USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=24 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 Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.0517) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00771 (180deg=-0.221) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 111:sc= -1.07 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 0.395 (180deg=0.0719) USER MOD Single : A 16 THR OG1 : rot 93:sc= 0.553 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc=-0.00626 (180deg=-0.123) USER MOD Single : A 21 GLN : amide:sc= -0.0956 K(o=-0.096,f=-0.65) USER MOD Single : A 28 TYR OH : rot 51:sc= 0.506 USER MOD Single : A 32 TYR OH : rot 40:sc= 0.513 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 22:sc= 1.29 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 26:sc= 0.255 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc=-0.00973 K(o=-0.0097,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 22:sc= 0.557 USER MOD Single : A 56 SER OG : rot -132:sc= 0.0495 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-3.2!) USER MOD Single : A 61 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.36) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 69 MET CE :methyl 177:sc= -2.17 (180deg=-2.33) USER MOD Single : A 70 CYS SG : rot 61:sc= 0.347 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -117:sc= -1.59 (180deg=-2.26!) USER MOD Single : A 78 TYR OH : rot 150:sc=-0.00944 USER MOD Single : A 80 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.19) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.141) USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= -0.0238 (180deg=-0.217) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.934 -4.349 -1.916 1.00 0.00 N ATOM 2 CA MET A 1 15.130 -5.178 -2.233 1.00 0.00 C ATOM 3 C MET A 1 14.801 -6.187 -3.320 1.00 0.00 C ATOM 4 O MET A 1 15.593 -6.420 -4.239 1.00 0.00 O ATOM 5 CB MET A 1 15.603 -5.920 -0.986 1.00 0.00 C ATOM 6 CG MET A 1 16.110 -5.016 0.118 1.00 0.00 C ATOM 7 SD MET A 1 16.687 -5.937 1.560 1.00 0.00 S ATOM 8 CE MET A 1 16.973 -4.593 2.708 1.00 0.00 C ATOM 0 H1 MET A 1 14.221 -3.530 -1.342 1.00 0.00 H new ATOM 0 H2 MET A 1 13.498 -4.017 -2.800 1.00 0.00 H new ATOM 0 H3 MET A 1 13.247 -4.920 -1.384 1.00 0.00 H new ATOM 0 HA MET A 1 15.922 -4.516 -2.584 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.779 -6.520 -0.600 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.397 -6.612 -1.267 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.924 -4.402 -0.266 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.313 -4.336 0.421 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.529 -4.962 3.569 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.547 -3.809 2.214 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.017 -4.188 3.040 1.00 0.00 H new ATOM 17 N GLY A 2 13.622 -6.774 -3.216 1.00 0.00 N ATOM 18 CA GLY A 2 13.193 -7.764 -4.166 1.00 0.00 C ATOM 19 C GLY A 2 11.703 -7.971 -4.108 1.00 0.00 C ATOM 20 O GLY A 2 11.024 -7.382 -3.261 1.00 0.00 O ATOM 0 H GLY A 2 12.948 -6.576 -2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.480 -7.455 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 2 13.701 -8.707 -3.965 1.00 0.00 H new ATOM 24 N ARG A 3 11.189 -8.791 -4.999 1.00 0.00 N ATOM 25 CA ARG A 3 9.768 -9.056 -5.061 1.00 0.00 C ATOM 26 C ARG A 3 9.508 -10.568 -5.097 1.00 0.00 C ATOM 27 O ARG A 3 10.123 -11.294 -5.881 1.00 0.00 O ATOM 28 CB ARG A 3 9.174 -8.355 -6.288 1.00 0.00 C ATOM 29 CG ARG A 3 7.670 -8.481 -6.420 1.00 0.00 C ATOM 30 CD ARG A 3 7.147 -7.632 -7.569 1.00 0.00 C ATOM 31 NE ARG A 3 7.290 -6.189 -7.306 1.00 0.00 N ATOM 32 CZ ARG A 3 7.584 -5.274 -8.245 1.00 0.00 C ATOM 33 NH1 ARG A 3 7.860 -5.657 -9.485 1.00 0.00 N ATOM 34 NH2 ARG A 3 7.631 -3.977 -7.933 1.00 0.00 N ATOM 0 H ARG A 3 11.740 -9.290 -5.697 1.00 0.00 H new ATOM 0 HA ARG A 3 9.282 -8.662 -4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 3 9.435 -7.297 -6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.640 -8.764 -7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.403 -9.525 -6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.193 -8.172 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.685 -7.888 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.096 -7.866 -7.742 1.00 0.00 H new ATOM 0 HE ARG A 3 7.157 -5.864 -6.348 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.849 -6.648 -9.727 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.083 -4.961 -10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.443 -3.675 -6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.855 -3.288 -8.651 1.00 0.00 H new ATOM 48 N LEU A 4 8.609 -11.029 -4.232 1.00 0.00 N ATOM 49 CA LEU A 4 8.286 -12.455 -4.122 1.00 0.00 C ATOM 50 C LEU A 4 7.180 -12.867 -5.091 1.00 0.00 C ATOM 51 O LEU A 4 6.464 -12.024 -5.635 1.00 0.00 O ATOM 52 CB LEU A 4 7.879 -12.826 -2.681 1.00 0.00 C ATOM 53 CG LEU A 4 8.994 -12.810 -1.621 1.00 0.00 C ATOM 54 CD1 LEU A 4 10.181 -13.637 -2.075 1.00 0.00 C ATOM 55 CD2 LEU A 4 9.421 -11.388 -1.274 1.00 0.00 C ATOM 0 H LEU A 4 8.086 -10.433 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 4 9.192 -13.000 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.096 -12.139 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.440 -13.824 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 4 8.591 -13.259 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.957 -13.611 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.866 -14.668 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.575 -13.228 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.210 -11.418 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.792 -10.891 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.566 -10.837 -0.881 1.00 0.00 H new ATOM 67 N TYR A 5 7.063 -14.171 -5.319 1.00 0.00 N ATOM 68 CA TYR A 5 6.039 -14.714 -6.203 1.00 0.00 C ATOM 69 C TYR A 5 5.260 -15.830 -5.496 1.00 0.00 C ATOM 70 O TYR A 5 5.851 -16.819 -5.055 1.00 0.00 O ATOM 71 CB TYR A 5 6.689 -15.265 -7.484 1.00 0.00 C ATOM 72 CG TYR A 5 7.413 -14.220 -8.314 1.00 0.00 C ATOM 73 CD1 TYR A 5 8.732 -13.877 -8.039 1.00 0.00 C ATOM 74 CD2 TYR A 5 6.779 -13.581 -9.370 1.00 0.00 C ATOM 75 CE1 TYR A 5 9.396 -12.930 -8.788 1.00 0.00 C ATOM 76 CE2 TYR A 5 7.438 -12.630 -10.127 1.00 0.00 C ATOM 77 CZ TYR A 5 8.746 -12.309 -9.831 1.00 0.00 C ATOM 78 OH TYR A 5 9.408 -11.363 -10.579 1.00 0.00 O ATOM 0 H TYR A 5 7.670 -14.876 -4.900 1.00 0.00 H new ATOM 0 HA TYR A 5 5.347 -13.914 -6.466 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.395 -16.049 -7.211 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.918 -15.730 -8.098 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.246 -14.362 -7.223 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.755 -13.830 -9.604 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.420 -12.676 -8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.931 -12.141 -10.946 1.00 0.00 H new ATOM 0 HH TYR A 5 8.811 -11.021 -11.277 1.00 0.00 H new ATOM 88 N SER A 6 3.948 -15.665 -5.386 1.00 0.00 N ATOM 89 CA SER A 6 3.085 -16.670 -4.763 1.00 0.00 C ATOM 90 C SER A 6 1.626 -16.470 -5.191 1.00 0.00 C ATOM 91 O SER A 6 1.280 -15.430 -5.768 1.00 0.00 O ATOM 92 CB SER A 6 3.217 -16.649 -3.234 1.00 0.00 C ATOM 93 OG SER A 6 2.988 -15.357 -2.715 1.00 0.00 O ATOM 0 H SER A 6 3.452 -14.839 -5.722 1.00 0.00 H new ATOM 0 HA SER A 6 3.411 -17.651 -5.107 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.506 -17.350 -2.796 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.214 -16.986 -2.949 1.00 0.00 H new ATOM 0 HG SER A 6 2.145 -15.350 -2.215 1.00 0.00 H new ATOM 99 N GLY A 7 0.781 -17.457 -4.901 1.00 0.00 N ATOM 100 CA GLY A 7 -0.617 -17.407 -5.305 1.00 0.00 C ATOM 101 C GLY A 7 -1.390 -16.244 -4.703 1.00 0.00 C ATOM 102 O GLY A 7 -2.159 -15.586 -5.403 1.00 0.00 O ATOM 0 H GLY A 7 1.042 -18.299 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.669 -17.342 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.102 -18.340 -5.018 1.00 0.00 H new ATOM 106 N ASN A 8 -1.186 -15.976 -3.412 1.00 0.00 N ATOM 107 CA ASN A 8 -1.891 -14.879 -2.719 1.00 0.00 C ATOM 108 C ASN A 8 -1.416 -13.517 -3.219 1.00 0.00 C ATOM 109 O ASN A 8 -2.047 -12.493 -2.973 1.00 0.00 O ATOM 110 CB ASN A 8 -1.666 -14.978 -1.203 1.00 0.00 C ATOM 111 CG ASN A 8 -2.046 -16.332 -0.636 1.00 0.00 C ATOM 112 OD1 ASN A 8 -1.216 -17.240 -0.568 1.00 0.00 O ATOM 113 ND2 ASN A 8 -3.288 -16.477 -0.220 1.00 0.00 N ATOM 0 H ASN A 8 -0.541 -16.499 -2.820 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.955 -14.976 -2.936 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.617 -14.779 -0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.249 -14.204 -0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.593 -17.366 0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.945 -15.700 -0.294 1.00 0.00 H new ATOM 120 N LEU A 9 -0.311 -13.524 -3.931 1.00 0.00 N ATOM 121 CA LEU A 9 0.262 -12.290 -4.438 1.00 0.00 C ATOM 122 C LEU A 9 -0.259 -11.943 -5.824 1.00 0.00 C ATOM 123 O LEU A 9 0.106 -10.912 -6.378 1.00 0.00 O ATOM 124 CB LEU A 9 1.790 -12.324 -4.441 1.00 0.00 C ATOM 125 CG LEU A 9 2.467 -12.383 -3.072 1.00 0.00 C ATOM 126 CD1 LEU A 9 3.980 -12.388 -3.228 1.00 0.00 C ATOM 127 CD2 LEU A 9 2.026 -11.217 -2.206 1.00 0.00 C ATOM 0 H LEU A 9 0.210 -14.367 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.058 -11.506 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.112 -13.190 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.151 -11.438 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 9 2.166 -13.308 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.447 -12.430 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.283 -13.258 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.296 -11.480 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.519 -11.277 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.296 -10.280 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.946 -11.255 -2.067 1.00 0.00 H new ATOM 139 N ALA A 10 -1.124 -12.791 -6.375 1.00 0.00 N ATOM 140 CA ALA A 10 -1.677 -12.561 -7.710 1.00 0.00 C ATOM 141 C ALA A 10 -2.420 -11.226 -7.779 1.00 0.00 C ATOM 142 O ALA A 10 -2.178 -10.412 -8.676 1.00 0.00 O ATOM 143 CB ALA A 10 -2.597 -13.709 -8.105 1.00 0.00 C ATOM 0 H ALA A 10 -1.457 -13.641 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.849 -12.517 -8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.002 -13.525 -9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.033 -14.642 -8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.415 -13.783 -7.389 1.00 0.00 H new ATOM 149 N ALA A 11 -3.324 -11.008 -6.833 1.00 0.00 N ATOM 150 CA ALA A 11 -4.068 -9.756 -6.757 1.00 0.00 C ATOM 151 C ALA A 11 -3.175 -8.620 -6.267 1.00 0.00 C ATOM 152 O ALA A 11 -3.296 -7.480 -6.715 1.00 0.00 O ATOM 153 CB ALA A 11 -5.283 -9.911 -5.855 1.00 0.00 C ATOM 0 H ALA A 11 -3.561 -11.683 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.413 -9.505 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.826 -8.967 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.936 -10.687 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.959 -10.191 -4.853 1.00 0.00 H new ATOM 159 N PHE A 12 -2.272 -8.959 -5.354 1.00 0.00 N ATOM 160 CA PHE A 12 -1.364 -7.982 -4.746 1.00 0.00 C ATOM 161 C PHE A 12 -0.512 -7.278 -5.823 1.00 0.00 C ATOM 162 O PHE A 12 -0.410 -6.052 -5.838 1.00 0.00 O ATOM 163 CB PHE A 12 -0.455 -8.690 -3.724 1.00 0.00 C ATOM 164 CG PHE A 12 0.436 -7.766 -2.936 1.00 0.00 C ATOM 165 CD1 PHE A 12 -0.003 -7.216 -1.742 1.00 0.00 C ATOM 166 CD2 PHE A 12 1.709 -7.450 -3.385 1.00 0.00 C ATOM 167 CE1 PHE A 12 0.809 -6.369 -1.013 1.00 0.00 C ATOM 168 CE2 PHE A 12 2.524 -6.605 -2.661 1.00 0.00 C ATOM 169 CZ PHE A 12 2.074 -6.064 -1.473 1.00 0.00 C ATOM 0 H PHE A 12 -2.146 -9.912 -5.013 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.957 -7.222 -4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.079 -9.252 -3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.168 -9.414 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.992 -7.452 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.067 -7.871 -4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.455 -5.946 -0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.513 -6.367 -3.023 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.711 -5.403 -0.904 1.00 0.00 H new ATOM 179 N LYS A 13 0.097 -8.070 -6.717 1.00 0.00 N ATOM 180 CA LYS A 13 0.912 -7.524 -7.828 1.00 0.00 C ATOM 181 C LYS A 13 0.163 -6.476 -8.660 1.00 0.00 C ATOM 182 O LYS A 13 0.761 -5.487 -9.093 1.00 0.00 O ATOM 183 CB LYS A 13 1.368 -8.655 -8.762 1.00 0.00 C ATOM 184 CG LYS A 13 2.220 -9.725 -8.103 1.00 0.00 C ATOM 185 CD LYS A 13 3.522 -9.165 -7.570 1.00 0.00 C ATOM 186 CE LYS A 13 4.345 -10.250 -6.901 1.00 0.00 C ATOM 187 NZ LYS A 13 4.743 -11.320 -7.853 1.00 0.00 N ATOM 0 H LYS A 13 0.045 -9.089 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 13 1.770 -7.037 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.486 -9.128 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.932 -8.220 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.661 -10.182 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.433 -10.514 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.093 -8.721 -8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.314 -8.368 -6.856 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.238 -9.807 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.771 -10.688 -6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.476 -11.916 -7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.914 -11.904 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.118 -10.889 -8.722 1.00 0.00 H new ATOM 201 N ALA A 14 -1.126 -6.682 -8.864 1.00 0.00 N ATOM 202 CA ALA A 14 -1.933 -5.784 -9.693 1.00 0.00 C ATOM 203 C ALA A 14 -1.964 -4.350 -9.142 1.00 0.00 C ATOM 204 O ALA A 14 -1.970 -3.383 -9.907 1.00 0.00 O ATOM 205 CB ALA A 14 -3.347 -6.325 -9.835 1.00 0.00 C ATOM 0 H ALA A 14 -1.645 -7.466 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.462 -5.742 -10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.935 -5.647 -10.454 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.315 -7.309 -10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.806 -6.407 -8.850 1.00 0.00 H new ATOM 211 N ALA A 15 -1.968 -4.221 -7.822 1.00 0.00 N ATOM 212 CA ALA A 15 -2.055 -2.910 -7.162 1.00 0.00 C ATOM 213 C ALA A 15 -0.857 -2.007 -7.490 1.00 0.00 C ATOM 214 O ALA A 15 -1.005 -0.786 -7.581 1.00 0.00 O ATOM 215 CB ALA A 15 -2.196 -3.083 -5.658 1.00 0.00 C ATOM 0 H ALA A 15 -1.912 -5.009 -7.177 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.944 -2.413 -7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.259 -2.104 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.101 -3.651 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.329 -3.619 -5.271 1.00 0.00 H new ATOM 221 N THR A 16 0.313 -2.616 -7.677 1.00 0.00 N ATOM 222 CA THR A 16 1.564 -1.897 -7.965 1.00 0.00 C ATOM 223 C THR A 16 1.430 -0.876 -9.119 1.00 0.00 C ATOM 224 O THR A 16 1.985 0.220 -9.046 1.00 0.00 O ATOM 225 CB THR A 16 2.673 -2.905 -8.336 1.00 0.00 C ATOM 226 OG1 THR A 16 2.637 -4.013 -7.424 1.00 0.00 O ATOM 227 CG2 THR A 16 4.045 -2.250 -8.277 1.00 0.00 C ATOM 0 H THR A 16 0.426 -3.629 -7.634 1.00 0.00 H new ATOM 0 HA THR A 16 1.814 -1.345 -7.059 1.00 0.00 H new ATOM 0 HB THR A 16 2.497 -3.252 -9.354 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.083 -4.729 -7.800 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.809 -2.981 -8.542 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.081 -1.417 -8.979 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.230 -1.883 -7.268 1.00 0.00 H new ATOM 235 N ASN A 17 0.693 -1.237 -10.164 1.00 0.00 N ATOM 236 CA ASN A 17 0.538 -0.368 -11.348 1.00 0.00 C ATOM 237 C ASN A 17 -0.067 1.002 -10.970 1.00 0.00 C ATOM 238 O ASN A 17 0.259 2.028 -11.575 1.00 0.00 O ATOM 239 CB ASN A 17 -0.324 -1.074 -12.412 1.00 0.00 C ATOM 240 CG ASN A 17 -0.490 -0.272 -13.695 1.00 0.00 C ATOM 241 OD1 ASN A 17 0.383 0.504 -14.077 1.00 0.00 O ATOM 242 ND2 ASN A 17 -1.609 -0.474 -14.375 1.00 0.00 N ATOM 0 H ASN A 17 0.190 -2.122 -10.225 1.00 0.00 H new ATOM 0 HA ASN A 17 1.528 -0.181 -11.764 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.127 -2.037 -12.652 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.309 -1.279 -11.992 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.771 0.024 -15.251 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.309 -1.127 -14.023 1.00 0.00 H new ATOM 249 N LYS A 18 -0.917 1.005 -9.943 1.00 0.00 N ATOM 250 CA LYS A 18 -1.586 2.225 -9.469 1.00 0.00 C ATOM 251 C LYS A 18 -0.609 3.196 -8.806 1.00 0.00 C ATOM 252 O LYS A 18 -0.741 4.413 -8.941 1.00 0.00 O ATOM 253 CB LYS A 18 -2.706 1.897 -8.480 1.00 0.00 C ATOM 254 CG LYS A 18 -3.909 1.189 -9.076 1.00 0.00 C ATOM 255 CD LYS A 18 -4.634 2.081 -10.071 1.00 0.00 C ATOM 256 CE LYS A 18 -5.900 1.423 -10.591 1.00 0.00 C ATOM 257 NZ LYS A 18 -5.622 0.149 -11.288 1.00 0.00 N ATOM 0 H LYS A 18 -1.163 0.167 -9.416 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.008 2.702 -10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.296 1.275 -7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.043 2.824 -8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.587 0.273 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.593 0.896 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.885 3.029 -9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.972 2.309 -10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.580 1.239 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.408 2.105 -11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.488 -0.187 -11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.879 0.298 -12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.303 -0.561 -10.599 1.00 0.00 H new ATOM 271 N LEU A 19 0.374 2.641 -8.097 1.00 0.00 N ATOM 272 CA LEU A 19 1.280 3.425 -7.248 1.00 0.00 C ATOM 273 C LEU A 19 2.013 4.516 -8.035 1.00 0.00 C ATOM 274 O LEU A 19 2.098 5.667 -7.587 1.00 0.00 O ATOM 275 CB LEU A 19 2.318 2.486 -6.617 1.00 0.00 C ATOM 276 CG LEU A 19 1.767 1.372 -5.717 1.00 0.00 C ATOM 277 CD1 LEU A 19 2.891 0.468 -5.243 1.00 0.00 C ATOM 278 CD2 LEU A 19 1.015 1.953 -4.527 1.00 0.00 C ATOM 0 H LEU A 19 0.567 1.639 -8.093 1.00 0.00 H new ATOM 0 HA LEU A 19 0.676 3.912 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.894 2.025 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.012 3.088 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 19 1.066 0.779 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.483 -0.317 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.383 0.017 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.616 1.054 -4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.635 1.142 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.690 2.575 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.181 2.558 -4.884 1.00 0.00 H new ATOM 290 N PHE A 20 2.534 4.163 -9.200 1.00 0.00 N ATOM 291 CA PHE A 20 3.248 5.125 -10.033 1.00 0.00 C ATOM 292 C PHE A 20 2.320 6.239 -10.512 1.00 0.00 C ATOM 293 O PHE A 20 2.690 7.415 -10.505 1.00 0.00 O ATOM 294 CB PHE A 20 3.914 4.435 -11.233 1.00 0.00 C ATOM 295 CG PHE A 20 4.789 5.358 -12.046 1.00 0.00 C ATOM 296 CD1 PHE A 20 6.102 5.595 -11.675 1.00 0.00 C ATOM 297 CD2 PHE A 20 4.292 5.995 -13.177 1.00 0.00 C ATOM 298 CE1 PHE A 20 6.903 6.447 -12.413 1.00 0.00 C ATOM 299 CE2 PHE A 20 5.089 6.847 -13.918 1.00 0.00 C ATOM 300 CZ PHE A 20 6.397 7.072 -13.535 1.00 0.00 C ATOM 0 H PHE A 20 2.478 3.223 -9.591 1.00 0.00 H new ATOM 0 HA PHE A 20 4.029 5.571 -9.417 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.515 3.599 -10.874 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.141 4.018 -11.878 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.505 5.109 -10.799 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.270 5.822 -13.481 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.925 6.624 -12.111 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.690 7.336 -14.795 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.023 7.736 -14.113 1.00 0.00 H new ATOM 310 N GLN A 21 1.109 5.854 -10.909 1.00 0.00 N ATOM 311 CA GLN A 21 0.137 6.786 -11.488 1.00 0.00 C ATOM 312 C GLN A 21 -0.420 7.781 -10.470 1.00 0.00 C ATOM 313 O GLN A 21 -1.106 8.730 -10.847 1.00 0.00 O ATOM 314 CB GLN A 21 -1.017 6.030 -12.149 1.00 0.00 C ATOM 315 CG GLN A 21 -0.598 5.152 -13.317 1.00 0.00 C ATOM 316 CD GLN A 21 0.048 5.943 -14.443 1.00 0.00 C ATOM 317 OE1 GLN A 21 -0.276 7.111 -14.668 1.00 0.00 O ATOM 318 NE2 GLN A 21 0.952 5.315 -15.159 1.00 0.00 N ATOM 0 H GLN A 21 0.773 4.893 -10.840 1.00 0.00 H new ATOM 0 HA GLN A 21 0.681 7.358 -12.239 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.506 5.409 -11.399 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.757 6.751 -12.498 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.101 4.394 -12.964 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.471 4.626 -13.703 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.193 4.348 -14.942 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.413 5.794 -15.932 1.00 0.00 H new ATOM 327 N LEU A 22 -0.151 7.573 -9.190 1.00 0.00 N ATOM 328 CA LEU A 22 -0.641 8.497 -8.176 1.00 0.00 C ATOM 329 C LEU A 22 0.529 9.305 -7.603 1.00 0.00 C ATOM 330 O LEU A 22 0.349 10.180 -6.751 1.00 0.00 O ATOM 331 CB LEU A 22 -1.383 7.728 -7.073 1.00 0.00 C ATOM 332 CG LEU A 22 -2.078 8.571 -5.996 1.00 0.00 C ATOM 333 CD1 LEU A 22 -3.124 9.487 -6.621 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.723 7.664 -4.965 1.00 0.00 C ATOM 0 H LEU A 22 0.393 6.788 -8.832 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.347 9.193 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.133 7.094 -7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.670 7.066 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.329 9.192 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.605 10.076 -5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.642 10.155 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.873 8.886 -7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.214 8.270 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.460 7.026 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.959 7.044 -4.497 1.00 0.00 H new ATOM 346 N ASP A 23 1.727 8.988 -8.099 1.00 0.00 N ATOM 347 CA ASP A 23 2.963 9.690 -7.745 1.00 0.00 C ATOM 348 C ASP A 23 3.324 9.549 -6.256 1.00 0.00 C ATOM 349 O ASP A 23 3.462 10.541 -5.532 1.00 0.00 O ATOM 350 CB ASP A 23 2.905 11.165 -8.169 1.00 0.00 C ATOM 351 CG ASP A 23 4.248 11.847 -8.070 1.00 0.00 C ATOM 352 OD1 ASP A 23 5.205 11.381 -8.724 1.00 0.00 O ATOM 353 OD2 ASP A 23 4.364 12.844 -7.334 1.00 0.00 O ATOM 0 H ASP A 23 1.868 8.228 -8.765 1.00 0.00 H new ATOM 0 HA ASP A 23 3.765 9.207 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.542 11.231 -9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.186 11.692 -7.542 1.00 0.00 H new ATOM 358 N LEU A 24 3.466 8.313 -5.802 1.00 0.00 N ATOM 359 CA LEU A 24 3.852 8.049 -4.416 1.00 0.00 C ATOM 360 C LEU A 24 4.867 6.908 -4.338 1.00 0.00 C ATOM 361 O LEU A 24 5.192 6.292 -5.357 1.00 0.00 O ATOM 362 CB LEU A 24 2.616 7.781 -3.525 1.00 0.00 C ATOM 363 CG LEU A 24 1.594 6.747 -4.029 1.00 0.00 C ATOM 364 CD1 LEU A 24 2.146 5.334 -3.961 1.00 0.00 C ATOM 365 CD2 LEU A 24 0.308 6.851 -3.228 1.00 0.00 C ATOM 0 H LEU A 24 3.321 7.477 -6.368 1.00 0.00 H new ATOM 0 HA LEU A 24 4.336 8.945 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.970 7.457 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.095 8.727 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 24 1.384 6.968 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.396 4.632 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.040 5.263 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.399 5.091 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.408 6.115 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.519 6.662 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.111 7.851 -3.340 1.00 0.00 H new ATOM 377 N ALA A 25 5.373 6.637 -3.141 1.00 0.00 N ATOM 378 CA ALA A 25 6.352 5.583 -2.942 1.00 0.00 C ATOM 379 C ALA A 25 6.010 4.767 -1.700 1.00 0.00 C ATOM 380 O ALA A 25 5.428 5.288 -0.748 1.00 0.00 O ATOM 381 CB ALA A 25 7.751 6.174 -2.822 1.00 0.00 C ATOM 0 H ALA A 25 5.117 7.138 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 25 6.329 4.921 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.473 5.371 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.996 6.718 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.786 6.856 -1.972 1.00 0.00 H new ATOM 387 N VAL A 26 6.368 3.492 -1.714 1.00 0.00 N ATOM 388 CA VAL A 26 6.087 2.597 -0.598 1.00 0.00 C ATOM 389 C VAL A 26 7.204 1.565 -0.441 1.00 0.00 C ATOM 390 O VAL A 26 7.702 1.022 -1.433 1.00 0.00 O ATOM 391 CB VAL A 26 4.712 1.870 -0.759 1.00 0.00 C ATOM 392 CG1 VAL A 26 4.581 1.236 -2.133 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.520 0.813 0.326 1.00 0.00 C ATOM 0 H VAL A 26 6.858 3.050 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 26 6.035 3.213 0.299 1.00 0.00 H new ATOM 0 HB VAL A 26 3.932 2.624 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.614 0.739 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.657 2.008 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.378 0.506 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.556 0.323 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.316 0.072 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.550 1.288 1.306 1.00 0.00 H new ATOM 403 N ILE A 27 7.608 1.311 0.794 1.00 0.00 N ATOM 404 CA ILE A 27 8.632 0.318 1.081 1.00 0.00 C ATOM 405 C ILE A 27 8.220 -0.553 2.267 1.00 0.00 C ATOM 406 O ILE A 27 7.657 -0.064 3.250 1.00 0.00 O ATOM 407 CB ILE A 27 10.016 0.963 1.377 1.00 0.00 C ATOM 408 CG1 ILE A 27 9.922 1.946 2.552 1.00 0.00 C ATOM 409 CG2 ILE A 27 10.574 1.647 0.135 1.00 0.00 C ATOM 410 CD1 ILE A 27 11.262 2.484 3.012 1.00 0.00 C ATOM 0 H ILE A 27 7.239 1.783 1.620 1.00 0.00 H new ATOM 0 HA ILE A 27 8.729 -0.296 0.185 1.00 0.00 H new ATOM 0 HB ILE A 27 10.706 0.168 1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.286 2.782 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.434 1.449 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.542 2.090 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.693 0.913 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.886 2.428 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.112 3.171 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.895 1.657 3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.744 3.011 2.189 1.00 0.00 H new ATOM 422 N TYR A 28 8.459 -1.841 2.153 1.00 0.00 N ATOM 423 CA TYR A 28 8.165 -2.752 3.246 1.00 0.00 C ATOM 424 C TYR A 28 9.443 -3.338 3.828 1.00 0.00 C ATOM 425 O TYR A 28 10.455 -3.466 3.134 1.00 0.00 O ATOM 426 CB TYR A 28 7.202 -3.868 2.803 1.00 0.00 C ATOM 427 CG TYR A 28 7.758 -4.829 1.763 1.00 0.00 C ATOM 428 CD1 TYR A 28 7.726 -4.519 0.405 1.00 0.00 C ATOM 429 CD2 TYR A 28 8.297 -6.055 2.141 1.00 0.00 C ATOM 430 CE1 TYR A 28 8.219 -5.404 -0.540 1.00 0.00 C ATOM 431 CE2 TYR A 28 8.787 -6.942 1.201 1.00 0.00 C ATOM 432 CZ TYR A 28 8.747 -6.613 -0.135 1.00 0.00 C ATOM 433 OH TYR A 28 9.228 -7.502 -1.073 1.00 0.00 O ATOM 0 H TYR A 28 8.853 -2.282 1.322 1.00 0.00 H new ATOM 0 HA TYR A 28 7.669 -2.177 4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.906 -4.441 3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.298 -3.408 2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.311 -3.575 0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.333 -6.318 3.188 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.190 -5.149 -1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.200 -7.890 1.514 1.00 0.00 H new ATOM 0 HH TYR A 28 9.851 -7.040 -1.672 1.00 0.00 H new ATOM 443 N ASP A 29 9.393 -3.681 5.099 1.00 0.00 N ATOM 444 CA ASP A 29 10.549 -4.222 5.798 1.00 0.00 C ATOM 445 C ASP A 29 10.216 -5.583 6.398 1.00 0.00 C ATOM 446 O ASP A 29 9.270 -5.716 7.182 1.00 0.00 O ATOM 447 CB ASP A 29 11.010 -3.246 6.890 1.00 0.00 C ATOM 448 CG ASP A 29 12.231 -3.732 7.643 1.00 0.00 C ATOM 449 OD1 ASP A 29 13.310 -3.854 7.025 1.00 0.00 O ATOM 450 OD2 ASP A 29 12.125 -3.955 8.866 1.00 0.00 O ATOM 0 H ASP A 29 8.557 -3.595 5.677 1.00 0.00 H new ATOM 0 HA ASP A 29 11.363 -4.353 5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.231 -2.280 6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.194 -3.088 7.596 1.00 0.00 H new ATOM 455 N ASP A 30 10.983 -6.587 6.006 1.00 0.00 N ATOM 456 CA ASP A 30 10.771 -7.963 6.451 1.00 0.00 C ATOM 457 C ASP A 30 12.072 -8.758 6.395 1.00 0.00 C ATOM 458 O ASP A 30 12.834 -8.622 5.431 1.00 0.00 O ATOM 459 CB ASP A 30 9.701 -8.640 5.578 1.00 0.00 C ATOM 460 CG ASP A 30 9.775 -10.157 5.616 1.00 0.00 C ATOM 461 OD1 ASP A 30 9.515 -10.744 6.676 1.00 0.00 O ATOM 462 OD2 ASP A 30 10.096 -10.767 4.569 1.00 0.00 O ATOM 0 H ASP A 30 11.772 -6.475 5.370 1.00 0.00 H new ATOM 0 HA ASP A 30 10.427 -7.940 7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.713 -8.322 5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.814 -8.302 4.548 1.00 0.00 H new ATOM 467 N TRP A 31 12.343 -9.533 7.477 1.00 0.00 N ATOM 468 CA TRP A 31 13.502 -10.454 7.587 1.00 0.00 C ATOM 469 C TRP A 31 14.660 -9.775 8.317 1.00 0.00 C ATOM 470 O TRP A 31 15.684 -10.384 8.608 1.00 0.00 O ATOM 471 CB TRP A 31 13.934 -11.043 6.213 1.00 0.00 C ATOM 472 CG TRP A 31 15.043 -12.057 6.290 1.00 0.00 C ATOM 473 CD1 TRP A 31 16.335 -11.896 5.866 1.00 0.00 C ATOM 474 CD2 TRP A 31 14.963 -13.384 6.829 1.00 0.00 C ATOM 475 NE1 TRP A 31 17.053 -13.041 6.103 1.00 0.00 N ATOM 476 CE2 TRP A 31 16.237 -13.967 6.693 1.00 0.00 C ATOM 477 CE3 TRP A 31 13.937 -14.137 7.412 1.00 0.00 C ATOM 478 CZ2 TRP A 31 16.514 -15.265 7.117 1.00 0.00 C ATOM 479 CZ3 TRP A 31 14.216 -15.424 7.833 1.00 0.00 C ATOM 480 CH2 TRP A 31 15.493 -15.974 7.684 1.00 0.00 C ATOM 0 H TRP A 31 11.753 -9.535 8.309 1.00 0.00 H new ATOM 0 HA TRP A 31 13.185 -11.309 8.184 1.00 0.00 H new ATOM 0 HB2 TRP A 31 13.067 -11.506 5.742 1.00 0.00 H new ATOM 0 HB3 TRP A 31 14.250 -10.226 5.565 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.731 -11.000 5.412 1.00 0.00 H new ATOM 0 HE1 TRP A 31 18.038 -13.180 5.876 1.00 0.00 H new ATOM 0 HE3 TRP A 31 12.947 -13.721 7.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.498 -15.694 7.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 13.433 -16.015 8.285 1.00 0.00 H new ATOM 0 HH2 TRP A 31 15.676 -16.982 8.025 1.00 0.00 H new ATOM 491 N TYR A 32 14.469 -8.513 8.644 1.00 0.00 N ATOM 492 CA TYR A 32 15.464 -7.761 9.377 1.00 0.00 C ATOM 493 C TYR A 32 14.896 -7.326 10.724 1.00 0.00 C ATOM 494 O TYR A 32 13.798 -6.771 10.790 1.00 0.00 O ATOM 495 CB TYR A 32 15.917 -6.544 8.569 1.00 0.00 C ATOM 496 CG TYR A 32 16.601 -6.896 7.265 1.00 0.00 C ATOM 497 CD1 TYR A 32 15.865 -7.090 6.101 1.00 0.00 C ATOM 498 CD2 TYR A 32 17.979 -7.040 7.198 1.00 0.00 C ATOM 499 CE1 TYR A 32 16.482 -7.416 4.912 1.00 0.00 C ATOM 500 CE2 TYR A 32 18.606 -7.365 6.011 1.00 0.00 C ATOM 501 CZ TYR A 32 17.856 -7.552 4.873 1.00 0.00 C ATOM 502 OH TYR A 32 18.480 -7.871 3.686 1.00 0.00 O ATOM 0 H TYR A 32 13.628 -7.985 8.411 1.00 0.00 H new ATOM 0 HA TYR A 32 16.331 -8.398 9.549 1.00 0.00 H new ATOM 0 HB2 TYR A 32 15.051 -5.918 8.356 1.00 0.00 H new ATOM 0 HB3 TYR A 32 16.599 -5.949 9.177 1.00 0.00 H new ATOM 0 HD1 TYR A 32 14.791 -6.983 6.129 1.00 0.00 H new ATOM 0 HD2 TYR A 32 18.572 -6.896 8.089 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.895 -7.564 4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.680 -7.472 5.976 1.00 0.00 H new ATOM 0 HH TYR A 32 18.049 -7.388 2.950 1.00 0.00 H new ATOM 512 N ASP A 33 15.643 -7.578 11.785 1.00 0.00 N ATOM 513 CA ASP A 33 15.212 -7.233 13.138 1.00 0.00 C ATOM 514 C ASP A 33 16.427 -6.974 14.022 1.00 0.00 C ATOM 515 O ASP A 33 17.554 -7.287 13.631 1.00 0.00 O ATOM 516 CB ASP A 33 14.351 -8.367 13.735 1.00 0.00 C ATOM 517 CG ASP A 33 13.805 -8.029 15.113 1.00 0.00 C ATOM 518 OD1 ASP A 33 12.863 -7.220 15.204 1.00 0.00 O ATOM 519 OD2 ASP A 33 14.326 -8.564 16.111 1.00 0.00 O ATOM 0 H ASP A 33 16.559 -8.024 11.739 1.00 0.00 H new ATOM 0 HA ASP A 33 14.608 -6.327 13.092 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.520 -8.579 13.062 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.949 -9.276 13.799 1.00 0.00 H new ATOM 524 N ALA A 34 16.200 -6.388 15.193 1.00 0.00 N ATOM 525 CA ALA A 34 17.268 -6.097 16.129 1.00 0.00 C ATOM 526 C ALA A 34 17.731 -7.363 16.874 1.00 0.00 C ATOM 527 O ALA A 34 18.239 -8.303 16.258 1.00 0.00 O ATOM 528 CB ALA A 34 16.832 -5.015 17.108 1.00 0.00 C ATOM 0 H ALA A 34 15.274 -6.105 15.514 1.00 0.00 H new ATOM 0 HA ALA A 34 18.122 -5.728 15.561 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.644 -4.807 17.805 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.583 -4.107 16.559 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.957 -5.356 17.661 1.00 0.00 H new ATOM 534 N TYR A 35 17.551 -7.399 18.186 1.00 0.00 N ATOM 535 CA TYR A 35 18.025 -8.518 18.987 1.00 0.00 C ATOM 536 C TYR A 35 16.926 -9.566 19.234 1.00 0.00 C ATOM 537 O TYR A 35 17.220 -10.710 19.581 1.00 0.00 O ATOM 538 CB TYR A 35 18.579 -7.986 20.324 1.00 0.00 C ATOM 539 CG TYR A 35 19.011 -9.054 21.311 1.00 0.00 C ATOM 540 CD1 TYR A 35 20.199 -9.750 21.143 1.00 0.00 C ATOM 541 CD2 TYR A 35 18.225 -9.356 22.418 1.00 0.00 C ATOM 542 CE1 TYR A 35 20.592 -10.719 22.048 1.00 0.00 C ATOM 543 CE2 TYR A 35 18.609 -10.321 23.325 1.00 0.00 C ATOM 544 CZ TYR A 35 19.792 -11.000 23.135 1.00 0.00 C ATOM 545 OH TYR A 35 20.179 -11.965 24.041 1.00 0.00 O ATOM 0 H TYR A 35 17.081 -6.667 18.718 1.00 0.00 H new ATOM 0 HA TYR A 35 18.817 -9.021 18.432 1.00 0.00 H new ATOM 0 HB2 TYR A 35 19.432 -7.340 20.115 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.816 -7.365 20.794 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.827 -9.532 20.292 1.00 0.00 H new ATOM 0 HD2 TYR A 35 17.297 -8.825 22.570 1.00 0.00 H new ATOM 0 HE1 TYR A 35 21.520 -11.252 21.904 1.00 0.00 H new ATOM 0 HE2 TYR A 35 17.986 -10.543 24.179 1.00 0.00 H new ATOM 0 HH TYR A 35 19.504 -12.039 24.748 1.00 0.00 H new ATOM 555 N THR A 36 15.672 -9.191 19.030 1.00 0.00 N ATOM 556 CA THR A 36 14.565 -10.085 19.351 1.00 0.00 C ATOM 557 C THR A 36 14.411 -11.235 18.346 1.00 0.00 C ATOM 558 O THR A 36 13.988 -12.336 18.720 1.00 0.00 O ATOM 559 CB THR A 36 13.238 -9.318 19.492 1.00 0.00 C ATOM 560 OG1 THR A 36 13.039 -8.445 18.369 1.00 0.00 O ATOM 561 CG2 THR A 36 13.224 -8.505 20.778 1.00 0.00 C ATOM 0 H THR A 36 15.396 -8.286 18.649 1.00 0.00 H new ATOM 0 HA THR A 36 14.815 -10.530 20.314 1.00 0.00 H new ATOM 0 HB THR A 36 12.429 -10.047 19.524 1.00 0.00 H new ATOM 0 HG1 THR A 36 13.578 -8.757 17.612 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.278 -7.970 20.860 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.338 -9.173 21.632 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.046 -7.789 20.765 1.00 0.00 H new ATOM 569 N ARG A 37 14.747 -10.971 17.078 1.00 0.00 N ATOM 570 CA ARG A 37 14.657 -11.975 16.009 1.00 0.00 C ATOM 571 C ARG A 37 13.241 -12.551 15.901 1.00 0.00 C ATOM 572 O ARG A 37 13.026 -13.756 16.088 1.00 0.00 O ATOM 573 CB ARG A 37 15.681 -13.100 16.220 1.00 0.00 C ATOM 574 CG ARG A 37 17.125 -12.679 16.009 1.00 0.00 C ATOM 575 CD ARG A 37 18.084 -13.819 16.323 1.00 0.00 C ATOM 576 NE ARG A 37 17.813 -15.005 15.503 1.00 0.00 N ATOM 577 CZ ARG A 37 18.588 -15.441 14.506 1.00 0.00 C ATOM 578 NH1 ARG A 37 19.689 -14.777 14.170 1.00 0.00 N ATOM 579 NH2 ARG A 37 18.255 -16.541 13.837 1.00 0.00 N ATOM 0 H ARG A 37 15.087 -10.062 16.764 1.00 0.00 H new ATOM 0 HA ARG A 37 14.889 -11.473 15.070 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.572 -13.489 17.232 1.00 0.00 H new ATOM 0 HB3 ARG A 37 15.450 -13.918 15.538 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.265 -12.357 14.977 1.00 0.00 H new ATOM 0 HG3 ARG A 37 17.353 -11.823 16.644 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.109 -13.488 16.155 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.003 -14.081 17.378 1.00 0.00 H new ATOM 0 HE ARG A 37 16.968 -15.538 15.710 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.947 -13.929 14.674 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.276 -15.116 13.408 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.408 -17.052 14.085 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.847 -16.874 13.076 1.00 0.00 H new ATOM 593 N LYS A 38 12.282 -11.689 15.605 1.00 0.00 N ATOM 594 CA LYS A 38 10.893 -12.101 15.501 1.00 0.00 C ATOM 595 C LYS A 38 10.301 -11.689 14.152 1.00 0.00 C ATOM 596 O LYS A 38 10.563 -10.590 13.661 1.00 0.00 O ATOM 597 CB LYS A 38 10.074 -11.502 16.654 1.00 0.00 C ATOM 598 CG LYS A 38 8.643 -12.038 16.776 1.00 0.00 C ATOM 599 CD LYS A 38 8.556 -13.347 17.580 1.00 0.00 C ATOM 600 CE LYS A 38 9.249 -14.513 16.884 1.00 0.00 C ATOM 601 NZ LYS A 38 8.982 -15.804 17.566 1.00 0.00 N ATOM 0 H LYS A 38 12.441 -10.696 15.432 1.00 0.00 H new ATOM 0 HA LYS A 38 10.851 -13.188 15.570 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.599 -11.692 17.590 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.032 -10.420 16.527 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.018 -11.283 17.253 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.237 -12.204 15.778 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.006 -13.196 18.561 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.508 -13.598 17.745 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.909 -14.572 15.850 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.324 -14.332 16.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.471 -16.571 17.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.329 -15.758 18.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.959 -15.990 17.570 1.00 0.00 H new ATOM 615 N ASP A 39 9.511 -12.585 13.563 1.00 0.00 N ATOM 616 CA ASP A 39 8.873 -12.333 12.273 1.00 0.00 C ATOM 617 C ASP A 39 7.829 -11.227 12.392 1.00 0.00 C ATOM 618 O ASP A 39 7.090 -11.163 13.384 1.00 0.00 O ATOM 619 CB ASP A 39 8.203 -13.611 11.742 1.00 0.00 C ATOM 620 CG ASP A 39 9.181 -14.738 11.473 1.00 0.00 C ATOM 621 OD1 ASP A 39 9.960 -14.644 10.503 1.00 0.00 O ATOM 622 OD2 ASP A 39 9.171 -15.738 12.236 1.00 0.00 O ATOM 0 H ASP A 39 9.297 -13.499 13.963 1.00 0.00 H new ATOM 0 HA ASP A 39 9.648 -12.017 11.575 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.460 -13.950 12.464 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.669 -13.376 10.821 1.00 0.00 H new ATOM 627 N CYS A 40 7.773 -10.361 11.390 1.00 0.00 N ATOM 628 CA CYS A 40 6.820 -9.257 11.366 1.00 0.00 C ATOM 629 C CYS A 40 6.720 -8.658 9.958 1.00 0.00 C ATOM 630 O CYS A 40 7.613 -8.844 9.133 1.00 0.00 O ATOM 631 CB CYS A 40 7.216 -8.179 12.393 1.00 0.00 C ATOM 632 SG CYS A 40 8.921 -7.589 12.249 1.00 0.00 S ATOM 0 H CYS A 40 8.383 -10.402 10.574 1.00 0.00 H new ATOM 0 HA CYS A 40 5.838 -9.644 11.639 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.541 -7.329 12.286 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.068 -8.580 13.396 1.00 0.00 H new ATOM 0 HG CYS A 40 9.332 -7.745 11.026 1.00 0.00 H new ATOM 638 N ILE A 41 5.622 -7.957 9.686 1.00 0.00 N ATOM 639 CA ILE A 41 5.408 -7.322 8.383 1.00 0.00 C ATOM 640 C ILE A 41 5.237 -5.818 8.583 1.00 0.00 C ATOM 641 O ILE A 41 4.213 -5.371 9.107 1.00 0.00 O ATOM 642 CB ILE A 41 4.142 -7.890 7.674 1.00 0.00 C ATOM 643 CG1 ILE A 41 4.267 -9.410 7.437 1.00 0.00 C ATOM 644 CG2 ILE A 41 3.897 -7.166 6.349 1.00 0.00 C ATOM 645 CD1 ILE A 41 5.370 -9.802 6.471 1.00 0.00 C ATOM 0 H ILE A 41 4.863 -7.813 10.352 1.00 0.00 H new ATOM 0 HA ILE A 41 6.274 -7.530 7.754 1.00 0.00 H new ATOM 0 HB ILE A 41 3.289 -7.719 8.331 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.446 -9.902 8.393 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.317 -9.786 7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.009 -7.577 5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.749 -6.103 6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.759 -7.302 5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.389 -10.886 6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.184 -9.342 5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.330 -9.459 6.857 1.00 0.00 H new ATOM 657 N ARG A 42 6.247 -5.040 8.211 1.00 0.00 N ATOM 658 CA ARG A 42 6.190 -3.593 8.384 1.00 0.00 C ATOM 659 C ARG A 42 6.001 -2.893 7.027 1.00 0.00 C ATOM 660 O ARG A 42 6.769 -3.129 6.096 1.00 0.00 O ATOM 661 CB ARG A 42 7.495 -3.125 9.027 1.00 0.00 C ATOM 662 CG ARG A 42 7.824 -3.860 10.322 1.00 0.00 C ATOM 663 CD ARG A 42 9.155 -3.418 10.905 1.00 0.00 C ATOM 664 NE ARG A 42 9.562 -4.274 12.023 1.00 0.00 N ATOM 665 CZ ARG A 42 10.669 -4.096 12.750 1.00 0.00 C ATOM 666 NH1 ARG A 42 11.458 -3.054 12.522 1.00 0.00 N ATOM 667 NH2 ARG A 42 10.981 -4.963 13.705 1.00 0.00 N ATOM 0 H ARG A 42 7.110 -5.384 7.790 1.00 0.00 H new ATOM 0 HA ARG A 42 5.343 -3.339 9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.312 -3.266 8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.430 -2.056 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.033 -3.683 11.050 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.849 -4.933 10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.920 -3.443 10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.080 -2.385 11.245 1.00 0.00 H new ATOM 0 HE ARG A 42 8.958 -5.060 12.263 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.220 -2.385 11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.302 -2.922 13.079 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.376 -5.765 13.884 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.826 -4.828 14.260 1.00 0.00 H new ATOM 681 N LEU A 43 4.983 -2.042 6.925 1.00 0.00 N ATOM 682 CA LEU A 43 4.712 -1.302 5.687 1.00 0.00 C ATOM 683 C LEU A 43 4.900 0.216 5.926 1.00 0.00 C ATOM 684 O LEU A 43 4.306 0.780 6.853 1.00 0.00 O ATOM 685 CB LEU A 43 3.270 -1.599 5.219 1.00 0.00 C ATOM 686 CG LEU A 43 2.879 -1.094 3.827 1.00 0.00 C ATOM 687 CD1 LEU A 43 3.669 -1.828 2.749 1.00 0.00 C ATOM 688 CD2 LEU A 43 1.385 -1.269 3.603 1.00 0.00 C ATOM 0 H LEU A 43 4.330 -1.845 7.683 1.00 0.00 H new ATOM 0 HA LEU A 43 5.411 -1.618 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.120 -2.678 5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.581 -1.165 5.944 1.00 0.00 H new ATOM 0 HG LEU A 43 3.118 -0.032 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.377 -1.456 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.735 -1.658 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.460 -2.896 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.121 -0.906 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.126 -2.325 3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.836 -0.702 4.354 1.00 0.00 H new ATOM 700 N ARG A 44 5.738 0.863 5.113 1.00 0.00 N ATOM 701 CA ARG A 44 6.018 2.298 5.279 1.00 0.00 C ATOM 702 C ARG A 44 5.785 3.085 3.969 1.00 0.00 C ATOM 703 O ARG A 44 6.177 2.643 2.886 1.00 0.00 O ATOM 704 CB ARG A 44 7.462 2.480 5.764 1.00 0.00 C ATOM 705 CG ARG A 44 7.853 3.914 6.072 1.00 0.00 C ATOM 706 CD ARG A 44 9.301 3.997 6.529 1.00 0.00 C ATOM 707 NE ARG A 44 9.530 3.259 7.781 1.00 0.00 N ATOM 708 CZ ARG A 44 10.738 2.914 8.243 1.00 0.00 C ATOM 709 NH1 ARG A 44 11.837 3.268 7.582 1.00 0.00 N ATOM 710 NH2 ARG A 44 10.840 2.222 9.369 1.00 0.00 N ATOM 0 H ARG A 44 6.233 0.423 4.337 1.00 0.00 H new ATOM 0 HA ARG A 44 5.327 2.698 6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.608 1.878 6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.138 2.089 5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.712 4.532 5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.200 4.315 6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.950 3.598 5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.577 5.042 6.669 1.00 0.00 H new ATOM 0 HE ARG A 44 8.715 2.993 8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.762 3.805 6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.755 3.002 7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.999 1.954 9.881 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.759 1.958 9.724 1.00 0.00 H new ATOM 724 N ILE A 45 5.136 4.249 4.090 1.00 0.00 N ATOM 725 CA ILE A 45 4.825 5.126 2.947 1.00 0.00 C ATOM 726 C ILE A 45 5.572 6.461 3.125 1.00 0.00 C ATOM 727 O ILE A 45 5.592 7.004 4.238 1.00 0.00 O ATOM 728 CB ILE A 45 3.303 5.443 2.907 1.00 0.00 C ATOM 729 CG1 ILE A 45 2.466 4.157 2.947 1.00 0.00 C ATOM 730 CG2 ILE A 45 2.961 6.256 1.661 1.00 0.00 C ATOM 731 CD1 ILE A 45 2.624 3.272 1.737 1.00 0.00 C ATOM 0 H ILE A 45 4.809 4.613 4.985 1.00 0.00 H new ATOM 0 HA ILE A 45 5.125 4.621 2.029 1.00 0.00 H new ATOM 0 HB ILE A 45 3.061 6.032 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.739 3.588 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.415 4.426 3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.892 6.470 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.518 7.193 1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.228 5.687 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.998 2.387 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.322 3.819 0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.667 2.969 1.642 1.00 0.00 H new ATOM 743 N GLU A 46 6.160 7.014 2.056 1.00 0.00 N ATOM 744 CA GLU A 46 6.916 8.262 2.174 1.00 0.00 C ATOM 745 C GLU A 46 7.018 8.969 0.812 1.00 0.00 C ATOM 746 O GLU A 46 6.614 8.414 -0.218 1.00 0.00 O ATOM 747 CB GLU A 46 8.321 8.005 2.750 1.00 0.00 C ATOM 748 CG GLU A 46 9.193 7.104 1.892 1.00 0.00 C ATOM 749 CD GLU A 46 10.564 6.881 2.494 1.00 0.00 C ATOM 750 OE1 GLU A 46 10.718 5.948 3.302 1.00 0.00 O ATOM 751 OE2 GLU A 46 11.501 7.642 2.154 1.00 0.00 O ATOM 0 H GLU A 46 6.127 6.622 1.115 1.00 0.00 H new ATOM 0 HA GLU A 46 6.378 8.913 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.827 8.961 2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.219 7.558 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.697 6.142 1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.302 7.545 0.901 1.00 0.00 H new ATOM 758 N ASP A 47 7.541 10.196 0.825 1.00 0.00 N ATOM 759 CA ASP A 47 7.731 10.993 -0.397 1.00 0.00 C ATOM 760 C ASP A 47 9.097 10.645 -1.042 1.00 0.00 C ATOM 761 O ASP A 47 9.662 9.584 -0.768 1.00 0.00 O ATOM 762 CB ASP A 47 7.643 12.501 -0.042 1.00 0.00 C ATOM 763 CG ASP A 47 7.740 13.427 -1.243 1.00 0.00 C ATOM 764 OD1 ASP A 47 6.796 13.479 -2.049 1.00 0.00 O ATOM 765 OD2 ASP A 47 8.793 14.100 -1.389 1.00 0.00 O ATOM 0 H ASP A 47 7.845 10.667 1.677 1.00 0.00 H new ATOM 0 HA ASP A 47 6.949 10.762 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.700 12.688 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.442 12.746 0.658 1.00 0.00 H new ATOM 770 N ARG A 48 9.624 11.526 -1.895 1.00 0.00 N ATOM 771 CA ARG A 48 10.888 11.275 -2.539 1.00 0.00 C ATOM 772 C ARG A 48 11.977 12.069 -1.813 1.00 0.00 C ATOM 773 O ARG A 48 13.115 11.629 -1.689 1.00 0.00 O ATOM 774 CB ARG A 48 10.859 11.654 -4.044 1.00 0.00 C ATOM 775 CG ARG A 48 10.818 13.155 -4.322 1.00 0.00 C ATOM 776 CD ARG A 48 9.400 13.698 -4.371 1.00 0.00 C ATOM 777 NE ARG A 48 8.747 13.414 -5.643 1.00 0.00 N ATOM 778 CZ ARG A 48 7.430 13.436 -5.840 1.00 0.00 C ATOM 779 NH1 ARG A 48 6.589 13.613 -4.819 1.00 0.00 N ATOM 780 NH2 ARG A 48 6.950 13.265 -7.059 1.00 0.00 N ATOM 0 H ARG A 48 9.187 12.413 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 48 11.099 10.207 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.740 11.232 -4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.988 11.189 -4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.378 13.680 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.315 13.360 -5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.817 13.262 -3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.419 14.775 -4.207 1.00 0.00 H new ATOM 0 HE ARG A 48 9.341 13.182 -6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.953 13.734 -3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.583 13.628 -4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.587 13.117 -7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.942 13.281 -7.217 1.00 0.00 H new ATOM 794 N SER A 49 11.594 13.263 -1.344 1.00 0.00 N ATOM 795 CA SER A 49 12.517 14.184 -0.710 1.00 0.00 C ATOM 796 C SER A 49 12.681 13.900 0.787 1.00 0.00 C ATOM 797 O SER A 49 13.800 13.700 1.263 1.00 0.00 O ATOM 798 CB SER A 49 12.033 15.622 -0.938 1.00 0.00 C ATOM 799 OG SER A 49 12.980 16.575 -0.490 1.00 0.00 O ATOM 0 H SER A 49 10.636 13.608 -1.398 1.00 0.00 H new ATOM 0 HA SER A 49 13.499 14.048 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.838 15.775 -1.999 1.00 0.00 H new ATOM 0 HB3 SER A 49 11.089 15.775 -0.415 1.00 0.00 H new ATOM 0 HG SER A 49 12.637 17.478 -0.653 1.00 0.00 H new ATOM 805 N GLY A 50 11.575 13.883 1.529 1.00 0.00 N ATOM 806 CA GLY A 50 11.682 13.644 2.960 1.00 0.00 C ATOM 807 C GLY A 50 10.350 13.533 3.682 1.00 0.00 C ATOM 808 O GLY A 50 10.256 12.834 4.693 1.00 0.00 O ATOM 0 H GLY A 50 10.629 14.027 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.246 12.725 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.258 14.454 3.409 1.00 0.00 H new ATOM 812 N ASN A 51 9.328 14.243 3.195 1.00 0.00 N ATOM 813 CA ASN A 51 8.000 14.205 3.836 1.00 0.00 C ATOM 814 C ASN A 51 7.479 12.775 3.980 1.00 0.00 C ATOM 815 O ASN A 51 7.171 12.109 2.998 1.00 0.00 O ATOM 816 CB ASN A 51 6.969 15.062 3.074 1.00 0.00 C ATOM 817 CG ASN A 51 7.221 16.557 3.197 1.00 0.00 C ATOM 818 OD1 ASN A 51 7.852 17.021 4.145 1.00 0.00 O ATOM 819 ND2 ASN A 51 6.725 17.323 2.246 1.00 0.00 N ATOM 0 H ASN A 51 9.387 14.843 2.373 1.00 0.00 H new ATOM 0 HA ASN A 51 8.130 14.628 4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.983 14.784 2.020 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.971 14.837 3.450 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.860 18.333 2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.206 16.905 1.473 1.00 0.00 H new ATOM 826 N LEU A 52 7.401 12.315 5.214 1.00 0.00 N ATOM 827 CA LEU A 52 6.890 10.985 5.502 1.00 0.00 C ATOM 828 C LEU A 52 5.370 11.008 5.459 1.00 0.00 C ATOM 829 O LEU A 52 4.747 11.973 5.898 1.00 0.00 O ATOM 830 CB LEU A 52 7.386 10.467 6.873 1.00 0.00 C ATOM 831 CG LEU A 52 6.931 11.245 8.131 1.00 0.00 C ATOM 832 CD1 LEU A 52 7.105 10.387 9.373 1.00 0.00 C ATOM 833 CD2 LEU A 52 7.710 12.547 8.291 1.00 0.00 C ATOM 0 H LEU A 52 7.686 12.844 6.038 1.00 0.00 H new ATOM 0 HA LEU A 52 7.267 10.300 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.061 9.432 6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.476 10.459 6.857 1.00 0.00 H new ATOM 0 HG LEU A 52 5.876 11.491 8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.781 10.947 10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.504 9.483 9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.155 10.115 9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.366 13.069 9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.773 12.326 8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.548 13.178 7.417 1.00 0.00 H new ATOM 845 N ILE A 53 4.772 9.962 4.926 1.00 0.00 N ATOM 846 CA ILE A 53 3.329 9.930 4.787 1.00 0.00 C ATOM 847 C ILE A 53 2.670 9.155 5.929 1.00 0.00 C ATOM 848 O ILE A 53 1.897 9.725 6.695 1.00 0.00 O ATOM 849 CB ILE A 53 2.895 9.340 3.425 1.00 0.00 C ATOM 850 CG1 ILE A 53 3.512 10.152 2.268 1.00 0.00 C ATOM 851 CG2 ILE A 53 1.372 9.316 3.308 1.00 0.00 C ATOM 852 CD1 ILE A 53 3.105 11.617 2.248 1.00 0.00 C ATOM 0 H ILE A 53 5.256 9.131 4.585 1.00 0.00 H new ATOM 0 HA ILE A 53 2.990 10.965 4.833 1.00 0.00 H new ATOM 0 HB ILE A 53 3.259 8.314 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.598 10.089 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.223 9.693 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.088 8.897 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.955 8.702 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.985 10.331 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.582 12.116 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.022 11.692 2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.419 12.095 3.176 1.00 0.00 H new ATOM 864 N ASP A 54 2.996 7.867 6.057 1.00 0.00 N ATOM 865 CA ASP A 54 2.397 7.028 7.101 1.00 0.00 C ATOM 866 C ASP A 54 3.109 5.669 7.178 1.00 0.00 C ATOM 867 O ASP A 54 3.955 5.356 6.337 1.00 0.00 O ATOM 868 CB ASP A 54 0.897 6.822 6.834 1.00 0.00 C ATOM 869 CG ASP A 54 0.112 6.533 8.101 1.00 0.00 C ATOM 870 OD1 ASP A 54 0.162 5.396 8.594 1.00 0.00 O ATOM 871 OD2 ASP A 54 -0.554 7.457 8.613 1.00 0.00 O ATOM 0 H ASP A 54 3.665 7.384 5.457 1.00 0.00 H new ATOM 0 HA ASP A 54 2.516 7.539 8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.491 7.713 6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.766 5.997 6.134 1.00 0.00 H new ATOM 876 N THR A 55 2.771 4.877 8.182 1.00 0.00 N ATOM 877 CA THR A 55 3.370 3.565 8.371 1.00 0.00 C ATOM 878 C THR A 55 2.402 2.640 9.138 1.00 0.00 C ATOM 879 O THR A 55 1.554 3.115 9.895 1.00 0.00 O ATOM 880 CB THR A 55 4.732 3.658 9.114 1.00 0.00 C ATOM 881 OG1 THR A 55 5.393 2.379 9.104 1.00 0.00 O ATOM 882 CG2 THR A 55 4.541 4.125 10.554 1.00 0.00 C ATOM 0 H THR A 55 2.076 5.124 8.887 1.00 0.00 H new ATOM 0 HA THR A 55 3.560 3.142 7.385 1.00 0.00 H new ATOM 0 HB THR A 55 5.349 4.389 8.592 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.044 1.836 8.366 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.510 4.181 11.050 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.074 5.110 10.558 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.902 3.418 11.084 1.00 0.00 H new ATOM 890 N SER A 56 2.522 1.338 8.933 1.00 0.00 N ATOM 891 CA SER A 56 1.693 0.380 9.644 1.00 0.00 C ATOM 892 C SER A 56 2.443 -0.948 9.815 1.00 0.00 C ATOM 893 O SER A 56 3.196 -1.362 8.933 1.00 0.00 O ATOM 894 CB SER A 56 0.370 0.161 8.888 1.00 0.00 C ATOM 895 OG SER A 56 -0.557 -0.587 9.665 1.00 0.00 O ATOM 0 H SER A 56 3.186 0.921 8.280 1.00 0.00 H new ATOM 0 HA SER A 56 1.465 0.776 10.634 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.066 1.126 8.629 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.567 -0.362 7.952 1.00 0.00 H new ATOM 0 HG SER A 56 -0.932 -1.310 9.120 1.00 0.00 H new ATOM 901 N THR A 57 2.251 -1.597 10.956 1.00 0.00 N ATOM 902 CA THR A 57 2.884 -2.876 11.231 1.00 0.00 C ATOM 903 C THR A 57 1.813 -3.953 11.418 1.00 0.00 C ATOM 904 O THR A 57 0.867 -3.772 12.188 1.00 0.00 O ATOM 905 CB THR A 57 3.764 -2.792 12.496 1.00 0.00 C ATOM 906 OG1 THR A 57 4.709 -1.717 12.354 1.00 0.00 O ATOM 907 CG2 THR A 57 4.517 -4.095 12.727 1.00 0.00 C ATOM 0 H THR A 57 1.657 -1.253 11.710 1.00 0.00 H new ATOM 0 HA THR A 57 3.520 -3.135 10.384 1.00 0.00 H new ATOM 0 HB THR A 57 3.115 -2.610 13.352 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.266 -1.663 13.158 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.129 -4.007 13.625 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.804 -4.910 12.852 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.158 -4.302 11.870 1.00 0.00 H new ATOM 915 N PHE A 58 1.955 -5.062 10.709 1.00 0.00 N ATOM 916 CA PHE A 58 0.953 -6.116 10.754 1.00 0.00 C ATOM 917 C PHE A 58 1.469 -7.408 11.392 1.00 0.00 C ATOM 918 O PHE A 58 2.531 -7.918 11.030 1.00 0.00 O ATOM 919 CB PHE A 58 0.450 -6.428 9.338 1.00 0.00 C ATOM 920 CG PHE A 58 -0.285 -5.295 8.677 1.00 0.00 C ATOM 921 CD1 PHE A 58 -1.648 -5.134 8.866 1.00 0.00 C ATOM 922 CD2 PHE A 58 0.385 -4.397 7.864 1.00 0.00 C ATOM 923 CE1 PHE A 58 -2.329 -4.100 8.259 1.00 0.00 C ATOM 924 CE2 PHE A 58 -0.289 -3.360 7.252 1.00 0.00 C ATOM 925 CZ PHE A 58 -1.648 -3.209 7.449 1.00 0.00 C ATOM 0 H PHE A 58 2.749 -5.255 10.099 1.00 0.00 H new ATOM 0 HA PHE A 58 0.142 -5.741 11.378 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.301 -6.705 8.716 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.208 -7.296 9.382 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.184 -5.827 9.497 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.448 -4.509 7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.391 -3.986 8.416 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.246 -2.667 6.619 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.177 -2.397 6.972 1.00 0.00 H new ATOM 935 N TYR A 59 0.710 -7.907 12.359 1.00 0.00 N ATOM 936 CA TYR A 59 0.937 -9.218 12.948 1.00 0.00 C ATOM 937 C TYR A 59 -0.414 -9.753 13.411 1.00 0.00 C ATOM 938 O TYR A 59 -1.139 -9.062 14.132 1.00 0.00 O ATOM 939 CB TYR A 59 1.974 -9.181 14.103 1.00 0.00 C ATOM 940 CG TYR A 59 1.505 -8.558 15.407 1.00 0.00 C ATOM 941 CD1 TYR A 59 1.573 -7.185 15.621 1.00 0.00 C ATOM 942 CD2 TYR A 59 1.012 -9.357 16.437 1.00 0.00 C ATOM 943 CE1 TYR A 59 1.159 -6.629 16.820 1.00 0.00 C ATOM 944 CE2 TYR A 59 0.601 -8.809 17.633 1.00 0.00 C ATOM 945 CZ TYR A 59 0.675 -7.449 17.821 1.00 0.00 C ATOM 946 OH TYR A 59 0.272 -6.905 19.023 1.00 0.00 O ATOM 0 H TYR A 59 -0.086 -7.409 12.759 1.00 0.00 H new ATOM 0 HA TYR A 59 1.371 -9.884 12.202 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.295 -10.202 14.308 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.851 -8.634 13.758 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.954 -6.543 14.841 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.951 -10.426 16.295 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.214 -5.561 16.972 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.222 -9.445 18.419 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.043 -7.619 19.616 1.00 0.00 H new ATOM 956 N HIS A 60 -0.769 -10.950 12.979 1.00 0.00 N ATOM 957 CA HIS A 60 -2.101 -11.482 13.241 1.00 0.00 C ATOM 958 C HIS A 60 -2.171 -12.941 12.763 1.00 0.00 C ATOM 959 O HIS A 60 -1.149 -13.611 12.660 1.00 0.00 O ATOM 960 CB HIS A 60 -3.125 -10.596 12.462 1.00 0.00 C ATOM 961 CG HIS A 60 -4.579 -10.764 12.835 1.00 0.00 C ATOM 962 ND1 HIS A 60 -5.533 -11.246 11.956 1.00 0.00 N ATOM 963 CD2 HIS A 60 -5.240 -10.486 13.980 1.00 0.00 C ATOM 964 CE1 HIS A 60 -6.712 -11.254 12.550 1.00 0.00 C ATOM 965 NE2 HIS A 60 -6.560 -10.799 13.776 1.00 0.00 N ATOM 0 H HIS A 60 -0.160 -11.572 12.448 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.330 -11.463 14.307 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.853 -9.551 12.609 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.019 -10.807 11.398 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.809 -10.091 14.888 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.642 -11.578 12.106 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.305 -10.696 14.465 1.00 0.00 H new ATOM 973 N HIS A 61 -3.381 -13.407 12.483 1.00 0.00 N ATOM 974 CA HIS A 61 -3.626 -14.729 11.927 1.00 0.00 C ATOM 975 C HIS A 61 -2.945 -14.841 10.553 1.00 0.00 C ATOM 976 O HIS A 61 -2.506 -13.835 10.003 1.00 0.00 O ATOM 977 CB HIS A 61 -5.134 -15.039 11.845 1.00 0.00 C ATOM 978 CG HIS A 61 -5.450 -16.512 11.765 1.00 0.00 C ATOM 979 ND1 HIS A 61 -6.061 -17.105 10.677 1.00 0.00 N ATOM 980 CD2 HIS A 61 -5.242 -17.509 12.660 1.00 0.00 C ATOM 981 CE1 HIS A 61 -6.218 -18.398 10.911 1.00 0.00 C ATOM 982 NE2 HIS A 61 -5.727 -18.666 12.104 1.00 0.00 N ATOM 0 H HIS A 61 -4.233 -12.868 12.639 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.194 -15.477 12.592 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.630 -14.618 12.719 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.551 -14.540 10.970 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.780 -17.411 13.631 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.671 -19.112 10.239 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.710 -19.586 12.544 1.00 0.00 H new ATOM 990 N ASP A 62 -2.843 -16.074 10.054 1.00 0.00 N ATOM 991 CA ASP A 62 -2.072 -16.460 8.838 1.00 0.00 C ATOM 992 C ASP A 62 -2.151 -15.491 7.623 1.00 0.00 C ATOM 993 O ASP A 62 -2.884 -14.505 7.604 1.00 0.00 O ATOM 994 CB ASP A 62 -2.541 -17.833 8.387 1.00 0.00 C ATOM 995 CG ASP A 62 -2.321 -18.890 9.438 1.00 0.00 C ATOM 996 OD1 ASP A 62 -1.164 -19.283 9.658 1.00 0.00 O ATOM 997 OD2 ASP A 62 -3.304 -19.327 10.059 1.00 0.00 O ATOM 0 H ASP A 62 -3.306 -16.871 10.491 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.028 -16.434 9.150 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.601 -17.788 8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.011 -18.114 7.477 1.00 0.00 H new ATOM 1002 N GLU A 63 -1.436 -15.887 6.574 1.00 0.00 N ATOM 1003 CA GLU A 63 -1.145 -15.044 5.407 1.00 0.00 C ATOM 1004 C GLU A 63 -2.390 -14.511 4.694 1.00 0.00 C ATOM 1005 O GLU A 63 -2.390 -13.365 4.242 1.00 0.00 O ATOM 1006 CB GLU A 63 -0.239 -15.800 4.410 1.00 0.00 C ATOM 1007 CG GLU A 63 -0.907 -16.980 3.694 1.00 0.00 C ATOM 1008 CD GLU A 63 -1.375 -18.064 4.639 1.00 0.00 C ATOM 1009 OE1 GLU A 63 -0.521 -18.765 5.216 1.00 0.00 O ATOM 1010 OE2 GLU A 63 -2.602 -18.206 4.824 1.00 0.00 O ATOM 0 H GLU A 63 -1.032 -16.821 6.505 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.624 -14.168 5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.118 -15.094 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.637 -16.168 4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.759 -16.614 3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.204 -17.408 2.980 1.00 0.00 H new ATOM 1017 N ASP A 64 -3.435 -15.323 4.594 1.00 0.00 N ATOM 1018 CA ASP A 64 -4.648 -14.915 3.875 1.00 0.00 C ATOM 1019 C ASP A 64 -5.240 -13.629 4.457 1.00 0.00 C ATOM 1020 O ASP A 64 -5.451 -12.647 3.737 1.00 0.00 O ATOM 1021 CB ASP A 64 -5.689 -16.040 3.918 1.00 0.00 C ATOM 1022 CG ASP A 64 -6.998 -15.658 3.258 1.00 0.00 C ATOM 1023 OD1 ASP A 64 -7.079 -15.701 2.014 1.00 0.00 O ATOM 1024 OD2 ASP A 64 -7.957 -15.320 3.977 1.00 0.00 O ATOM 0 H ASP A 64 -3.473 -16.260 4.995 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.372 -14.717 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.283 -16.923 3.424 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.878 -16.314 4.956 1.00 0.00 H new ATOM 1029 N VAL A 65 -5.496 -13.641 5.755 1.00 0.00 N ATOM 1030 CA VAL A 65 -6.020 -12.464 6.435 1.00 0.00 C ATOM 1031 C VAL A 65 -4.980 -11.332 6.464 1.00 0.00 C ATOM 1032 O VAL A 65 -5.329 -10.157 6.356 1.00 0.00 O ATOM 1033 CB VAL A 65 -6.500 -12.788 7.885 1.00 0.00 C ATOM 1034 CG1 VAL A 65 -5.347 -13.142 8.786 1.00 0.00 C ATOM 1035 CG2 VAL A 65 -7.310 -11.640 8.474 1.00 0.00 C ATOM 0 H VAL A 65 -5.350 -14.450 6.359 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.887 -12.132 5.863 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.151 -13.660 7.817 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.721 -13.361 9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.832 -14.018 8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.652 -12.304 8.834 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.628 -11.900 9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.695 -10.740 8.507 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.187 -11.457 7.853 1.00 0.00 H new ATOM 1045 N LEU A 66 -3.700 -11.701 6.591 1.00 0.00 N ATOM 1046 CA LEU A 66 -2.621 -10.721 6.689 1.00 0.00 C ATOM 1047 C LEU A 66 -2.542 -9.881 5.398 1.00 0.00 C ATOM 1048 O LEU A 66 -2.642 -8.647 5.436 1.00 0.00 O ATOM 1049 CB LEU A 66 -1.286 -11.469 6.938 1.00 0.00 C ATOM 1050 CG LEU A 66 -0.147 -10.692 7.638 1.00 0.00 C ATOM 1051 CD1 LEU A 66 0.280 -9.470 6.845 1.00 0.00 C ATOM 1052 CD2 LEU A 66 -0.552 -10.308 9.053 1.00 0.00 C ATOM 0 H LEU A 66 -3.390 -12.672 6.628 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.815 -10.042 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.504 -12.355 7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.912 -11.817 5.975 1.00 0.00 H new ATOM 0 HG LEU A 66 0.716 -11.356 7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.082 -8.955 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.634 -9.780 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.569 -8.797 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.263 -9.762 9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.440 -9.677 9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.769 -11.209 9.627 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.355 -10.557 4.266 1.00 0.00 N ATOM 1065 CA PHE A 67 -2.338 -9.879 2.966 1.00 0.00 C ATOM 1066 C PHE A 67 -3.623 -9.113 2.669 1.00 0.00 C ATOM 1067 O PHE A 67 -3.568 -8.035 2.075 1.00 0.00 O ATOM 1068 CB PHE A 67 -1.992 -10.836 1.822 1.00 0.00 C ATOM 1069 CG PHE A 67 -0.536 -11.224 1.784 1.00 0.00 C ATOM 1070 CD1 PHE A 67 0.442 -10.280 1.477 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -0.143 -12.523 2.057 1.00 0.00 C ATOM 1072 CE1 PHE A 67 1.777 -10.633 1.443 1.00 0.00 C ATOM 1073 CE2 PHE A 67 1.192 -12.878 2.023 1.00 0.00 C ATOM 1074 CZ PHE A 67 2.153 -11.932 1.716 1.00 0.00 C ATOM 0 H PHE A 67 -2.214 -11.566 4.219 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.542 -9.138 3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.598 -11.737 1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.261 -10.369 0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.153 -9.262 1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.888 -13.267 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.526 -9.893 1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.485 -13.895 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.196 -12.210 1.690 1.00 0.00 H new ATOM 1084 N ASN A 68 -4.773 -9.649 3.078 1.00 0.00 N ATOM 1085 CA ASN A 68 -6.050 -8.950 2.864 1.00 0.00 C ATOM 1086 C ASN A 68 -6.021 -7.581 3.541 1.00 0.00 C ATOM 1087 O ASN A 68 -6.388 -6.571 2.941 1.00 0.00 O ATOM 1088 CB ASN A 68 -7.213 -9.783 3.426 1.00 0.00 C ATOM 1089 CG ASN A 68 -8.541 -9.039 3.418 1.00 0.00 C ATOM 1090 OD1 ASN A 68 -8.896 -8.376 4.388 1.00 0.00 O ATOM 1091 ND2 ASN A 68 -9.280 -9.144 2.331 1.00 0.00 N ATOM 0 H ASN A 68 -4.852 -10.549 3.552 1.00 0.00 H new ATOM 0 HA ASN A 68 -6.196 -8.814 1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.313 -10.697 2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.977 -10.082 4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.179 -8.665 2.277 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.953 -9.704 1.544 1.00 0.00 H new ATOM 1098 N MET A 69 -5.571 -7.572 4.776 1.00 0.00 N ATOM 1099 CA MET A 69 -5.426 -6.322 5.523 1.00 0.00 C ATOM 1100 C MET A 69 -4.447 -5.362 4.827 1.00 0.00 C ATOM 1101 O MET A 69 -4.727 -4.163 4.709 1.00 0.00 O ATOM 1102 CB MET A 69 -4.973 -6.584 6.964 1.00 0.00 C ATOM 1103 CG MET A 69 -5.957 -7.401 7.791 1.00 0.00 C ATOM 1104 SD MET A 69 -5.412 -7.623 9.502 1.00 0.00 S ATOM 1105 CE MET A 69 -3.963 -8.640 9.263 1.00 0.00 C ATOM 0 H MET A 69 -5.297 -8.409 5.292 1.00 0.00 H new ATOM 0 HA MET A 69 -6.408 -5.850 5.550 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.015 -7.104 6.943 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.806 -5.628 7.460 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.929 -6.908 7.784 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.092 -8.378 7.327 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.482 -8.820 10.224 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.256 -9.592 8.820 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.266 -8.130 8.598 1.00 0.00 H new ATOM 1115 N CYS A 70 -3.317 -5.888 4.367 1.00 0.00 N ATOM 1116 CA CYS A 70 -2.302 -5.074 3.689 1.00 0.00 C ATOM 1117 C CYS A 70 -2.819 -4.449 2.380 1.00 0.00 C ATOM 1118 O CYS A 70 -2.691 -3.238 2.174 1.00 0.00 O ATOM 1119 CB CYS A 70 -1.059 -5.917 3.404 1.00 0.00 C ATOM 1120 SG CYS A 70 -0.309 -6.641 4.878 1.00 0.00 S ATOM 0 H CYS A 70 -3.076 -6.876 4.449 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.051 -4.254 4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.326 -6.718 2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.319 -5.296 2.900 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.163 -7.433 5.455 1.00 0.00 H new ATOM 1126 N THR A 71 -3.407 -5.264 1.508 1.00 0.00 N ATOM 1127 CA THR A 71 -3.909 -4.763 0.227 1.00 0.00 C ATOM 1128 C THR A 71 -5.069 -3.776 0.431 1.00 0.00 C ATOM 1129 O THR A 71 -5.243 -2.832 -0.353 1.00 0.00 O ATOM 1130 CB THR A 71 -4.342 -5.911 -0.736 1.00 0.00 C ATOM 1131 OG1 THR A 71 -4.749 -5.363 -2.002 1.00 0.00 O ATOM 1132 CG2 THR A 71 -5.482 -6.734 -0.155 1.00 0.00 C ATOM 0 H THR A 71 -3.548 -6.263 1.660 1.00 0.00 H new ATOM 0 HA THR A 71 -3.078 -4.238 -0.243 1.00 0.00 H new ATOM 0 HB THR A 71 -3.482 -6.567 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.018 -6.090 -2.602 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.755 -7.523 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.165 -7.179 0.788 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.344 -6.090 0.019 1.00 0.00 H new ATOM 1140 N ASP A 72 -5.848 -3.995 1.489 1.00 0.00 N ATOM 1141 CA ASP A 72 -6.995 -3.146 1.796 1.00 0.00 C ATOM 1142 C ASP A 72 -6.583 -1.705 2.071 1.00 0.00 C ATOM 1143 O ASP A 72 -7.110 -0.771 1.452 1.00 0.00 O ATOM 1144 CB ASP A 72 -7.759 -3.705 2.999 1.00 0.00 C ATOM 1145 CG ASP A 72 -8.875 -2.793 3.465 1.00 0.00 C ATOM 1146 OD1 ASP A 72 -9.847 -2.603 2.711 1.00 0.00 O ATOM 1147 OD2 ASP A 72 -8.791 -2.275 4.598 1.00 0.00 O ATOM 0 H ASP A 72 -5.703 -4.758 2.151 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.642 -3.145 0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.177 -4.677 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.062 -3.868 3.821 1.00 0.00 H new ATOM 1152 N TRP A 73 -5.642 -1.522 2.986 1.00 0.00 N ATOM 1153 CA TRP A 73 -5.183 -0.195 3.367 1.00 0.00 C ATOM 1154 C TRP A 73 -4.525 0.547 2.190 1.00 0.00 C ATOM 1155 O TRP A 73 -4.678 1.764 2.056 1.00 0.00 O ATOM 1156 CB TRP A 73 -4.237 -0.295 4.568 1.00 0.00 C ATOM 1157 CG TRP A 73 -3.892 1.025 5.191 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.660 1.740 6.067 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -2.692 1.774 5.008 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -4.009 2.893 6.430 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -2.798 2.935 5.797 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -1.542 1.575 4.254 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -1.789 3.892 5.849 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -0.541 2.520 4.306 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -0.670 3.666 5.099 1.00 0.00 C ATOM 0 H TRP A 73 -5.178 -2.283 3.482 1.00 0.00 H new ATOM 0 HA TRP A 73 -6.052 0.395 3.656 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -4.695 -0.932 5.325 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.317 -0.786 4.251 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -5.636 1.442 6.422 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -4.370 3.602 7.068 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.435 0.695 3.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -1.887 4.778 6.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.358 2.374 3.725 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.133 4.388 5.118 1.00 0.00 H new ATOM 1176 N LEU A 74 -3.794 -0.180 1.343 1.00 0.00 N ATOM 1177 CA LEU A 74 -3.145 0.442 0.177 1.00 0.00 C ATOM 1178 C LEU A 74 -4.188 1.060 -0.768 1.00 0.00 C ATOM 1179 O LEU A 74 -4.014 2.178 -1.252 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.294 -0.585 -0.589 1.00 0.00 C ATOM 1181 CG LEU A 74 -0.915 -0.924 0.008 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -0.294 -2.098 -0.737 1.00 0.00 C ATOM 1183 CD2 LEU A 74 0.009 0.287 -0.066 1.00 0.00 C ATOM 0 H LEU A 74 -3.635 -1.183 1.435 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.494 1.234 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.866 -1.509 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.144 -0.214 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.049 -1.199 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.680 -2.328 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.944 -2.969 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.173 -1.839 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.979 0.031 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.137 0.584 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.427 1.113 0.496 1.00 0.00 H new ATOM 1195 N ASN A 75 -5.279 0.339 -1.000 1.00 0.00 N ATOM 1196 CA ASN A 75 -6.358 0.832 -1.868 1.00 0.00 C ATOM 1197 C ASN A 75 -7.055 2.036 -1.222 1.00 0.00 C ATOM 1198 O ASN A 75 -7.537 2.941 -1.907 1.00 0.00 O ATOM 1199 CB ASN A 75 -7.377 -0.279 -2.171 1.00 0.00 C ATOM 1200 CG ASN A 75 -8.479 0.180 -3.123 1.00 0.00 C ATOM 1201 OD1 ASN A 75 -9.515 0.703 -2.698 1.00 0.00 O ATOM 1202 ND2 ASN A 75 -8.273 -0.029 -4.410 1.00 0.00 N ATOM 0 H ASN A 75 -5.446 -0.586 -0.604 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.914 1.148 -2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.859 -1.134 -2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.826 -0.619 -1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.982 0.244 -5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.405 -0.463 -4.724 1.00 0.00 H new ATOM 1209 N HIS A 76 -7.069 2.034 0.103 1.00 0.00 N ATOM 1210 CA HIS A 76 -7.712 3.075 0.909 1.00 0.00 C ATOM 1211 C HIS A 76 -7.198 4.494 0.584 1.00 0.00 C ATOM 1212 O HIS A 76 -7.989 5.427 0.458 1.00 0.00 O ATOM 1213 CB HIS A 76 -7.518 2.734 2.415 1.00 0.00 C ATOM 1214 CG HIS A 76 -7.395 3.913 3.346 1.00 0.00 C ATOM 1215 ND1 HIS A 76 -8.468 4.642 3.804 1.00 0.00 N ATOM 1216 CD2 HIS A 76 -6.294 4.484 3.895 1.00 0.00 C ATOM 1217 CE1 HIS A 76 -8.039 5.612 4.583 1.00 0.00 C ATOM 1218 NE2 HIS A 76 -6.723 5.540 4.657 1.00 0.00 N ATOM 0 H HIS A 76 -6.630 1.302 0.661 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.774 3.087 0.664 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.361 2.124 2.741 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.623 2.121 2.516 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.271 4.166 3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.659 6.344 5.079 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.123 6.167 5.193 1.00 0.00 H new ATOM 1226 N MET A 77 -5.895 4.651 0.437 1.00 0.00 N ATOM 1227 CA MET A 77 -5.318 5.983 0.208 1.00 0.00 C ATOM 1228 C MET A 77 -5.501 6.484 -1.226 1.00 0.00 C ATOM 1229 O MET A 77 -5.445 7.692 -1.465 1.00 0.00 O ATOM 1230 CB MET A 77 -3.840 6.045 0.610 1.00 0.00 C ATOM 1231 CG MET A 77 -2.920 5.131 -0.184 1.00 0.00 C ATOM 1232 SD MET A 77 -1.177 5.428 0.184 1.00 0.00 S ATOM 1233 CE MET A 77 -1.141 5.081 1.939 1.00 0.00 C ATOM 0 H MET A 77 -5.216 3.891 0.470 1.00 0.00 H new ATOM 0 HA MET A 77 -5.882 6.655 0.856 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.491 7.072 0.499 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.755 5.792 1.667 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.164 4.092 0.037 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.095 5.280 -1.250 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.864 5.984 2.483 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.127 4.749 2.265 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.410 4.298 2.140 1.00 0.00 H new ATOM 1243 N TYR A 78 -5.724 5.566 -2.173 1.00 0.00 N ATOM 1244 CA TYR A 78 -5.835 5.943 -3.591 1.00 0.00 C ATOM 1245 C TYR A 78 -6.868 7.042 -3.816 1.00 0.00 C ATOM 1246 O TYR A 78 -6.544 8.101 -4.334 1.00 0.00 O ATOM 1247 CB TYR A 78 -6.208 4.735 -4.460 1.00 0.00 C ATOM 1248 CG TYR A 78 -5.110 3.714 -4.646 1.00 0.00 C ATOM 1249 CD1 TYR A 78 -3.782 4.099 -4.769 1.00 0.00 C ATOM 1250 CD2 TYR A 78 -5.405 2.362 -4.707 1.00 0.00 C ATOM 1251 CE1 TYR A 78 -2.785 3.168 -4.945 1.00 0.00 C ATOM 1252 CE2 TYR A 78 -4.414 1.424 -4.884 1.00 0.00 C ATOM 1253 CZ TYR A 78 -3.106 1.830 -5.002 1.00 0.00 C ATOM 1254 OH TYR A 78 -2.114 0.896 -5.180 1.00 0.00 O ATOM 0 H TYR A 78 -5.830 4.568 -1.989 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.854 6.318 -3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.071 4.240 -4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.518 5.095 -5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.527 5.148 -4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.431 2.038 -4.614 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.757 3.484 -5.038 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.663 0.374 -4.930 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.372 0.057 -4.744 1.00 0.00 H new ATOM 1264 N ASP A 79 -8.091 6.794 -3.387 1.00 0.00 N ATOM 1265 CA ASP A 79 -9.190 7.740 -3.598 1.00 0.00 C ATOM 1266 C ASP A 79 -8.938 9.063 -2.876 1.00 0.00 C ATOM 1267 O ASP A 79 -9.162 10.141 -3.425 1.00 0.00 O ATOM 1268 CB ASP A 79 -10.500 7.120 -3.120 1.00 0.00 C ATOM 1269 CG ASP A 79 -11.678 8.047 -3.278 1.00 0.00 C ATOM 1270 OD1 ASP A 79 -12.214 8.147 -4.405 1.00 0.00 O ATOM 1271 OD2 ASP A 79 -12.086 8.669 -2.280 1.00 0.00 O ATOM 0 H ASP A 79 -8.357 5.945 -2.888 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.255 7.954 -4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.688 6.203 -3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.402 6.840 -2.071 1.00 0.00 H new ATOM 1276 N GLN A 80 -8.471 8.951 -1.655 1.00 0.00 N ATOM 1277 CA GLN A 80 -8.181 10.112 -0.815 1.00 0.00 C ATOM 1278 C GLN A 80 -7.200 11.099 -1.473 1.00 0.00 C ATOM 1279 O GLN A 80 -7.408 12.311 -1.416 1.00 0.00 O ATOM 1280 CB GLN A 80 -7.672 9.665 0.551 1.00 0.00 C ATOM 1281 CG GLN A 80 -8.697 8.858 1.334 1.00 0.00 C ATOM 1282 CD GLN A 80 -9.960 9.653 1.624 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -10.057 10.334 2.641 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -10.937 9.570 0.734 1.00 0.00 N ATOM 0 H GLN A 80 -8.278 8.056 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.118 10.653 -0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.771 9.066 0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.389 10.543 1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.956 7.961 0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.255 8.528 2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.820 8.994 -0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.807 10.082 0.882 1.00 0.00 H new ATOM 1293 N LEU A 81 -6.155 10.587 -2.112 1.00 0.00 N ATOM 1294 CA LEU A 81 -5.174 11.458 -2.778 1.00 0.00 C ATOM 1295 C LEU A 81 -5.639 11.823 -4.191 1.00 0.00 C ATOM 1296 O LEU A 81 -5.049 12.668 -4.860 1.00 0.00 O ATOM 1297 CB LEU A 81 -3.799 10.791 -2.821 1.00 0.00 C ATOM 1298 CG LEU A 81 -3.165 10.475 -1.461 1.00 0.00 C ATOM 1299 CD1 LEU A 81 -1.838 9.757 -1.644 1.00 0.00 C ATOM 1300 CD2 LEU A 81 -2.978 11.750 -0.644 1.00 0.00 C ATOM 0 H LEU A 81 -5.960 9.589 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.091 12.377 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.885 9.862 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.120 11.439 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.839 9.816 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.403 9.541 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.001 8.824 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.157 10.390 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.527 11.503 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.327 12.437 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.947 12.222 -0.480 1.00 0.00 H new ATOM 1312 N LYS A 82 -6.700 11.177 -4.622 1.00 0.00 N ATOM 1313 CA LYS A 82 -7.283 11.447 -5.930 1.00 0.00 C ATOM 1314 C LYS A 82 -8.227 12.636 -5.877 1.00 0.00 C ATOM 1315 O LYS A 82 -8.605 13.193 -6.913 1.00 0.00 O ATOM 1316 CB LYS A 82 -7.987 10.218 -6.498 1.00 0.00 C ATOM 1317 CG LYS A 82 -7.037 9.161 -7.035 1.00 0.00 C ATOM 1318 CD LYS A 82 -7.787 7.915 -7.470 1.00 0.00 C ATOM 1319 CE LYS A 82 -6.853 6.894 -8.108 1.00 0.00 C ATOM 1320 NZ LYS A 82 -6.329 7.371 -9.417 1.00 0.00 N ATOM 0 H LYS A 82 -7.183 10.456 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.463 11.697 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.607 9.774 -5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.657 10.532 -7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.479 9.566 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.308 8.900 -6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.282 7.468 -6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.568 8.188 -8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.020 6.692 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.384 5.953 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.867 6.583 -9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.115 7.732 -9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.638 8.132 -9.258 1.00 0.00 H new ATOM 1334 N ASP A 83 -8.620 13.014 -4.675 1.00 0.00 N ATOM 1335 CA ASP A 83 -9.497 14.161 -4.493 1.00 0.00 C ATOM 1336 C ASP A 83 -8.684 15.442 -4.346 1.00 0.00 C ATOM 1337 O ASP A 83 -9.071 16.505 -4.839 1.00 0.00 O ATOM 1338 CB ASP A 83 -10.387 13.975 -3.266 1.00 0.00 C ATOM 1339 CG ASP A 83 -11.356 15.125 -3.086 1.00 0.00 C ATOM 1340 OD1 ASP A 83 -10.972 16.151 -2.493 1.00 0.00 O ATOM 1341 OD2 ASP A 83 -12.513 15.007 -3.545 1.00 0.00 O ATOM 0 H ASP A 83 -8.348 12.546 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.129 14.240 -5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.944 13.043 -3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.763 13.884 -2.377 1.00 0.00 H new ATOM 1346 N TRP A 84 -7.552 15.330 -3.677 1.00 0.00 N ATOM 1347 CA TRP A 84 -6.690 16.471 -3.434 1.00 0.00 C ATOM 1348 C TRP A 84 -5.699 16.668 -4.573 1.00 0.00 C ATOM 1349 O TRP A 84 -4.952 15.753 -4.911 1.00 0.00 O ATOM 1350 CB TRP A 84 -5.942 16.301 -2.108 1.00 0.00 C ATOM 1351 CG TRP A 84 -6.803 16.495 -0.891 1.00 0.00 C ATOM 1352 CD1 TRP A 84 -7.858 15.725 -0.492 1.00 0.00 C ATOM 1353 CD2 TRP A 84 -6.661 17.522 0.098 1.00 0.00 C ATOM 1354 NE1 TRP A 84 -8.391 16.222 0.674 1.00 0.00 N ATOM 1355 CE2 TRP A 84 -7.671 17.322 1.058 1.00 0.00 C ATOM 1356 CE3 TRP A 84 -5.779 18.593 0.262 1.00 0.00 C ATOM 1357 CZ2 TRP A 84 -7.821 18.153 2.164 1.00 0.00 C ATOM 1358 CZ3 TRP A 84 -5.929 19.414 1.360 1.00 0.00 C ATOM 1359 CH2 TRP A 84 -6.943 19.190 2.300 1.00 0.00 C ATOM 0 H TRP A 84 -7.206 14.452 -3.289 1.00 0.00 H new ATOM 0 HA TRP A 84 -7.320 17.359 -3.376 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -5.504 15.303 -2.075 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.117 17.013 -2.074 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -8.221 14.853 -1.016 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -9.192 15.834 1.172 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -4.994 18.775 -0.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -8.604 17.984 2.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -5.252 20.245 1.498 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -7.032 19.851 3.150 1.00 0.00 H new ATOM 1370 N LYS A 85 -5.707 17.890 -5.130 1.00 0.00 N ATOM 1371 CA LYS A 85 -4.828 18.323 -6.247 1.00 0.00 C ATOM 1372 C LYS A 85 -4.271 17.156 -7.070 1.00 0.00 C ATOM 1373 O LYS A 85 -5.008 16.662 -7.976 1.00 0.00 O ATOM 1374 CB LYS A 85 -3.684 19.189 -5.714 1.00 0.00 C ATOM 1375 CG LYS A 85 -4.144 20.499 -5.093 1.00 0.00 C ATOM 1376 CD LYS A 85 -2.973 21.322 -4.586 1.00 0.00 C ATOM 1377 CE LYS A 85 -3.439 22.646 -4.000 1.00 0.00 C ATOM 1378 NZ LYS A 85 -4.327 22.449 -2.829 1.00 0.00 N ATOM 0 H LYS A 85 -6.337 18.627 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.452 18.908 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.127 18.621 -4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.995 19.407 -6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.702 21.076 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.827 20.291 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.430 20.757 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.276 21.509 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.572 23.237 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.967 23.216 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.459 23.356 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.250 22.091 -3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.896 21.762 -2.178 1.00 0.00 H new TER 1392 LYS A 85