USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1061 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 66:sc= 0.289 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.53) USER MOD Single : A 31 HIS : no HD1:sc= -2.85 K(o=-2.8,f=-3.7) USER MOD Single : A 33 GLN : amide:sc= -0.853 X(o=-0.85,f=-0.86) USER MOD Single : A 35 SER OG : rot 161:sc= 0.205 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00788 USER MOD Single : A 45 HIS : no HD1:sc=-0.00416 K(o=-0.0042,f=-0.85) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.852 USER MOD Single : A 57 THR OG1 : rot 150:sc= -0.979 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -156:sc= 0.241 USER MOD Single : A 78 THR OG1 : rot 58:sc= 0.89 USER MOD Single : A 79 MET CE :methyl -135:sc= -1.63 (180deg=-3.14!) USER MOD Single : A 87 THR OG1 : rot 129:sc= 0.162 USER MOD Single : A 88 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.29) USER MOD Single : A 89 HIS : no HE2:sc= -3.86! K(o=-3.9!,f=-2.9) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 103 CYS SG : rot -3:sc= -4.4! USER MOD Single : A 104 THR OG1 : rot -91:sc= 0.143 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 CYS SG : rot 115:sc= -1.52 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc=-0.00167 K(o=-0.0017,f=-0.73) USER MOD Single : A 141 TYR OH : rot -39:sc= -0.935 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -2.922 13.784 9.069 1.00 61.02 N ATOM 21 CA ALA A 2 -1.940 13.461 7.998 1.00 1.14 C ATOM 22 C ALA A 2 -1.905 11.951 7.661 1.00 61.31 C ATOM 23 O ALA A 2 -1.343 11.550 6.635 1.00 65.51 O ATOM 24 CB ALA A 2 -0.541 13.946 8.412 1.00 31.34 C ATOM 0 HA ALA A 2 -2.260 13.980 7.095 1.00 1.14 H new ATOM 0 HB1 ALA A 2 0.174 13.707 7.625 1.00 31.34 H new ATOM 0 HB2 ALA A 2 -0.561 15.024 8.569 1.00 31.34 H new ATOM 0 HB3 ALA A 2 -0.243 13.450 9.336 1.00 31.34 H new ATOM 30 N THR A 3 -2.462 11.115 8.559 1.00 71.24 N ATOM 31 CA THR A 3 -2.588 9.663 8.331 1.00 71.42 C ATOM 32 C THR A 3 -3.792 9.330 7.415 1.00 12.41 C ATOM 33 O THR A 3 -4.957 9.484 7.800 1.00 43.12 O ATOM 34 CB THR A 3 -2.709 8.863 9.676 1.00 62.21 C ATOM 35 OG1 THR A 3 -1.642 9.245 10.571 1.00 31.34 O ATOM 36 CG2 THR A 3 -2.653 7.334 9.443 1.00 31.13 C ATOM 0 H THR A 3 -2.835 11.425 9.457 1.00 71.24 H new ATOM 0 HA THR A 3 -1.671 9.353 7.830 1.00 71.42 H new ATOM 0 HB THR A 3 -3.676 9.106 10.116 1.00 62.21 H new ATOM 0 HG1 THR A 3 -1.723 8.744 11.409 1.00 31.34 H new ATOM 0 HG21 THR A 3 -2.740 6.817 10.399 1.00 31.13 H new ATOM 0 HG22 THR A 3 -3.475 7.035 8.792 1.00 31.13 H new ATOM 0 HG23 THR A 3 -1.705 7.072 8.974 1.00 31.13 H new ATOM 44 N LEU A 4 -3.476 8.886 6.194 1.00 75.34 N ATOM 45 CA LEU A 4 -4.449 8.390 5.194 1.00 32.11 C ATOM 46 C LEU A 4 -4.547 6.852 5.302 1.00 64.44 C ATOM 47 O LEU A 4 -3.545 6.161 5.139 1.00 73.23 O ATOM 48 CB LEU A 4 -3.989 8.781 3.755 1.00 24.01 C ATOM 49 CG LEU A 4 -4.232 10.256 3.287 1.00 62.10 C ATOM 50 CD1 LEU A 4 -3.643 11.300 4.249 1.00 15.21 C ATOM 51 CD2 LEU A 4 -3.672 10.461 1.870 1.00 64.14 C ATOM 0 H LEU A 4 -2.513 8.858 5.858 1.00 75.34 H new ATOM 0 HA LEU A 4 -5.423 8.839 5.388 1.00 32.11 H new ATOM 0 HB2 LEU A 4 -2.921 8.576 3.677 1.00 24.01 H new ATOM 0 HB3 LEU A 4 -4.492 8.119 3.051 1.00 24.01 H new ATOM 0 HG LEU A 4 -5.311 10.410 3.283 1.00 62.10 H new ATOM 0 HD11 LEU A 4 -3.845 12.301 3.868 1.00 15.21 H new ATOM 0 HD12 LEU A 4 -4.099 11.187 5.232 1.00 15.21 H new ATOM 0 HD13 LEU A 4 -2.566 11.153 4.330 1.00 15.21 H new ATOM 0 HD21 LEU A 4 -3.847 11.490 1.555 1.00 64.14 H new ATOM 0 HD22 LEU A 4 -2.601 10.258 1.869 1.00 64.14 H new ATOM 0 HD23 LEU A 4 -4.171 9.781 1.180 1.00 64.14 H new ATOM 63 N ARG A 5 -5.749 6.314 5.561 1.00 4.53 N ATOM 64 CA ARG A 5 -5.956 4.855 5.705 1.00 71.03 C ATOM 65 C ARG A 5 -7.141 4.369 4.848 1.00 23.42 C ATOM 66 O ARG A 5 -8.198 5.009 4.795 1.00 1.43 O ATOM 67 CB ARG A 5 -6.197 4.466 7.192 1.00 42.14 C ATOM 68 CG ARG A 5 -6.260 2.935 7.441 1.00 24.30 C ATOM 69 CD ARG A 5 -6.737 2.568 8.856 1.00 34.24 C ATOM 70 NE ARG A 5 -8.136 2.960 9.092 1.00 22.21 N ATOM 71 CZ ARG A 5 -8.694 3.119 10.274 1.00 3.13 C ATOM 72 NH1 ARG A 5 -8.012 2.974 11.372 1.00 41.00 N ATOM 73 NH2 ARG A 5 -9.945 3.427 10.348 1.00 52.21 N ATOM 0 H ARG A 5 -6.599 6.866 5.676 1.00 4.53 H new ATOM 0 HA ARG A 5 -5.046 4.368 5.354 1.00 71.03 H new ATOM 0 HB2 ARG A 5 -5.400 4.891 7.802 1.00 42.14 H new ATOM 0 HB3 ARG A 5 -7.130 4.917 7.528 1.00 42.14 H new ATOM 0 HG2 ARG A 5 -6.930 2.482 6.710 1.00 24.30 H new ATOM 0 HG3 ARG A 5 -5.272 2.506 7.276 1.00 24.30 H new ATOM 0 HD2 ARG A 5 -6.633 1.493 9.005 1.00 34.24 H new ATOM 0 HD3 ARG A 5 -6.096 3.055 9.591 1.00 34.24 H new ATOM 0 HE ARG A 5 -8.721 3.122 8.273 1.00 22.21 H new ATOM 0 HH11 ARG A 5 -7.022 2.732 11.329 1.00 41.00 H new ATOM 0 HH12 ARG A 5 -8.467 3.103 12.276 1.00 41.00 H new ATOM 0 HH21 ARG A 5 -10.492 3.545 9.495 1.00 52.21 H new ATOM 0 HH22 ARG A 5 -10.386 3.552 11.259 1.00 52.21 H new ATOM 87 N ARG A 6 -6.947 3.214 4.193 1.00 65.34 N ATOM 88 CA ARG A 6 -7.984 2.508 3.420 1.00 40.31 C ATOM 89 C ARG A 6 -7.987 1.018 3.808 1.00 33.43 C ATOM 90 O ARG A 6 -6.959 0.480 4.227 1.00 72.02 O ATOM 91 CB ARG A 6 -7.749 2.664 1.888 1.00 31.15 C ATOM 92 CG ARG A 6 -7.966 4.084 1.339 1.00 1.23 C ATOM 93 CD ARG A 6 -9.405 4.589 1.544 1.00 3.52 C ATOM 94 NE ARG A 6 -9.586 5.939 0.991 1.00 42.54 N ATOM 95 CZ ARG A 6 -9.497 7.059 1.669 1.00 20.44 C ATOM 96 NH1 ARG A 6 -9.248 7.078 2.942 1.00 3.20 N ATOM 97 NH2 ARG A 6 -9.659 8.174 1.049 1.00 12.34 N ATOM 0 H ARG A 6 -6.047 2.734 4.185 1.00 65.34 H new ATOM 0 HA ARG A 6 -8.953 2.949 3.655 1.00 40.31 H new ATOM 0 HB2 ARG A 6 -6.730 2.354 1.658 1.00 31.15 H new ATOM 0 HB3 ARG A 6 -8.416 1.981 1.362 1.00 31.15 H new ATOM 0 HG2 ARG A 6 -7.273 4.768 1.829 1.00 1.23 H new ATOM 0 HG3 ARG A 6 -7.729 4.097 0.275 1.00 1.23 H new ATOM 0 HD2 ARG A 6 -10.104 3.902 1.067 1.00 3.52 H new ATOM 0 HD3 ARG A 6 -9.641 4.596 2.608 1.00 3.52 H new ATOM 0 HE ARG A 6 -9.799 6.011 -0.004 1.00 42.54 H new ATOM 0 HH11 ARG A 6 -9.114 6.203 3.449 1.00 3.20 H new ATOM 0 HH12 ARG A 6 -9.186 7.968 3.436 1.00 3.20 H new ATOM 0 HH21 ARG A 6 -9.853 8.177 0.048 1.00 12.34 H new ATOM 0 HH22 ARG A 6 -9.594 9.055 1.559 1.00 12.34 H new ATOM 111 N SER A 7 -9.150 0.373 3.671 1.00 63.11 N ATOM 112 CA SER A 7 -9.317 -1.076 3.936 1.00 10.42 C ATOM 113 C SER A 7 -10.422 -1.661 3.027 1.00 71.43 C ATOM 114 O SER A 7 -11.370 -0.955 2.662 1.00 72.22 O ATOM 115 CB SER A 7 -9.637 -1.314 5.428 1.00 45.11 C ATOM 116 OG SER A 7 -10.780 -0.584 5.846 1.00 52.23 O ATOM 0 H SER A 7 -10.009 0.834 3.373 1.00 63.11 H new ATOM 0 HA SER A 7 -8.383 -1.589 3.706 1.00 10.42 H new ATOM 0 HB2 SER A 7 -9.803 -2.378 5.599 1.00 45.11 H new ATOM 0 HB3 SER A 7 -8.779 -1.024 6.034 1.00 45.11 H new ATOM 0 HG SER A 7 -10.952 -0.761 6.794 1.00 52.23 H new ATOM 122 N VAL A 8 -10.292 -2.954 2.666 1.00 62.32 N ATOM 123 CA VAL A 8 -11.163 -3.607 1.654 1.00 22.44 C ATOM 124 C VAL A 8 -11.461 -5.090 2.017 1.00 41.01 C ATOM 125 O VAL A 8 -10.566 -5.815 2.450 1.00 45.31 O ATOM 126 CB VAL A 8 -10.471 -3.515 0.235 1.00 41.14 C ATOM 127 CG1 VAL A 8 -9.094 -4.237 0.218 1.00 22.10 C ATOM 128 CG2 VAL A 8 -11.392 -4.027 -0.900 1.00 61.14 C ATOM 0 H VAL A 8 -9.587 -3.576 3.062 1.00 62.32 H new ATOM 0 HA VAL A 8 -12.119 -3.083 1.635 1.00 22.44 H new ATOM 0 HB VAL A 8 -10.289 -2.457 0.045 1.00 41.14 H new ATOM 0 HG11 VAL A 8 -8.651 -4.151 -0.774 1.00 22.10 H new ATOM 0 HG12 VAL A 8 -8.433 -3.777 0.952 1.00 22.10 H new ATOM 0 HG13 VAL A 8 -9.232 -5.290 0.464 1.00 22.10 H new ATOM 0 HG21 VAL A 8 -10.873 -3.944 -1.855 1.00 61.14 H new ATOM 0 HG22 VAL A 8 -11.650 -5.070 -0.717 1.00 61.14 H new ATOM 0 HG23 VAL A 8 -12.302 -3.428 -0.928 1.00 61.14 H new ATOM 138 N GLU A 9 -12.724 -5.532 1.828 1.00 62.55 N ATOM 139 CA GLU A 9 -13.112 -6.957 1.987 1.00 45.42 C ATOM 140 C GLU A 9 -12.807 -7.722 0.671 1.00 23.44 C ATOM 141 O GLU A 9 -13.468 -7.520 -0.355 1.00 35.30 O ATOM 142 CB GLU A 9 -14.619 -7.085 2.386 1.00 72.54 C ATOM 143 CG GLU A 9 -14.917 -6.911 3.899 1.00 34.12 C ATOM 144 CD GLU A 9 -14.438 -5.572 4.497 1.00 73.34 C ATOM 145 OE1 GLU A 9 -15.004 -4.517 4.139 1.00 12.32 O ATOM 146 OE2 GLU A 9 -13.511 -5.564 5.337 1.00 43.32 O ATOM 0 H GLU A 9 -13.497 -4.922 1.564 1.00 62.55 H new ATOM 0 HA GLU A 9 -12.529 -7.401 2.794 1.00 45.42 H new ATOM 0 HB2 GLU A 9 -15.190 -6.341 1.831 1.00 72.54 H new ATOM 0 HB3 GLU A 9 -14.980 -8.064 2.071 1.00 72.54 H new ATOM 0 HG2 GLU A 9 -15.992 -7.001 4.057 1.00 34.12 H new ATOM 0 HG3 GLU A 9 -14.445 -7.728 4.445 1.00 34.12 H new ATOM 153 N VAL A 10 -11.776 -8.573 0.722 1.00 52.15 N ATOM 154 CA VAL A 10 -11.267 -9.339 -0.434 1.00 50.53 C ATOM 155 C VAL A 10 -11.815 -10.783 -0.425 1.00 54.12 C ATOM 156 O VAL A 10 -11.758 -11.457 0.604 1.00 11.51 O ATOM 157 CB VAL A 10 -9.700 -9.369 -0.388 1.00 43.12 C ATOM 158 CG1 VAL A 10 -9.099 -10.205 -1.539 1.00 63.32 C ATOM 159 CG2 VAL A 10 -9.144 -7.926 -0.395 1.00 13.32 C ATOM 0 H VAL A 10 -11.259 -8.756 1.582 1.00 52.15 H new ATOM 0 HA VAL A 10 -11.603 -8.852 -1.349 1.00 50.53 H new ATOM 0 HB VAL A 10 -9.402 -9.858 0.539 1.00 43.12 H new ATOM 0 HG11 VAL A 10 -8.012 -10.196 -1.466 1.00 63.32 H new ATOM 0 HG12 VAL A 10 -9.459 -11.231 -1.470 1.00 63.32 H new ATOM 0 HG13 VAL A 10 -9.401 -9.778 -2.495 1.00 63.32 H new ATOM 0 HG21 VAL A 10 -8.055 -7.956 -0.363 1.00 13.32 H new ATOM 0 HG22 VAL A 10 -9.467 -7.416 -1.303 1.00 13.32 H new ATOM 0 HG23 VAL A 10 -9.518 -7.388 0.476 1.00 13.32 H new ATOM 169 N ALA A 11 -12.351 -11.244 -1.572 1.00 64.51 N ATOM 170 CA ALA A 11 -12.770 -12.650 -1.759 1.00 44.24 C ATOM 171 C ALA A 11 -11.538 -13.581 -1.983 1.00 32.33 C ATOM 172 O ALA A 11 -11.283 -14.035 -3.104 1.00 31.31 O ATOM 173 CB ALA A 11 -13.788 -12.735 -2.917 1.00 41.45 C ATOM 0 H ALA A 11 -12.506 -10.657 -2.392 1.00 64.51 H new ATOM 0 HA ALA A 11 -13.259 -13.004 -0.852 1.00 44.24 H new ATOM 0 HB1 ALA A 11 -14.097 -13.771 -3.055 1.00 41.45 H new ATOM 0 HB2 ALA A 11 -14.660 -12.125 -2.681 1.00 41.45 H new ATOM 0 HB3 ALA A 11 -13.327 -12.369 -3.834 1.00 41.45 H new ATOM 179 N ALA A 12 -10.764 -13.807 -0.893 1.00 62.24 N ATOM 180 CA ALA A 12 -9.563 -14.677 -0.878 1.00 23.01 C ATOM 181 C ALA A 12 -9.008 -14.824 0.572 1.00 0.24 C ATOM 182 O ALA A 12 -9.050 -13.858 1.347 1.00 33.14 O ATOM 183 CB ALA A 12 -8.459 -14.121 -1.803 1.00 43.21 C ATOM 0 H ALA A 12 -10.960 -13.383 0.014 1.00 62.24 H new ATOM 0 HA ALA A 12 -9.863 -15.658 -1.247 1.00 23.01 H new ATOM 0 HB1 ALA A 12 -7.591 -14.780 -1.771 1.00 43.21 H new ATOM 0 HB2 ALA A 12 -8.835 -14.065 -2.825 1.00 43.21 H new ATOM 0 HB3 ALA A 12 -8.171 -13.125 -1.467 1.00 43.21 H new ATOM 189 N PRO A 13 -8.515 -16.044 0.972 1.00 1.34 N ATOM 190 CA PRO A 13 -7.775 -16.239 2.259 1.00 12.34 C ATOM 191 C PRO A 13 -6.468 -15.386 2.355 1.00 24.32 C ATOM 192 O PRO A 13 -5.741 -15.237 1.363 1.00 4.02 O ATOM 193 CB PRO A 13 -7.456 -17.763 2.278 1.00 13.01 C ATOM 194 CG PRO A 13 -7.625 -18.217 0.852 1.00 31.45 C ATOM 195 CD PRO A 13 -8.691 -17.332 0.249 1.00 44.34 C ATOM 0 HA PRO A 13 -8.368 -15.910 3.112 1.00 12.34 H new ATOM 0 HB2 PRO A 13 -6.443 -17.949 2.634 1.00 13.01 H new ATOM 0 HB3 PRO A 13 -8.131 -18.299 2.945 1.00 13.01 H new ATOM 0 HG2 PRO A 13 -6.688 -18.128 0.302 1.00 31.45 H new ATOM 0 HG3 PRO A 13 -7.920 -19.265 0.810 1.00 31.45 H new ATOM 0 HD2 PRO A 13 -8.554 -17.212 -0.826 1.00 44.34 H new ATOM 0 HD3 PRO A 13 -9.689 -17.745 0.399 1.00 44.34 H new ATOM 203 N ALA A 14 -6.204 -14.851 3.574 1.00 63.14 N ATOM 204 CA ALA A 14 -5.086 -13.906 3.880 1.00 42.30 C ATOM 205 C ALA A 14 -3.698 -14.321 3.328 1.00 70.25 C ATOM 206 O ALA A 14 -2.952 -13.471 2.840 1.00 1.24 O ATOM 207 CB ALA A 14 -4.992 -13.706 5.404 1.00 61.34 C ATOM 0 H ALA A 14 -6.772 -15.066 4.394 1.00 63.14 H new ATOM 0 HA ALA A 14 -5.337 -12.980 3.364 1.00 42.30 H new ATOM 0 HB1 ALA A 14 -4.178 -13.018 5.631 1.00 61.34 H new ATOM 0 HB2 ALA A 14 -5.930 -13.294 5.775 1.00 61.34 H new ATOM 0 HB3 ALA A 14 -4.801 -14.665 5.886 1.00 61.34 H new ATOM 213 N ALA A 15 -3.357 -15.615 3.452 1.00 20.03 N ATOM 214 CA ALA A 15 -2.055 -16.162 2.981 1.00 4.24 C ATOM 215 C ALA A 15 -1.856 -15.966 1.458 1.00 51.51 C ATOM 216 O ALA A 15 -0.791 -15.527 1.011 1.00 24.34 O ATOM 217 CB ALA A 15 -1.953 -17.650 3.348 1.00 75.33 C ATOM 0 H ALA A 15 -3.966 -16.314 3.877 1.00 20.03 H new ATOM 0 HA ALA A 15 -1.261 -15.607 3.481 1.00 4.24 H new ATOM 0 HB1 ALA A 15 -0.998 -18.046 3.001 1.00 75.33 H new ATOM 0 HB2 ALA A 15 -2.021 -17.763 4.430 1.00 75.33 H new ATOM 0 HB3 ALA A 15 -2.767 -18.198 2.874 1.00 75.33 H new ATOM 223 N ASP A 16 -2.894 -16.316 0.680 1.00 33.20 N ATOM 224 CA ASP A 16 -2.910 -16.145 -0.792 1.00 60.45 C ATOM 225 C ASP A 16 -2.829 -14.660 -1.210 1.00 12.51 C ATOM 226 O ASP A 16 -2.205 -14.327 -2.223 1.00 71.33 O ATOM 227 CB ASP A 16 -4.177 -16.811 -1.365 1.00 64.35 C ATOM 228 CG ASP A 16 -4.181 -18.326 -1.113 1.00 64.31 C ATOM 229 OD1 ASP A 16 -4.437 -18.746 0.031 1.00 22.02 O ATOM 230 OD2 ASP A 16 -3.900 -19.104 -2.044 1.00 60.53 O ATOM 0 H ASP A 16 -3.751 -16.727 1.051 1.00 33.20 H new ATOM 0 HA ASP A 16 -2.024 -16.629 -1.202 1.00 60.45 H new ATOM 0 HB2 ASP A 16 -5.061 -16.364 -0.911 1.00 64.35 H new ATOM 0 HB3 ASP A 16 -4.237 -16.619 -2.436 1.00 64.35 H new ATOM 235 N VAL A 17 -3.453 -13.778 -0.410 1.00 3.42 N ATOM 236 CA VAL A 17 -3.379 -12.314 -0.617 1.00 4.25 C ATOM 237 C VAL A 17 -1.967 -11.780 -0.260 1.00 43.24 C ATOM 238 O VAL A 17 -1.457 -10.863 -0.902 1.00 61.04 O ATOM 239 CB VAL A 17 -4.468 -11.543 0.215 1.00 13.43 C ATOM 240 CG1 VAL A 17 -4.447 -10.032 -0.123 1.00 32.24 C ATOM 241 CG2 VAL A 17 -5.881 -12.143 -0.006 1.00 32.42 C ATOM 0 H VAL A 17 -4.019 -14.053 0.393 1.00 3.42 H new ATOM 0 HA VAL A 17 -3.576 -12.133 -1.674 1.00 4.25 H new ATOM 0 HB VAL A 17 -4.225 -11.660 1.271 1.00 13.43 H new ATOM 0 HG11 VAL A 17 -5.208 -9.517 0.464 1.00 32.24 H new ATOM 0 HG12 VAL A 17 -3.466 -9.620 0.114 1.00 32.24 H new ATOM 0 HG13 VAL A 17 -4.652 -9.894 -1.185 1.00 32.24 H new ATOM 0 HG21 VAL A 17 -6.609 -11.586 0.584 1.00 32.42 H new ATOM 0 HG22 VAL A 17 -6.143 -12.077 -1.062 1.00 32.42 H new ATOM 0 HG23 VAL A 17 -5.885 -13.188 0.305 1.00 32.42 H new ATOM 251 N TRP A 18 -1.342 -12.379 0.772 1.00 32.22 N ATOM 252 CA TRP A 18 0.006 -11.984 1.238 1.00 71.31 C ATOM 253 C TRP A 18 1.104 -12.432 0.236 1.00 1.25 C ATOM 254 O TRP A 18 2.180 -11.847 0.181 1.00 4.14 O ATOM 255 CB TRP A 18 0.297 -12.507 2.677 1.00 1.21 C ATOM 256 CG TRP A 18 1.553 -11.896 3.264 1.00 23.04 C ATOM 257 CD1 TRP A 18 2.728 -12.519 3.592 1.00 44.03 C ATOM 258 CD2 TRP A 18 1.765 -10.497 3.515 1.00 11.30 C ATOM 259 NE1 TRP A 18 3.636 -11.594 4.039 1.00 30.11 N ATOM 260 CE2 TRP A 18 3.068 -10.352 4.001 1.00 24.52 C ATOM 261 CE3 TRP A 18 0.970 -9.356 3.374 1.00 34.22 C ATOM 262 CZ2 TRP A 18 3.596 -9.116 4.350 1.00 64.31 C ATOM 263 CZ3 TRP A 18 1.492 -8.130 3.718 1.00 32.43 C ATOM 264 CH2 TRP A 18 2.793 -8.020 4.197 1.00 74.34 C ATOM 0 H TRP A 18 -1.752 -13.146 1.305 1.00 32.22 H new ATOM 0 HA TRP A 18 0.027 -10.895 1.283 1.00 71.31 H new ATOM 0 HB2 TRP A 18 -0.551 -12.280 3.323 1.00 1.21 H new ATOM 0 HB3 TRP A 18 0.399 -13.592 2.654 1.00 1.21 H new ATOM 0 HD1 TRP A 18 2.912 -13.580 3.511 1.00 44.03 H new ATOM 0 HE1 TRP A 18 4.585 -11.800 4.351 1.00 30.11 H new ATOM 0 HE3 TRP A 18 -0.040 -9.435 3.000 1.00 34.22 H new ATOM 0 HZ2 TRP A 18 4.603 -9.024 4.728 1.00 64.31 H new ATOM 0 HZ3 TRP A 18 0.884 -7.243 3.615 1.00 32.43 H new ATOM 0 HH2 TRP A 18 3.179 -7.045 4.455 1.00 74.34 H new ATOM 275 N THR A 19 0.822 -13.494 -0.539 1.00 53.43 N ATOM 276 CA THR A 19 1.677 -13.919 -1.687 1.00 24.11 C ATOM 277 C THR A 19 1.813 -12.763 -2.731 1.00 51.20 C ATOM 278 O THR A 19 2.837 -12.625 -3.413 1.00 51.25 O ATOM 279 CB THR A 19 1.079 -15.201 -2.378 1.00 55.42 C ATOM 280 OG1 THR A 19 0.931 -16.257 -1.410 1.00 1.23 O ATOM 281 CG2 THR A 19 1.943 -15.717 -3.548 1.00 72.33 C ATOM 0 H THR A 19 0.003 -14.085 -0.398 1.00 53.43 H new ATOM 0 HA THR A 19 2.667 -14.159 -1.300 1.00 24.11 H new ATOM 0 HB THR A 19 0.112 -14.908 -2.786 1.00 55.42 H new ATOM 0 HG1 THR A 19 0.259 -15.999 -0.745 1.00 1.23 H new ATOM 0 HG21 THR A 19 1.477 -16.602 -3.982 1.00 72.33 H new ATOM 0 HG22 THR A 19 2.026 -14.941 -4.309 1.00 72.33 H new ATOM 0 HG23 THR A 19 2.937 -15.973 -3.181 1.00 72.33 H new ATOM 289 N LEU A 20 0.763 -11.927 -2.794 1.00 3.20 N ATOM 290 CA LEU A 20 0.670 -10.763 -3.690 1.00 21.33 C ATOM 291 C LEU A 20 1.349 -9.503 -3.071 1.00 60.30 C ATOM 292 O LEU A 20 2.301 -8.959 -3.639 1.00 71.33 O ATOM 293 CB LEU A 20 -0.834 -10.513 -3.980 1.00 65.13 C ATOM 294 CG LEU A 20 -1.212 -9.272 -4.839 1.00 43.34 C ATOM 295 CD1 LEU A 20 -0.668 -9.376 -6.275 1.00 62.35 C ATOM 296 CD2 LEU A 20 -2.738 -9.067 -4.832 1.00 41.44 C ATOM 0 H LEU A 20 -0.064 -12.045 -2.209 1.00 3.20 H new ATOM 0 HA LEU A 20 1.204 -10.965 -4.619 1.00 21.33 H new ATOM 0 HB2 LEU A 20 -1.230 -11.398 -4.478 1.00 65.13 H new ATOM 0 HB3 LEU A 20 -1.350 -10.428 -3.023 1.00 65.13 H new ATOM 0 HG LEU A 20 -0.741 -8.398 -4.390 1.00 43.34 H new ATOM 0 HD11 LEU A 20 -0.956 -8.488 -6.838 1.00 62.35 H new ATOM 0 HD12 LEU A 20 0.419 -9.452 -6.248 1.00 62.35 H new ATOM 0 HD13 LEU A 20 -1.081 -10.262 -6.757 1.00 62.35 H new ATOM 0 HD21 LEU A 20 -2.991 -8.196 -5.436 1.00 41.44 H new ATOM 0 HD22 LEU A 20 -3.226 -9.950 -5.246 1.00 41.44 H new ATOM 0 HD23 LEU A 20 -3.079 -8.910 -3.809 1.00 41.44 H new ATOM 308 N VAL A 21 0.858 -9.062 -1.888 1.00 63.14 N ATOM 309 CA VAL A 21 1.317 -7.796 -1.226 1.00 41.32 C ATOM 310 C VAL A 21 2.401 -8.025 -0.142 1.00 43.23 C ATOM 311 O VAL A 21 2.701 -7.129 0.651 1.00 31.54 O ATOM 312 CB VAL A 21 0.099 -7.004 -0.616 1.00 43.33 C ATOM 313 CG1 VAL A 21 -0.835 -6.504 -1.734 1.00 32.24 C ATOM 314 CG2 VAL A 21 -0.678 -7.861 0.413 1.00 1.23 C ATOM 0 H VAL A 21 0.140 -9.561 -1.363 1.00 63.14 H new ATOM 0 HA VAL A 21 1.780 -7.200 -2.013 1.00 41.32 H new ATOM 0 HB VAL A 21 0.496 -6.138 -0.085 1.00 43.33 H new ATOM 0 HG11 VAL A 21 -1.670 -5.959 -1.294 1.00 32.24 H new ATOM 0 HG12 VAL A 21 -0.282 -5.843 -2.401 1.00 32.24 H new ATOM 0 HG13 VAL A 21 -1.214 -7.355 -2.299 1.00 32.24 H new ATOM 0 HG21 VAL A 21 -1.511 -7.283 0.813 1.00 1.23 H new ATOM 0 HG22 VAL A 21 -1.060 -8.758 -0.075 1.00 1.23 H new ATOM 0 HG23 VAL A 21 -0.011 -8.147 1.226 1.00 1.23 H new ATOM 324 N GLY A 22 3.002 -9.223 -0.134 1.00 33.44 N ATOM 325 CA GLY A 22 4.187 -9.513 0.697 1.00 63.54 C ATOM 326 C GLY A 22 5.489 -9.333 -0.069 1.00 54.30 C ATOM 327 O GLY A 22 6.475 -10.042 0.171 1.00 51.24 O ATOM 0 H GLY A 22 2.687 -10.014 -0.696 1.00 33.44 H new ATOM 0 HA2 GLY A 22 4.187 -8.857 1.567 1.00 63.54 H new ATOM 0 HA3 GLY A 22 4.125 -10.536 1.069 1.00 63.54 H new ATOM 331 N ASP A 23 5.481 -8.366 -0.993 1.00 20.34 N ATOM 332 CA ASP A 23 6.623 -8.049 -1.856 1.00 72.15 C ATOM 333 C ASP A 23 6.543 -6.578 -2.321 1.00 12.23 C ATOM 334 O ASP A 23 5.449 -6.032 -2.518 1.00 22.10 O ATOM 335 CB ASP A 23 6.657 -9.011 -3.068 1.00 13.24 C ATOM 336 CG ASP A 23 7.912 -8.828 -3.926 1.00 41.33 C ATOM 337 OD1 ASP A 23 9.008 -9.168 -3.445 1.00 2.40 O ATOM 338 OD2 ASP A 23 7.820 -8.327 -5.062 1.00 52.15 O ATOM 0 H ASP A 23 4.669 -7.773 -1.164 1.00 20.34 H new ATOM 0 HA ASP A 23 7.546 -8.180 -1.291 1.00 72.15 H new ATOM 0 HB2 ASP A 23 6.611 -10.040 -2.712 1.00 13.24 H new ATOM 0 HB3 ASP A 23 5.773 -8.846 -3.684 1.00 13.24 H new ATOM 343 N PHE A 24 7.714 -5.961 -2.517 1.00 21.11 N ATOM 344 CA PHE A 24 7.834 -4.524 -2.836 1.00 62.13 C ATOM 345 C PHE A 24 7.680 -4.260 -4.365 1.00 25.15 C ATOM 346 O PHE A 24 7.265 -3.172 -4.778 1.00 60.02 O ATOM 347 CB PHE A 24 9.204 -4.014 -2.301 1.00 10.20 C ATOM 348 CG PHE A 24 9.301 -2.521 -1.985 1.00 10.44 C ATOM 349 CD1 PHE A 24 8.221 -1.835 -1.423 1.00 12.12 C ATOM 350 CD2 PHE A 24 10.487 -1.815 -2.202 1.00 53.42 C ATOM 351 CE1 PHE A 24 8.325 -0.499 -1.101 1.00 21.53 C ATOM 352 CE2 PHE A 24 10.581 -0.474 -1.877 1.00 42.02 C ATOM 353 CZ PHE A 24 9.502 0.182 -1.326 1.00 74.43 C ATOM 0 H PHE A 24 8.612 -6.442 -2.460 1.00 21.11 H new ATOM 0 HA PHE A 24 7.027 -3.975 -2.351 1.00 62.13 H new ATOM 0 HB2 PHE A 24 9.445 -4.571 -1.395 1.00 10.20 H new ATOM 0 HB3 PHE A 24 9.970 -4.257 -3.038 1.00 10.20 H new ATOM 0 HD1 PHE A 24 7.294 -2.358 -1.239 1.00 12.12 H new ATOM 0 HD2 PHE A 24 11.340 -2.322 -2.628 1.00 53.42 H new ATOM 0 HE1 PHE A 24 7.480 0.017 -0.670 1.00 21.53 H new ATOM 0 HE2 PHE A 24 11.502 0.060 -2.056 1.00 42.02 H new ATOM 0 HZ PHE A 24 9.578 1.229 -1.071 1.00 74.43 H new ATOM 363 N SER A 25 7.998 -5.279 -5.191 1.00 44.44 N ATOM 364 CA SER A 25 7.945 -5.180 -6.681 1.00 31.15 C ATOM 365 C SER A 25 6.586 -5.649 -7.255 1.00 15.41 C ATOM 366 O SER A 25 6.191 -5.228 -8.343 1.00 2.42 O ATOM 367 CB SER A 25 9.069 -6.034 -7.321 1.00 71.10 C ATOM 368 OG SER A 25 9.072 -5.934 -8.744 1.00 73.32 O ATOM 0 H SER A 25 8.299 -6.194 -4.854 1.00 44.44 H new ATOM 0 HA SER A 25 8.079 -4.126 -6.925 1.00 31.15 H new ATOM 0 HB2 SER A 25 10.035 -5.711 -6.933 1.00 71.10 H new ATOM 0 HB3 SER A 25 8.941 -7.077 -7.031 1.00 71.10 H new ATOM 0 HG SER A 25 9.795 -6.485 -9.109 1.00 73.32 H new ATOM 374 N ALA A 26 5.835 -6.463 -6.486 1.00 14.14 N ATOM 375 CA ALA A 26 4.655 -7.220 -7.010 1.00 4.43 C ATOM 376 C ALA A 26 3.383 -6.350 -7.088 1.00 1.43 C ATOM 377 O ALA A 26 2.289 -6.843 -7.387 1.00 40.24 O ATOM 378 CB ALA A 26 4.404 -8.460 -6.139 1.00 71.14 C ATOM 0 H ALA A 26 6.017 -6.621 -5.495 1.00 14.14 H new ATOM 0 HA ALA A 26 4.889 -7.528 -8.029 1.00 4.43 H new ATOM 0 HB1 ALA A 26 3.544 -9.008 -6.525 1.00 71.14 H new ATOM 0 HB2 ALA A 26 5.283 -9.104 -6.160 1.00 71.14 H new ATOM 0 HB3 ALA A 26 4.206 -8.150 -5.113 1.00 71.14 H new ATOM 384 N ILE A 27 3.559 -5.046 -6.849 1.00 32.22 N ATOM 385 CA ILE A 27 2.479 -4.063 -6.829 1.00 45.41 C ATOM 386 C ILE A 27 1.859 -3.824 -8.241 1.00 74.30 C ATOM 387 O ILE A 27 0.695 -3.459 -8.352 1.00 54.23 O ATOM 388 CB ILE A 27 2.988 -2.728 -6.174 1.00 35.33 C ATOM 389 CG1 ILE A 27 1.792 -1.758 -5.929 1.00 54.22 C ATOM 390 CG2 ILE A 27 4.098 -2.086 -7.038 1.00 74.31 C ATOM 391 CD1 ILE A 27 2.056 -0.572 -5.021 1.00 53.34 C ATOM 0 H ILE A 27 4.476 -4.640 -6.661 1.00 32.22 H new ATOM 0 HA ILE A 27 1.669 -4.464 -6.219 1.00 45.41 H new ATOM 0 HB ILE A 27 3.430 -2.951 -5.203 1.00 35.33 H new ATOM 0 HG12 ILE A 27 1.456 -1.380 -6.895 1.00 54.22 H new ATOM 0 HG13 ILE A 27 0.967 -2.333 -5.508 1.00 54.22 H new ATOM 0 HG21 ILE A 27 4.437 -1.163 -6.568 1.00 74.31 H new ATOM 0 HG22 ILE A 27 4.936 -2.777 -7.126 1.00 74.31 H new ATOM 0 HG23 ILE A 27 3.704 -1.864 -8.030 1.00 74.31 H new ATOM 0 HD11 ILE A 27 1.149 0.026 -4.930 1.00 53.34 H new ATOM 0 HD12 ILE A 27 2.356 -0.928 -4.036 1.00 53.34 H new ATOM 0 HD13 ILE A 27 2.853 0.040 -5.444 1.00 53.34 H new ATOM 403 N HIS A 28 2.626 -4.101 -9.319 1.00 12.11 N ATOM 404 CA HIS A 28 2.114 -4.000 -10.718 1.00 25.22 C ATOM 405 C HIS A 28 1.160 -5.172 -11.099 1.00 41.55 C ATOM 406 O HIS A 28 0.679 -5.236 -12.230 1.00 12.41 O ATOM 407 CB HIS A 28 3.299 -3.899 -11.726 1.00 3.50 C ATOM 408 CG HIS A 28 4.317 -5.018 -11.648 1.00 61.31 C ATOM 409 ND1 HIS A 28 4.030 -6.330 -11.949 1.00 52.11 N ATOM 410 CD2 HIS A 28 5.622 -5.005 -11.283 1.00 52.13 C ATOM 411 CE1 HIS A 28 5.104 -7.071 -11.769 1.00 70.03 C ATOM 412 NE2 HIS A 28 6.081 -6.295 -11.367 1.00 74.14 N ATOM 0 H HIS A 28 3.600 -4.396 -9.255 1.00 12.11 H new ATOM 0 HA HIS A 28 1.521 -3.087 -10.773 1.00 25.22 H new ATOM 0 HB2 HIS A 28 2.892 -3.871 -12.737 1.00 3.50 H new ATOM 0 HB3 HIS A 28 3.813 -2.952 -11.563 1.00 3.50 H new ATOM 0 HD2 HIS A 28 6.194 -4.140 -10.982 1.00 52.13 H new ATOM 0 HE1 HIS A 28 5.169 -8.138 -11.926 1.00 70.03 H new ATOM 0 HE2 HIS A 28 7.030 -6.601 -11.151 1.00 74.14 H new ATOM 421 N ARG A 29 0.912 -6.100 -10.151 1.00 51.41 N ATOM 422 CA ARG A 29 0.008 -7.263 -10.352 1.00 13.21 C ATOM 423 C ARG A 29 -1.419 -7.006 -9.789 1.00 74.40 C ATOM 424 O ARG A 29 -2.353 -7.755 -10.109 1.00 63.44 O ATOM 425 CB ARG A 29 0.632 -8.519 -9.687 1.00 2.12 C ATOM 426 CG ARG A 29 2.024 -8.895 -10.240 1.00 60.20 C ATOM 427 CD ARG A 29 2.658 -10.089 -9.497 1.00 12.23 C ATOM 428 NE ARG A 29 1.807 -11.294 -9.534 1.00 41.10 N ATOM 429 CZ ARG A 29 1.895 -12.277 -10.411 1.00 14.31 C ATOM 430 NH1 ARG A 29 2.751 -12.246 -11.386 1.00 12.23 N ATOM 431 NH2 ARG A 29 1.100 -13.287 -10.306 1.00 51.02 N ATOM 0 H ARG A 29 1.331 -6.068 -9.222 1.00 51.41 H new ATOM 0 HA ARG A 29 -0.099 -7.423 -11.425 1.00 13.21 H new ATOM 0 HB2 ARG A 29 0.713 -8.347 -8.614 1.00 2.12 H new ATOM 0 HB3 ARG A 29 -0.043 -9.364 -9.825 1.00 2.12 H new ATOM 0 HG2 ARG A 29 1.936 -9.137 -11.299 1.00 60.20 H new ATOM 0 HG3 ARG A 29 2.686 -8.032 -10.164 1.00 60.20 H new ATOM 0 HD2 ARG A 29 3.626 -10.318 -9.943 1.00 12.23 H new ATOM 0 HD3 ARG A 29 2.843 -9.810 -8.460 1.00 12.23 H new ATOM 0 HE ARG A 29 1.086 -11.375 -8.817 1.00 41.10 H new ATOM 0 HH11 ARG A 29 3.378 -11.448 -11.489 1.00 12.23 H new ATOM 0 HH12 ARG A 29 2.797 -13.020 -12.049 1.00 12.23 H new ATOM 0 HH21 ARG A 29 0.414 -13.320 -9.552 1.00 51.02 H new ATOM 0 HH22 ARG A 29 1.157 -14.053 -10.977 1.00 51.02 H new ATOM 445 N TRP A 30 -1.582 -5.967 -8.937 1.00 44.14 N ATOM 446 CA TRP A 30 -2.908 -5.584 -8.363 1.00 21.23 C ATOM 447 C TRP A 30 -3.226 -4.087 -8.551 1.00 40.41 C ATOM 448 O TRP A 30 -4.379 -3.719 -8.801 1.00 2.54 O ATOM 449 CB TRP A 30 -2.986 -5.957 -6.857 1.00 51.51 C ATOM 450 CG TRP A 30 -1.940 -5.322 -5.960 1.00 13.32 C ATOM 451 CD1 TRP A 30 -0.638 -5.704 -5.825 1.00 21.33 C ATOM 452 CD2 TRP A 30 -2.116 -4.216 -5.053 1.00 33.31 C ATOM 453 NE1 TRP A 30 -0.005 -4.908 -4.912 1.00 33.51 N ATOM 454 CE2 TRP A 30 -0.883 -3.990 -4.428 1.00 11.20 C ATOM 455 CE3 TRP A 30 -3.190 -3.393 -4.721 1.00 42.40 C ATOM 456 CZ2 TRP A 30 -0.693 -2.986 -3.482 1.00 3.44 C ATOM 457 CZ3 TRP A 30 -3.004 -2.398 -3.780 1.00 12.30 C ATOM 458 CH2 TRP A 30 -1.760 -2.199 -3.174 1.00 75.23 C ATOM 0 H TRP A 30 -0.813 -5.373 -8.627 1.00 44.14 H new ATOM 0 HA TRP A 30 -3.659 -6.149 -8.915 1.00 21.23 H new ATOM 0 HB2 TRP A 30 -3.972 -5.679 -6.485 1.00 51.51 H new ATOM 0 HB3 TRP A 30 -2.904 -7.040 -6.767 1.00 51.51 H new ATOM 0 HD1 TRP A 30 -0.174 -6.518 -6.362 1.00 21.33 H new ATOM 0 HE1 TRP A 30 0.974 -4.990 -4.637 1.00 33.51 H new ATOM 0 HE3 TRP A 30 -4.152 -3.530 -5.191 1.00 42.40 H new ATOM 0 HZ2 TRP A 30 0.267 -2.837 -3.010 1.00 3.44 H new ATOM 0 HZ3 TRP A 30 -3.834 -1.763 -3.508 1.00 12.30 H new ATOM 0 HH2 TRP A 30 -1.644 -1.407 -2.449 1.00 75.23 H new ATOM 469 N HIS A 31 -2.204 -3.223 -8.418 1.00 24.14 N ATOM 470 CA HIS A 31 -2.385 -1.759 -8.443 1.00 61.21 C ATOM 471 C HIS A 31 -2.271 -1.224 -9.900 1.00 62.01 C ATOM 472 O HIS A 31 -1.189 -1.303 -10.496 1.00 1.22 O ATOM 473 CB HIS A 31 -1.350 -1.071 -7.530 1.00 74.04 C ATOM 474 CG HIS A 31 -1.675 0.367 -7.249 1.00 14.34 C ATOM 475 ND1 HIS A 31 -1.485 1.349 -8.187 1.00 51.01 N ATOM 476 CD2 HIS A 31 -2.233 0.910 -6.155 1.00 12.02 C ATOM 477 CE1 HIS A 31 -1.944 2.451 -7.640 1.00 1.24 C ATOM 478 NE2 HIS A 31 -2.406 2.236 -6.408 1.00 12.32 N ATOM 0 H HIS A 31 -1.235 -3.516 -8.291 1.00 24.14 H new ATOM 0 HA HIS A 31 -3.381 -1.526 -8.067 1.00 61.21 H new ATOM 0 HB2 HIS A 31 -1.289 -1.614 -6.587 1.00 74.04 H new ATOM 0 HB3 HIS A 31 -0.367 -1.130 -7.997 1.00 74.04 H new ATOM 0 HD2 HIS A 31 -2.495 0.392 -5.245 1.00 12.02 H new ATOM 0 HE1 HIS A 31 -1.947 3.414 -8.129 1.00 1.24 H new ATOM 0 HE2 HIS A 31 -2.810 2.929 -5.778 1.00 12.32 H new ATOM 486 N PRO A 32 -3.379 -0.650 -10.488 1.00 5.45 N ATOM 487 CA PRO A 32 -3.450 -0.310 -11.940 1.00 22.13 C ATOM 488 C PRO A 32 -2.546 0.875 -12.379 1.00 45.34 C ATOM 489 O PRO A 32 -2.179 0.963 -13.554 1.00 5.52 O ATOM 490 CB PRO A 32 -4.962 0.019 -12.171 1.00 22.35 C ATOM 491 CG PRO A 32 -5.662 -0.449 -10.923 1.00 2.12 C ATOM 492 CD PRO A 32 -4.652 -0.293 -9.808 1.00 23.04 C ATOM 0 HA PRO A 32 -3.076 -1.138 -12.542 1.00 22.13 H new ATOM 0 HB2 PRO A 32 -5.113 1.087 -12.330 1.00 22.35 H new ATOM 0 HB3 PRO A 32 -5.346 -0.493 -13.054 1.00 22.35 H new ATOM 0 HG2 PRO A 32 -6.555 0.144 -10.729 1.00 2.12 H new ATOM 0 HG3 PRO A 32 -5.983 -1.486 -11.019 1.00 2.12 H new ATOM 0 HD2 PRO A 32 -4.633 0.723 -9.415 1.00 23.04 H new ATOM 0 HD3 PRO A 32 -4.866 -0.955 -8.969 1.00 23.04 H new ATOM 500 N GLN A 33 -2.181 1.779 -11.442 1.00 73.13 N ATOM 501 CA GLN A 33 -1.401 3.005 -11.785 1.00 34.30 C ATOM 502 C GLN A 33 0.119 2.723 -11.886 1.00 13.34 C ATOM 503 O GLN A 33 0.861 3.550 -12.423 1.00 24.34 O ATOM 504 CB GLN A 33 -1.651 4.175 -10.774 1.00 53.30 C ATOM 505 CG GLN A 33 -3.076 4.793 -10.783 1.00 43.42 C ATOM 506 CD GLN A 33 -4.142 3.943 -10.089 1.00 44.32 C ATOM 507 OE1 GLN A 33 -4.388 4.081 -8.896 1.00 60.23 O ATOM 508 NE2 GLN A 33 -4.770 3.048 -10.825 1.00 72.12 N ATOM 0 H GLN A 33 -2.408 1.691 -10.451 1.00 73.13 H new ATOM 0 HA GLN A 33 -1.763 3.315 -12.765 1.00 34.30 H new ATOM 0 HB2 GLN A 33 -1.442 3.810 -9.768 1.00 53.30 H new ATOM 0 HB3 GLN A 33 -0.932 4.967 -10.982 1.00 53.30 H new ATOM 0 HG2 GLN A 33 -3.038 5.770 -10.300 1.00 43.42 H new ATOM 0 HG3 GLN A 33 -3.379 4.960 -11.817 1.00 43.42 H new ATOM 0 HE21 GLN A 33 -4.546 2.954 -11.816 1.00 72.12 H new ATOM 0 HE22 GLN A 33 -5.480 2.449 -10.404 1.00 72.12 H new ATOM 517 N VAL A 34 0.573 1.567 -11.363 1.00 31.35 N ATOM 518 CA VAL A 34 2.007 1.187 -11.372 1.00 23.14 C ATOM 519 C VAL A 34 2.511 0.829 -12.798 1.00 54.51 C ATOM 520 O VAL A 34 2.005 -0.101 -13.430 1.00 15.50 O ATOM 521 CB VAL A 34 2.258 -0.015 -10.391 1.00 52.20 C ATOM 522 CG1 VAL A 34 3.740 -0.478 -10.393 1.00 41.20 C ATOM 523 CG2 VAL A 34 1.795 0.351 -8.965 1.00 24.11 C ATOM 0 H VAL A 34 -0.034 0.874 -10.926 1.00 31.35 H new ATOM 0 HA VAL A 34 2.574 2.055 -11.035 1.00 23.14 H new ATOM 0 HB VAL A 34 1.666 -0.857 -10.748 1.00 52.20 H new ATOM 0 HG11 VAL A 34 3.862 -1.310 -9.700 1.00 41.20 H new ATOM 0 HG12 VAL A 34 4.020 -0.798 -11.397 1.00 41.20 H new ATOM 0 HG13 VAL A 34 4.380 0.349 -10.084 1.00 41.20 H new ATOM 0 HG21 VAL A 34 1.975 -0.491 -8.297 1.00 24.11 H new ATOM 0 HG22 VAL A 34 2.352 1.219 -8.613 1.00 24.11 H new ATOM 0 HG23 VAL A 34 0.730 0.584 -8.977 1.00 24.11 H new ATOM 533 N SER A 35 3.531 1.572 -13.276 1.00 13.11 N ATOM 534 CA SER A 35 4.176 1.350 -14.605 1.00 31.25 C ATOM 535 C SER A 35 5.425 0.426 -14.511 1.00 12.24 C ATOM 536 O SER A 35 6.262 0.420 -15.425 1.00 24.04 O ATOM 537 CB SER A 35 4.580 2.713 -15.220 1.00 60.11 C ATOM 538 OG SER A 35 3.453 3.558 -15.413 1.00 14.02 O ATOM 0 H SER A 35 3.939 2.349 -12.755 1.00 13.11 H new ATOM 0 HA SER A 35 3.448 0.849 -15.243 1.00 31.25 H new ATOM 0 HB2 SER A 35 5.298 3.208 -14.567 1.00 60.11 H new ATOM 0 HB3 SER A 35 5.079 2.548 -16.175 1.00 60.11 H new ATOM 0 HG SER A 35 3.753 4.486 -15.510 1.00 14.02 H new ATOM 544 N ALA A 36 5.503 -0.367 -13.412 1.00 42.43 N ATOM 545 CA ALA A 36 6.631 -1.282 -13.080 1.00 12.51 C ATOM 546 C ALA A 36 7.926 -0.501 -12.674 1.00 51.23 C ATOM 547 O ALA A 36 8.555 0.153 -13.514 1.00 34.15 O ATOM 548 CB ALA A 36 6.912 -2.306 -14.204 1.00 1.02 C ATOM 0 H ALA A 36 4.763 -0.390 -12.711 1.00 42.43 H new ATOM 0 HA ALA A 36 6.313 -1.852 -12.207 1.00 12.51 H new ATOM 0 HB1 ALA A 36 7.743 -2.948 -13.912 1.00 1.02 H new ATOM 0 HB2 ALA A 36 6.024 -2.915 -14.372 1.00 1.02 H new ATOM 0 HB3 ALA A 36 7.168 -1.777 -15.122 1.00 1.02 H new ATOM 554 N PRO A 37 8.333 -0.550 -11.362 1.00 44.12 N ATOM 555 CA PRO A 37 9.556 0.141 -10.860 1.00 74.54 C ATOM 556 C PRO A 37 10.870 -0.687 -11.017 1.00 33.13 C ATOM 557 O PRO A 37 10.846 -1.889 -11.309 1.00 25.45 O ATOM 558 CB PRO A 37 9.195 0.363 -9.376 1.00 44.40 C ATOM 559 CG PRO A 37 8.396 -0.862 -9.005 1.00 74.31 C ATOM 560 CD PRO A 37 7.626 -1.262 -10.254 1.00 74.44 C ATOM 0 HA PRO A 37 9.782 1.048 -11.420 1.00 74.54 H new ATOM 0 HB2 PRO A 37 10.088 0.459 -8.758 1.00 44.40 H new ATOM 0 HB3 PRO A 37 8.614 1.275 -9.239 1.00 44.40 H new ATOM 0 HG2 PRO A 37 9.051 -1.669 -8.677 1.00 74.31 H new ATOM 0 HG3 PRO A 37 7.716 -0.648 -8.181 1.00 74.31 H new ATOM 0 HD2 PRO A 37 7.639 -2.342 -10.402 1.00 74.44 H new ATOM 0 HD3 PRO A 37 6.580 -0.962 -10.191 1.00 74.44 H new ATOM 568 N THR A 38 12.015 -0.010 -10.795 1.00 53.35 N ATOM 569 CA THR A 38 13.380 -0.600 -10.885 1.00 13.34 C ATOM 570 C THR A 38 13.927 -0.895 -9.471 1.00 13.31 C ATOM 571 O THR A 38 13.947 -0.003 -8.617 1.00 61.01 O ATOM 572 CB THR A 38 14.352 0.377 -11.637 1.00 2.44 C ATOM 573 OG1 THR A 38 13.815 0.676 -12.937 1.00 12.30 O ATOM 574 CG2 THR A 38 15.775 -0.198 -11.802 1.00 24.14 C ATOM 0 H THR A 38 12.025 0.978 -10.544 1.00 53.35 H new ATOM 0 HA THR A 38 13.316 -1.533 -11.445 1.00 13.34 H new ATOM 0 HB THR A 38 14.433 1.278 -11.028 1.00 2.44 H new ATOM 0 HG1 THR A 38 14.419 1.287 -13.408 1.00 12.30 H new ATOM 0 HG21 THR A 38 16.400 0.523 -12.329 1.00 24.14 H new ATOM 0 HG22 THR A 38 16.202 -0.399 -10.820 1.00 24.14 H new ATOM 0 HG23 THR A 38 15.729 -1.125 -12.374 1.00 24.14 H new ATOM 582 N LEU A 39 14.388 -2.135 -9.233 1.00 54.43 N ATOM 583 CA LEU A 39 14.761 -2.606 -7.878 1.00 25.24 C ATOM 584 C LEU A 39 16.263 -2.401 -7.557 1.00 53.32 C ATOM 585 O LEU A 39 17.154 -2.846 -8.283 1.00 50.40 O ATOM 586 CB LEU A 39 14.323 -4.094 -7.656 1.00 12.13 C ATOM 587 CG LEU A 39 12.858 -4.298 -7.146 1.00 12.53 C ATOM 588 CD1 LEU A 39 12.661 -3.652 -5.757 1.00 44.32 C ATOM 589 CD2 LEU A 39 11.822 -3.770 -8.160 1.00 54.24 C ATOM 0 H LEU A 39 14.513 -2.836 -9.963 1.00 54.43 H new ATOM 0 HA LEU A 39 14.214 -1.982 -7.172 1.00 25.24 H new ATOM 0 HB2 LEU A 39 14.440 -4.633 -8.596 1.00 12.13 H new ATOM 0 HB3 LEU A 39 15.005 -4.552 -6.940 1.00 12.13 H new ATOM 0 HG LEU A 39 12.693 -5.371 -7.045 1.00 12.53 H new ATOM 0 HD11 LEU A 39 11.634 -3.808 -5.425 1.00 44.32 H new ATOM 0 HD12 LEU A 39 13.346 -4.109 -5.043 1.00 44.32 H new ATOM 0 HD13 LEU A 39 12.863 -2.583 -5.821 1.00 44.32 H new ATOM 0 HD21 LEU A 39 10.817 -3.930 -7.770 1.00 54.24 H new ATOM 0 HD22 LEU A 39 11.983 -2.704 -8.323 1.00 54.24 H new ATOM 0 HD23 LEU A 39 11.933 -4.302 -9.105 1.00 54.24 H new ATOM 601 N ARG A 40 16.487 -1.709 -6.436 1.00 4.24 N ATOM 602 CA ARG A 40 17.789 -1.461 -5.803 1.00 34.42 C ATOM 603 C ARG A 40 18.098 -2.543 -4.737 1.00 72.51 C ATOM 604 O ARG A 40 17.293 -3.462 -4.527 1.00 51.33 O ATOM 605 CB ARG A 40 17.808 -0.039 -5.185 1.00 1.52 C ATOM 606 CG ARG A 40 17.657 1.119 -6.198 1.00 5.14 C ATOM 607 CD ARG A 40 18.827 1.186 -7.200 1.00 42.12 C ATOM 608 NE ARG A 40 18.726 2.331 -8.116 1.00 34.20 N ATOM 609 CZ ARG A 40 19.559 2.606 -9.097 1.00 10.23 C ATOM 610 NH1 ARG A 40 20.526 1.805 -9.421 1.00 20.33 N ATOM 611 NH2 ARG A 40 19.406 3.699 -9.760 1.00 14.33 N ATOM 0 H ARG A 40 15.721 -1.282 -5.915 1.00 4.24 H new ATOM 0 HA ARG A 40 18.570 -1.519 -6.561 1.00 34.42 H new ATOM 0 HB2 ARG A 40 17.004 0.033 -4.453 1.00 1.52 H new ATOM 0 HB3 ARG A 40 18.745 0.092 -4.644 1.00 1.52 H new ATOM 0 HG2 ARG A 40 16.722 0.999 -6.745 1.00 5.14 H new ATOM 0 HG3 ARG A 40 17.592 2.063 -5.658 1.00 5.14 H new ATOM 0 HD2 ARG A 40 19.767 1.247 -6.651 1.00 42.12 H new ATOM 0 HD3 ARG A 40 18.856 0.264 -7.780 1.00 42.12 H new ATOM 0 HE ARG A 40 17.941 2.968 -7.979 1.00 34.20 H new ATOM 0 HH11 ARG A 40 20.658 0.932 -8.910 1.00 20.33 H new ATOM 0 HH12 ARG A 40 21.154 2.048 -10.187 1.00 20.33 H new ATOM 0 HH21 ARG A 40 18.647 4.338 -9.522 1.00 14.33 H new ATOM 0 HH22 ARG A 40 20.044 3.926 -10.523 1.00 14.33 H new ATOM 625 N GLY A 41 19.219 -2.353 -4.005 1.00 71.33 N ATOM 626 CA GLY A 41 19.874 -3.433 -3.241 1.00 71.41 C ATOM 627 C GLY A 41 19.811 -4.857 -3.843 1.00 32.34 C ATOM 628 O GLY A 41 20.153 -5.071 -5.014 1.00 22.55 O ATOM 0 H GLY A 41 19.691 -1.452 -3.929 1.00 71.33 H new ATOM 0 HA2 GLY A 41 20.923 -3.167 -3.109 1.00 71.41 H new ATOM 0 HA3 GLY A 41 19.426 -3.465 -2.248 1.00 71.41 H new ATOM 632 N ALA A 42 19.373 -5.823 -3.010 1.00 44.44 N ATOM 633 CA ALA A 42 19.359 -7.265 -3.348 1.00 75.14 C ATOM 634 C ALA A 42 17.967 -7.741 -3.860 1.00 72.44 C ATOM 635 O ALA A 42 17.751 -7.863 -5.069 1.00 32.33 O ATOM 636 CB ALA A 42 19.811 -8.069 -2.112 1.00 42.23 C ATOM 0 H ALA A 42 19.016 -5.625 -2.075 1.00 44.44 H new ATOM 0 HA ALA A 42 20.053 -7.437 -4.171 1.00 75.14 H new ATOM 0 HB1 ALA A 42 19.805 -9.133 -2.348 1.00 42.23 H new ATOM 0 HB2 ALA A 42 20.819 -7.766 -1.829 1.00 42.23 H new ATOM 0 HB3 ALA A 42 19.129 -7.877 -1.284 1.00 42.23 H new ATOM 642 N SER A 43 17.024 -7.991 -2.923 1.00 53.42 N ATOM 643 CA SER A 43 15.696 -8.601 -3.224 1.00 14.22 C ATOM 644 C SER A 43 14.545 -7.678 -2.775 1.00 24.24 C ATOM 645 O SER A 43 14.637 -7.081 -1.707 1.00 61.40 O ATOM 646 CB SER A 43 15.564 -9.962 -2.491 1.00 22.22 C ATOM 647 OG SER A 43 14.269 -10.535 -2.660 1.00 65.21 O ATOM 0 H SER A 43 17.157 -7.778 -1.934 1.00 53.42 H new ATOM 0 HA SER A 43 15.631 -8.746 -4.302 1.00 14.22 H new ATOM 0 HB2 SER A 43 16.318 -10.652 -2.869 1.00 22.22 H new ATOM 0 HB3 SER A 43 15.763 -9.823 -1.428 1.00 22.22 H new ATOM 0 HG SER A 43 14.226 -11.391 -2.186 1.00 65.21 H new ATOM 653 N PRO A 44 13.425 -7.569 -3.564 1.00 33.24 N ATOM 654 CA PRO A 44 12.210 -6.781 -3.165 1.00 11.14 C ATOM 655 C PRO A 44 11.494 -7.318 -1.884 1.00 1.03 C ATOM 656 O PRO A 44 10.559 -6.694 -1.383 1.00 44.14 O ATOM 657 CB PRO A 44 11.292 -6.888 -4.413 1.00 22.33 C ATOM 658 CG PRO A 44 11.762 -8.124 -5.121 1.00 44.23 C ATOM 659 CD PRO A 44 13.257 -8.164 -4.918 1.00 34.21 C ATOM 0 HA PRO A 44 12.472 -5.759 -2.893 1.00 11.14 H new ATOM 0 HB2 PRO A 44 10.243 -6.969 -4.128 1.00 22.33 H new ATOM 0 HB3 PRO A 44 11.383 -6.008 -5.049 1.00 22.33 H new ATOM 0 HG2 PRO A 44 11.287 -9.015 -4.711 1.00 44.23 H new ATOM 0 HG3 PRO A 44 11.511 -8.088 -6.181 1.00 44.23 H new ATOM 0 HD2 PRO A 44 13.644 -9.182 -4.963 1.00 34.21 H new ATOM 0 HD3 PRO A 44 13.784 -7.589 -5.680 1.00 34.21 H new ATOM 667 N HIS A 45 11.917 -8.493 -1.387 1.00 51.32 N ATOM 668 CA HIS A 45 11.461 -9.026 -0.083 1.00 12.54 C ATOM 669 C HIS A 45 12.358 -8.519 1.081 1.00 44.34 C ATOM 670 O HIS A 45 11.914 -8.453 2.229 1.00 62.02 O ATOM 671 CB HIS A 45 11.459 -10.573 -0.102 1.00 74.44 C ATOM 672 CG HIS A 45 10.467 -11.192 -1.052 1.00 33.45 C ATOM 673 ND1 HIS A 45 9.127 -11.339 -0.751 1.00 32.55 N ATOM 674 CD2 HIS A 45 10.626 -11.725 -2.289 1.00 33.54 C ATOM 675 CE1 HIS A 45 8.514 -11.934 -1.748 1.00 20.20 C ATOM 676 NE2 HIS A 45 9.394 -12.178 -2.695 1.00 2.54 N ATOM 0 H HIS A 45 12.580 -9.099 -1.870 1.00 51.32 H new ATOM 0 HA HIS A 45 10.446 -8.665 0.083 1.00 12.54 H new ATOM 0 HB2 HIS A 45 12.458 -10.920 -0.365 1.00 74.44 H new ATOM 0 HB3 HIS A 45 11.251 -10.934 0.905 1.00 74.44 H new ATOM 0 HD2 HIS A 45 11.547 -11.783 -2.849 1.00 33.54 H new ATOM 0 HE1 HIS A 45 7.463 -12.182 -1.785 1.00 20.20 H new ATOM 0 HE2 HIS A 45 9.194 -12.631 -3.587 1.00 2.54 H new ATOM 685 N THR A 46 13.621 -8.176 0.760 1.00 55.54 N ATOM 686 CA THR A 46 14.654 -7.777 1.755 1.00 71.10 C ATOM 687 C THR A 46 14.469 -6.317 2.252 1.00 43.45 C ATOM 688 O THR A 46 14.436 -5.393 1.431 1.00 71.12 O ATOM 689 CB THR A 46 16.096 -7.929 1.141 1.00 75.34 C ATOM 690 OG1 THR A 46 16.299 -9.283 0.699 1.00 32.12 O ATOM 691 CG2 THR A 46 17.211 -7.555 2.140 1.00 13.01 C ATOM 0 H THR A 46 13.962 -8.166 -0.201 1.00 55.54 H new ATOM 0 HA THR A 46 14.535 -8.443 2.610 1.00 71.10 H new ATOM 0 HB THR A 46 16.156 -7.236 0.301 1.00 75.34 H new ATOM 0 HG1 THR A 46 17.197 -9.371 0.316 1.00 32.12 H new ATOM 0 HG21 THR A 46 18.183 -7.679 1.663 1.00 13.01 H new ATOM 0 HG22 THR A 46 17.088 -6.517 2.450 1.00 13.01 H new ATOM 0 HG23 THR A 46 17.150 -8.205 3.013 1.00 13.01 H new ATOM 699 N PRO A 47 14.322 -6.090 3.607 1.00 4.53 N ATOM 700 CA PRO A 47 14.339 -4.725 4.212 1.00 4.24 C ATOM 701 C PRO A 47 15.644 -3.950 3.869 1.00 33.11 C ATOM 702 O PRO A 47 16.718 -4.241 4.409 1.00 10.14 O ATOM 703 CB PRO A 47 14.204 -5.001 5.745 1.00 52.22 C ATOM 704 CG PRO A 47 14.556 -6.452 5.911 1.00 13.41 C ATOM 705 CD PRO A 47 14.087 -7.128 4.645 1.00 40.32 C ATOM 0 HA PRO A 47 13.542 -4.087 3.830 1.00 4.24 H new ATOM 0 HB2 PRO A 47 14.875 -4.364 6.321 1.00 52.22 H new ATOM 0 HB3 PRO A 47 13.192 -4.798 6.095 1.00 52.22 H new ATOM 0 HG2 PRO A 47 15.629 -6.582 6.051 1.00 13.41 H new ATOM 0 HG3 PRO A 47 14.066 -6.877 6.787 1.00 13.41 H new ATOM 0 HD2 PRO A 47 14.651 -8.038 4.441 1.00 40.32 H new ATOM 0 HD3 PRO A 47 13.036 -7.410 4.703 1.00 40.32 H new ATOM 713 N GLY A 48 15.533 -3.002 2.920 1.00 24.43 N ATOM 714 CA GLY A 48 16.688 -2.247 2.411 1.00 35.53 C ATOM 715 C GLY A 48 16.571 -1.952 0.917 1.00 50.32 C ATOM 716 O GLY A 48 16.989 -0.885 0.457 1.00 13.03 O ATOM 0 H GLY A 48 14.646 -2.741 2.489 1.00 24.43 H new ATOM 0 HA2 GLY A 48 16.777 -1.309 2.959 1.00 35.53 H new ATOM 0 HA3 GLY A 48 17.601 -2.813 2.598 1.00 35.53 H new ATOM 720 N ALA A 49 16.000 -2.913 0.162 1.00 23.42 N ATOM 721 CA ALA A 49 15.776 -2.776 -1.298 1.00 30.33 C ATOM 722 C ALA A 49 14.783 -1.627 -1.618 1.00 0.40 C ATOM 723 O ALA A 49 13.856 -1.367 -0.845 1.00 12.14 O ATOM 724 CB ALA A 49 15.258 -4.091 -1.876 1.00 1.11 C ATOM 0 H ALA A 49 15.681 -3.804 0.542 1.00 23.42 H new ATOM 0 HA ALA A 49 16.732 -2.530 -1.759 1.00 30.33 H new ATOM 0 HB1 ALA A 49 15.097 -3.979 -2.948 1.00 1.11 H new ATOM 0 HB2 ALA A 49 15.990 -4.879 -1.699 1.00 1.11 H new ATOM 0 HB3 ALA A 49 14.317 -4.355 -1.394 1.00 1.11 H new ATOM 730 N GLU A 50 14.964 -0.964 -2.771 1.00 41.14 N ATOM 731 CA GLU A 50 14.186 0.255 -3.135 1.00 35.00 C ATOM 732 C GLU A 50 13.485 0.081 -4.496 1.00 63.45 C ATOM 733 O GLU A 50 14.064 -0.477 -5.419 1.00 30.53 O ATOM 734 CB GLU A 50 15.131 1.486 -3.192 1.00 73.44 C ATOM 735 CG GLU A 50 15.985 1.700 -1.931 1.00 32.25 C ATOM 736 CD GLU A 50 16.955 2.879 -2.064 1.00 21.41 C ATOM 737 OE1 GLU A 50 18.082 2.679 -2.557 1.00 31.24 O ATOM 738 OE2 GLU A 50 16.597 4.005 -1.658 1.00 53.22 O ATOM 0 H GLU A 50 15.644 -1.245 -3.478 1.00 41.14 H new ATOM 0 HA GLU A 50 13.424 0.410 -2.372 1.00 35.00 H new ATOM 0 HB2 GLU A 50 15.795 1.378 -4.050 1.00 73.44 H new ATOM 0 HB3 GLU A 50 14.531 2.380 -3.364 1.00 73.44 H new ATOM 0 HG2 GLU A 50 15.329 1.870 -1.078 1.00 32.25 H new ATOM 0 HG3 GLU A 50 16.551 0.792 -1.722 1.00 32.25 H new ATOM 745 N ARG A 51 12.236 0.570 -4.621 1.00 24.35 N ATOM 746 CA ARG A 51 11.510 0.562 -5.908 1.00 54.51 C ATOM 747 C ARG A 51 11.479 2.000 -6.501 1.00 42.24 C ATOM 748 O ARG A 51 10.890 2.924 -5.932 1.00 74.12 O ATOM 749 CB ARG A 51 10.086 -0.063 -5.748 1.00 33.24 C ATOM 750 CG ARG A 51 9.035 0.768 -4.979 1.00 61.33 C ATOM 751 CD ARG A 51 7.691 0.035 -4.838 1.00 52.41 C ATOM 752 NE ARG A 51 6.673 0.866 -4.154 1.00 33.13 N ATOM 753 CZ ARG A 51 5.437 1.061 -4.568 1.00 30.44 C ATOM 754 NH1 ARG A 51 5.043 0.637 -5.719 1.00 3.35 N ATOM 755 NH2 ARG A 51 4.623 1.742 -3.834 1.00 21.54 N ATOM 0 H ARG A 51 11.708 0.975 -3.848 1.00 24.35 H new ATOM 0 HA ARG A 51 12.038 -0.074 -6.619 1.00 54.51 H new ATOM 0 HB2 ARG A 51 9.693 -0.268 -6.744 1.00 33.24 H new ATOM 0 HB3 ARG A 51 10.193 -1.023 -5.244 1.00 33.24 H new ATOM 0 HG2 ARG A 51 9.420 1.007 -3.988 1.00 61.33 H new ATOM 0 HG3 ARG A 51 8.876 1.714 -5.496 1.00 61.33 H new ATOM 0 HD2 ARG A 51 7.326 -0.245 -5.826 1.00 52.41 H new ATOM 0 HD3 ARG A 51 7.839 -0.889 -4.279 1.00 52.41 H new ATOM 0 HE ARG A 51 6.953 1.327 -3.288 1.00 33.13 H new ATOM 0 HH11 ARG A 51 5.692 0.140 -6.329 1.00 3.35 H new ATOM 0 HH12 ARG A 51 4.082 0.798 -6.020 1.00 3.35 H new ATOM 0 HH21 ARG A 51 4.938 2.124 -2.942 1.00 21.54 H new ATOM 0 HH22 ARG A 51 3.664 1.898 -4.146 1.00 21.54 H new ATOM 769 N VAL A 52 12.178 2.181 -7.632 1.00 53.24 N ATOM 770 CA VAL A 52 12.314 3.488 -8.309 1.00 13.22 C ATOM 771 C VAL A 52 11.550 3.465 -9.651 1.00 30.42 C ATOM 772 O VAL A 52 12.035 2.901 -10.639 1.00 11.54 O ATOM 773 CB VAL A 52 13.828 3.856 -8.558 1.00 23.24 C ATOM 774 CG1 VAL A 52 13.967 5.273 -9.186 1.00 55.21 C ATOM 775 CG2 VAL A 52 14.653 3.733 -7.249 1.00 13.50 C ATOM 0 H VAL A 52 12.669 1.424 -8.108 1.00 53.24 H new ATOM 0 HA VAL A 52 11.887 4.251 -7.658 1.00 13.22 H new ATOM 0 HB VAL A 52 14.233 3.140 -9.273 1.00 23.24 H new ATOM 0 HG11 VAL A 52 15.021 5.498 -9.346 1.00 55.21 H new ATOM 0 HG12 VAL A 52 13.441 5.301 -10.140 1.00 55.21 H new ATOM 0 HG13 VAL A 52 13.536 6.013 -8.512 1.00 55.21 H new ATOM 0 HG21 VAL A 52 15.693 3.992 -7.449 1.00 13.50 H new ATOM 0 HG22 VAL A 52 14.248 4.411 -6.498 1.00 13.50 H new ATOM 0 HG23 VAL A 52 14.599 2.709 -6.880 1.00 13.50 H new ATOM 785 N PHE A 53 10.337 4.040 -9.657 1.00 64.01 N ATOM 786 CA PHE A 53 9.529 4.217 -10.889 1.00 50.32 C ATOM 787 C PHE A 53 10.299 5.072 -11.907 1.00 60.20 C ATOM 788 O PHE A 53 10.884 6.073 -11.521 1.00 41.53 O ATOM 789 CB PHE A 53 8.170 4.890 -10.561 1.00 74.33 C ATOM 790 CG PHE A 53 7.219 4.017 -9.748 1.00 51.41 C ATOM 791 CD1 PHE A 53 7.443 3.769 -8.392 1.00 40.32 C ATOM 792 CD2 PHE A 53 6.092 3.447 -10.340 1.00 31.44 C ATOM 793 CE1 PHE A 53 6.574 2.983 -7.660 1.00 30.34 C ATOM 794 CE2 PHE A 53 5.227 2.666 -9.608 1.00 41.51 C ATOM 795 CZ PHE A 53 5.466 2.433 -8.271 1.00 24.21 C ATOM 0 H PHE A 53 9.884 4.396 -8.815 1.00 64.01 H new ATOM 0 HA PHE A 53 9.337 3.233 -11.317 1.00 50.32 H new ATOM 0 HB2 PHE A 53 8.358 5.812 -10.012 1.00 74.33 H new ATOM 0 HB3 PHE A 53 7.681 5.169 -11.494 1.00 74.33 H new ATOM 0 HD1 PHE A 53 8.308 4.198 -7.908 1.00 40.32 H new ATOM 0 HD2 PHE A 53 5.895 3.621 -11.388 1.00 31.44 H new ATOM 0 HE1 PHE A 53 6.762 2.800 -6.612 1.00 30.34 H new ATOM 0 HE2 PHE A 53 4.358 2.234 -10.083 1.00 41.51 H new ATOM 0 HZ PHE A 53 4.785 1.819 -7.701 1.00 24.21 H new ATOM 805 N GLY A 54 10.322 4.645 -13.185 1.00 54.24 N ATOM 806 CA GLY A 54 10.984 5.398 -14.264 1.00 53.10 C ATOM 807 C GLY A 54 12.525 5.383 -14.212 1.00 44.30 C ATOM 808 O GLY A 54 13.170 4.819 -15.106 1.00 31.10 O ATOM 0 H GLY A 54 9.886 3.776 -13.495 1.00 54.24 H new ATOM 0 HA2 GLY A 54 10.663 4.990 -15.222 1.00 53.10 H new ATOM 0 HA3 GLY A 54 10.643 6.433 -14.228 1.00 53.10 H new ATOM 812 N ALA A 55 13.093 6.048 -13.173 1.00 61.02 N ATOM 813 CA ALA A 55 14.551 6.174 -12.927 1.00 61.22 C ATOM 814 C ALA A 55 15.212 7.126 -13.957 1.00 42.54 C ATOM 815 O ALA A 55 15.558 6.725 -15.074 1.00 13.24 O ATOM 816 CB ALA A 55 15.254 4.797 -12.861 1.00 13.14 C ATOM 0 H ALA A 55 12.533 6.524 -12.465 1.00 61.02 H new ATOM 0 HA ALA A 55 14.678 6.625 -11.943 1.00 61.22 H new ATOM 0 HB1 ALA A 55 16.319 4.941 -12.679 1.00 13.14 H new ATOM 0 HB2 ALA A 55 14.824 4.207 -12.051 1.00 13.14 H new ATOM 0 HB3 ALA A 55 15.115 4.272 -13.806 1.00 13.14 H new ATOM 822 N GLY A 56 15.363 8.402 -13.560 1.00 31.24 N ATOM 823 CA GLY A 56 15.853 9.462 -14.447 1.00 55.12 C ATOM 824 C GLY A 56 14.788 9.979 -15.431 1.00 25.30 C ATOM 825 O GLY A 56 15.127 10.524 -16.489 1.00 21.11 O ATOM 0 H GLY A 56 15.148 8.723 -12.616 1.00 31.24 H new ATOM 0 HA2 GLY A 56 16.212 10.294 -13.842 1.00 55.12 H new ATOM 0 HA3 GLY A 56 16.707 9.087 -15.012 1.00 55.12 H new ATOM 829 N THR A 57 13.495 9.808 -15.074 1.00 41.31 N ATOM 830 CA THR A 57 12.343 10.215 -15.929 1.00 0.11 C ATOM 831 C THR A 57 11.406 11.192 -15.182 1.00 63.14 C ATOM 832 O THR A 57 11.566 11.425 -13.978 1.00 61.10 O ATOM 833 CB THR A 57 11.493 8.977 -16.401 1.00 50.34 C ATOM 834 OG1 THR A 57 10.798 8.398 -15.282 1.00 44.21 O ATOM 835 CG2 THR A 57 12.361 7.898 -17.084 1.00 35.34 C ATOM 0 H THR A 57 13.215 9.386 -14.189 1.00 41.31 H new ATOM 0 HA THR A 57 12.773 10.708 -16.801 1.00 0.11 H new ATOM 0 HB THR A 57 10.776 9.341 -17.137 1.00 50.34 H new ATOM 0 HG1 THR A 57 9.960 7.994 -15.591 1.00 44.21 H new ATOM 0 HG21 THR A 57 11.730 7.064 -17.392 1.00 35.34 H new ATOM 0 HG22 THR A 57 12.850 8.325 -17.959 1.00 35.34 H new ATOM 0 HG23 THR A 57 13.116 7.542 -16.384 1.00 35.34 H new ATOM 843 N GLU A 58 10.415 11.742 -15.914 1.00 35.03 N ATOM 844 CA GLU A 58 9.377 12.642 -15.350 1.00 50.51 C ATOM 845 C GLU A 58 8.413 11.882 -14.399 1.00 73.23 C ATOM 846 O GLU A 58 8.013 12.408 -13.352 1.00 53.41 O ATOM 847 CB GLU A 58 8.593 13.303 -16.509 1.00 51.20 C ATOM 848 CG GLU A 58 9.472 14.169 -17.443 1.00 1.40 C ATOM 849 CD GLU A 58 8.759 14.556 -18.747 1.00 11.24 C ATOM 850 OE1 GLU A 58 7.919 15.479 -18.728 1.00 3.11 O ATOM 851 OE2 GLU A 58 9.016 13.919 -19.794 1.00 43.04 O ATOM 0 H GLU A 58 10.308 11.577 -16.915 1.00 35.03 H new ATOM 0 HA GLU A 58 9.870 13.411 -14.756 1.00 50.51 H new ATOM 0 HB2 GLU A 58 8.110 12.524 -17.099 1.00 51.20 H new ATOM 0 HB3 GLU A 58 7.801 13.924 -16.092 1.00 51.20 H new ATOM 0 HG2 GLU A 58 9.770 15.075 -16.916 1.00 1.40 H new ATOM 0 HG3 GLU A 58 10.385 13.624 -17.682 1.00 1.40 H new ATOM 858 N GLU A 59 8.049 10.638 -14.773 1.00 14.31 N ATOM 859 CA GLU A 59 7.246 9.735 -13.912 1.00 41.52 C ATOM 860 C GLU A 59 8.191 8.877 -13.024 1.00 33.33 C ATOM 861 O GLU A 59 8.325 7.658 -13.199 1.00 34.03 O ATOM 862 CB GLU A 59 6.309 8.856 -14.791 1.00 13.11 C ATOM 863 CG GLU A 59 5.355 7.917 -14.013 1.00 15.14 C ATOM 864 CD GLU A 59 4.523 7.004 -14.933 1.00 74.24 C ATOM 865 OE1 GLU A 59 5.120 6.150 -15.628 1.00 31.24 O ATOM 866 OE2 GLU A 59 3.279 7.141 -14.987 1.00 52.22 O ATOM 0 H GLU A 59 8.300 10.230 -15.674 1.00 14.31 H new ATOM 0 HA GLU A 59 6.613 10.323 -13.248 1.00 41.52 H new ATOM 0 HB2 GLU A 59 5.710 9.512 -15.422 1.00 13.11 H new ATOM 0 HB3 GLU A 59 6.925 8.250 -15.455 1.00 13.11 H new ATOM 0 HG2 GLU A 59 5.939 7.300 -13.330 1.00 15.14 H new ATOM 0 HG3 GLU A 59 4.682 8.518 -13.402 1.00 15.14 H new ATOM 873 N GLU A 60 8.927 9.557 -12.127 1.00 0.15 N ATOM 874 CA GLU A 60 9.805 8.900 -11.144 1.00 34.12 C ATOM 875 C GLU A 60 9.245 8.987 -9.710 1.00 2.44 C ATOM 876 O GLU A 60 8.763 10.039 -9.278 1.00 31.33 O ATOM 877 CB GLU A 60 11.214 9.534 -11.201 1.00 14.00 C ATOM 878 CG GLU A 60 12.268 8.870 -10.288 1.00 44.11 C ATOM 879 CD GLU A 60 13.573 9.672 -10.205 1.00 64.40 C ATOM 880 OE1 GLU A 60 14.227 9.874 -11.246 1.00 1.52 O ATOM 881 OE2 GLU A 60 13.938 10.135 -9.106 1.00 73.34 O ATOM 0 H GLU A 60 8.930 10.575 -12.064 1.00 0.15 H new ATOM 0 HA GLU A 60 9.861 7.843 -11.405 1.00 34.12 H new ATOM 0 HB2 GLU A 60 11.571 9.496 -12.230 1.00 14.00 H new ATOM 0 HB3 GLU A 60 11.133 10.587 -10.931 1.00 14.00 H new ATOM 0 HG2 GLU A 60 11.853 8.755 -9.286 1.00 44.11 H new ATOM 0 HG3 GLU A 60 12.485 7.869 -10.660 1.00 44.11 H new ATOM 888 N LEU A 61 9.337 7.869 -8.983 1.00 53.11 N ATOM 889 CA LEU A 61 8.980 7.787 -7.556 1.00 42.51 C ATOM 890 C LEU A 61 9.948 6.815 -6.844 1.00 73.11 C ATOM 891 O LEU A 61 9.948 5.615 -7.129 1.00 21.24 O ATOM 892 CB LEU A 61 7.499 7.341 -7.406 1.00 54.30 C ATOM 893 CG LEU A 61 6.961 7.135 -5.951 1.00 72.42 C ATOM 894 CD1 LEU A 61 7.212 8.376 -5.065 1.00 72.42 C ATOM 895 CD2 LEU A 61 5.460 6.756 -5.979 1.00 32.32 C ATOM 0 H LEU A 61 9.665 6.984 -9.369 1.00 53.11 H new ATOM 0 HA LEU A 61 9.076 8.767 -7.088 1.00 42.51 H new ATOM 0 HB2 LEU A 61 6.871 8.084 -7.897 1.00 54.30 H new ATOM 0 HB3 LEU A 61 7.371 6.405 -7.950 1.00 54.30 H new ATOM 0 HG LEU A 61 7.515 6.310 -5.503 1.00 72.42 H new ATOM 0 HD11 LEU A 61 6.824 8.192 -4.063 1.00 72.42 H new ATOM 0 HD12 LEU A 61 8.283 8.572 -5.009 1.00 72.42 H new ATOM 0 HD13 LEU A 61 6.707 9.240 -5.497 1.00 72.42 H new ATOM 0 HD21 LEU A 61 5.101 6.616 -4.959 1.00 32.32 H new ATOM 0 HD22 LEU A 61 4.892 7.554 -6.457 1.00 32.32 H new ATOM 0 HD23 LEU A 61 5.329 5.831 -6.540 1.00 32.32 H new ATOM 907 N VAL A 62 10.788 7.349 -5.934 1.00 14.34 N ATOM 908 CA VAL A 62 11.788 6.547 -5.195 1.00 63.20 C ATOM 909 C VAL A 62 11.245 6.203 -3.793 1.00 4.45 C ATOM 910 O VAL A 62 11.013 7.099 -2.969 1.00 0.53 O ATOM 911 CB VAL A 62 13.164 7.305 -5.054 1.00 23.44 C ATOM 912 CG1 VAL A 62 14.251 6.413 -4.386 1.00 40.33 C ATOM 913 CG2 VAL A 62 13.639 7.851 -6.423 1.00 12.22 C ATOM 0 H VAL A 62 10.794 8.340 -5.691 1.00 14.34 H new ATOM 0 HA VAL A 62 11.965 5.635 -5.764 1.00 63.20 H new ATOM 0 HB VAL A 62 13.003 8.156 -4.393 1.00 23.44 H new ATOM 0 HG11 VAL A 62 15.183 6.973 -4.308 1.00 40.33 H new ATOM 0 HG12 VAL A 62 13.919 6.119 -3.390 1.00 40.33 H new ATOM 0 HG13 VAL A 62 14.413 5.521 -4.992 1.00 40.33 H new ATOM 0 HG21 VAL A 62 14.590 8.369 -6.298 1.00 12.22 H new ATOM 0 HG22 VAL A 62 13.766 7.023 -7.121 1.00 12.22 H new ATOM 0 HG23 VAL A 62 12.896 8.545 -6.815 1.00 12.22 H new ATOM 923 N GLU A 63 11.030 4.905 -3.548 1.00 64.42 N ATOM 924 CA GLU A 63 10.576 4.376 -2.247 1.00 64.52 C ATOM 925 C GLU A 63 11.571 3.327 -1.728 1.00 53.45 C ATOM 926 O GLU A 63 12.166 2.605 -2.519 1.00 24.04 O ATOM 927 CB GLU A 63 9.184 3.732 -2.383 1.00 23.10 C ATOM 928 CG GLU A 63 8.059 4.692 -2.825 1.00 33.13 C ATOM 929 CD GLU A 63 6.659 4.064 -2.782 1.00 50.43 C ATOM 930 OE1 GLU A 63 6.469 3.055 -2.072 1.00 40.44 O ATOM 931 OE2 GLU A 63 5.735 4.578 -3.440 1.00 20.40 O ATOM 0 H GLU A 63 11.167 4.180 -4.253 1.00 64.42 H new ATOM 0 HA GLU A 63 10.519 5.205 -1.542 1.00 64.52 H new ATOM 0 HB2 GLU A 63 9.247 2.915 -3.102 1.00 23.10 H new ATOM 0 HB3 GLU A 63 8.909 3.292 -1.424 1.00 23.10 H new ATOM 0 HG2 GLU A 63 8.072 5.573 -2.183 1.00 33.13 H new ATOM 0 HG3 GLU A 63 8.263 5.034 -3.840 1.00 33.13 H new ATOM 938 N ARG A 64 11.713 3.222 -0.394 1.00 30.12 N ATOM 939 CA ARG A 64 12.629 2.251 0.249 1.00 20.15 C ATOM 940 C ARG A 64 11.871 1.353 1.248 1.00 11.15 C ATOM 941 O ARG A 64 11.106 1.845 2.078 1.00 3.25 O ATOM 942 CB ARG A 64 13.780 3.000 0.970 1.00 24.12 C ATOM 943 CG ARG A 64 14.773 2.073 1.719 1.00 40.42 C ATOM 944 CD ARG A 64 15.941 2.844 2.355 1.00 32.55 C ATOM 945 NE ARG A 64 16.751 3.538 1.342 1.00 54.42 N ATOM 946 CZ ARG A 64 17.771 4.328 1.577 1.00 35.34 C ATOM 947 NH1 ARG A 64 18.127 4.630 2.787 1.00 71.44 N ATOM 948 NH2 ARG A 64 18.419 4.832 0.583 1.00 20.13 N ATOM 0 H ARG A 64 11.200 3.803 0.269 1.00 30.12 H new ATOM 0 HA ARG A 64 13.050 1.614 -0.529 1.00 20.15 H new ATOM 0 HB2 ARG A 64 14.332 3.587 0.236 1.00 24.12 H new ATOM 0 HB3 ARG A 64 13.350 3.704 1.683 1.00 24.12 H new ATOM 0 HG2 ARG A 64 14.238 1.527 2.496 1.00 40.42 H new ATOM 0 HG3 ARG A 64 15.168 1.333 1.023 1.00 40.42 H new ATOM 0 HD2 ARG A 64 15.552 3.570 3.069 1.00 32.55 H new ATOM 0 HD3 ARG A 64 16.572 2.153 2.914 1.00 32.55 H new ATOM 0 HE ARG A 64 16.495 3.391 0.366 1.00 54.42 H new ATOM 0 HH11 ARG A 64 17.610 4.251 3.580 1.00 71.44 H new ATOM 0 HH12 ARG A 64 18.924 5.247 2.945 1.00 71.44 H new ATOM 0 HH21 ARG A 64 18.136 4.615 -0.373 1.00 20.13 H new ATOM 0 HH22 ARG A 64 19.214 5.448 0.752 1.00 20.13 H new ATOM 962 N LEU A 65 12.106 0.034 1.157 1.00 4.10 N ATOM 963 CA LEU A 65 11.527 -0.957 2.079 1.00 15.14 C ATOM 964 C LEU A 65 12.235 -0.897 3.456 1.00 65.32 C ATOM 965 O LEU A 65 13.433 -1.183 3.556 1.00 50.15 O ATOM 966 CB LEU A 65 11.635 -2.377 1.450 1.00 61.41 C ATOM 967 CG LEU A 65 11.059 -3.563 2.291 1.00 32.30 C ATOM 968 CD1 LEU A 65 9.620 -3.276 2.740 1.00 52.13 C ATOM 969 CD2 LEU A 65 11.138 -4.895 1.506 1.00 23.44 C ATOM 0 H LEU A 65 12.704 -0.376 0.440 1.00 4.10 H new ATOM 0 HA LEU A 65 10.474 -0.728 2.241 1.00 15.14 H new ATOM 0 HB2 LEU A 65 11.124 -2.363 0.487 1.00 61.41 H new ATOM 0 HB3 LEU A 65 12.687 -2.581 1.249 1.00 61.41 H new ATOM 0 HG LEU A 65 11.675 -3.664 3.185 1.00 32.30 H new ATOM 0 HD11 LEU A 65 9.246 -4.118 3.323 1.00 52.13 H new ATOM 0 HD12 LEU A 65 9.603 -2.375 3.353 1.00 52.13 H new ATOM 0 HD13 LEU A 65 8.988 -3.131 1.864 1.00 52.13 H new ATOM 0 HD21 LEU A 65 10.730 -5.701 2.116 1.00 23.44 H new ATOM 0 HD22 LEU A 65 10.561 -4.809 0.585 1.00 23.44 H new ATOM 0 HD23 LEU A 65 12.178 -5.113 1.264 1.00 23.44 H new ATOM 981 N VAL A 66 11.484 -0.504 4.503 1.00 11.31 N ATOM 982 CA VAL A 66 12.020 -0.394 5.877 1.00 32.22 C ATOM 983 C VAL A 66 12.099 -1.782 6.551 1.00 25.24 C ATOM 984 O VAL A 66 13.152 -2.172 7.069 1.00 0.12 O ATOM 985 CB VAL A 66 11.145 0.570 6.766 1.00 40.44 C ATOM 986 CG1 VAL A 66 11.713 0.685 8.207 1.00 22.25 C ATOM 987 CG2 VAL A 66 11.015 1.964 6.107 1.00 13.23 C ATOM 0 H VAL A 66 10.498 -0.256 4.424 1.00 11.31 H new ATOM 0 HA VAL A 66 13.023 0.024 5.795 1.00 32.22 H new ATOM 0 HB VAL A 66 10.148 0.137 6.840 1.00 40.44 H new ATOM 0 HG11 VAL A 66 11.086 1.357 8.793 1.00 22.25 H new ATOM 0 HG12 VAL A 66 11.724 -0.300 8.674 1.00 22.25 H new ATOM 0 HG13 VAL A 66 12.729 1.079 8.167 1.00 22.25 H new ATOM 0 HG21 VAL A 66 10.407 2.610 6.740 1.00 13.23 H new ATOM 0 HG22 VAL A 66 12.005 2.403 5.986 1.00 13.23 H new ATOM 0 HG23 VAL A 66 10.541 1.862 5.131 1.00 13.23 H new ATOM 997 N GLU A 67 10.973 -2.522 6.527 1.00 24.02 N ATOM 998 CA GLU A 67 10.867 -3.867 7.139 1.00 75.42 C ATOM 999 C GLU A 67 9.773 -4.691 6.425 1.00 5.33 C ATOM 1000 O GLU A 67 8.840 -4.131 5.837 1.00 15.32 O ATOM 1001 CB GLU A 67 10.561 -3.763 8.668 1.00 3.21 C ATOM 1002 CG GLU A 67 9.099 -3.416 9.021 1.00 3.14 C ATOM 1003 CD GLU A 67 8.874 -3.143 10.517 1.00 45.21 C ATOM 1004 OE1 GLU A 67 8.649 -4.111 11.281 1.00 21.44 O ATOM 1005 OE2 GLU A 67 8.910 -1.965 10.933 1.00 61.33 O ATOM 0 H GLU A 67 10.110 -2.207 6.084 1.00 24.02 H new ATOM 0 HA GLU A 67 11.825 -4.374 7.021 1.00 75.42 H new ATOM 0 HB2 GLU A 67 10.817 -4.712 9.139 1.00 3.21 H new ATOM 0 HB3 GLU A 67 11.213 -3.005 9.103 1.00 3.21 H new ATOM 0 HG2 GLU A 67 8.795 -2.538 8.451 1.00 3.14 H new ATOM 0 HG3 GLU A 67 8.454 -4.238 8.709 1.00 3.14 H new ATOM 1012 N ARG A 68 9.887 -6.019 6.492 1.00 60.00 N ATOM 1013 CA ARG A 68 8.864 -6.935 5.956 1.00 22.11 C ATOM 1014 C ARG A 68 8.759 -8.174 6.868 1.00 53.23 C ATOM 1015 O ARG A 68 9.764 -8.618 7.437 1.00 30.23 O ATOM 1016 CB ARG A 68 9.205 -7.357 4.499 1.00 11.14 C ATOM 1017 CG ARG A 68 8.020 -8.004 3.735 1.00 52.34 C ATOM 1018 CD ARG A 68 8.445 -8.665 2.416 1.00 41.43 C ATOM 1019 NE ARG A 68 9.308 -9.844 2.650 1.00 65.52 N ATOM 1020 CZ ARG A 68 8.927 -11.106 2.592 1.00 33.44 C ATOM 1021 NH1 ARG A 68 7.713 -11.438 2.279 1.00 13.11 N ATOM 1022 NH2 ARG A 68 9.780 -12.040 2.834 1.00 71.14 N ATOM 0 H ARG A 68 10.684 -6.493 6.916 1.00 60.00 H new ATOM 0 HA ARG A 68 7.904 -6.420 5.936 1.00 22.11 H new ATOM 0 HB2 ARG A 68 9.544 -6.480 3.948 1.00 11.14 H new ATOM 0 HB3 ARG A 68 10.037 -8.061 4.521 1.00 11.14 H new ATOM 0 HG2 ARG A 68 7.548 -8.751 4.373 1.00 52.34 H new ATOM 0 HG3 ARG A 68 7.269 -7.242 3.527 1.00 52.34 H new ATOM 0 HD2 ARG A 68 7.559 -8.967 1.858 1.00 41.43 H new ATOM 0 HD3 ARG A 68 8.978 -7.940 1.800 1.00 41.43 H new ATOM 0 HE ARG A 68 10.286 -9.665 2.877 1.00 65.52 H new ATOM 0 HH11 ARG A 68 7.024 -10.715 2.070 1.00 13.11 H new ATOM 0 HH12 ARG A 68 7.447 -12.422 2.242 1.00 13.11 H new ATOM 0 HH21 ARG A 68 10.744 -11.802 3.069 1.00 71.14 H new ATOM 0 HH22 ARG A 68 9.492 -13.018 2.791 1.00 71.14 H new ATOM 1036 N ASP A 69 7.546 -8.720 7.003 1.00 15.21 N ATOM 1037 CA ASP A 69 7.277 -9.906 7.841 1.00 22.12 C ATOM 1038 C ASP A 69 6.154 -10.755 7.200 1.00 60.21 C ATOM 1039 O ASP A 69 5.116 -10.218 6.801 1.00 73.25 O ATOM 1040 CB ASP A 69 6.877 -9.456 9.276 1.00 3.44 C ATOM 1041 CG ASP A 69 6.977 -10.590 10.316 1.00 44.44 C ATOM 1042 OD1 ASP A 69 6.267 -11.609 10.187 1.00 53.52 O ATOM 1043 OD2 ASP A 69 7.782 -10.476 11.260 1.00 21.41 O ATOM 0 H ASP A 69 6.717 -8.355 6.535 1.00 15.21 H new ATOM 0 HA ASP A 69 8.177 -10.517 7.908 1.00 22.12 H new ATOM 0 HB2 ASP A 69 7.520 -8.631 9.584 1.00 3.44 H new ATOM 0 HB3 ASP A 69 5.856 -9.075 9.259 1.00 3.44 H new ATOM 1048 N GLU A 70 6.359 -12.079 7.145 1.00 22.52 N ATOM 1049 CA GLU A 70 5.461 -13.009 6.427 1.00 1.13 C ATOM 1050 C GLU A 70 4.329 -13.552 7.334 1.00 14.30 C ATOM 1051 O GLU A 70 3.147 -13.477 6.971 1.00 60.14 O ATOM 1052 CB GLU A 70 6.299 -14.159 5.803 1.00 41.41 C ATOM 1053 CG GLU A 70 7.442 -13.652 4.892 1.00 51.22 C ATOM 1054 CD GLU A 70 8.225 -14.761 4.161 1.00 3.24 C ATOM 1055 OE1 GLU A 70 8.769 -15.662 4.831 1.00 61.51 O ATOM 1056 OE2 GLU A 70 8.326 -14.718 2.911 1.00 21.54 O ATOM 0 H GLU A 70 7.150 -12.540 7.595 1.00 22.52 H new ATOM 0 HA GLU A 70 4.965 -12.458 5.628 1.00 1.13 H new ATOM 0 HB2 GLU A 70 6.722 -14.767 6.602 1.00 41.41 H new ATOM 0 HB3 GLU A 70 5.641 -14.807 5.224 1.00 41.41 H new ATOM 0 HG2 GLU A 70 7.022 -12.973 4.150 1.00 51.22 H new ATOM 0 HG3 GLU A 70 8.139 -13.072 5.496 1.00 51.22 H new ATOM 1063 N SER A 71 4.699 -14.075 8.520 1.00 75.15 N ATOM 1064 CA SER A 71 3.742 -14.701 9.468 1.00 24.40 C ATOM 1065 C SER A 71 2.817 -13.655 10.131 1.00 32.23 C ATOM 1066 O SER A 71 1.648 -13.939 10.407 1.00 62.42 O ATOM 1067 CB SER A 71 4.498 -15.498 10.556 1.00 70.21 C ATOM 1068 OG SER A 71 5.288 -14.657 11.380 1.00 44.30 O ATOM 0 H SER A 71 5.664 -14.078 8.851 1.00 75.15 H new ATOM 0 HA SER A 71 3.117 -15.382 8.890 1.00 24.40 H new ATOM 0 HB2 SER A 71 3.781 -16.039 11.173 1.00 70.21 H new ATOM 0 HB3 SER A 71 5.136 -16.243 10.081 1.00 70.21 H new ATOM 0 HG SER A 71 5.748 -15.199 12.055 1.00 44.30 H new ATOM 1074 N ALA A 72 3.352 -12.451 10.387 1.00 53.25 N ATOM 1075 CA ALA A 72 2.586 -11.328 10.988 1.00 25.31 C ATOM 1076 C ALA A 72 1.854 -10.486 9.919 1.00 41.42 C ATOM 1077 O ALA A 72 1.050 -9.627 10.277 1.00 31.20 O ATOM 1078 CB ALA A 72 3.520 -10.436 11.827 1.00 22.20 C ATOM 0 H ALA A 72 4.325 -12.220 10.187 1.00 53.25 H new ATOM 0 HA ALA A 72 1.824 -11.761 11.636 1.00 25.31 H new ATOM 0 HB1 ALA A 72 2.947 -9.617 12.262 1.00 22.20 H new ATOM 0 HB2 ALA A 72 3.969 -11.028 12.624 1.00 22.20 H new ATOM 0 HB3 ALA A 72 4.306 -10.031 11.189 1.00 22.20 H new ATOM 1084 N ARG A 73 2.158 -10.736 8.616 1.00 63.03 N ATOM 1085 CA ARG A 73 1.493 -10.064 7.464 1.00 50.45 C ATOM 1086 C ARG A 73 1.717 -8.524 7.472 1.00 13.41 C ATOM 1087 O ARG A 73 0.811 -7.740 7.169 1.00 52.13 O ATOM 1088 CB ARG A 73 -0.023 -10.425 7.437 1.00 73.33 C ATOM 1089 CG ARG A 73 -0.323 -11.935 7.246 1.00 21.13 C ATOM 1090 CD ARG A 73 -1.720 -12.339 7.779 1.00 15.30 C ATOM 1091 NE ARG A 73 -1.744 -12.500 9.258 1.00 14.23 N ATOM 1092 CZ ARG A 73 -2.083 -11.582 10.156 1.00 64.32 C ATOM 1093 NH1 ARG A 73 -2.317 -10.351 9.839 1.00 31.14 N ATOM 1094 NH2 ARG A 73 -2.167 -11.918 11.399 1.00 62.32 N ATOM 0 H ARG A 73 2.871 -11.409 8.335 1.00 63.03 H new ATOM 0 HA ARG A 73 1.954 -10.434 6.548 1.00 50.45 H new ATOM 0 HB2 ARG A 73 -0.479 -10.092 8.369 1.00 73.33 H new ATOM 0 HB3 ARG A 73 -0.502 -9.868 6.632 1.00 73.33 H new ATOM 0 HG2 ARG A 73 -0.257 -12.183 6.187 1.00 21.13 H new ATOM 0 HG3 ARG A 73 0.440 -12.521 7.759 1.00 21.13 H new ATOM 0 HD2 ARG A 73 -2.449 -11.582 7.488 1.00 15.30 H new ATOM 0 HD3 ARG A 73 -2.027 -13.274 7.310 1.00 15.30 H new ATOM 0 HE ARG A 73 -1.471 -13.413 9.621 1.00 14.23 H new ATOM 0 HH11 ARG A 73 -2.244 -10.052 8.867 1.00 31.14 H new ATOM 0 HH12 ARG A 73 -2.575 -9.679 10.561 1.00 31.14 H new ATOM 0 HH21 ARG A 73 -1.974 -12.879 11.682 1.00 62.32 H new ATOM 0 HH22 ARG A 73 -2.426 -11.223 12.099 1.00 62.32 H new ATOM 1108 N ARG A 74 2.967 -8.119 7.758 1.00 12.54 N ATOM 1109 CA ARG A 74 3.366 -6.696 7.868 1.00 10.21 C ATOM 1110 C ARG A 74 4.374 -6.286 6.753 1.00 53.52 C ATOM 1111 O ARG A 74 5.487 -6.799 6.701 1.00 50.13 O ATOM 1112 CB ARG A 74 4.002 -6.463 9.266 1.00 50.12 C ATOM 1113 CG ARG A 74 4.531 -5.028 9.493 1.00 23.14 C ATOM 1114 CD ARG A 74 5.401 -4.881 10.756 1.00 64.14 C ATOM 1115 NE ARG A 74 4.623 -4.963 11.997 1.00 43.23 N ATOM 1116 CZ ARG A 74 5.063 -4.632 13.192 1.00 43.51 C ATOM 1117 NH1 ARG A 74 6.293 -4.242 13.380 1.00 4.52 N ATOM 1118 NH2 ARG A 74 4.263 -4.708 14.201 1.00 23.14 N ATOM 0 H ARG A 74 3.736 -8.769 7.921 1.00 12.54 H new ATOM 0 HA ARG A 74 2.477 -6.078 7.744 1.00 10.21 H new ATOM 0 HB2 ARG A 74 3.260 -6.690 10.032 1.00 50.12 H new ATOM 0 HB3 ARG A 74 4.824 -7.166 9.400 1.00 50.12 H new ATOM 0 HG2 ARG A 74 5.114 -4.723 8.624 1.00 23.14 H new ATOM 0 HG3 ARG A 74 3.684 -4.345 9.564 1.00 23.14 H new ATOM 0 HD2 ARG A 74 6.163 -5.660 10.759 1.00 64.14 H new ATOM 0 HD3 ARG A 74 5.923 -3.925 10.723 1.00 64.14 H new ATOM 0 HE ARG A 74 3.664 -5.304 11.928 1.00 43.23 H new ATOM 0 HH11 ARG A 74 6.937 -4.188 12.591 1.00 4.52 H new ATOM 0 HH12 ARG A 74 6.611 -3.991 14.316 1.00 4.52 H new ATOM 0 HH21 ARG A 74 3.302 -5.022 14.067 1.00 23.14 H new ATOM 0 HH22 ARG A 74 4.592 -4.454 15.133 1.00 23.14 H new ATOM 1132 N LEU A 75 3.966 -5.364 5.862 1.00 74.44 N ATOM 1133 CA LEU A 75 4.865 -4.723 4.865 1.00 2.31 C ATOM 1134 C LEU A 75 4.994 -3.226 5.204 1.00 14.15 C ATOM 1135 O LEU A 75 4.047 -2.483 5.020 1.00 70.34 O ATOM 1136 CB LEU A 75 4.285 -4.893 3.418 1.00 2.21 C ATOM 1137 CG LEU A 75 5.026 -4.134 2.267 1.00 34.43 C ATOM 1138 CD1 LEU A 75 6.480 -4.599 2.135 1.00 41.53 C ATOM 1139 CD2 LEU A 75 4.279 -4.272 0.921 1.00 20.22 C ATOM 0 H LEU A 75 3.002 -5.036 5.807 1.00 74.44 H new ATOM 0 HA LEU A 75 5.845 -5.199 4.901 1.00 2.31 H new ATOM 0 HB2 LEU A 75 4.281 -5.956 3.176 1.00 2.21 H new ATOM 0 HB3 LEU A 75 3.246 -4.564 3.428 1.00 2.21 H new ATOM 0 HG LEU A 75 5.035 -3.077 2.534 1.00 34.43 H new ATOM 0 HD11 LEU A 75 6.965 -4.052 1.327 1.00 41.53 H new ATOM 0 HD12 LEU A 75 7.009 -4.410 3.069 1.00 41.53 H new ATOM 0 HD13 LEU A 75 6.502 -5.666 1.915 1.00 41.53 H new ATOM 0 HD21 LEU A 75 4.823 -3.732 0.146 1.00 20.22 H new ATOM 0 HD22 LEU A 75 4.210 -5.325 0.649 1.00 20.22 H new ATOM 0 HD23 LEU A 75 3.276 -3.856 1.017 1.00 20.22 H new ATOM 1151 N VAL A 76 6.155 -2.778 5.704 1.00 43.55 N ATOM 1152 CA VAL A 76 6.364 -1.345 6.041 1.00 22.11 C ATOM 1153 C VAL A 76 7.487 -0.740 5.183 1.00 70.31 C ATOM 1154 O VAL A 76 8.590 -1.279 5.111 1.00 30.51 O ATOM 1155 CB VAL A 76 6.701 -1.111 7.556 1.00 5.14 C ATOM 1156 CG1 VAL A 76 6.750 0.398 7.887 1.00 23.34 C ATOM 1157 CG2 VAL A 76 5.704 -1.832 8.478 1.00 5.35 C ATOM 0 H VAL A 76 6.962 -3.374 5.886 1.00 43.55 H new ATOM 0 HA VAL A 76 5.417 -0.849 5.829 1.00 22.11 H new ATOM 0 HB VAL A 76 7.688 -1.536 7.736 1.00 5.14 H new ATOM 0 HG11 VAL A 76 6.985 0.531 8.943 1.00 23.34 H new ATOM 0 HG12 VAL A 76 7.518 0.879 7.281 1.00 23.34 H new ATOM 0 HG13 VAL A 76 5.782 0.849 7.671 1.00 23.34 H new ATOM 0 HG21 VAL A 76 5.971 -1.646 9.518 1.00 5.35 H new ATOM 0 HG22 VAL A 76 4.698 -1.458 8.289 1.00 5.35 H new ATOM 0 HG23 VAL A 76 5.736 -2.904 8.281 1.00 5.35 H new ATOM 1167 N TYR A 77 7.197 0.412 4.577 1.00 72.03 N ATOM 1168 CA TYR A 77 8.140 1.142 3.723 1.00 51.12 C ATOM 1169 C TYR A 77 7.999 2.671 3.911 1.00 14.45 C ATOM 1170 O TYR A 77 7.169 3.150 4.697 1.00 21.34 O ATOM 1171 CB TYR A 77 7.954 0.718 2.244 1.00 35.24 C ATOM 1172 CG TYR A 77 6.537 0.905 1.662 1.00 53.11 C ATOM 1173 CD1 TYR A 77 6.156 2.101 1.048 1.00 11.23 C ATOM 1174 CD2 TYR A 77 5.588 -0.128 1.704 1.00 41.40 C ATOM 1175 CE1 TYR A 77 4.898 2.258 0.500 1.00 73.11 C ATOM 1176 CE2 TYR A 77 4.326 0.031 1.158 1.00 24.23 C ATOM 1177 CZ TYR A 77 3.988 1.227 0.555 1.00 1.52 C ATOM 1178 OH TYR A 77 2.736 1.390 0.002 1.00 42.45 O ATOM 0 H TYR A 77 6.291 0.871 4.665 1.00 72.03 H new ATOM 0 HA TYR A 77 9.156 0.884 4.021 1.00 51.12 H new ATOM 0 HB2 TYR A 77 8.655 1.286 1.632 1.00 35.24 H new ATOM 0 HB3 TYR A 77 8.229 -0.333 2.150 1.00 35.24 H new ATOM 0 HD1 TYR A 77 6.859 2.919 1.001 1.00 11.23 H new ATOM 0 HD2 TYR A 77 5.848 -1.066 2.172 1.00 41.40 H new ATOM 0 HE1 TYR A 77 4.628 3.191 0.028 1.00 73.11 H new ATOM 0 HE2 TYR A 77 3.609 -0.776 1.203 1.00 24.23 H new ATOM 0 HH TYR A 77 2.106 0.774 0.431 1.00 42.45 H new ATOM 1188 N THR A 78 8.836 3.418 3.187 1.00 22.11 N ATOM 1189 CA THR A 78 8.896 4.896 3.241 1.00 3.02 C ATOM 1190 C THR A 78 8.994 5.467 1.818 1.00 40.04 C ATOM 1191 O THR A 78 9.381 4.756 0.885 1.00 23.52 O ATOM 1192 CB THR A 78 10.128 5.381 4.100 1.00 13.31 C ATOM 1193 OG1 THR A 78 10.229 6.820 4.097 1.00 53.21 O ATOM 1194 CG2 THR A 78 11.460 4.783 3.601 1.00 53.04 C ATOM 0 H THR A 78 9.506 3.014 2.533 1.00 22.11 H new ATOM 0 HA THR A 78 7.984 5.258 3.716 1.00 3.02 H new ATOM 0 HB THR A 78 9.950 5.028 5.116 1.00 13.31 H new ATOM 0 HG1 THR A 78 9.397 7.207 4.442 1.00 53.21 H new ATOM 0 HG21 THR A 78 12.278 5.146 4.224 1.00 53.04 H new ATOM 0 HG22 THR A 78 11.415 3.695 3.659 1.00 53.04 H new ATOM 0 HG23 THR A 78 11.630 5.084 2.567 1.00 53.04 H new ATOM 1202 N MET A 79 8.632 6.750 1.660 1.00 44.41 N ATOM 1203 CA MET A 79 8.829 7.507 0.402 1.00 53.35 C ATOM 1204 C MET A 79 9.893 8.621 0.640 1.00 32.42 C ATOM 1205 O MET A 79 9.539 9.761 0.967 1.00 70.32 O ATOM 1206 CB MET A 79 7.469 8.100 -0.074 1.00 3.24 C ATOM 1207 CG MET A 79 6.385 7.046 -0.376 1.00 23.13 C ATOM 1208 SD MET A 79 4.752 7.768 -0.681 1.00 64.55 S ATOM 1209 CE MET A 79 5.072 8.860 -2.061 1.00 1.55 C ATOM 0 H MET A 79 8.193 7.298 2.400 1.00 44.41 H new ATOM 0 HA MET A 79 9.194 6.847 -0.385 1.00 53.35 H new ATOM 0 HB2 MET A 79 7.095 8.779 0.692 1.00 3.24 H new ATOM 0 HB3 MET A 79 7.640 8.695 -0.971 1.00 3.24 H new ATOM 0 HG2 MET A 79 6.686 6.464 -1.247 1.00 23.13 H new ATOM 0 HG3 MET A 79 6.318 6.353 0.463 1.00 23.13 H new ATOM 0 HE1 MET A 79 4.591 9.822 -1.883 1.00 1.55 H new ATOM 0 HE2 MET A 79 6.147 9.006 -2.168 1.00 1.55 H new ATOM 0 HE3 MET A 79 4.673 8.418 -2.974 1.00 1.55 H new ATOM 1219 N PRO A 80 11.235 8.287 0.538 1.00 53.11 N ATOM 1220 CA PRO A 80 12.341 9.261 0.774 1.00 63.44 C ATOM 1221 C PRO A 80 12.489 10.315 -0.355 1.00 42.34 C ATOM 1222 O PRO A 80 13.141 11.349 -0.167 1.00 14.31 O ATOM 1223 CB PRO A 80 13.590 8.345 0.877 1.00 24.24 C ATOM 1224 CG PRO A 80 13.255 7.174 0.000 1.00 11.35 C ATOM 1225 CD PRO A 80 11.777 6.935 0.216 1.00 1.43 C ATOM 0 HA PRO A 80 12.169 9.871 1.661 1.00 63.44 H new ATOM 0 HB2 PRO A 80 14.489 8.856 0.534 1.00 24.24 H new ATOM 0 HB3 PRO A 80 13.773 8.034 1.905 1.00 24.24 H new ATOM 0 HG2 PRO A 80 13.471 7.390 -1.046 1.00 11.35 H new ATOM 0 HG3 PRO A 80 13.841 6.296 0.272 1.00 11.35 H new ATOM 0 HD2 PRO A 80 11.306 6.518 -0.674 1.00 1.43 H new ATOM 0 HD3 PRO A 80 11.601 6.231 1.029 1.00 1.43 H new ATOM 1233 N ASP A 81 11.884 10.044 -1.525 1.00 34.24 N ATOM 1234 CA ASP A 81 11.802 11.017 -2.634 1.00 52.24 C ATOM 1235 C ASP A 81 10.346 11.026 -3.184 1.00 32.11 C ATOM 1236 O ASP A 81 10.029 10.307 -4.143 1.00 14.05 O ATOM 1237 CB ASP A 81 12.847 10.666 -3.730 1.00 62.34 C ATOM 1238 CG ASP A 81 13.100 11.796 -4.752 1.00 53.31 C ATOM 1239 OD1 ASP A 81 12.198 12.098 -5.567 1.00 51.20 O ATOM 1240 OD2 ASP A 81 14.203 12.386 -4.745 1.00 11.52 O ATOM 0 H ASP A 81 11.439 9.149 -1.730 1.00 34.24 H new ATOM 0 HA ASP A 81 12.039 12.021 -2.282 1.00 52.24 H new ATOM 0 HB2 ASP A 81 13.790 10.411 -3.247 1.00 62.34 H new ATOM 0 HB3 ASP A 81 12.511 9.777 -4.264 1.00 62.34 H new ATOM 1245 N PRO A 82 9.413 11.783 -2.512 1.00 21.15 N ATOM 1246 CA PRO A 82 8.010 11.930 -2.965 1.00 52.13 C ATOM 1247 C PRO A 82 7.788 13.160 -3.904 1.00 11.35 C ATOM 1248 O PRO A 82 8.485 14.176 -3.779 1.00 71.41 O ATOM 1249 CB PRO A 82 7.272 12.096 -1.616 1.00 42.44 C ATOM 1250 CG PRO A 82 8.233 12.878 -0.751 1.00 20.51 C ATOM 1251 CD PRO A 82 9.639 12.516 -1.228 1.00 13.12 C ATOM 0 HA PRO A 82 7.665 11.093 -3.573 1.00 52.13 H new ATOM 0 HB2 PRO A 82 6.329 12.628 -1.743 1.00 42.44 H new ATOM 0 HB3 PRO A 82 7.035 11.129 -1.172 1.00 42.44 H new ATOM 0 HG2 PRO A 82 8.055 13.949 -0.845 1.00 20.51 H new ATOM 0 HG3 PRO A 82 8.103 12.624 0.301 1.00 20.51 H new ATOM 0 HD2 PRO A 82 10.250 13.406 -1.380 1.00 13.12 H new ATOM 0 HD3 PRO A 82 10.159 11.893 -0.500 1.00 13.12 H new ATOM 1259 N PRO A 83 6.800 13.096 -4.859 1.00 51.10 N ATOM 1260 CA PRO A 83 6.465 14.244 -5.752 1.00 75.41 C ATOM 1261 C PRO A 83 5.539 15.299 -5.072 1.00 20.14 C ATOM 1262 O PRO A 83 5.182 16.308 -5.682 1.00 43.10 O ATOM 1263 CB PRO A 83 5.761 13.539 -6.936 1.00 12.23 C ATOM 1264 CG PRO A 83 5.049 12.379 -6.299 1.00 73.52 C ATOM 1265 CD PRO A 83 5.952 11.905 -5.170 1.00 11.04 C ATOM 0 HA PRO A 83 7.341 14.827 -6.038 1.00 75.41 H new ATOM 0 HB2 PRO A 83 5.063 14.207 -7.440 1.00 12.23 H new ATOM 0 HB3 PRO A 83 6.479 13.204 -7.685 1.00 12.23 H new ATOM 0 HG2 PRO A 83 4.073 12.681 -5.918 1.00 73.52 H new ATOM 0 HG3 PRO A 83 4.876 11.582 -7.022 1.00 73.52 H new ATOM 0 HD2 PRO A 83 5.373 11.590 -4.302 1.00 11.04 H new ATOM 0 HD3 PRO A 83 6.558 11.052 -5.475 1.00 11.04 H new ATOM 1273 N PHE A 84 5.156 15.043 -3.805 1.00 15.05 N ATOM 1274 CA PHE A 84 4.234 15.906 -3.027 1.00 1.13 C ATOM 1275 C PHE A 84 5.017 16.725 -1.960 1.00 33.30 C ATOM 1276 O PHE A 84 6.100 16.293 -1.538 1.00 31.02 O ATOM 1277 CB PHE A 84 3.149 15.016 -2.355 1.00 34.13 C ATOM 1278 CG PHE A 84 2.406 14.107 -3.337 1.00 50.41 C ATOM 1279 CD1 PHE A 84 1.541 14.644 -4.292 1.00 71.23 C ATOM 1280 CD2 PHE A 84 2.583 12.719 -3.318 1.00 11.03 C ATOM 1281 CE1 PHE A 84 0.879 13.826 -5.192 1.00 45.03 C ATOM 1282 CE2 PHE A 84 1.917 11.905 -4.219 1.00 22.41 C ATOM 1283 CZ PHE A 84 1.067 12.459 -5.154 1.00 22.51 C ATOM 0 H PHE A 84 5.478 14.226 -3.286 1.00 15.05 H new ATOM 0 HA PHE A 84 3.750 16.616 -3.698 1.00 1.13 H new ATOM 0 HB2 PHE A 84 3.620 14.400 -1.589 1.00 34.13 H new ATOM 0 HB3 PHE A 84 2.427 15.657 -1.850 1.00 34.13 H new ATOM 0 HD1 PHE A 84 1.386 15.712 -4.329 1.00 71.23 H new ATOM 0 HD2 PHE A 84 3.248 12.277 -2.591 1.00 11.03 H new ATOM 0 HE1 PHE A 84 0.214 14.258 -5.925 1.00 45.03 H new ATOM 0 HE2 PHE A 84 2.063 10.835 -4.190 1.00 22.41 H new ATOM 0 HZ PHE A 84 0.549 11.823 -5.856 1.00 22.51 H new ATOM 1293 N PRO A 85 4.489 17.924 -1.511 1.00 4.21 N ATOM 1294 CA PRO A 85 5.140 18.749 -0.444 1.00 72.55 C ATOM 1295 C PRO A 85 4.989 18.134 0.982 1.00 73.53 C ATOM 1296 O PRO A 85 4.247 18.642 1.836 1.00 20.23 O ATOM 1297 CB PRO A 85 4.417 20.118 -0.576 1.00 63.12 C ATOM 1298 CG PRO A 85 3.050 19.768 -1.090 1.00 51.11 C ATOM 1299 CD PRO A 85 3.253 18.591 -2.030 1.00 33.35 C ATOM 0 HA PRO A 85 6.220 18.818 -0.570 1.00 72.55 H new ATOM 0 HB2 PRO A 85 4.361 20.633 0.383 1.00 63.12 H new ATOM 0 HB3 PRO A 85 4.943 20.781 -1.263 1.00 63.12 H new ATOM 0 HG2 PRO A 85 2.380 19.505 -0.272 1.00 51.11 H new ATOM 0 HG3 PRO A 85 2.600 20.613 -1.612 1.00 51.11 H new ATOM 0 HD2 PRO A 85 2.398 17.915 -2.014 1.00 33.35 H new ATOM 0 HD3 PRO A 85 3.380 18.921 -3.061 1.00 33.35 H new ATOM 1307 N ILE A 86 5.704 17.014 1.213 1.00 41.33 N ATOM 1308 CA ILE A 86 5.661 16.233 2.472 1.00 41.12 C ATOM 1309 C ILE A 86 7.103 15.809 2.870 1.00 23.22 C ATOM 1310 O ILE A 86 7.874 15.349 2.017 1.00 71.22 O ATOM 1311 CB ILE A 86 4.718 14.962 2.323 1.00 13.14 C ATOM 1312 CG1 ILE A 86 5.193 14.019 1.166 1.00 33.31 C ATOM 1313 CG2 ILE A 86 3.241 15.389 2.105 1.00 25.43 C ATOM 1314 CD1 ILE A 86 4.336 12.784 0.931 1.00 1.44 C ATOM 0 H ILE A 86 6.339 16.618 0.520 1.00 41.33 H new ATOM 0 HA ILE A 86 5.244 16.859 3.261 1.00 41.12 H new ATOM 0 HB ILE A 86 4.783 14.401 3.255 1.00 13.14 H new ATOM 0 HG12 ILE A 86 5.228 14.596 0.242 1.00 33.31 H new ATOM 0 HG13 ILE A 86 6.212 13.697 1.379 1.00 33.31 H new ATOM 0 HG21 ILE A 86 2.616 14.501 2.006 1.00 25.43 H new ATOM 0 HG22 ILE A 86 2.903 15.977 2.958 1.00 25.43 H new ATOM 0 HG23 ILE A 86 3.166 15.989 1.198 1.00 25.43 H new ATOM 0 HD11 ILE A 86 4.754 12.202 0.109 1.00 1.44 H new ATOM 0 HD12 ILE A 86 4.319 12.175 1.835 1.00 1.44 H new ATOM 0 HD13 ILE A 86 3.320 13.089 0.680 1.00 1.44 H new ATOM 1326 N THR A 87 7.481 15.983 4.156 1.00 22.25 N ATOM 1327 CA THR A 87 8.874 15.719 4.609 1.00 21.24 C ATOM 1328 C THR A 87 9.153 14.200 4.768 1.00 23.33 C ATOM 1329 O THR A 87 9.764 13.583 3.886 1.00 34.12 O ATOM 1330 CB THR A 87 9.213 16.473 5.944 1.00 23.44 C ATOM 1331 OG1 THR A 87 8.856 17.863 5.833 1.00 43.30 O ATOM 1332 CG2 THR A 87 10.706 16.356 6.325 1.00 51.02 C ATOM 0 H THR A 87 6.853 16.301 4.894 1.00 22.25 H new ATOM 0 HA THR A 87 9.526 16.106 3.826 1.00 21.24 H new ATOM 0 HB THR A 87 8.631 15.998 6.733 1.00 23.44 H new ATOM 0 HG1 THR A 87 8.301 18.120 6.599 1.00 43.30 H new ATOM 0 HG21 THR A 87 10.887 16.894 7.255 1.00 51.02 H new ATOM 0 HG22 THR A 87 10.967 15.306 6.457 1.00 51.02 H new ATOM 0 HG23 THR A 87 11.319 16.785 5.532 1.00 51.02 H new ATOM 1340 N ASN A 88 8.699 13.598 5.886 1.00 64.21 N ATOM 1341 CA ASN A 88 8.935 12.165 6.182 1.00 53.45 C ATOM 1342 C ASN A 88 7.625 11.346 6.048 1.00 75.13 C ATOM 1343 O ASN A 88 6.728 11.438 6.887 1.00 34.11 O ATOM 1344 CB ASN A 88 9.606 11.998 7.580 1.00 2.11 C ATOM 1345 CG ASN A 88 8.917 12.761 8.715 1.00 3.24 C ATOM 1346 OD1 ASN A 88 9.255 13.904 9.000 1.00 60.33 O ATOM 1347 ND2 ASN A 88 7.946 12.145 9.365 1.00 31.40 N ATOM 0 H ASN A 88 8.163 14.084 6.605 1.00 64.21 H new ATOM 0 HA ASN A 88 9.629 11.764 5.444 1.00 53.45 H new ATOM 0 HB2 ASN A 88 9.627 10.938 7.833 1.00 2.11 H new ATOM 0 HB3 ASN A 88 10.642 12.331 7.513 1.00 2.11 H new ATOM 0 HD21 ASN A 88 7.458 12.621 10.124 1.00 31.40 H new ATOM 0 HD22 ASN A 88 7.684 11.193 9.108 1.00 31.40 H new ATOM 1354 N HIS A 89 7.515 10.584 4.943 1.00 55.40 N ATOM 1355 CA HIS A 89 6.357 9.702 4.663 1.00 75.33 C ATOM 1356 C HIS A 89 6.614 8.252 5.167 1.00 23.11 C ATOM 1357 O HIS A 89 7.740 7.761 5.128 1.00 73.43 O ATOM 1358 CB HIS A 89 6.062 9.712 3.144 1.00 73.14 C ATOM 1359 CG HIS A 89 4.802 8.985 2.742 1.00 1.12 C ATOM 1360 ND1 HIS A 89 4.761 7.616 2.665 1.00 34.14 N ATOM 1361 CD2 HIS A 89 3.585 9.474 2.404 1.00 1.23 C ATOM 1362 CE1 HIS A 89 3.538 7.311 2.286 1.00 2.42 C ATOM 1363 NE2 HIS A 89 2.787 8.403 2.117 1.00 24.11 N ATOM 0 H HIS A 89 8.228 10.560 4.214 1.00 55.40 H new ATOM 0 HA HIS A 89 5.489 10.081 5.202 1.00 75.33 H new ATOM 0 HB2 HIS A 89 5.991 10.747 2.808 1.00 73.14 H new ATOM 0 HB3 HIS A 89 6.907 9.264 2.621 1.00 73.14 H new ATOM 0 HD1 HIS A 89 5.523 6.967 2.861 1.00 34.14 H new ATOM 0 HD2 HIS A 89 3.299 10.515 2.368 1.00 1.23 H new ATOM 0 HE1 HIS A 89 3.185 6.302 2.131 1.00 2.42 H new ATOM 1371 N ARG A 90 5.540 7.581 5.624 1.00 52.32 N ATOM 1372 CA ARG A 90 5.601 6.226 6.215 1.00 0.32 C ATOM 1373 C ARG A 90 4.305 5.432 5.869 1.00 35.54 C ATOM 1374 O ARG A 90 3.224 5.772 6.356 1.00 53.42 O ATOM 1375 CB ARG A 90 5.763 6.374 7.758 1.00 32.14 C ATOM 1376 CG ARG A 90 6.003 5.061 8.537 1.00 44.15 C ATOM 1377 CD ARG A 90 7.377 4.416 8.245 1.00 44.23 C ATOM 1378 NE ARG A 90 7.616 3.234 9.097 1.00 51.05 N ATOM 1379 CZ ARG A 90 8.793 2.769 9.458 1.00 2.24 C ATOM 1380 NH1 ARG A 90 9.890 3.360 9.112 1.00 13.24 N ATOM 1381 NH2 ARG A 90 8.849 1.706 10.190 1.00 42.23 N ATOM 0 H ARG A 90 4.596 7.966 5.594 1.00 52.32 H new ATOM 0 HA ARG A 90 6.448 5.673 5.809 1.00 0.32 H new ATOM 0 HB2 ARG A 90 6.597 7.048 7.954 1.00 32.14 H new ATOM 0 HB3 ARG A 90 4.867 6.851 8.155 1.00 32.14 H new ATOM 0 HG2 ARG A 90 5.924 5.262 9.605 1.00 44.15 H new ATOM 0 HG3 ARG A 90 5.216 4.350 8.287 1.00 44.15 H new ATOM 0 HD2 ARG A 90 7.427 4.125 7.196 1.00 44.23 H new ATOM 0 HD3 ARG A 90 8.166 5.150 8.410 1.00 44.23 H new ATOM 0 HE ARG A 90 6.795 2.733 9.436 1.00 51.05 H new ATOM 0 HH11 ARG A 90 9.856 4.208 8.546 1.00 13.24 H new ATOM 0 HH12 ARG A 90 10.789 2.978 9.405 1.00 13.24 H new ATOM 0 HH21 ARG A 90 7.989 1.240 10.479 1.00 42.23 H new ATOM 0 HH22 ARG A 90 9.753 1.332 10.478 1.00 42.23 H new ATOM 1395 N ALA A 91 4.417 4.383 5.019 1.00 73.35 N ATOM 1396 CA ALA A 91 3.240 3.588 4.546 1.00 14.24 C ATOM 1397 C ALA A 91 3.374 2.070 4.839 1.00 22.00 C ATOM 1398 O ALA A 91 4.475 1.529 4.862 1.00 73.20 O ATOM 1399 CB ALA A 91 3.015 3.825 3.046 1.00 43.32 C ATOM 0 H ALA A 91 5.309 4.061 4.642 1.00 73.35 H new ATOM 0 HA ALA A 91 2.374 3.937 5.109 1.00 14.24 H new ATOM 0 HB1 ALA A 91 2.157 3.243 2.710 1.00 43.32 H new ATOM 0 HB2 ALA A 91 2.827 4.884 2.869 1.00 43.32 H new ATOM 0 HB3 ALA A 91 3.902 3.517 2.492 1.00 43.32 H new ATOM 1405 N VAL A 92 2.219 1.393 5.065 1.00 70.41 N ATOM 1406 CA VAL A 92 2.155 -0.050 5.446 1.00 71.53 C ATOM 1407 C VAL A 92 1.042 -0.810 4.648 1.00 64.31 C ATOM 1408 O VAL A 92 -0.052 -0.285 4.448 1.00 71.15 O ATOM 1409 CB VAL A 92 1.850 -0.213 7.001 1.00 43.01 C ATOM 1410 CG1 VAL A 92 1.872 -1.704 7.449 1.00 14.24 C ATOM 1411 CG2 VAL A 92 2.805 0.636 7.887 1.00 11.23 C ATOM 0 H VAL A 92 1.301 1.830 4.989 1.00 70.41 H new ATOM 0 HA VAL A 92 3.128 -0.479 5.206 1.00 71.53 H new ATOM 0 HB VAL A 92 0.839 0.168 7.147 1.00 43.01 H new ATOM 0 HG11 VAL A 92 1.659 -1.766 8.516 1.00 14.24 H new ATOM 0 HG12 VAL A 92 1.117 -2.262 6.895 1.00 14.24 H new ATOM 0 HG13 VAL A 92 2.856 -2.129 7.250 1.00 14.24 H new ATOM 0 HG21 VAL A 92 2.554 0.488 8.937 1.00 11.23 H new ATOM 0 HG22 VAL A 92 3.835 0.325 7.713 1.00 11.23 H new ATOM 0 HG23 VAL A 92 2.696 1.690 7.633 1.00 11.23 H new ATOM 1421 N LEU A 93 1.349 -2.050 4.212 1.00 42.31 N ATOM 1422 CA LEU A 93 0.343 -3.057 3.778 1.00 33.03 C ATOM 1423 C LEU A 93 0.220 -4.134 4.884 1.00 71.12 C ATOM 1424 O LEU A 93 1.150 -4.916 5.098 1.00 3.50 O ATOM 1425 CB LEU A 93 0.730 -3.731 2.410 1.00 14.42 C ATOM 1426 CG LEU A 93 0.116 -3.114 1.114 1.00 72.41 C ATOM 1427 CD1 LEU A 93 -1.424 -3.115 1.166 1.00 35.33 C ATOM 1428 CD2 LEU A 93 0.666 -1.709 0.823 1.00 60.13 C ATOM 0 H LEU A 93 2.309 -2.389 4.149 1.00 42.31 H new ATOM 0 HA LEU A 93 -0.610 -2.551 3.624 1.00 33.03 H new ATOM 0 HB2 LEU A 93 1.816 -3.705 2.315 1.00 14.42 H new ATOM 0 HB3 LEU A 93 0.439 -4.780 2.456 1.00 14.42 H new ATOM 0 HG LEU A 93 0.421 -3.752 0.284 1.00 72.41 H new ATOM 0 HD11 LEU A 93 -1.819 -2.679 0.249 1.00 35.33 H new ATOM 0 HD12 LEU A 93 -1.784 -4.139 1.265 1.00 35.33 H new ATOM 0 HD13 LEU A 93 -1.760 -2.528 2.021 1.00 35.33 H new ATOM 0 HD21 LEU A 93 0.210 -1.321 -0.088 1.00 60.13 H new ATOM 0 HD22 LEU A 93 0.432 -1.047 1.657 1.00 60.13 H new ATOM 0 HD23 LEU A 93 1.747 -1.761 0.693 1.00 60.13 H new ATOM 1440 N GLU A 94 -0.924 -4.164 5.580 1.00 54.04 N ATOM 1441 CA GLU A 94 -1.179 -5.132 6.672 1.00 64.14 C ATOM 1442 C GLU A 94 -2.511 -5.857 6.391 1.00 14.34 C ATOM 1443 O GLU A 94 -3.571 -5.226 6.316 1.00 22.53 O ATOM 1444 CB GLU A 94 -1.187 -4.399 8.054 1.00 62.51 C ATOM 1445 CG GLU A 94 -0.904 -5.288 9.295 1.00 41.14 C ATOM 1446 CD GLU A 94 -1.986 -6.346 9.605 1.00 14.34 C ATOM 1447 OE1 GLU A 94 -3.049 -5.972 10.141 1.00 31.13 O ATOM 1448 OE2 GLU A 94 -1.773 -7.550 9.333 1.00 63.14 O ATOM 0 H GLU A 94 -1.700 -3.524 5.409 1.00 54.04 H new ATOM 0 HA GLU A 94 -0.384 -5.876 6.713 1.00 64.14 H new ATOM 0 HB2 GLU A 94 -0.444 -3.602 8.025 1.00 62.51 H new ATOM 0 HB3 GLU A 94 -2.159 -3.924 8.186 1.00 62.51 H new ATOM 0 HG2 GLU A 94 0.048 -5.797 9.148 1.00 41.14 H new ATOM 0 HG3 GLU A 94 -0.789 -4.643 10.166 1.00 41.14 H new ATOM 1455 N VAL A 95 -2.442 -7.187 6.237 1.00 63.44 N ATOM 1456 CA VAL A 95 -3.592 -8.015 5.810 1.00 41.22 C ATOM 1457 C VAL A 95 -4.231 -8.743 7.025 1.00 63.20 C ATOM 1458 O VAL A 95 -3.653 -9.671 7.581 1.00 0.22 O ATOM 1459 CB VAL A 95 -3.118 -9.038 4.707 1.00 34.24 C ATOM 1460 CG1 VAL A 95 -4.252 -9.969 4.227 1.00 72.10 C ATOM 1461 CG2 VAL A 95 -2.492 -8.284 3.512 1.00 5.33 C ATOM 0 H VAL A 95 -1.591 -7.724 6.403 1.00 63.44 H new ATOM 0 HA VAL A 95 -4.361 -7.372 5.382 1.00 41.22 H new ATOM 0 HB VAL A 95 -2.364 -9.676 5.168 1.00 34.24 H new ATOM 0 HG11 VAL A 95 -3.867 -10.651 3.469 1.00 72.10 H new ATOM 0 HG12 VAL A 95 -4.633 -10.543 5.071 1.00 72.10 H new ATOM 0 HG13 VAL A 95 -5.058 -9.371 3.802 1.00 72.10 H new ATOM 0 HG21 VAL A 95 -2.169 -9.002 2.758 1.00 5.33 H new ATOM 0 HG22 VAL A 95 -3.232 -7.611 3.079 1.00 5.33 H new ATOM 0 HG23 VAL A 95 -1.633 -7.707 3.855 1.00 5.33 H new ATOM 1471 N VAL A 96 -5.446 -8.306 7.393 1.00 52.31 N ATOM 1472 CA VAL A 96 -6.196 -8.790 8.574 1.00 40.11 C ATOM 1473 C VAL A 96 -7.107 -10.004 8.202 1.00 61.24 C ATOM 1474 O VAL A 96 -8.079 -9.830 7.454 1.00 62.11 O ATOM 1475 CB VAL A 96 -7.094 -7.638 9.176 1.00 32.41 C ATOM 1476 CG1 VAL A 96 -7.726 -8.055 10.528 1.00 63.22 C ATOM 1477 CG2 VAL A 96 -6.303 -6.312 9.310 1.00 14.23 C ATOM 0 H VAL A 96 -5.950 -7.590 6.869 1.00 52.31 H new ATOM 0 HA VAL A 96 -5.464 -9.107 9.317 1.00 40.11 H new ATOM 0 HB VAL A 96 -7.909 -7.465 8.474 1.00 32.41 H new ATOM 0 HG11 VAL A 96 -8.337 -7.238 10.912 1.00 63.22 H new ATOM 0 HG12 VAL A 96 -8.350 -8.936 10.381 1.00 63.22 H new ATOM 0 HG13 VAL A 96 -6.936 -8.285 11.243 1.00 63.22 H new ATOM 0 HG21 VAL A 96 -6.952 -5.542 9.727 1.00 14.23 H new ATOM 0 HG22 VAL A 96 -5.449 -6.463 9.970 1.00 14.23 H new ATOM 0 HG23 VAL A 96 -5.952 -5.997 8.327 1.00 14.23 H new ATOM 1487 N PRO A 97 -6.829 -11.245 8.722 1.00 24.04 N ATOM 1488 CA PRO A 97 -7.606 -12.463 8.368 1.00 63.51 C ATOM 1489 C PRO A 97 -8.981 -12.543 9.091 1.00 5.01 C ATOM 1490 O PRO A 97 -9.064 -12.991 10.238 1.00 13.13 O ATOM 1491 CB PRO A 97 -6.663 -13.638 8.796 1.00 14.43 C ATOM 1492 CG PRO A 97 -5.383 -12.983 9.255 1.00 24.21 C ATOM 1493 CD PRO A 97 -5.754 -11.581 9.680 1.00 41.31 C ATOM 0 HA PRO A 97 -7.867 -12.482 7.310 1.00 63.51 H new ATOM 0 HB2 PRO A 97 -7.110 -14.228 9.596 1.00 14.43 H new ATOM 0 HB3 PRO A 97 -6.479 -14.317 7.963 1.00 14.43 H new ATOM 0 HG2 PRO A 97 -4.938 -13.536 10.083 1.00 24.21 H new ATOM 0 HG3 PRO A 97 -4.646 -12.964 8.452 1.00 24.21 H new ATOM 0 HD2 PRO A 97 -6.102 -11.546 10.712 1.00 41.31 H new ATOM 0 HD3 PRO A 97 -4.911 -10.895 9.604 1.00 41.31 H new ATOM 1501 N ARG A 98 -10.051 -12.081 8.417 1.00 12.43 N ATOM 1502 CA ARG A 98 -11.432 -12.159 8.958 1.00 54.03 C ATOM 1503 C ARG A 98 -12.050 -13.572 8.789 1.00 40.34 C ATOM 1504 O ARG A 98 -12.768 -14.054 9.670 1.00 44.02 O ATOM 1505 CB ARG A 98 -12.355 -11.099 8.293 1.00 63.05 C ATOM 1506 CG ARG A 98 -12.041 -9.632 8.685 1.00 14.03 C ATOM 1507 CD ARG A 98 -13.206 -8.671 8.367 1.00 75.14 C ATOM 1508 NE ARG A 98 -12.898 -7.279 8.743 1.00 4.53 N ATOM 1509 CZ ARG A 98 -13.775 -6.310 8.888 1.00 12.34 C ATOM 1510 NH1 ARG A 98 -15.050 -6.522 8.791 1.00 60.31 N ATOM 1511 NH2 ARG A 98 -13.360 -5.113 9.144 1.00 60.33 N ATOM 0 H ARG A 98 -9.991 -11.648 7.495 1.00 12.43 H new ATOM 0 HA ARG A 98 -11.358 -11.950 10.025 1.00 54.03 H new ATOM 0 HB2 ARG A 98 -12.277 -11.197 7.210 1.00 63.05 H new ATOM 0 HB3 ARG A 98 -13.389 -11.319 8.559 1.00 63.05 H new ATOM 0 HG2 ARG A 98 -11.816 -9.585 9.751 1.00 14.03 H new ATOM 0 HG3 ARG A 98 -11.147 -9.302 8.156 1.00 14.03 H new ATOM 0 HD2 ARG A 98 -13.432 -8.716 7.302 1.00 75.14 H new ATOM 0 HD3 ARG A 98 -14.100 -8.999 8.897 1.00 75.14 H new ATOM 0 HE ARG A 98 -11.918 -7.047 8.905 1.00 4.53 H new ATOM 0 HH11 ARG A 98 -15.398 -7.461 8.597 1.00 60.31 H new ATOM 0 HH12 ARG A 98 -15.706 -5.750 8.909 1.00 60.31 H new ATOM 0 HH21 ARG A 98 -12.361 -4.927 9.232 1.00 60.33 H new ATOM 0 HH22 ARG A 98 -14.032 -4.354 9.258 1.00 60.33 H new ATOM 1525 N ASP A 99 -11.751 -14.222 7.657 1.00 50.32 N ATOM 1526 CA ASP A 99 -12.422 -15.470 7.237 1.00 13.33 C ATOM 1527 C ASP A 99 -11.535 -16.284 6.252 1.00 10.44 C ATOM 1528 O ASP A 99 -10.593 -15.751 5.649 1.00 10.43 O ATOM 1529 CB ASP A 99 -13.794 -15.096 6.598 1.00 73.12 C ATOM 1530 CG ASP A 99 -14.604 -16.300 6.105 1.00 2.42 C ATOM 1531 OD1 ASP A 99 -14.978 -17.149 6.941 1.00 5.41 O ATOM 1532 OD2 ASP A 99 -14.841 -16.421 4.883 1.00 11.54 O ATOM 0 H ASP A 99 -11.037 -13.901 7.003 1.00 50.32 H new ATOM 0 HA ASP A 99 -12.587 -16.111 8.103 1.00 13.33 H new ATOM 0 HB2 ASP A 99 -14.387 -14.549 7.331 1.00 73.12 H new ATOM 0 HB3 ASP A 99 -13.620 -14.421 5.760 1.00 73.12 H new ATOM 1537 N ASP A 100 -11.881 -17.580 6.101 1.00 3.51 N ATOM 1538 CA ASP A 100 -11.194 -18.542 5.202 1.00 41.34 C ATOM 1539 C ASP A 100 -11.283 -18.144 3.701 1.00 2.51 C ATOM 1540 O ASP A 100 -10.499 -18.628 2.887 1.00 44.22 O ATOM 1541 CB ASP A 100 -11.798 -19.955 5.404 1.00 70.43 C ATOM 1542 CG ASP A 100 -11.719 -20.426 6.863 1.00 62.41 C ATOM 1543 OD1 ASP A 100 -12.620 -20.090 7.657 1.00 72.10 O ATOM 1544 OD2 ASP A 100 -10.739 -21.103 7.230 1.00 65.14 O ATOM 0 H ASP A 100 -12.660 -17.999 6.609 1.00 3.51 H new ATOM 0 HA ASP A 100 -10.137 -18.533 5.469 1.00 41.34 H new ATOM 0 HB2 ASP A 100 -12.840 -19.950 5.083 1.00 70.43 H new ATOM 0 HB3 ASP A 100 -11.271 -20.666 4.767 1.00 70.43 H new ATOM 1549 N ARG A 101 -12.276 -17.302 3.343 1.00 33.20 N ATOM 1550 CA ARG A 101 -12.445 -16.772 1.963 1.00 23.54 C ATOM 1551 C ARG A 101 -12.594 -15.235 1.941 1.00 11.21 C ATOM 1552 O ARG A 101 -12.770 -14.662 0.869 1.00 54.44 O ATOM 1553 CB ARG A 101 -13.684 -17.417 1.277 1.00 41.51 C ATOM 1554 CG ARG A 101 -13.533 -18.914 0.931 1.00 72.41 C ATOM 1555 CD ARG A 101 -14.788 -19.478 0.237 1.00 5.14 C ATOM 1556 NE ARG A 101 -14.655 -20.897 -0.139 1.00 20.35 N ATOM 1557 CZ ARG A 101 -15.625 -21.649 -0.622 1.00 42.35 C ATOM 1558 NH1 ARG A 101 -16.836 -21.192 -0.764 1.00 34.52 N ATOM 1559 NH2 ARG A 101 -15.365 -22.864 -0.961 1.00 23.42 N ATOM 0 H ARG A 101 -12.984 -16.968 3.997 1.00 33.20 H new ATOM 0 HA ARG A 101 -11.540 -17.033 1.414 1.00 23.54 H new ATOM 0 HB2 ARG A 101 -14.547 -17.296 1.932 1.00 41.51 H new ATOM 0 HB3 ARG A 101 -13.900 -16.868 0.361 1.00 41.51 H new ATOM 0 HG2 ARG A 101 -12.668 -19.050 0.282 1.00 72.41 H new ATOM 0 HG3 ARG A 101 -13.339 -19.479 1.843 1.00 72.41 H new ATOM 0 HD2 ARG A 101 -15.645 -19.363 0.901 1.00 5.14 H new ATOM 0 HD3 ARG A 101 -14.996 -18.890 -0.657 1.00 5.14 H new ATOM 0 HE ARG A 101 -13.741 -21.332 -0.016 1.00 20.35 H new ATOM 0 HH11 ARG A 101 -17.053 -20.231 -0.499 1.00 34.52 H new ATOM 0 HH12 ARG A 101 -17.568 -21.795 -1.140 1.00 34.52 H new ATOM 0 HH21 ARG A 101 -14.420 -23.232 -0.854 1.00 23.42 H new ATOM 0 HH22 ARG A 101 -16.104 -23.458 -1.336 1.00 23.42 H new ATOM 1573 N HIS A 102 -12.541 -14.565 3.106 1.00 44.54 N ATOM 1574 CA HIS A 102 -12.729 -13.088 3.191 1.00 23.23 C ATOM 1575 C HIS A 102 -11.654 -12.475 4.105 1.00 31.55 C ATOM 1576 O HIS A 102 -11.547 -12.851 5.269 1.00 3.23 O ATOM 1577 CB HIS A 102 -14.150 -12.727 3.717 1.00 74.12 C ATOM 1578 CG HIS A 102 -15.282 -13.308 2.907 1.00 44.15 C ATOM 1579 ND1 HIS A 102 -16.299 -14.058 3.462 1.00 4.23 N ATOM 1580 CD2 HIS A 102 -15.556 -13.244 1.578 1.00 32.34 C ATOM 1581 CE1 HIS A 102 -17.143 -14.421 2.522 1.00 34.32 C ATOM 1582 NE2 HIS A 102 -16.718 -13.941 1.375 1.00 34.02 N ATOM 0 H HIS A 102 -12.370 -15.014 4.006 1.00 44.54 H new ATOM 0 HA HIS A 102 -12.629 -12.675 2.187 1.00 23.23 H new ATOM 0 HB2 HIS A 102 -14.241 -13.073 4.747 1.00 74.12 H new ATOM 0 HB3 HIS A 102 -14.252 -11.642 3.735 1.00 74.12 H new ATOM 0 HD2 HIS A 102 -14.969 -12.740 0.825 1.00 32.34 H new ATOM 0 HE1 HIS A 102 -18.034 -15.013 2.668 1.00 34.32 H new ATOM 0 HE2 HIS A 102 -17.181 -14.067 0.475 1.00 34.02 H new ATOM 1591 N CYS A 103 -10.875 -11.520 3.588 1.00 52.14 N ATOM 1592 CA CYS A 103 -9.753 -10.920 4.339 1.00 54.13 C ATOM 1593 C CYS A 103 -9.622 -9.415 4.043 1.00 62.34 C ATOM 1594 O CYS A 103 -9.726 -8.993 2.891 1.00 43.50 O ATOM 1595 CB CYS A 103 -8.441 -11.648 3.997 1.00 43.13 C ATOM 1596 SG CYS A 103 -7.055 -11.143 5.021 1.00 4.22 S ATOM 0 H CYS A 103 -10.997 -11.140 2.649 1.00 52.14 H new ATOM 0 HA CYS A 103 -9.959 -11.034 5.403 1.00 54.13 H new ATOM 0 HB2 CYS A 103 -8.591 -12.722 4.107 1.00 43.13 H new ATOM 0 HB3 CYS A 103 -8.195 -11.466 2.951 1.00 43.13 H new ATOM 0 HG CYS A 103 -7.431 -10.189 5.820 1.00 4.22 H new ATOM 1602 N THR A 104 -9.377 -8.616 5.091 1.00 34.05 N ATOM 1603 CA THR A 104 -9.313 -7.145 4.980 1.00 40.15 C ATOM 1604 C THR A 104 -7.874 -6.666 4.731 1.00 74.45 C ATOM 1605 O THR A 104 -7.033 -6.771 5.613 1.00 73.43 O ATOM 1606 CB THR A 104 -9.869 -6.459 6.267 1.00 74.21 C ATOM 1607 OG1 THR A 104 -11.151 -7.007 6.575 1.00 11.42 O ATOM 1608 CG2 THR A 104 -9.999 -4.930 6.096 1.00 15.32 C ATOM 0 H THR A 104 -9.218 -8.965 6.036 1.00 34.05 H new ATOM 0 HA THR A 104 -9.932 -6.862 4.129 1.00 40.15 H new ATOM 0 HB THR A 104 -9.164 -6.647 7.077 1.00 74.21 H new ATOM 0 HG1 THR A 104 -11.848 -6.477 6.135 1.00 11.42 H new ATOM 0 HG21 THR A 104 -10.389 -4.493 7.015 1.00 15.32 H new ATOM 0 HG22 THR A 104 -9.020 -4.504 5.879 1.00 15.32 H new ATOM 0 HG23 THR A 104 -10.680 -4.713 5.273 1.00 15.32 H new ATOM 1616 N VAL A 105 -7.587 -6.129 3.537 1.00 40.10 N ATOM 1617 CA VAL A 105 -6.252 -5.575 3.219 1.00 4.55 C ATOM 1618 C VAL A 105 -6.239 -4.072 3.545 1.00 1.12 C ATOM 1619 O VAL A 105 -6.939 -3.284 2.903 1.00 70.31 O ATOM 1620 CB VAL A 105 -5.855 -5.809 1.718 1.00 73.50 C ATOM 1621 CG1 VAL A 105 -4.393 -5.356 1.429 1.00 45.12 C ATOM 1622 CG2 VAL A 105 -6.064 -7.284 1.337 1.00 14.22 C ATOM 0 H VAL A 105 -8.258 -6.064 2.771 1.00 40.10 H new ATOM 0 HA VAL A 105 -5.514 -6.097 3.828 1.00 4.55 H new ATOM 0 HB VAL A 105 -6.507 -5.193 1.098 1.00 73.50 H new ATOM 0 HG11 VAL A 105 -4.157 -5.535 0.380 1.00 45.12 H new ATOM 0 HG12 VAL A 105 -4.291 -4.293 1.648 1.00 45.12 H new ATOM 0 HG13 VAL A 105 -3.706 -5.923 2.057 1.00 45.12 H new ATOM 0 HG21 VAL A 105 -5.785 -7.433 0.294 1.00 14.22 H new ATOM 0 HG22 VAL A 105 -5.443 -7.915 1.973 1.00 14.22 H new ATOM 0 HG23 VAL A 105 -7.112 -7.550 1.474 1.00 14.22 H new ATOM 1632 N VAL A 106 -5.463 -3.697 4.566 1.00 64.11 N ATOM 1633 CA VAL A 106 -5.378 -2.310 5.051 1.00 2.23 C ATOM 1634 C VAL A 106 -4.106 -1.634 4.501 1.00 65.11 C ATOM 1635 O VAL A 106 -2.986 -2.087 4.772 1.00 41.10 O ATOM 1636 CB VAL A 106 -5.374 -2.248 6.626 1.00 54.02 C ATOM 1637 CG1 VAL A 106 -5.369 -0.779 7.137 1.00 64.34 C ATOM 1638 CG2 VAL A 106 -6.565 -3.045 7.221 1.00 71.24 C ATOM 0 H VAL A 106 -4.872 -4.347 5.084 1.00 64.11 H new ATOM 0 HA VAL A 106 -6.259 -1.778 4.693 1.00 2.23 H new ATOM 0 HB VAL A 106 -4.453 -2.718 6.971 1.00 54.02 H new ATOM 0 HG11 VAL A 106 -5.366 -0.773 8.227 1.00 64.34 H new ATOM 0 HG12 VAL A 106 -4.479 -0.269 6.769 1.00 64.34 H new ATOM 0 HG13 VAL A 106 -6.258 -0.264 6.773 1.00 64.34 H new ATOM 0 HG21 VAL A 106 -6.536 -2.984 8.309 1.00 71.24 H new ATOM 0 HG22 VAL A 106 -7.502 -2.623 6.859 1.00 71.24 H new ATOM 0 HG23 VAL A 106 -6.494 -4.088 6.914 1.00 71.24 H new ATOM 1648 N TRP A 107 -4.286 -0.552 3.729 1.00 32.13 N ATOM 1649 CA TRP A 107 -3.174 0.276 3.233 1.00 33.15 C ATOM 1650 C TRP A 107 -3.174 1.617 4.003 1.00 72.31 C ATOM 1651 O TRP A 107 -4.092 2.428 3.874 1.00 33.40 O ATOM 1652 CB TRP A 107 -3.295 0.509 1.705 1.00 61.20 C ATOM 1653 CG TRP A 107 -2.051 1.042 1.020 1.00 32.12 C ATOM 1654 CD1 TRP A 107 -0.866 1.438 1.592 1.00 13.11 C ATOM 1655 CD2 TRP A 107 -1.886 1.222 -0.388 1.00 35.11 C ATOM 1656 NE1 TRP A 107 0.009 1.841 0.625 1.00 33.01 N ATOM 1657 CE2 TRP A 107 -0.589 1.719 -0.599 1.00 33.35 C ATOM 1658 CE3 TRP A 107 -2.715 1.008 -1.489 1.00 4.21 C ATOM 1659 CZ2 TRP A 107 -0.099 2.008 -1.869 1.00 73.53 C ATOM 1660 CZ3 TRP A 107 -2.233 1.295 -2.746 1.00 75.32 C ATOM 1661 CH2 TRP A 107 -0.931 1.789 -2.930 1.00 23.15 C ATOM 0 H TRP A 107 -5.205 -0.226 3.431 1.00 32.13 H new ATOM 0 HA TRP A 107 -2.229 -0.240 3.404 1.00 33.15 H new ATOM 0 HB2 TRP A 107 -3.571 -0.434 1.233 1.00 61.20 H new ATOM 0 HB3 TRP A 107 -4.113 1.207 1.526 1.00 61.20 H new ATOM 0 HD1 TRP A 107 -0.657 1.431 2.652 1.00 13.11 H new ATOM 0 HE1 TRP A 107 0.957 2.179 0.789 1.00 33.01 H new ATOM 0 HE3 TRP A 107 -3.716 0.624 -1.358 1.00 4.21 H new ATOM 0 HZ2 TRP A 107 0.901 2.391 -2.010 1.00 73.53 H new ATOM 0 HZ3 TRP A 107 -2.867 1.138 -3.606 1.00 75.32 H new ATOM 0 HH2 TRP A 107 -0.581 2.000 -3.930 1.00 23.15 H new ATOM 1672 N THR A 108 -2.129 1.822 4.804 1.00 21.31 N ATOM 1673 CA THR A 108 -1.950 3.024 5.636 1.00 63.42 C ATOM 1674 C THR A 108 -0.809 3.887 5.056 1.00 34.44 C ATOM 1675 O THR A 108 0.100 3.364 4.425 1.00 53.25 O ATOM 1676 CB THR A 108 -1.620 2.618 7.119 1.00 30.15 C ATOM 1677 OG1 THR A 108 -2.648 1.739 7.622 1.00 15.24 O ATOM 1678 CG2 THR A 108 -1.500 3.838 8.064 1.00 31.42 C ATOM 0 H THR A 108 -1.367 1.150 4.899 1.00 21.31 H new ATOM 0 HA THR A 108 -2.875 3.600 5.633 1.00 63.42 H new ATOM 0 HB THR A 108 -0.652 2.117 7.101 1.00 30.15 H new ATOM 0 HG1 THR A 108 -2.439 1.486 8.545 1.00 15.24 H new ATOM 0 HG21 THR A 108 -1.271 3.495 9.073 1.00 31.42 H new ATOM 0 HG22 THR A 108 -0.702 4.493 7.714 1.00 31.42 H new ATOM 0 HG23 THR A 108 -2.442 4.386 8.072 1.00 31.42 H new ATOM 1686 N ALA A 109 -0.901 5.203 5.249 1.00 72.31 N ATOM 1687 CA ALA A 109 0.164 6.171 4.925 1.00 44.43 C ATOM 1688 C ALA A 109 0.077 7.341 5.908 1.00 5.32 C ATOM 1689 O ALA A 109 -1.009 7.703 6.332 1.00 74.32 O ATOM 1690 CB ALA A 109 0.031 6.674 3.480 1.00 30.52 C ATOM 0 H ALA A 109 -1.733 5.642 5.643 1.00 72.31 H new ATOM 0 HA ALA A 109 1.134 5.682 5.014 1.00 44.43 H new ATOM 0 HB1 ALA A 109 0.828 7.386 3.268 1.00 30.52 H new ATOM 0 HB2 ALA A 109 0.105 5.831 2.793 1.00 30.52 H new ATOM 0 HB3 ALA A 109 -0.935 7.162 3.352 1.00 30.52 H new ATOM 1696 N MET A 110 1.222 7.907 6.280 1.00 13.14 N ATOM 1697 CA MET A 110 1.292 9.076 7.183 1.00 51.21 C ATOM 1698 C MET A 110 2.582 9.864 6.926 1.00 65.42 C ATOM 1699 O MET A 110 3.670 9.292 6.841 1.00 34.21 O ATOM 1700 CB MET A 110 1.163 8.649 8.675 1.00 22.14 C ATOM 1701 CG MET A 110 2.006 7.436 9.080 1.00 23.03 C ATOM 1702 SD MET A 110 1.764 6.974 10.811 1.00 63.25 S ATOM 1703 CE MET A 110 2.646 5.415 10.891 1.00 3.14 C ATOM 0 H MET A 110 2.135 7.575 5.969 1.00 13.14 H new ATOM 0 HA MET A 110 0.447 9.730 6.969 1.00 51.21 H new ATOM 0 HB2 MET A 110 1.445 9.494 9.304 1.00 22.14 H new ATOM 0 HB3 MET A 110 0.116 8.430 8.885 1.00 22.14 H new ATOM 0 HG2 MET A 110 1.750 6.590 8.442 1.00 23.03 H new ATOM 0 HG3 MET A 110 3.060 7.656 8.910 1.00 23.03 H new ATOM 0 HE1 MET A 110 2.582 5.012 11.902 1.00 3.14 H new ATOM 0 HE2 MET A 110 2.201 4.709 10.190 1.00 3.14 H new ATOM 0 HE3 MET A 110 3.692 5.575 10.630 1.00 3.14 H new ATOM 1713 N PHE A 111 2.441 11.187 6.830 1.00 2.33 N ATOM 1714 CA PHE A 111 3.513 12.084 6.364 1.00 50.12 C ATOM 1715 C PHE A 111 3.576 13.362 7.208 1.00 43.52 C ATOM 1716 O PHE A 111 2.573 13.781 7.790 1.00 45.32 O ATOM 1717 CB PHE A 111 3.322 12.401 4.845 1.00 41.30 C ATOM 1718 CG PHE A 111 1.879 12.713 4.404 1.00 31.02 C ATOM 1719 CD1 PHE A 111 1.249 13.905 4.766 1.00 13.44 C ATOM 1720 CD2 PHE A 111 1.153 11.806 3.625 1.00 63.24 C ATOM 1721 CE1 PHE A 111 -0.040 14.184 4.357 1.00 54.52 C ATOM 1722 CE2 PHE A 111 -0.134 12.086 3.216 1.00 22.10 C ATOM 1723 CZ PHE A 111 -0.732 13.273 3.586 1.00 11.22 C ATOM 0 H PHE A 111 1.578 11.674 7.073 1.00 2.33 H new ATOM 0 HA PHE A 111 4.470 11.578 6.488 1.00 50.12 H new ATOM 0 HB2 PHE A 111 3.953 13.252 4.588 1.00 41.30 H new ATOM 0 HB3 PHE A 111 3.683 11.550 4.267 1.00 41.30 H new ATOM 0 HD1 PHE A 111 1.779 14.621 5.376 1.00 13.44 H new ATOM 0 HD2 PHE A 111 1.609 10.870 3.339 1.00 63.24 H new ATOM 0 HE1 PHE A 111 -0.507 15.116 4.641 1.00 54.52 H new ATOM 0 HE2 PHE A 111 -0.674 11.376 2.606 1.00 22.10 H new ATOM 0 HZ PHE A 111 -1.742 13.489 3.272 1.00 11.22 H new ATOM 1733 N ASP A 112 4.768 13.969 7.275 1.00 31.21 N ATOM 1734 CA ASP A 112 4.967 15.255 7.957 1.00 75.44 C ATOM 1735 C ASP A 112 4.443 16.414 7.070 1.00 72.53 C ATOM 1736 O ASP A 112 5.180 16.959 6.232 1.00 51.52 O ATOM 1737 CB ASP A 112 6.457 15.430 8.309 1.00 13.42 C ATOM 1738 CG ASP A 112 6.754 16.727 9.080 1.00 63.10 C ATOM 1739 OD1 ASP A 112 6.407 16.799 10.270 1.00 60.30 O ATOM 1740 OD2 ASP A 112 7.332 17.671 8.498 1.00 62.54 O ATOM 0 H ASP A 112 5.617 13.585 6.861 1.00 31.21 H new ATOM 0 HA ASP A 112 4.399 15.272 8.887 1.00 75.44 H new ATOM 0 HB2 ASP A 112 6.784 14.578 8.906 1.00 13.42 H new ATOM 0 HB3 ASP A 112 7.043 15.420 7.390 1.00 13.42 H new ATOM 1745 N CYS A 113 3.134 16.707 7.207 1.00 63.43 N ATOM 1746 CA CYS A 113 2.480 17.835 6.503 1.00 64.05 C ATOM 1747 C CYS A 113 1.205 18.316 7.242 1.00 0.14 C ATOM 1748 O CYS A 113 0.718 17.666 8.175 1.00 24.23 O ATOM 1749 CB CYS A 113 2.147 17.434 5.046 1.00 21.34 C ATOM 1750 SG CYS A 113 1.615 18.806 4.004 1.00 40.40 S ATOM 0 H CYS A 113 2.502 16.174 7.804 1.00 63.43 H new ATOM 0 HA CYS A 113 3.181 18.670 6.491 1.00 64.05 H new ATOM 0 HB2 CYS A 113 3.027 16.972 4.598 1.00 21.34 H new ATOM 0 HB3 CYS A 113 1.362 16.678 5.060 1.00 21.34 H new ATOM 0 HG CYS A 113 2.486 18.996 3.058 1.00 40.40 H new ATOM 1756 N SER A 114 0.679 19.465 6.787 1.00 43.23 N ATOM 1757 CA SER A 114 -0.481 20.160 7.402 1.00 35.12 C ATOM 1758 C SER A 114 -1.843 19.479 7.063 1.00 41.23 C ATOM 1759 O SER A 114 -1.981 18.916 5.979 1.00 64.13 O ATOM 1760 CB SER A 114 -0.493 21.634 6.938 1.00 34.02 C ATOM 1761 OG SER A 114 0.719 22.283 7.288 1.00 1.20 O ATOM 0 H SER A 114 1.048 19.951 5.969 1.00 43.23 H new ATOM 0 HA SER A 114 -0.365 20.103 8.484 1.00 35.12 H new ATOM 0 HB2 SER A 114 -0.636 21.679 5.858 1.00 34.02 H new ATOM 0 HB3 SER A 114 -1.335 22.156 7.393 1.00 34.02 H new ATOM 0 HG SER A 114 0.691 23.214 6.984 1.00 1.20 H new ATOM 1767 N PRO A 115 -2.871 19.531 7.993 1.00 55.01 N ATOM 1768 CA PRO A 115 -4.224 18.909 7.781 1.00 42.32 C ATOM 1769 C PRO A 115 -4.963 19.377 6.494 1.00 42.11 C ATOM 1770 O PRO A 115 -5.685 18.591 5.873 1.00 22.30 O ATOM 1771 CB PRO A 115 -5.023 19.328 9.047 1.00 10.54 C ATOM 1772 CG PRO A 115 -3.972 19.569 10.086 1.00 22.21 C ATOM 1773 CD PRO A 115 -2.796 20.167 9.342 1.00 75.21 C ATOM 0 HA PRO A 115 -4.126 17.833 7.641 1.00 42.32 H new ATOM 0 HB2 PRO A 115 -5.615 20.225 8.865 1.00 10.54 H new ATOM 0 HB3 PRO A 115 -5.716 18.546 9.357 1.00 10.54 H new ATOM 0 HG2 PRO A 115 -4.333 20.247 10.859 1.00 22.21 H new ATOM 0 HG3 PRO A 115 -3.691 18.640 10.583 1.00 22.21 H new ATOM 0 HD2 PRO A 115 -2.873 21.252 9.278 1.00 75.21 H new ATOM 0 HD3 PRO A 115 -1.852 19.943 9.839 1.00 75.21 H new ATOM 1781 N GLU A 116 -4.785 20.659 6.118 1.00 33.04 N ATOM 1782 CA GLU A 116 -5.423 21.253 4.910 1.00 63.04 C ATOM 1783 C GLU A 116 -4.809 20.707 3.592 1.00 31.43 C ATOM 1784 O GLU A 116 -5.501 20.607 2.573 1.00 12.21 O ATOM 1785 CB GLU A 116 -5.339 22.797 4.976 1.00 72.21 C ATOM 1786 CG GLU A 116 -6.145 23.409 6.143 1.00 74.33 C ATOM 1787 CD GLU A 116 -5.965 24.930 6.283 1.00 73.02 C ATOM 1788 OE1 GLU A 116 -6.518 25.677 5.451 1.00 64.12 O ATOM 1789 OE2 GLU A 116 -5.256 25.383 7.213 1.00 21.33 O ATOM 0 H GLU A 116 -4.199 21.315 6.635 1.00 33.04 H new ATOM 0 HA GLU A 116 -6.472 20.957 4.904 1.00 63.04 H new ATOM 0 HB2 GLU A 116 -4.294 23.092 5.072 1.00 72.21 H new ATOM 0 HB3 GLU A 116 -5.702 23.213 4.036 1.00 72.21 H new ATOM 0 HG2 GLU A 116 -7.203 23.188 5.999 1.00 74.33 H new ATOM 0 HG3 GLU A 116 -5.843 22.928 7.074 1.00 74.33 H new ATOM 1796 N THR A 117 -3.516 20.362 3.623 1.00 74.12 N ATOM 1797 CA THR A 117 -2.855 19.625 2.513 1.00 42.42 C ATOM 1798 C THR A 117 -3.249 18.131 2.561 1.00 22.35 C ATOM 1799 O THR A 117 -3.488 17.506 1.531 1.00 11.14 O ATOM 1800 CB THR A 117 -1.294 19.757 2.580 1.00 2.44 C ATOM 1801 OG1 THR A 117 -0.918 21.140 2.482 1.00 21.15 O ATOM 1802 CG2 THR A 117 -0.574 18.964 1.467 1.00 5.15 C ATOM 0 H THR A 117 -2.896 20.578 4.403 1.00 74.12 H new ATOM 0 HA THR A 117 -3.194 20.067 1.576 1.00 42.42 H new ATOM 0 HB THR A 117 -0.986 19.337 3.537 1.00 2.44 H new ATOM 0 HG1 THR A 117 0.058 21.218 2.526 1.00 21.15 H new ATOM 0 HG21 THR A 117 0.504 19.095 1.566 1.00 5.15 H new ATOM 0 HG22 THR A 117 -0.821 17.906 1.556 1.00 5.15 H new ATOM 0 HG23 THR A 117 -0.896 19.331 0.492 1.00 5.15 H new ATOM 1810 N ALA A 118 -3.351 17.596 3.791 1.00 24.34 N ATOM 1811 CA ALA A 118 -3.622 16.165 4.054 1.00 11.51 C ATOM 1812 C ALA A 118 -5.048 15.732 3.623 1.00 25.05 C ATOM 1813 O ALA A 118 -5.251 14.582 3.243 1.00 23.14 O ATOM 1814 CB ALA A 118 -3.393 15.858 5.544 1.00 11.34 C ATOM 0 H ALA A 118 -3.247 18.149 4.642 1.00 24.34 H new ATOM 0 HA ALA A 118 -2.926 15.587 3.446 1.00 11.51 H new ATOM 0 HB1 ALA A 118 -3.594 14.803 5.733 1.00 11.34 H new ATOM 0 HB2 ALA A 118 -2.360 16.084 5.807 1.00 11.34 H new ATOM 0 HB3 ALA A 118 -4.063 16.469 6.149 1.00 11.34 H new ATOM 1820 N ARG A 119 -6.028 16.664 3.705 1.00 50.24 N ATOM 1821 CA ARG A 119 -7.424 16.415 3.245 1.00 4.20 C ATOM 1822 C ARG A 119 -7.527 16.457 1.696 1.00 0.22 C ATOM 1823 O ARG A 119 -8.334 15.736 1.095 1.00 51.11 O ATOM 1824 CB ARG A 119 -8.426 17.414 3.890 1.00 4.22 C ATOM 1825 CG ARG A 119 -8.157 18.903 3.584 1.00 50.55 C ATOM 1826 CD ARG A 119 -9.230 19.841 4.170 1.00 44.43 C ATOM 1827 NE ARG A 119 -9.379 19.708 5.633 1.00 12.41 N ATOM 1828 CZ ARG A 119 -10.311 20.293 6.364 1.00 71.32 C ATOM 1829 NH1 ARG A 119 -11.203 21.066 5.828 1.00 40.01 N ATOM 1830 NH2 ARG A 119 -10.346 20.078 7.636 1.00 14.21 N ATOM 0 H ARG A 119 -5.881 17.599 4.086 1.00 50.24 H new ATOM 0 HA ARG A 119 -7.695 15.412 3.574 1.00 4.20 H new ATOM 0 HB2 ARG A 119 -9.432 17.166 3.551 1.00 4.22 H new ATOM 0 HB3 ARG A 119 -8.410 17.273 4.971 1.00 4.22 H new ATOM 0 HG2 ARG A 119 -7.182 19.180 3.985 1.00 50.55 H new ATOM 0 HG3 ARG A 119 -8.110 19.044 2.504 1.00 50.55 H new ATOM 0 HD2 ARG A 119 -8.973 20.873 3.929 1.00 44.43 H new ATOM 0 HD3 ARG A 119 -10.187 19.631 3.693 1.00 44.43 H new ATOM 0 HE ARG A 119 -8.707 19.115 6.120 1.00 12.41 H new ATOM 0 HH11 ARG A 119 -11.195 21.233 4.822 1.00 40.01 H new ATOM 0 HH12 ARG A 119 -11.913 21.507 6.412 1.00 40.01 H new ATOM 0 HH21 ARG A 119 -9.658 19.461 8.068 1.00 14.21 H new ATOM 0 HH22 ARG A 119 -11.062 20.525 8.209 1.00 14.21 H new ATOM 1844 N GLU A 120 -6.703 17.316 1.063 1.00 42.42 N ATOM 1845 CA GLU A 120 -6.577 17.382 -0.411 1.00 10.13 C ATOM 1846 C GLU A 120 -5.924 16.086 -0.951 1.00 42.01 C ATOM 1847 O GLU A 120 -6.371 15.513 -1.952 1.00 74.01 O ATOM 1848 CB GLU A 120 -5.751 18.635 -0.816 1.00 75.04 C ATOM 1849 CG GLU A 120 -5.544 18.803 -2.336 1.00 11.32 C ATOM 1850 CD GLU A 120 -4.889 20.139 -2.723 1.00 70.43 C ATOM 1851 OE1 GLU A 120 -3.644 20.219 -2.759 1.00 4.40 O ATOM 1852 OE2 GLU A 120 -5.622 21.118 -2.986 1.00 14.31 O ATOM 0 H GLU A 120 -6.107 17.982 1.555 1.00 42.42 H new ATOM 0 HA GLU A 120 -7.570 17.468 -0.853 1.00 10.13 H new ATOM 0 HB2 GLU A 120 -6.250 19.524 -0.430 1.00 75.04 H new ATOM 0 HB3 GLU A 120 -4.775 18.583 -0.333 1.00 75.04 H new ATOM 0 HG2 GLU A 120 -4.925 17.984 -2.703 1.00 11.32 H new ATOM 0 HG3 GLU A 120 -6.509 18.722 -2.837 1.00 11.32 H new ATOM 1859 N LEU A 121 -4.886 15.624 -0.235 1.00 11.11 N ATOM 1860 CA LEU A 121 -4.190 14.361 -0.534 1.00 51.45 C ATOM 1861 C LEU A 121 -5.043 13.139 -0.125 1.00 23.41 C ATOM 1862 O LEU A 121 -4.874 12.069 -0.675 1.00 4.24 O ATOM 1863 CB LEU A 121 -2.795 14.322 0.152 1.00 60.22 C ATOM 1864 CG LEU A 121 -1.759 15.395 -0.338 1.00 74.45 C ATOM 1865 CD1 LEU A 121 -0.401 15.241 0.383 1.00 51.30 C ATOM 1866 CD2 LEU A 121 -1.584 15.352 -1.877 1.00 1.53 C ATOM 0 H LEU A 121 -4.504 16.118 0.571 1.00 11.11 H new ATOM 0 HA LEU A 121 -4.039 14.311 -1.612 1.00 51.45 H new ATOM 0 HB2 LEU A 121 -2.936 14.445 1.226 1.00 60.22 H new ATOM 0 HB3 LEU A 121 -2.364 13.333 -0.001 1.00 60.22 H new ATOM 0 HG LEU A 121 -2.160 16.375 -0.079 1.00 74.45 H new ATOM 0 HD11 LEU A 121 0.292 16.000 0.019 1.00 51.30 H new ATOM 0 HD12 LEU A 121 -0.543 15.364 1.457 1.00 51.30 H new ATOM 0 HD13 LEU A 121 0.007 14.251 0.182 1.00 51.30 H new ATOM 0 HD21 LEU A 121 -0.860 16.108 -2.182 1.00 1.53 H new ATOM 0 HD22 LEU A 121 -1.227 14.366 -2.175 1.00 1.53 H new ATOM 0 HD23 LEU A 121 -2.542 15.552 -2.358 1.00 1.53 H new ATOM 1878 N GLU A 122 -5.961 13.310 0.844 1.00 24.22 N ATOM 1879 CA GLU A 122 -6.959 12.265 1.211 1.00 12.34 C ATOM 1880 C GLU A 122 -7.858 11.911 0.002 1.00 54.12 C ATOM 1881 O GLU A 122 -8.250 10.750 -0.184 1.00 41.24 O ATOM 1882 CB GLU A 122 -7.795 12.745 2.438 1.00 73.15 C ATOM 1883 CG GLU A 122 -9.091 11.956 2.766 1.00 11.42 C ATOM 1884 CD GLU A 122 -8.934 10.484 3.216 1.00 61.21 C ATOM 1885 OE1 GLU A 122 -7.820 9.919 3.214 1.00 3.40 O ATOM 1886 OE2 GLU A 122 -9.967 9.871 3.553 1.00 12.31 O ATOM 0 H GLU A 122 -6.039 14.165 1.395 1.00 24.22 H new ATOM 0 HA GLU A 122 -6.435 11.352 1.493 1.00 12.34 H new ATOM 0 HB2 GLU A 122 -7.151 12.717 3.317 1.00 73.15 H new ATOM 0 HB3 GLU A 122 -8.067 13.788 2.275 1.00 73.15 H new ATOM 0 HG2 GLU A 122 -9.623 12.493 3.551 1.00 11.42 H new ATOM 0 HG3 GLU A 122 -9.728 11.972 1.882 1.00 11.42 H new ATOM 1893 N SER A 123 -8.177 12.931 -0.812 1.00 65.03 N ATOM 1894 CA SER A 123 -8.857 12.739 -2.113 1.00 64.21 C ATOM 1895 C SER A 123 -7.905 12.122 -3.179 1.00 74.21 C ATOM 1896 O SER A 123 -8.229 11.098 -3.783 1.00 55.00 O ATOM 1897 CB SER A 123 -9.427 14.084 -2.623 1.00 65.21 C ATOM 1898 OG SER A 123 -10.152 13.922 -3.834 1.00 10.52 O ATOM 0 H SER A 123 -7.975 13.906 -0.593 1.00 65.03 H new ATOM 0 HA SER A 123 -9.676 12.037 -1.955 1.00 64.21 H new ATOM 0 HB2 SER A 123 -10.079 14.514 -1.863 1.00 65.21 H new ATOM 0 HB3 SER A 123 -8.611 14.789 -2.779 1.00 65.21 H new ATOM 0 HG SER A 123 -10.499 14.791 -4.126 1.00 10.52 H new ATOM 1904 N VAL A 124 -6.726 12.751 -3.396 1.00 22.21 N ATOM 1905 CA VAL A 124 -5.785 12.368 -4.493 1.00 24.31 C ATOM 1906 C VAL A 124 -5.022 11.034 -4.210 1.00 74.24 C ATOM 1907 O VAL A 124 -5.106 10.078 -4.987 1.00 52.33 O ATOM 1908 CB VAL A 124 -4.751 13.540 -4.739 1.00 11.43 C ATOM 1909 CG1 VAL A 124 -3.718 13.191 -5.845 1.00 45.22 C ATOM 1910 CG2 VAL A 124 -5.489 14.869 -5.067 1.00 3.34 C ATOM 0 H VAL A 124 -6.396 13.530 -2.827 1.00 22.21 H new ATOM 0 HA VAL A 124 -6.387 12.200 -5.386 1.00 24.31 H new ATOM 0 HB VAL A 124 -4.192 13.674 -3.813 1.00 11.43 H new ATOM 0 HG11 VAL A 124 -3.030 14.026 -5.977 1.00 45.22 H new ATOM 0 HG12 VAL A 124 -3.158 12.303 -5.553 1.00 45.22 H new ATOM 0 HG13 VAL A 124 -4.240 12.999 -6.783 1.00 45.22 H new ATOM 0 HG21 VAL A 124 -4.758 15.660 -5.232 1.00 3.34 H new ATOM 0 HG22 VAL A 124 -6.091 14.738 -5.966 1.00 3.34 H new ATOM 0 HG23 VAL A 124 -6.136 15.141 -4.233 1.00 3.34 H new ATOM 1920 N ILE A 125 -4.301 10.985 -3.085 1.00 22.45 N ATOM 1921 CA ILE A 125 -3.536 9.790 -2.645 1.00 21.44 C ATOM 1922 C ILE A 125 -4.479 8.726 -2.022 1.00 64.23 C ATOM 1923 O ILE A 125 -4.538 7.590 -2.493 1.00 22.50 O ATOM 1924 CB ILE A 125 -2.419 10.186 -1.597 1.00 64.21 C ATOM 1925 CG1 ILE A 125 -1.414 11.214 -2.201 1.00 53.15 C ATOM 1926 CG2 ILE A 125 -1.677 8.943 -1.032 1.00 44.13 C ATOM 1927 CD1 ILE A 125 -0.326 11.684 -1.237 1.00 12.55 C ATOM 0 H ILE A 125 -4.225 11.773 -2.442 1.00 22.45 H new ATOM 0 HA ILE A 125 -3.057 9.365 -3.527 1.00 21.44 H new ATOM 0 HB ILE A 125 -2.927 10.663 -0.759 1.00 64.21 H new ATOM 0 HG12 ILE A 125 -0.939 10.767 -3.074 1.00 53.15 H new ATOM 0 HG13 ILE A 125 -1.971 12.083 -2.551 1.00 53.15 H new ATOM 0 HG21 ILE A 125 -0.920 9.265 -0.317 1.00 44.13 H new ATOM 0 HG22 ILE A 125 -2.392 8.288 -0.533 1.00 44.13 H new ATOM 0 HG23 ILE A 125 -1.198 8.403 -1.849 1.00 44.13 H new ATOM 0 HD11 ILE A 125 0.326 12.396 -1.743 1.00 12.55 H new ATOM 0 HD12 ILE A 125 -0.787 12.164 -0.374 1.00 12.55 H new ATOM 0 HD13 ILE A 125 0.261 10.828 -0.905 1.00 12.55 H new ATOM 1939 N GLY A 126 -5.214 9.122 -0.963 1.00 11.11 N ATOM 1940 CA GLY A 126 -6.055 8.195 -0.192 1.00 64.44 C ATOM 1941 C GLY A 126 -7.161 7.516 -1.012 1.00 0.12 C ATOM 1942 O GLY A 126 -7.307 6.298 -0.986 1.00 13.50 O ATOM 0 H GLY A 126 -5.239 10.084 -0.624 1.00 11.11 H new ATOM 0 HA2 GLY A 126 -5.420 7.426 0.247 1.00 64.44 H new ATOM 0 HA3 GLY A 126 -6.513 8.739 0.634 1.00 64.44 H new ATOM 1946 N ASP A 127 -7.951 8.309 -1.744 1.00 21.11 N ATOM 1947 CA ASP A 127 -9.107 7.788 -2.506 1.00 52.13 C ATOM 1948 C ASP A 127 -8.743 7.494 -3.990 1.00 24.24 C ATOM 1949 O ASP A 127 -9.164 6.473 -4.552 1.00 33.32 O ATOM 1950 CB ASP A 127 -10.287 8.785 -2.388 1.00 51.14 C ATOM 1951 CG ASP A 127 -11.625 8.175 -2.825 1.00 45.35 C ATOM 1952 OD1 ASP A 127 -12.077 7.216 -2.164 1.00 0.32 O ATOM 1953 OD2 ASP A 127 -12.222 8.638 -3.821 1.00 51.34 O ATOM 0 H ASP A 127 -7.816 9.316 -1.829 1.00 21.11 H new ATOM 0 HA ASP A 127 -9.408 6.832 -2.077 1.00 52.13 H new ATOM 0 HB2 ASP A 127 -10.368 9.125 -1.356 1.00 51.14 H new ATOM 0 HB3 ASP A 127 -10.077 9.664 -2.998 1.00 51.14 H new ATOM 1958 N GLY A 128 -7.933 8.382 -4.598 1.00 54.04 N ATOM 1959 CA GLY A 128 -7.583 8.290 -6.027 1.00 21.11 C ATOM 1960 C GLY A 128 -6.470 7.285 -6.356 1.00 73.13 C ATOM 1961 O GLY A 128 -6.297 6.919 -7.521 1.00 14.12 O ATOM 0 H GLY A 128 -7.507 9.175 -4.118 1.00 54.04 H new ATOM 0 HA2 GLY A 128 -8.477 8.017 -6.588 1.00 21.11 H new ATOM 0 HA3 GLY A 128 -7.277 9.276 -6.375 1.00 21.11 H new ATOM 1965 N VAL A 129 -5.686 6.866 -5.343 1.00 14.40 N ATOM 1966 CA VAL A 129 -4.609 5.855 -5.517 1.00 72.21 C ATOM 1967 C VAL A 129 -4.902 4.580 -4.682 1.00 63.30 C ATOM 1968 O VAL A 129 -4.889 3.464 -5.215 1.00 52.43 O ATOM 1969 CB VAL A 129 -3.192 6.443 -5.129 1.00 13.31 C ATOM 1970 CG1 VAL A 129 -2.058 5.389 -5.267 1.00 31.11 C ATOM 1971 CG2 VAL A 129 -2.865 7.715 -5.952 1.00 42.21 C ATOM 0 H VAL A 129 -5.775 7.211 -4.387 1.00 14.40 H new ATOM 0 HA VAL A 129 -4.589 5.585 -6.573 1.00 72.21 H new ATOM 0 HB VAL A 129 -3.247 6.722 -4.077 1.00 13.31 H new ATOM 0 HG11 VAL A 129 -1.106 5.841 -4.990 1.00 31.11 H new ATOM 0 HG12 VAL A 129 -2.264 4.544 -4.609 1.00 31.11 H new ATOM 0 HG13 VAL A 129 -2.008 5.042 -6.299 1.00 31.11 H new ATOM 0 HG21 VAL A 129 -1.885 8.094 -5.662 1.00 42.21 H new ATOM 0 HG22 VAL A 129 -2.859 7.470 -7.014 1.00 42.21 H new ATOM 0 HG23 VAL A 129 -3.620 8.477 -5.760 1.00 42.21 H new ATOM 1981 N PHE A 130 -5.169 4.754 -3.368 1.00 31.40 N ATOM 1982 CA PHE A 130 -5.317 3.613 -2.417 1.00 34.32 C ATOM 1983 C PHE A 130 -6.695 2.923 -2.546 1.00 73.03 C ATOM 1984 O PHE A 130 -6.759 1.706 -2.728 1.00 21.15 O ATOM 1985 CB PHE A 130 -5.101 4.061 -0.937 1.00 25.43 C ATOM 1986 CG PHE A 130 -3.704 4.539 -0.537 1.00 52.41 C ATOM 1987 CD1 PHE A 130 -2.750 4.937 -1.476 1.00 5.15 C ATOM 1988 CD2 PHE A 130 -3.349 4.583 0.814 1.00 53.51 C ATOM 1989 CE1 PHE A 130 -1.497 5.357 -1.082 1.00 64.04 C ATOM 1990 CE2 PHE A 130 -2.099 5.003 1.204 1.00 4.42 C ATOM 1991 CZ PHE A 130 -1.172 5.391 0.259 1.00 61.01 C ATOM 0 H PHE A 130 -5.288 5.670 -2.936 1.00 31.40 H new ATOM 0 HA PHE A 130 -4.542 2.895 -2.687 1.00 34.32 H new ATOM 0 HB2 PHE A 130 -5.805 4.865 -0.724 1.00 25.43 H new ATOM 0 HB3 PHE A 130 -5.367 3.225 -0.291 1.00 25.43 H new ATOM 0 HD1 PHE A 130 -2.997 4.916 -2.527 1.00 5.15 H new ATOM 0 HD2 PHE A 130 -4.067 4.283 1.563 1.00 53.51 H new ATOM 0 HE1 PHE A 130 -0.771 5.659 -1.822 1.00 64.04 H new ATOM 0 HE2 PHE A 130 -1.842 5.029 2.253 1.00 4.42 H new ATOM 0 HZ PHE A 130 -0.192 5.722 0.569 1.00 61.01 H new ATOM 2001 N ALA A 131 -7.792 3.706 -2.448 1.00 32.31 N ATOM 2002 CA ALA A 131 -9.176 3.175 -2.601 1.00 62.15 C ATOM 2003 C ALA A 131 -9.445 2.650 -4.037 1.00 33.43 C ATOM 2004 O ALA A 131 -10.433 1.961 -4.280 1.00 40.41 O ATOM 2005 CB ALA A 131 -10.209 4.238 -2.210 1.00 53.14 C ATOM 0 H ALA A 131 -7.752 4.708 -2.264 1.00 32.31 H new ATOM 0 HA ALA A 131 -9.273 2.326 -1.924 1.00 62.15 H new ATOM 0 HB1 ALA A 131 -11.213 3.831 -2.329 1.00 53.14 H new ATOM 0 HB2 ALA A 131 -10.056 4.529 -1.171 1.00 53.14 H new ATOM 0 HB3 ALA A 131 -10.093 5.111 -2.852 1.00 53.14 H new ATOM 2011 N VAL A 132 -8.574 3.028 -4.982 1.00 54.11 N ATOM 2012 CA VAL A 132 -8.531 2.453 -6.339 1.00 42.21 C ATOM 2013 C VAL A 132 -7.766 1.097 -6.346 1.00 30.52 C ATOM 2014 O VAL A 132 -8.281 0.084 -6.837 1.00 64.23 O ATOM 2015 CB VAL A 132 -7.861 3.487 -7.324 1.00 3.51 C ATOM 2016 CG1 VAL A 132 -7.432 2.838 -8.660 1.00 73.32 C ATOM 2017 CG2 VAL A 132 -8.804 4.696 -7.567 1.00 20.50 C ATOM 0 H VAL A 132 -7.870 3.750 -4.827 1.00 54.11 H new ATOM 0 HA VAL A 132 -9.549 2.253 -6.673 1.00 42.21 H new ATOM 0 HB VAL A 132 -6.950 3.845 -6.845 1.00 3.51 H new ATOM 0 HG11 VAL A 132 -6.977 3.593 -9.301 1.00 73.32 H new ATOM 0 HG12 VAL A 132 -6.710 2.045 -8.464 1.00 73.32 H new ATOM 0 HG13 VAL A 132 -8.306 2.418 -9.158 1.00 73.32 H new ATOM 0 HG21 VAL A 132 -8.326 5.399 -8.249 1.00 20.50 H new ATOM 0 HG22 VAL A 132 -9.739 4.346 -8.004 1.00 20.50 H new ATOM 0 HG23 VAL A 132 -9.010 5.193 -6.619 1.00 20.50 H new ATOM 2027 N GLY A 133 -6.543 1.104 -5.782 1.00 41.21 N ATOM 2028 CA GLY A 133 -5.640 -0.058 -5.805 1.00 2.23 C ATOM 2029 C GLY A 133 -6.154 -1.271 -5.020 1.00 70.21 C ATOM 2030 O GLY A 133 -6.198 -2.380 -5.551 1.00 34.13 O ATOM 0 H GLY A 133 -6.156 1.915 -5.299 1.00 41.21 H new ATOM 0 HA2 GLY A 133 -5.474 -0.354 -6.841 1.00 2.23 H new ATOM 0 HA3 GLY A 133 -4.673 0.240 -5.399 1.00 2.23 H new ATOM 2034 N LEU A 134 -6.533 -1.043 -3.750 1.00 71.12 N ATOM 2035 CA LEU A 134 -7.106 -2.086 -2.856 1.00 34.22 C ATOM 2036 C LEU A 134 -8.392 -2.722 -3.427 1.00 35.21 C ATOM 2037 O LEU A 134 -8.635 -3.926 -3.254 1.00 44.12 O ATOM 2038 CB LEU A 134 -7.404 -1.490 -1.460 1.00 51.30 C ATOM 2039 CG LEU A 134 -6.172 -1.103 -0.593 1.00 41.23 C ATOM 2040 CD1 LEU A 134 -6.627 -0.631 0.800 1.00 1.43 C ATOM 2041 CD2 LEU A 134 -5.170 -2.274 -0.493 1.00 11.43 C ATOM 0 H LEU A 134 -6.453 -0.129 -3.305 1.00 71.12 H new ATOM 0 HA LEU A 134 -6.357 -2.874 -2.777 1.00 34.22 H new ATOM 0 HB2 LEU A 134 -8.020 -0.601 -1.593 1.00 51.30 H new ATOM 0 HB3 LEU A 134 -8.001 -2.211 -0.902 1.00 51.30 H new ATOM 0 HG LEU A 134 -5.654 -0.276 -1.079 1.00 41.23 H new ATOM 0 HD11 LEU A 134 -5.755 -0.363 1.396 1.00 1.43 H new ATOM 0 HD12 LEU A 134 -7.276 0.239 0.696 1.00 1.43 H new ATOM 0 HD13 LEU A 134 -7.173 -1.434 1.296 1.00 1.43 H new ATOM 0 HD21 LEU A 134 -4.319 -1.974 0.119 1.00 11.43 H new ATOM 0 HD22 LEU A 134 -5.660 -3.134 -0.037 1.00 11.43 H new ATOM 0 HD23 LEU A 134 -4.822 -2.542 -1.491 1.00 11.43 H new ATOM 2053 N ASN A 135 -9.210 -1.898 -4.103 1.00 12.42 N ATOM 2054 CA ASN A 135 -10.425 -2.382 -4.775 1.00 21.55 C ATOM 2055 C ASN A 135 -10.037 -3.279 -5.964 1.00 42.44 C ATOM 2056 O ASN A 135 -10.558 -4.376 -6.082 1.00 41.43 O ATOM 2057 CB ASN A 135 -11.342 -1.212 -5.219 1.00 1.44 C ATOM 2058 CG ASN A 135 -12.140 -0.600 -4.060 1.00 12.14 C ATOM 2059 OD1 ASN A 135 -11.724 -0.623 -2.908 1.00 73.21 O ATOM 2060 ND2 ASN A 135 -13.292 -0.033 -4.367 1.00 41.00 N ATOM 0 H ASN A 135 -9.051 -0.895 -4.198 1.00 12.42 H new ATOM 0 HA ASN A 135 -11.001 -2.974 -4.064 1.00 21.55 H new ATOM 0 HB2 ASN A 135 -10.732 -0.436 -5.682 1.00 1.44 H new ATOM 0 HB3 ASN A 135 -12.035 -1.570 -5.980 1.00 1.44 H new ATOM 0 HD21 ASN A 135 -13.858 0.399 -3.637 1.00 41.00 H new ATOM 0 HD22 ASN A 135 -13.616 -0.027 -5.334 1.00 41.00 H new ATOM 2067 N ALA A 136 -9.061 -2.826 -6.786 1.00 72.21 N ATOM 2068 CA ALA A 136 -8.563 -3.582 -7.970 1.00 53.20 C ATOM 2069 C ALA A 136 -7.948 -4.952 -7.577 1.00 43.41 C ATOM 2070 O ALA A 136 -8.057 -5.931 -8.321 1.00 72.31 O ATOM 2071 CB ALA A 136 -7.543 -2.733 -8.733 1.00 33.33 C ATOM 0 H ALA A 136 -8.595 -1.929 -6.651 1.00 72.21 H new ATOM 0 HA ALA A 136 -9.417 -3.792 -8.614 1.00 53.20 H new ATOM 0 HB1 ALA A 136 -7.181 -3.289 -9.598 1.00 33.33 H new ATOM 0 HB2 ALA A 136 -8.016 -1.809 -9.067 1.00 33.33 H new ATOM 0 HB3 ALA A 136 -6.705 -2.495 -8.078 1.00 33.33 H new ATOM 2077 N LEU A 137 -7.312 -4.985 -6.398 1.00 15.14 N ATOM 2078 CA LEU A 137 -6.811 -6.221 -5.754 1.00 23.13 C ATOM 2079 C LEU A 137 -7.984 -7.201 -5.496 1.00 33.02 C ATOM 2080 O LEU A 137 -7.938 -8.374 -5.859 1.00 71.51 O ATOM 2081 CB LEU A 137 -6.073 -5.813 -4.433 1.00 51.51 C ATOM 2082 CG LEU A 137 -5.379 -6.937 -3.576 1.00 21.44 C ATOM 2083 CD1 LEU A 137 -4.228 -6.358 -2.728 1.00 61.14 C ATOM 2084 CD2 LEU A 137 -6.367 -7.678 -2.650 1.00 62.30 C ATOM 0 H LEU A 137 -7.125 -4.144 -5.851 1.00 15.14 H new ATOM 0 HA LEU A 137 -6.107 -6.743 -6.402 1.00 23.13 H new ATOM 0 HB2 LEU A 137 -5.311 -5.078 -4.694 1.00 51.51 H new ATOM 0 HB3 LEU A 137 -6.796 -5.309 -3.793 1.00 51.51 H new ATOM 0 HG LEU A 137 -4.983 -7.657 -4.292 1.00 21.44 H new ATOM 0 HD11 LEU A 137 -3.767 -7.157 -2.147 1.00 61.14 H new ATOM 0 HD12 LEU A 137 -3.482 -5.910 -3.385 1.00 61.14 H new ATOM 0 HD13 LEU A 137 -4.620 -5.598 -2.053 1.00 61.14 H new ATOM 0 HD21 LEU A 137 -5.833 -8.441 -2.084 1.00 62.30 H new ATOM 0 HD22 LEU A 137 -6.822 -6.967 -1.961 1.00 62.30 H new ATOM 0 HD23 LEU A 137 -7.145 -8.150 -3.251 1.00 62.30 H new ATOM 2096 N ALA A 138 -9.048 -6.673 -4.897 1.00 54.41 N ATOM 2097 CA ALA A 138 -10.259 -7.452 -4.578 1.00 3.34 C ATOM 2098 C ALA A 138 -11.071 -7.817 -5.859 1.00 34.50 C ATOM 2099 O ALA A 138 -11.819 -8.799 -5.863 1.00 73.22 O ATOM 2100 CB ALA A 138 -11.106 -6.681 -3.563 1.00 11.21 C ATOM 0 H ALA A 138 -9.103 -5.694 -4.616 1.00 54.41 H new ATOM 0 HA ALA A 138 -9.958 -8.401 -4.133 1.00 3.34 H new ATOM 0 HB1 ALA A 138 -12.002 -7.255 -3.326 1.00 11.21 H new ATOM 0 HB2 ALA A 138 -10.527 -6.520 -2.654 1.00 11.21 H new ATOM 0 HB3 ALA A 138 -11.393 -5.718 -3.986 1.00 11.21 H new ATOM 2106 N GLU A 139 -10.902 -7.016 -6.947 1.00 74.13 N ATOM 2107 CA GLU A 139 -11.553 -7.267 -8.266 1.00 62.24 C ATOM 2108 C GLU A 139 -10.982 -8.545 -8.919 1.00 44.51 C ATOM 2109 O GLU A 139 -11.739 -9.437 -9.319 1.00 51.20 O ATOM 2110 CB GLU A 139 -11.350 -6.061 -9.238 1.00 71.34 C ATOM 2111 CG GLU A 139 -11.972 -4.712 -8.798 1.00 4.24 C ATOM 2112 CD GLU A 139 -13.479 -4.568 -9.064 1.00 64.11 C ATOM 2113 OE1 GLU A 139 -14.280 -5.198 -8.355 1.00 34.20 O ATOM 2114 OE2 GLU A 139 -13.867 -3.811 -9.976 1.00 63.31 O ATOM 0 H GLU A 139 -10.314 -6.182 -6.936 1.00 74.13 H new ATOM 0 HA GLU A 139 -12.620 -7.396 -8.082 1.00 62.24 H new ATOM 0 HB2 GLU A 139 -10.280 -5.914 -9.381 1.00 71.34 H new ATOM 0 HB3 GLU A 139 -11.767 -6.330 -10.208 1.00 71.34 H new ATOM 0 HG2 GLU A 139 -11.793 -4.579 -7.731 1.00 4.24 H new ATOM 0 HG3 GLU A 139 -11.450 -3.905 -9.312 1.00 4.24 H new ATOM 2121 N ARG A 140 -9.630 -8.631 -8.995 1.00 63.40 N ATOM 2122 CA ARG A 140 -8.931 -9.773 -9.639 1.00 44.12 C ATOM 2123 C ARG A 140 -9.015 -11.078 -8.801 1.00 54.14 C ATOM 2124 O ARG A 140 -8.723 -12.163 -9.307 1.00 72.40 O ATOM 2125 CB ARG A 140 -7.454 -9.395 -10.036 1.00 33.05 C ATOM 2126 CG ARG A 140 -6.528 -8.796 -8.936 1.00 60.40 C ATOM 2127 CD ARG A 140 -6.052 -9.810 -7.871 1.00 3.24 C ATOM 2128 NE ARG A 140 -5.473 -11.033 -8.459 1.00 53.45 N ATOM 2129 CZ ARG A 140 -4.482 -11.729 -7.953 1.00 31.21 C ATOM 2130 NH1 ARG A 140 -3.833 -11.314 -6.921 1.00 43.13 N ATOM 2131 NH2 ARG A 140 -4.129 -12.834 -8.513 1.00 23.32 N ATOM 0 H ARG A 140 -9.001 -7.922 -8.618 1.00 63.40 H new ATOM 0 HA ARG A 140 -9.462 -9.989 -10.566 1.00 44.12 H new ATOM 0 HB2 ARG A 140 -6.973 -10.293 -10.424 1.00 33.05 H new ATOM 0 HB3 ARG A 140 -7.502 -8.679 -10.857 1.00 33.05 H new ATOM 0 HG2 ARG A 140 -5.654 -8.356 -9.416 1.00 60.40 H new ATOM 0 HG3 ARG A 140 -7.058 -7.986 -8.435 1.00 60.40 H new ATOM 0 HD2 ARG A 140 -5.309 -9.334 -7.231 1.00 3.24 H new ATOM 0 HD3 ARG A 140 -6.894 -10.083 -7.235 1.00 3.24 H new ATOM 0 HE ARG A 140 -5.878 -11.366 -9.334 1.00 53.45 H new ATOM 0 HH11 ARG A 140 -4.086 -10.429 -6.481 1.00 43.13 H new ATOM 0 HH12 ARG A 140 -3.066 -11.870 -6.543 1.00 43.13 H new ATOM 0 HH21 ARG A 140 -4.619 -13.163 -9.345 1.00 23.32 H new ATOM 0 HH22 ARG A 140 -3.360 -13.380 -8.125 1.00 23.32 H new ATOM 2145 N TYR A 141 -9.387 -10.956 -7.511 1.00 23.54 N ATOM 2146 CA TYR A 141 -9.708 -12.120 -6.647 1.00 51.50 C ATOM 2147 C TYR A 141 -11.194 -12.559 -6.756 1.00 13.42 C ATOM 2148 O TYR A 141 -11.508 -13.716 -6.453 1.00 60.34 O ATOM 2149 CB TYR A 141 -9.346 -11.830 -5.164 1.00 54.12 C ATOM 2150 CG TYR A 141 -7.848 -11.959 -4.837 1.00 22.40 C ATOM 2151 CD1 TYR A 141 -7.163 -13.157 -5.061 1.00 45.54 C ATOM 2152 CD2 TYR A 141 -7.133 -10.908 -4.276 1.00 74.33 C ATOM 2153 CE1 TYR A 141 -5.828 -13.289 -4.736 1.00 21.22 C ATOM 2154 CE2 TYR A 141 -5.806 -11.032 -3.952 1.00 0.13 C ATOM 2155 CZ TYR A 141 -5.153 -12.225 -4.182 1.00 11.30 C ATOM 2156 OH TYR A 141 -3.819 -12.350 -3.877 1.00 22.21 O ATOM 0 H TYR A 141 -9.474 -10.057 -7.037 1.00 23.54 H new ATOM 0 HA TYR A 141 -9.098 -12.947 -7.010 1.00 51.50 H new ATOM 0 HB2 TYR A 141 -9.674 -10.821 -4.913 1.00 54.12 H new ATOM 0 HB3 TYR A 141 -9.905 -12.515 -4.526 1.00 54.12 H new ATOM 0 HD1 TYR A 141 -7.688 -13.994 -5.496 1.00 45.54 H new ATOM 0 HD2 TYR A 141 -7.635 -9.970 -4.090 1.00 74.33 H new ATOM 0 HE1 TYR A 141 -5.316 -14.223 -4.916 1.00 21.22 H new ATOM 0 HE2 TYR A 141 -5.274 -10.198 -3.518 1.00 0.13 H new ATOM 0 HH TYR A 141 -3.649 -13.244 -3.513 1.00 22.21 H new ATOM 2166 N GLY A 142 -12.112 -11.655 -7.186 1.00 64.33 N ATOM 2167 CA GLY A 142 -13.533 -12.040 -7.301 1.00 63.23 C ATOM 2168 C GLY A 142 -14.493 -10.949 -7.787 1.00 12.24 C ATOM 2169 O GLY A 142 -15.500 -11.273 -8.430 1.00 11.34 O ATOM 0 H GLY A 142 -11.901 -10.692 -7.448 1.00 64.33 H new ATOM 0 HA2 GLY A 142 -13.604 -12.887 -7.983 1.00 63.23 H new ATOM 0 HA3 GLY A 142 -13.874 -12.386 -6.325 1.00 63.23 H new