATOM 1100 C MET A 69 -4.510 -5.428 4.402 1.00 0.00 C ATOM 1101 O MET A 69 -4.722 -4.223 4.283 1.00 0.00 O ATOM 1102 CB MET A 69 -5.146 -6.491 6.575 1.00 0.00 C ATOM 1103 CG MET A 69 -6.185 -7.217 7.418 1.00 0.00 C ATOM 1104 SD MET A 69 -5.720 -7.319 9.162 1.00 0.00 S ATOM 1105 CE MET A 69 -4.266 -8.365 9.067 1.00 0.00 C ATOM 0 H MET A 69 -5.255 -8.410 5.018 1.00 0.00 H new ATOM 0 HA MET A 69 -6.511 -5.876 5.028 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.201 -7.031 6.640 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.977 -5.502 7.001 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.142 -6.702 7.331 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.327 -8.224 7.025 1.00 0.00 H new ATOM 0 HE1 MET A 69 -4.193 -8.970 9.971 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.344 -9.018 8.198 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.376 -7.743 8.974 1.00 0.00 H new ATOM 1115 N CYS A 70 -3.415 -6.026 3.942 1.00 0.00 N ATOM 1116 CA CYS A 70 -2.317 -5.283 3.324 1.00 0.00 C ATOM 1117 C CYS A 70 -2.734 -4.579 2.023 1.00 0.00 C ATOM 1118 O CYS A 70 -2.417 -3.404 1.820 1.00 0.00 O ATOM 1119 CB CYS A 70 -1.137 -6.220 3.060 1.00 0.00 C ATOM 1120 SG CYS A 70 -0.426 -6.950 4.554 1.00 0.00 S ATOM 0 H CYS A 70 -3.262 -7.034 3.986 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.022 -4.503 4.026 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.464 -7.021 2.397 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.359 -5.668 2.533 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.184 -7.923 4.965 1.00 0.00 H new ATOM 1126 N THR A 71 -3.462 -5.272 1.155 1.00 0.00 N ATOM 1127 CA THR A 71 -3.859 -4.683 -0.121 1.00 0.00 C ATOM 1128 C THR A 71 -5.005 -3.684 0.070 1.00 0.00 C ATOM 1129 O THR A 71 -5.085 -2.665 -0.624 1.00 0.00 O ATOM 1130 CB THR A 71 -4.243 -5.765 -1.175 1.00 0.00 C ATOM 1131 OG1 THR A 71 -4.583 -5.142 -2.421 1.00 0.00 O ATOM 1132 CG2 THR A 71 -5.412 -6.622 -0.698 1.00 0.00 C ATOM 0 H THR A 71 -3.786 -6.227 1.306 1.00 0.00 H new ATOM 0 HA THR A 71 -2.992 -4.148 -0.508 1.00 0.00 H new ATOM 0 HB THR A 71 -3.378 -6.413 -1.312 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.821 -5.830 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.652 -7.365 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.139 -7.126 0.229 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.281 -5.988 -0.524 1.00 0.00 H new ATOM 1140 N ASP A 72 -5.860 -3.976 1.036 1.00 0.00 N ATOM 1141 CA ASP A 72 -7.012 -3.138 1.363 1.00 0.00 C ATOM 1142 C ASP A 72 -6.552 -1.776 1.886 1.00 0.00 C ATOM 1143 O ASP A 72 -7.218 -0.760 1.705 1.00 0.00 O ATOM 1144 CB ASP A 72 -7.893 -3.841 2.394 1.00 0.00 C ATOM 1145 CG ASP A 72 -9.276 -3.240 2.489 1.00 0.00 C ATOM 1146 OD1 ASP A 72 -10.145 -3.608 1.662 1.00 0.00 O ATOM 1147 OD2 ASP A 72 -9.513 -2.414 3.395 1.00 0.00 O ATOM 0 H ASP A 72 -5.777 -4.807 1.622 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.597 -2.975 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.977 -4.896 2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.412 -3.791 3.371 1.00 0.00 H new ATOM 1152 N TRP A 73 -5.373 -1.779 2.501 1.00 0.00 N ATOM 1153 CA TRP A 73 -4.835 -0.569 3.117 1.00 0.00 C ATOM 1154 C TRP A 73 -4.322 0.365 2.010 1.00 0.00 C ATOM 1155 O TRP A 73 -4.468 1.587 2.071 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.733 -0.896 4.131 1.00 0.00 C ATOM 1157 CG TRP A 73 -3.359 0.271 5.018 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -3.936 0.615 6.209 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -2.329 1.235 4.786 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -3.320 1.732 6.724 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -2.332 2.128 5.874 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -1.412 1.428 3.768 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -1.441 3.192 5.967 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -0.527 2.481 3.857 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -0.546 3.352 4.951 1.00 0.00 C ATOM 0 H TRP A 73 -4.774 -2.600 2.586 1.00 0.00 H new ATOM 0 HA TRP A 73 -5.627 -0.067 3.673 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -4.061 -1.726 4.756 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.846 -1.233 3.595 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.754 0.088 6.676 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -3.564 2.190 7.602 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.390 0.764 2.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -1.457 3.865 6.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.194 2.636 3.068 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.162 4.167 4.992 1.00 0.00 H new ATOM 1176 N LEU A 74 -3.728 -0.265 0.986 1.00 0.00 N ATOM 1177 CA LEU A 74 -3.168 0.464 -0.160 1.00 0.00 C ATOM 1178 C LEU A 74 -4.279 1.143 -0.958 1.00 0.00 C ATOM 1179 O LEU A 74 -4.198 2.323 -1.271 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.346 -0.461 -1.080 1.00 0.00 C ATOM 1181 CG LEU A 74 -0.907 -0.788 -0.636 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -0.298 -1.832 -1.559 1.00 0.00 C ATOM 1183 CD2 LEU A 74 -0.052 0.472 -0.634 1.00 0.00 C ATOM 0 H LEU A 74 -3.623 -1.278 0.929 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.496 1.225 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.889 -1.400 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.300 -0.003 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.939 -1.188 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.719 -2.055 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.897 -2.742 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.278 -1.449 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.961 0.224 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.026 0.895 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.479 1.200 0.056 1.00 0.00 H new ATOM 1195 N ASN A 75 -5.345 0.386 -1.226 1.00 0.00 N ATOM 1196 CA ASN A 75 -6.506 0.888 -1.989 1.00 0.00 C ATOM 1197 C ASN A 75 -7.203 2.001 -1.227 1.00 0.00 C ATOM 1198 O ASN A 75 -7.762 2.928 -1.812 1.00 0.00 O ATOM 1199 CB ASN A 75 -7.500 -0.244 -2.275 1.00 0.00 C ATOM 1200 CG ASN A 75 -6.972 -1.261 -3.272 1.00 0.00 C ATOM 1201 OD1 ASN A 75 -6.175 -0.935 -4.152 1.00 0.00 O ATOM 1202 ND2 ASN A 75 -7.412 -2.498 -3.139 1.00 0.00 N ATOM 0 H ASN A 75 -5.435 -0.585 -0.926 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.140 1.281 -2.937 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.743 -0.751 -1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.428 0.183 -2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.092 -3.225 -3.779 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.072 -2.727 -2.396 1.00 0.00 H new ATOM 1209 N HIS A 76 -7.143 1.890 0.080 1.00 0.00 N ATOM 1210 CA HIS A 76 -7.765 2.820 1.007 1.00 0.00 C ATOM 1211 C HIS A 76 -7.320 4.285 0.784 1.00 0.00 C ATOM 1212 O HIS A 76 -8.152 5.193 0.795 1.00 0.00 O ATOM 1213 CB HIS A 76 -7.443 2.338 2.436 1.00 0.00 C ATOM 1214 CG HIS A 76 -7.605 3.341 3.523 1.00 0.00 C ATOM 1215 ND1 HIS A 76 -8.827 3.803 3.962 1.00 0.00 N ATOM 1216 CD2 HIS A 76 -6.671 3.960 4.282 1.00 0.00 C ATOM 1217 CE1 HIS A 76 -8.645 4.665 4.940 1.00 0.00 C ATOM 1218 NE2 HIS A 76 -7.342 4.781 5.158 1.00 0.00 N ATOM 0 H HIS A 76 -6.647 1.130 0.545 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.842 2.827 0.839 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.082 1.484 2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.414 1.979 2.452 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.601 3.833 4.213 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -9.424 5.189 5.474 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.909 5.381 5.860 1.00 0.00 H new ATOM 1226 N MET A 77 -6.030 4.512 0.588 1.00 0.00 N ATOM 1227 CA MET A 77 -5.523 5.886 0.433 1.00 0.00 C ATOM 1228 C MET A 77 -5.758 6.492 -0.959 1.00 0.00 C ATOM 1229 O MET A 77 -5.785 7.717 -1.098 1.00 0.00 O ATOM 1230 CB MET A 77 -4.047 6.001 0.823 1.00 0.00 C ATOM 1231 CG MET A 77 -3.118 5.039 0.108 1.00 0.00 C ATOM 1232 SD MET A 77 -1.385 5.382 0.460 1.00 0.00 S ATOM 1233 CE MET A 77 -1.384 5.291 2.251 1.00 0.00 C ATOM 0 H MET A 77 -5.318 3.784 0.532 1.00 0.00 H new ATOM 0 HA MET A 77 -6.118 6.477 1.129 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.713 7.020 0.625 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.957 5.839 1.897 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.353 4.018 0.408 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.289 5.102 -0.967 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.376 5.072 2.604 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.714 6.244 2.664 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.061 4.501 2.576 1.00 0.00 H new ATOM 1243 N TYR A 78 -5.939 5.650 -1.983 1.00 0.00 N ATOM 1244 CA TYR A 78 -6.099 6.156 -3.363 1.00 0.00 C ATOM 1245 C TYR A 78 -7.278 7.118 -3.503 1.00 0.00 C ATOM 1246 O TYR A 78 -7.142 8.183 -4.093 1.00 0.00 O ATOM 1247 CB TYR A 78 -6.280 5.010 -4.369 1.00 0.00 C ATOM 1248 CG TYR A 78 -5.009 4.283 -4.763 1.00 0.00 C ATOM 1249 CD1 TYR A 78 -4.566 3.190 -4.050 1.00 0.00 C ATOM 1250 CD2 TYR A 78 -4.271 4.681 -5.874 1.00 0.00 C ATOM 1251 CE1 TYR A 78 -3.428 2.505 -4.423 1.00 0.00 C ATOM 1252 CE2 TYR A 78 -3.130 4.008 -6.250 1.00 0.00 C ATOM 1253 CZ TYR A 78 -2.716 2.918 -5.522 1.00 0.00 C ATOM 1254 OH TYR A 78 -1.593 2.231 -5.902 1.00 0.00 O ATOM 0 H TYR A 78 -5.979 4.635 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.179 6.697 -3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.977 4.286 -3.947 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.744 5.411 -5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.120 2.863 -3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.599 5.533 -6.451 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.099 1.648 -3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.565 4.334 -7.110 1.00 0.00 H new ATOM 0 HH TYR A 78 -1.796 1.274 -5.951 1.00 0.00 H new ATOM 1264 N ASP A 79 -8.417 6.750 -2.940 1.00 0.00 N ATOM 1265 CA ASP A 79 -9.653 7.540 -3.086 1.00 0.00 C ATOM 1266 C ASP A 79 -9.485 8.975 -2.575 1.00 0.00 C ATOM 1267 O ASP A 79 -9.815 9.942 -3.273 1.00 0.00 O ATOM 1268 CB ASP A 79 -10.790 6.852 -2.321 1.00 0.00 C ATOM 1269 CG ASP A 79 -12.124 7.538 -2.508 1.00 0.00 C ATOM 1270 OD1 ASP A 79 -12.813 7.240 -3.503 1.00 0.00 O ATOM 1271 OD2 ASP A 79 -12.499 8.370 -1.655 1.00 0.00 O ATOM 0 H ASP A 79 -8.523 5.908 -2.374 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.889 7.595 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.870 5.817 -2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.545 6.829 -1.259 1.00 0.00 H new ATOM 1276 N GLN A 80 -8.976 9.097 -1.369 1.00 0.00 N ATOM 1277 CA GLN A 80 -8.776 10.406 -0.746 1.00 0.00 C ATOM 1278 C GLN A 80 -7.744 11.265 -1.495 1.00 0.00 C ATOM 1279 O GLN A 80 -7.946 12.467 -1.680 1.00 0.00 O ATOM 1280 CB GLN A 80 -8.383 10.267 0.728 1.00 0.00 C ATOM 1281 CG GLN A 80 -8.272 11.607 1.447 1.00 0.00 C ATOM 1282 CD GLN A 80 -9.601 12.347 1.502 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -10.668 11.731 1.587 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -9.547 13.665 1.437 1.00 0.00 N ATOM 0 H GLN A 80 -8.689 8.308 -0.790 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.734 10.922 -0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.121 9.648 1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.428 9.745 0.796 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.908 11.443 2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.534 12.228 0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.645 14.136 1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.408 14.212 1.456 1.00 0.00 H new ATOM 1293 N LEU A 81 -6.670 10.649 -1.958 1.00 0.00 N ATOM 1294 CA LEU A 81 -5.585 11.396 -2.599 1.00 0.00 C ATOM 1295 C LEU A 81 -5.868 11.720 -4.071 1.00 0.00 C ATOM 1296 O LEU A 81 -5.072 12.383 -4.724 1.00 0.00 O ATOM 1297 CB LEU A 81 -4.259 10.647 -2.458 1.00 0.00 C ATOM 1298 CG LEU A 81 -3.750 10.465 -1.023 1.00 0.00 C ATOM 1299 CD1 LEU A 81 -2.481 9.631 -1.007 1.00 0.00 C ATOM 1300 CD2 LEU A 81 -3.509 11.816 -0.360 1.00 0.00 C ATOM 0 H LEU A 81 -6.520 9.641 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.515 12.351 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.368 9.663 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.499 11.180 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.516 9.937 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.136 9.513 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.685 8.650 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.710 10.130 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.148 11.663 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.765 12.373 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.442 12.380 -0.333 1.00 0.00 H new ATOM 1312 N LYS A 82 -7.001 11.271 -4.585 1.00 0.00 N ATOM 1313 CA LYS A 82 -7.350 11.569 -5.975 1.00 0.00 C ATOM 1314 C LYS A 82 -7.945 12.962 -6.119 1.00 0.00 C ATOM 1315 O LYS A 82 -7.960 13.528 -7.211 1.00 0.00 O ATOM 1316 CB LYS A 82 -8.298 10.529 -6.574 1.00 0.00 C ATOM 1317 CG LYS A 82 -7.646 9.197 -6.879 1.00 0.00 C ATOM 1318 CD LYS A 82 -8.631 8.241 -7.521 1.00 0.00 C ATOM 1319 CE LYS A 82 -7.974 6.919 -7.866 1.00 0.00 C ATOM 1320 NZ LYS A 82 -8.922 5.987 -8.525 1.00 0.00 N ATOM 0 H LYS A 82 -7.686 10.710 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.416 11.530 -6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.124 10.366 -5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.726 10.930 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.796 9.349 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.257 8.760 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.467 8.068 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.042 8.692 -8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.123 7.097 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.584 6.459 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.435 5.095 -8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.722 5.797 -7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.275 6.415 -9.405 1.00 0.00 H new ATOM 1334 N ASP A 83 -8.443 13.507 -5.024 1.00 0.00 N ATOM 1335 CA ASP A 83 -9.015 14.851 -5.040 1.00 0.00 C ATOM 1336 C ASP A 83 -8.073 15.846 -4.395 1.00 0.00 C ATOM 1337 O ASP A 83 -8.315 17.051 -4.423 1.00 0.00 O ATOM 1338 CB ASP A 83 -10.362 14.887 -4.320 1.00 0.00 C ATOM 1339 CG ASP A 83 -11.412 14.028 -4.983 1.00 0.00 C ATOM 1340 OD1 ASP A 83 -11.940 14.431 -6.042 1.00 0.00 O ATOM 1341 OD2 ASP A 83 -11.732 12.953 -4.439 1.00 0.00 O ATOM 0 H ASP A 83 -8.465 13.047 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.167 15.126 -6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.226 14.554 -3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.717 15.917 -4.278 1.00 0.00 H new ATOM 1346 N TRP A 84 -6.998 15.338 -3.815 1.00 0.00 N ATOM 1347 CA TRP A 84 -6.041 16.177 -3.123 1.00 0.00 C ATOM 1348 C TRP A 84 -4.686 15.482 -3.033 1.00 0.00 C ATOM 1349 O TRP A 84 -4.373 14.829 -2.035 1.00 0.00 O ATOM 1350 CB TRP A 84 -6.561 16.544 -1.726 1.00 0.00 C ATOM 1351 CG TRP A 84 -5.710 17.544 -1.005 1.00 0.00 C ATOM 1352 CD1 TRP A 84 -5.489 18.836 -1.372 1.00 0.00 C ATOM 1353 CD2 TRP A 84 -4.986 17.342 0.215 1.00 0.00 C ATOM 1354 NE1 TRP A 84 -4.664 19.450 -0.465 1.00 0.00 N ATOM 1355 CE2 TRP A 84 -4.342 18.555 0.519 1.00 0.00 C ATOM 1356 CE3 TRP A 84 -4.819 16.253 1.074 1.00 0.00 C ATOM 1357 CZ2 TRP A 84 -3.544 18.710 1.649 1.00 0.00 C ATOM 1358 CZ3 TRP A 84 -4.027 16.410 2.197 1.00 0.00 C ATOM 1359 CH2 TRP A 84 -3.398 17.629 2.474 1.00 0.00 C ATOM 0 H TRP A 84 -6.768 14.344 -3.811 1.00 0.00 H new ATOM 0 HA TRP A 84 -5.912 17.098 -3.692 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -7.572 16.941 -1.818 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -6.628 15.638 -1.124 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -5.903 19.309 -2.250 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.343 20.417 -0.515 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -5.298 15.308 0.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.058 19.650 1.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.892 15.578 2.872 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.784 17.718 3.358 1.00 0.00 H new ATOM 1370 N LYS A 85 -3.905 15.580 -4.088 1.00 0.00 N ATOM 1371 CA LYS A 85 -2.586 14.971 -4.112 1.00 0.00 C ATOM 1372 C LYS A 85 -1.496 16.039 -4.112 1.00 0.00 C ATOM 1373 O LYS A 85 -1.532 16.924 -5.013 1.00 0.00 O ATOM 1374 CB LYS A 85 -2.445 14.019 -5.322 1.00 0.00 C ATOM 1375 CG LYS A 85 -2.669 14.677 -6.680 1.00 0.00 C ATOM 1376 CD LYS A 85 -2.694 13.654 -7.815 1.00 0.00 C ATOM 1377 CE LYS A 85 -1.367 12.915 -7.965 1.00 0.00 C ATOM 1378 NZ LYS A 85 -0.268 13.815 -8.404 1.00 0.00 N ATOM 0 H LYS A 85 -4.158 16.076 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.465 14.376 -3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.448 13.579 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.156 13.201 -5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.611 15.226 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.879 15.405 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.490 12.932 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.932 14.160 -8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.100 12.456 -7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.483 12.107 -8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.543 13.245 -8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.599 14.410 -9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.023 14.421 -7.610 1.00 0.00 H new TER 1392 LYS A 85