USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 638 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 8 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.054) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -147:sc= 1.14 (180deg=0.118) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 142:sc= 0.599 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= 0.631 (180deg=0.244) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -127:sc= -0.0283 (180deg=-1.09) USER MOD Single : A 40 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 146:sc= 0.0851 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -173:sc= 1.22 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 4.677 1.017 10.989 1.00 74.04 N ATOM 57 CA GLY A 4 4.798 1.223 9.565 1.00 64.23 C ATOM 58 C GLY A 4 5.669 0.177 8.916 1.00 62.44 C ATOM 59 O GLY A 4 6.812 -0.031 9.324 1.00 1.13 O ATOM 0 HA2 GLY A 4 3.808 1.203 9.110 1.00 64.23 H new ATOM 0 HA3 GLY A 4 5.216 2.212 9.376 1.00 64.23 H new ATOM 63 N ILE A 5 5.131 -0.475 7.905 1.00 51.34 N ATOM 64 CA ILE A 5 5.820 -1.553 7.218 1.00 34.30 C ATOM 65 C ILE A 5 5.713 -1.356 5.713 1.00 71.30 C ATOM 66 O ILE A 5 5.106 -0.386 5.251 1.00 64.54 O ATOM 67 CB ILE A 5 5.226 -2.928 7.601 1.00 64.42 C ATOM 68 CG1 ILE A 5 3.709 -2.944 7.357 1.00 74.25 C ATOM 69 CG2 ILE A 5 5.547 -3.266 9.055 1.00 70.55 C ATOM 70 CD1 ILE A 5 3.049 -4.256 7.720 1.00 24.13 C ATOM 0 H ILE A 5 4.202 -0.273 7.535 1.00 51.34 H new ATOM 0 HA ILE A 5 6.867 -1.533 7.520 1.00 34.30 H new ATOM 0 HB ILE A 5 5.681 -3.690 6.969 1.00 64.42 H new ATOM 0 HG12 ILE A 5 3.248 -2.143 7.936 1.00 74.25 H new ATOM 0 HG13 ILE A 5 3.517 -2.729 6.306 1.00 74.25 H new ATOM 0 HG21 ILE A 5 5.120 -4.237 9.305 1.00 70.55 H new ATOM 0 HG22 ILE A 5 6.628 -3.298 9.191 1.00 70.55 H new ATOM 0 HG23 ILE A 5 5.122 -2.504 9.708 1.00 70.55 H new ATOM 0 HD11 ILE A 5 1.979 -4.192 7.521 1.00 24.13 H new ATOM 0 HD12 ILE A 5 3.482 -5.059 7.123 1.00 24.13 H new ATOM 0 HD13 ILE A 5 3.210 -4.464 8.778 1.00 24.13 H new ATOM 82 N GLY A 6 6.306 -2.261 4.951 1.00 33.41 N ATOM 83 CA GLY A 6 6.181 -2.197 3.514 1.00 11.10 C ATOM 84 C GLY A 6 4.784 -2.567 3.075 1.00 5.02 C ATOM 85 O GLY A 6 4.110 -3.343 3.749 1.00 40.12 O ATOM 0 H GLY A 6 6.869 -3.036 5.302 1.00 33.41 H new ATOM 0 HA2 GLY A 6 6.420 -1.191 3.169 1.00 11.10 H new ATOM 0 HA3 GLY A 6 6.902 -2.872 3.052 1.00 11.10 H new ATOM 89 N LEU A 7 4.347 -2.017 1.953 1.00 4.33 N ATOM 90 CA LEU A 7 3.000 -2.268 1.447 1.00 11.12 C ATOM 91 C LEU A 7 2.774 -3.768 1.249 1.00 35.32 C ATOM 92 O LEU A 7 1.675 -4.277 1.462 1.00 42.41 O ATOM 93 CB LEU A 7 2.794 -1.491 0.134 1.00 32.23 C ATOM 94 CG LEU A 7 1.350 -1.383 -0.382 1.00 30.33 C ATOM 95 CD1 LEU A 7 0.901 -2.672 -1.052 1.00 13.31 C ATOM 96 CD2 LEU A 7 0.407 -1.014 0.752 1.00 34.43 C ATOM 0 H LEU A 7 4.905 -1.392 1.372 1.00 4.33 H new ATOM 0 HA LEU A 7 2.267 -1.920 2.175 1.00 11.12 H new ATOM 0 HB2 LEU A 7 3.183 -0.482 0.270 1.00 32.23 H new ATOM 0 HB3 LEU A 7 3.398 -1.964 -0.640 1.00 32.23 H new ATOM 0 HG LEU A 7 1.322 -0.593 -1.132 1.00 30.33 H new ATOM 0 HD11 LEU A 7 -0.124 -2.561 -1.405 1.00 13.31 H new ATOM 0 HD12 LEU A 7 1.554 -2.889 -1.897 1.00 13.31 H new ATOM 0 HD13 LEU A 7 0.951 -3.491 -0.335 1.00 13.31 H new ATOM 0 HD21 LEU A 7 -0.611 -0.942 0.370 1.00 34.43 H new ATOM 0 HD22 LEU A 7 0.450 -1.781 1.525 1.00 34.43 H new ATOM 0 HD23 LEU A 7 0.705 -0.055 1.175 1.00 34.43 H new ATOM 108 N ASN A 8 3.832 -4.479 0.883 1.00 11.22 N ATOM 109 CA ASN A 8 3.733 -5.908 0.606 1.00 14.22 C ATOM 110 C ASN A 8 3.659 -6.732 1.894 1.00 71.33 C ATOM 111 O ASN A 8 3.370 -7.928 1.851 1.00 12.23 O ATOM 112 CB ASN A 8 4.920 -6.376 -0.247 1.00 14.11 C ATOM 113 CG ASN A 8 6.257 -6.242 0.462 1.00 62.34 C ATOM 114 OD1 ASN A 8 6.702 -7.157 1.149 1.00 4.41 O ATOM 115 ND2 ASN A 8 6.922 -5.107 0.282 1.00 2.43 N ATOM 0 H ASN A 8 4.769 -4.091 0.771 1.00 11.22 H new ATOM 0 HA ASN A 8 2.808 -6.067 0.051 1.00 14.22 H new ATOM 0 HB2 ASN A 8 4.768 -7.418 -0.528 1.00 14.11 H new ATOM 0 HB3 ASN A 8 4.946 -5.797 -1.170 1.00 14.11 H new ATOM 0 HD21 ASN A 8 7.833 -4.975 0.721 1.00 2.43 H new ATOM 0 HD22 ASN A 8 6.522 -4.368 -0.296 1.00 2.43 H new ATOM 122 N GLU A 9 3.902 -6.087 3.035 1.00 43.53 N ATOM 123 CA GLU A 9 3.912 -6.773 4.317 1.00 54.25 C ATOM 124 C GLU A 9 2.543 -6.699 4.986 1.00 64.23 C ATOM 125 O GLU A 9 2.291 -7.367 5.991 1.00 60.45 O ATOM 126 CB GLU A 9 4.957 -6.153 5.245 1.00 64.13 C ATOM 127 CG GLU A 9 6.386 -6.276 4.755 1.00 12.11 C ATOM 128 CD GLU A 9 7.385 -5.726 5.756 1.00 52.31 C ATOM 129 OE1 GLU A 9 7.624 -4.501 5.758 1.00 41.14 O ATOM 130 OE2 GLU A 9 7.935 -6.516 6.557 1.00 42.35 O ATOM 0 H GLU A 9 4.095 -5.087 3.092 1.00 43.53 H new ATOM 0 HA GLU A 9 4.161 -7.818 4.132 1.00 54.25 H new ATOM 0 HB2 GLU A 9 4.723 -5.097 5.381 1.00 64.13 H new ATOM 0 HB3 GLU A 9 4.880 -6.625 6.224 1.00 64.13 H new ATOM 0 HG2 GLU A 9 6.612 -7.324 4.558 1.00 12.11 H new ATOM 0 HG3 GLU A 9 6.491 -5.744 3.810 1.00 12.11 H new ATOM 137 N VAL A 10 1.664 -5.883 4.421 1.00 75.14 N ATOM 138 CA VAL A 10 0.337 -5.671 4.987 1.00 34.34 C ATOM 139 C VAL A 10 -0.581 -6.849 4.651 1.00 14.32 C ATOM 140 O VAL A 10 -0.316 -7.601 3.710 1.00 61.12 O ATOM 141 CB VAL A 10 -0.284 -4.356 4.462 1.00 15.55 C ATOM 142 CG1 VAL A 10 -1.548 -3.993 5.228 1.00 44.44 C ATOM 143 CG2 VAL A 10 0.725 -3.220 4.536 1.00 25.14 C ATOM 0 H VAL A 10 1.846 -5.355 3.568 1.00 75.14 H new ATOM 0 HA VAL A 10 0.441 -5.597 6.069 1.00 34.34 H new ATOM 0 HB VAL A 10 -0.558 -4.514 3.419 1.00 15.55 H new ATOM 0 HG11 VAL A 10 -1.958 -3.064 4.833 1.00 44.44 H new ATOM 0 HG12 VAL A 10 -2.283 -4.790 5.116 1.00 44.44 H new ATOM 0 HG13 VAL A 10 -1.309 -3.865 6.284 1.00 44.44 H new ATOM 0 HG21 VAL A 10 0.269 -2.303 4.162 1.00 25.14 H new ATOM 0 HG22 VAL A 10 1.035 -3.075 5.571 1.00 25.14 H new ATOM 0 HG23 VAL A 10 1.595 -3.466 3.928 1.00 25.14 H new ATOM 153 N GLU A 11 -1.648 -7.008 5.421 1.00 73.51 N ATOM 154 CA GLU A 11 -2.585 -8.106 5.222 1.00 4.24 C ATOM 155 C GLU A 11 -3.856 -7.597 4.534 1.00 13.44 C ATOM 156 O GLU A 11 -4.021 -6.394 4.331 1.00 33.54 O ATOM 157 CB GLU A 11 -2.913 -8.768 6.569 1.00 54.51 C ATOM 158 CG GLU A 11 -3.604 -10.121 6.452 1.00 15.14 C ATOM 159 CD GLU A 11 -3.800 -10.798 7.795 1.00 23.14 C ATOM 160 OE1 GLU A 11 -4.346 -10.158 8.714 1.00 13.02 O ATOM 161 OE2 GLU A 11 -3.429 -11.984 7.929 1.00 13.50 O ATOM 0 H GLU A 11 -1.888 -6.387 6.194 1.00 73.51 H new ATOM 0 HA GLU A 11 -2.127 -8.855 4.576 1.00 4.24 H new ATOM 0 HB2 GLU A 11 -1.989 -8.893 7.134 1.00 54.51 H new ATOM 0 HB3 GLU A 11 -3.550 -8.097 7.145 1.00 54.51 H new ATOM 0 HG2 GLU A 11 -4.574 -9.989 5.972 1.00 15.14 H new ATOM 0 HG3 GLU A 11 -3.014 -10.771 5.805 1.00 15.14 H new ATOM 168 N ILE A 12 -4.745 -8.518 4.180 1.00 64.23 N ATOM 169 CA ILE A 12 -5.944 -8.192 3.420 1.00 41.13 C ATOM 170 C ILE A 12 -6.983 -7.456 4.267 1.00 40.34 C ATOM 171 O ILE A 12 -7.020 -7.603 5.494 1.00 53.22 O ATOM 172 CB ILE A 12 -6.590 -9.462 2.827 1.00 4.10 C ATOM 173 CG1 ILE A 12 -6.995 -10.432 3.945 1.00 71.25 C ATOM 174 CG2 ILE A 12 -5.627 -10.135 1.858 1.00 70.14 C ATOM 175 CD1 ILE A 12 -7.727 -11.662 3.454 1.00 54.30 C ATOM 0 H ILE A 12 -4.655 -9.507 4.411 1.00 64.23 H new ATOM 0 HA ILE A 12 -5.623 -7.532 2.614 1.00 41.13 H new ATOM 0 HB ILE A 12 -7.490 -9.175 2.282 1.00 4.10 H new ATOM 0 HG12 ILE A 12 -6.100 -10.744 4.483 1.00 71.25 H new ATOM 0 HG13 ILE A 12 -7.628 -9.905 4.658 1.00 71.25 H new ATOM 0 HG21 ILE A 12 -6.092 -11.030 1.445 1.00 70.14 H new ATOM 0 HG22 ILE A 12 -5.384 -9.446 1.049 1.00 70.14 H new ATOM 0 HG23 ILE A 12 -4.714 -10.411 2.385 1.00 70.14 H new ATOM 0 HD11 ILE A 12 -7.979 -12.298 4.302 1.00 54.30 H new ATOM 0 HD12 ILE A 12 -8.641 -11.361 2.941 1.00 54.30 H new ATOM 0 HD13 ILE A 12 -7.089 -12.214 2.764 1.00 54.30 H new ATOM 187 N LYS A 13 -7.816 -6.666 3.585 1.00 32.30 N ATOM 188 CA LYS A 13 -8.909 -5.919 4.207 1.00 15.03 C ATOM 189 C LYS A 13 -8.434 -5.100 5.399 1.00 0.53 C ATOM 190 O LYS A 13 -9.020 -5.144 6.483 1.00 64.24 O ATOM 191 CB LYS A 13 -10.060 -6.850 4.599 1.00 70.12 C ATOM 192 CG LYS A 13 -10.743 -7.483 3.397 1.00 72.44 C ATOM 193 CD LYS A 13 -12.108 -8.051 3.751 1.00 62.41 C ATOM 194 CE LYS A 13 -12.009 -9.254 4.671 1.00 14.24 C ATOM 195 NZ LYS A 13 -13.353 -9.738 5.079 1.00 70.11 N ATOM 0 H LYS A 13 -7.749 -6.527 2.577 1.00 32.30 H new ATOM 0 HA LYS A 13 -9.282 -5.215 3.463 1.00 15.03 H new ATOM 0 HB2 LYS A 13 -9.679 -7.637 5.250 1.00 70.12 H new ATOM 0 HB3 LYS A 13 -10.796 -6.288 5.175 1.00 70.12 H new ATOM 0 HG2 LYS A 13 -10.854 -6.738 2.609 1.00 72.44 H new ATOM 0 HG3 LYS A 13 -10.112 -8.277 2.998 1.00 72.44 H new ATOM 0 HD2 LYS A 13 -12.708 -7.278 4.231 1.00 62.41 H new ATOM 0 HD3 LYS A 13 -12.629 -8.337 2.837 1.00 62.41 H new ATOM 0 HE2 LYS A 13 -11.470 -10.056 4.167 1.00 14.24 H new ATOM 0 HE3 LYS A 13 -11.432 -8.990 5.557 1.00 14.24 H new ATOM 0 HZ1 LYS A 13 -13.250 -10.561 5.707 1.00 70.11 H new ATOM 0 HZ2 LYS A 13 -13.857 -8.980 5.581 1.00 70.11 H new ATOM 0 HZ3 LYS A 13 -13.894 -10.013 4.234 1.00 70.11 H new ATOM 209 N SER A 14 -7.364 -4.356 5.182 1.00 73.52 N ATOM 210 CA SER A 14 -6.849 -3.435 6.174 1.00 2.05 C ATOM 211 C SER A 14 -6.538 -2.104 5.501 1.00 24.41 C ATOM 212 O SER A 14 -6.261 -2.062 4.304 1.00 72.41 O ATOM 213 CB SER A 14 -5.592 -4.008 6.826 1.00 3.01 C ATOM 214 OG SER A 14 -5.833 -5.314 7.326 1.00 34.01 O ATOM 0 H SER A 14 -6.830 -4.375 4.313 1.00 73.52 H new ATOM 0 HA SER A 14 -7.596 -3.282 6.953 1.00 2.05 H new ATOM 0 HB2 SER A 14 -4.781 -4.036 6.099 1.00 3.01 H new ATOM 0 HB3 SER A 14 -5.269 -3.357 7.638 1.00 3.01 H new ATOM 0 HG SER A 14 -5.015 -5.663 7.738 1.00 34.01 H new ATOM 220 N LYS A 15 -6.594 -1.018 6.251 1.00 51.22 N ATOM 221 CA LYS A 15 -6.321 0.284 5.675 1.00 22.41 C ATOM 222 C LYS A 15 -4.993 0.818 6.187 1.00 34.05 C ATOM 223 O LYS A 15 -4.647 0.636 7.357 1.00 5.14 O ATOM 224 CB LYS A 15 -7.451 1.269 5.976 1.00 4.12 C ATOM 225 CG LYS A 15 -7.515 2.404 4.969 1.00 63.52 C ATOM 226 CD LYS A 15 -8.727 3.292 5.175 1.00 74.54 C ATOM 227 CE LYS A 15 -8.965 4.173 3.958 1.00 35.32 C ATOM 228 NZ LYS A 15 -10.064 5.146 4.175 1.00 5.22 N ATOM 0 H LYS A 15 -6.822 -1.011 7.245 1.00 51.22 H new ATOM 0 HA LYS A 15 -6.258 0.171 4.593 1.00 22.41 H new ATOM 0 HB2 LYS A 15 -8.402 0.736 5.980 1.00 4.12 H new ATOM 0 HB3 LYS A 15 -7.313 1.681 6.975 1.00 4.12 H new ATOM 0 HG2 LYS A 15 -6.610 3.006 5.046 1.00 63.52 H new ATOM 0 HG3 LYS A 15 -7.538 1.991 3.961 1.00 63.52 H new ATOM 0 HD2 LYS A 15 -9.607 2.676 5.361 1.00 74.54 H new ATOM 0 HD3 LYS A 15 -8.581 3.915 6.057 1.00 74.54 H new ATOM 0 HE2 LYS A 15 -8.048 4.711 3.717 1.00 35.32 H new ATOM 0 HE3 LYS A 15 -9.202 3.546 3.099 1.00 35.32 H new ATOM 0 HZ1 LYS A 15 -10.563 5.312 3.278 1.00 5.22 H new ATOM 0 HZ2 LYS A 15 -10.731 4.766 4.876 1.00 5.22 H new ATOM 0 HZ3 LYS A 15 -9.670 6.043 4.523 1.00 5.22 H new ATOM 242 N VAL A 16 -4.249 1.455 5.300 1.00 50.21 N ATOM 243 CA VAL A 16 -2.937 1.987 5.624 1.00 61.11 C ATOM 244 C VAL A 16 -2.800 3.418 5.127 1.00 2.50 C ATOM 245 O VAL A 16 -3.695 3.942 4.461 1.00 35.24 O ATOM 246 CB VAL A 16 -1.811 1.127 5.007 1.00 40.51 C ATOM 247 CG1 VAL A 16 -1.784 -0.259 5.632 1.00 52.12 C ATOM 248 CG2 VAL A 16 -1.970 1.029 3.494 1.00 34.13 C ATOM 0 H VAL A 16 -4.537 1.618 4.335 1.00 50.21 H new ATOM 0 HA VAL A 16 -2.840 1.966 6.709 1.00 61.11 H new ATOM 0 HB VAL A 16 -0.860 1.616 5.219 1.00 40.51 H new ATOM 0 HG11 VAL A 16 -0.983 -0.846 5.182 1.00 52.12 H new ATOM 0 HG12 VAL A 16 -1.610 -0.171 6.704 1.00 52.12 H new ATOM 0 HG13 VAL A 16 -2.739 -0.755 5.459 1.00 52.12 H new ATOM 0 HG21 VAL A 16 -1.166 0.419 3.082 1.00 34.13 H new ATOM 0 HG22 VAL A 16 -2.930 0.571 3.258 1.00 34.13 H new ATOM 0 HG23 VAL A 16 -1.927 2.027 3.058 1.00 34.13 H new ATOM 258 N LYS A 17 -1.685 4.041 5.458 1.00 55.13 N ATOM 259 CA LYS A 17 -1.404 5.397 5.019 1.00 71.10 C ATOM 260 C LYS A 17 0.019 5.500 4.505 1.00 13.34 C ATOM 261 O LYS A 17 0.946 4.943 5.093 1.00 43.45 O ATOM 262 CB LYS A 17 -1.615 6.383 6.162 1.00 20.32 C ATOM 263 CG LYS A 17 -1.208 7.809 5.833 1.00 41.53 C ATOM 264 CD LYS A 17 -1.451 8.744 7.005 1.00 31.12 C ATOM 265 CE LYS A 17 -0.873 10.123 6.736 1.00 72.01 C ATOM 266 NZ LYS A 17 -1.145 11.073 7.845 1.00 73.14 N ATOM 0 H LYS A 17 -0.953 3.626 6.034 1.00 55.13 H new ATOM 0 HA LYS A 17 -2.092 5.645 4.210 1.00 71.10 H new ATOM 0 HB2 LYS A 17 -2.667 6.373 6.447 1.00 20.32 H new ATOM 0 HB3 LYS A 17 -1.047 6.045 7.029 1.00 20.32 H new ATOM 0 HG2 LYS A 17 -0.153 7.833 5.560 1.00 41.53 H new ATOM 0 HG3 LYS A 17 -1.769 8.158 4.966 1.00 41.53 H new ATOM 0 HD2 LYS A 17 -2.522 8.826 7.193 1.00 31.12 H new ATOM 0 HD3 LYS A 17 -1.000 8.327 7.906 1.00 31.12 H new ATOM 0 HE2 LYS A 17 0.204 10.041 6.587 1.00 72.01 H new ATOM 0 HE3 LYS A 17 -1.294 10.517 5.811 1.00 72.01 H new ATOM 0 HZ1 LYS A 17 -0.732 12.000 7.617 1.00 73.14 H new ATOM 0 HZ2 LYS A 17 -2.172 11.173 7.972 1.00 73.14 H new ATOM 0 HZ3 LYS A 17 -0.721 10.712 8.723 1.00 73.14 H new ATOM 280 N VAL A 18 0.177 6.230 3.420 1.00 62.52 N ATOM 281 CA VAL A 18 1.475 6.382 2.777 1.00 40.34 C ATOM 282 C VAL A 18 2.348 7.334 3.574 1.00 23.03 C ATOM 283 O VAL A 18 2.264 8.553 3.423 1.00 4.42 O ATOM 284 CB VAL A 18 1.341 6.899 1.328 1.00 63.42 C ATOM 285 CG1 VAL A 18 2.693 6.916 0.629 1.00 72.34 C ATOM 286 CG2 VAL A 18 0.343 6.058 0.550 1.00 11.35 C ATOM 0 H VAL A 18 -0.581 6.733 2.959 1.00 62.52 H new ATOM 0 HA VAL A 18 1.938 5.396 2.744 1.00 40.34 H new ATOM 0 HB VAL A 18 0.970 7.923 1.367 1.00 63.42 H new ATOM 0 HG11 VAL A 18 2.571 7.284 -0.390 1.00 72.34 H new ATOM 0 HG12 VAL A 18 3.375 7.570 1.172 1.00 72.34 H new ATOM 0 HG13 VAL A 18 3.102 5.906 0.603 1.00 72.34 H new ATOM 0 HG21 VAL A 18 0.263 6.438 -0.468 1.00 11.35 H new ATOM 0 HG22 VAL A 18 0.681 5.022 0.525 1.00 11.35 H new ATOM 0 HG23 VAL A 18 -0.632 6.110 1.034 1.00 11.35 H new ATOM 296 N ILE A 19 3.149 6.769 4.453 1.00 15.44 N ATOM 297 CA ILE A 19 4.045 7.550 5.285 1.00 62.13 C ATOM 298 C ILE A 19 5.308 7.930 4.531 1.00 43.50 C ATOM 299 O ILE A 19 5.623 9.112 4.391 1.00 73.41 O ATOM 300 CB ILE A 19 4.426 6.778 6.563 1.00 34.21 C ATOM 301 CG1 ILE A 19 3.171 6.473 7.379 1.00 2.11 C ATOM 302 CG2 ILE A 19 5.431 7.567 7.396 1.00 31.34 C ATOM 303 CD1 ILE A 19 2.448 7.713 7.862 1.00 61.42 C ATOM 0 H ILE A 19 3.199 5.763 4.612 1.00 15.44 H new ATOM 0 HA ILE A 19 3.513 8.460 5.562 1.00 62.13 H new ATOM 0 HB ILE A 19 4.897 5.838 6.275 1.00 34.21 H new ATOM 0 HG12 ILE A 19 2.489 5.877 6.772 1.00 2.11 H new ATOM 0 HG13 ILE A 19 3.446 5.864 8.240 1.00 2.11 H new ATOM 0 HG21 ILE A 19 5.684 7.001 8.293 1.00 31.34 H new ATOM 0 HG22 ILE A 19 6.333 7.740 6.809 1.00 31.34 H new ATOM 0 HG23 ILE A 19 4.995 8.524 7.682 1.00 31.34 H new ATOM 0 HD11 ILE A 19 1.567 7.421 8.434 1.00 61.42 H new ATOM 0 HD12 ILE A 19 3.114 8.299 8.495 1.00 61.42 H new ATOM 0 HD13 ILE A 19 2.142 8.313 7.005 1.00 61.42 H new ATOM 315 N GLY A 20 6.014 6.930 4.026 1.00 4.00 N ATOM 316 CA GLY A 20 7.282 7.186 3.387 1.00 24.51 C ATOM 317 C GLY A 20 7.404 6.524 2.042 1.00 42.43 C ATOM 318 O GLY A 20 6.707 5.553 1.739 1.00 5.35 O ATOM 0 H GLY A 20 5.731 5.950 4.048 1.00 4.00 H new ATOM 0 HA2 GLY A 20 7.414 8.262 3.270 1.00 24.51 H new ATOM 0 HA3 GLY A 20 8.086 6.835 4.033 1.00 24.51 H new ATOM 322 N ILE A 21 8.308 7.052 1.250 1.00 2.31 N ATOM 323 CA ILE A 21 8.565 6.559 -0.085 1.00 15.33 C ATOM 324 C ILE A 21 10.057 6.284 -0.227 1.00 61.42 C ATOM 325 O ILE A 21 10.862 6.837 0.526 1.00 73.52 O ATOM 326 CB ILE A 21 8.091 7.588 -1.142 1.00 54.12 C ATOM 327 CG1 ILE A 21 6.577 7.810 -1.022 1.00 52.41 C ATOM 328 CG2 ILE A 21 8.450 7.145 -2.559 1.00 23.01 C ATOM 329 CD1 ILE A 21 6.027 8.819 -2.006 1.00 34.54 C ATOM 0 H ILE A 21 8.892 7.844 1.516 1.00 2.31 H new ATOM 0 HA ILE A 21 8.010 5.636 -0.250 1.00 15.33 H new ATOM 0 HB ILE A 21 8.608 8.528 -0.948 1.00 54.12 H new ATOM 0 HG12 ILE A 21 6.067 6.858 -1.169 1.00 52.41 H new ATOM 0 HG13 ILE A 21 6.347 8.142 -0.009 1.00 52.41 H new ATOM 0 HG21 ILE A 21 8.102 7.892 -3.273 1.00 23.01 H new ATOM 0 HG22 ILE A 21 9.531 7.039 -2.644 1.00 23.01 H new ATOM 0 HG23 ILE A 21 7.973 6.188 -2.773 1.00 23.01 H new ATOM 0 HD11 ILE A 21 4.952 8.921 -1.860 1.00 34.54 H new ATOM 0 HD12 ILE A 21 6.508 9.784 -1.845 1.00 34.54 H new ATOM 0 HD13 ILE A 21 6.224 8.480 -3.023 1.00 34.54 H new ATOM 341 N VAL A 22 10.416 5.409 -1.152 1.00 62.31 N ATOM 342 CA VAL A 22 11.813 5.083 -1.416 1.00 4.24 C ATOM 343 C VAL A 22 12.290 5.781 -2.692 1.00 4.31 C ATOM 344 O VAL A 22 12.122 5.260 -3.795 1.00 31.14 O ATOM 345 CB VAL A 22 12.032 3.559 -1.536 1.00 74.25 C ATOM 346 CG1 VAL A 22 13.505 3.237 -1.745 1.00 44.31 C ATOM 347 CG2 VAL A 22 11.505 2.850 -0.299 1.00 12.34 C ATOM 0 H VAL A 22 9.752 4.905 -1.740 1.00 62.31 H new ATOM 0 HA VAL A 22 12.398 5.440 -0.568 1.00 4.24 H new ATOM 0 HB VAL A 22 11.480 3.203 -2.406 1.00 74.25 H new ATOM 0 HG11 VAL A 22 13.633 2.158 -1.827 1.00 44.31 H new ATOM 0 HG12 VAL A 22 13.855 3.714 -2.660 1.00 44.31 H new ATOM 0 HG13 VAL A 22 14.082 3.608 -0.898 1.00 44.31 H new ATOM 0 HG21 VAL A 22 11.666 1.777 -0.398 1.00 12.34 H new ATOM 0 HG22 VAL A 22 12.032 3.216 0.582 1.00 12.34 H new ATOM 0 HG23 VAL A 22 10.438 3.048 -0.193 1.00 12.34 H new ATOM 357 N PRO A 23 12.830 7.010 -2.556 1.00 41.42 N ATOM 358 CA PRO A 23 13.279 7.820 -3.695 1.00 62.32 C ATOM 359 C PRO A 23 14.393 7.143 -4.488 1.00 63.11 C ATOM 360 O PRO A 23 14.935 6.115 -4.067 1.00 32.24 O ATOM 361 CB PRO A 23 13.801 9.112 -3.047 1.00 31.41 C ATOM 362 CG PRO A 23 13.201 9.133 -1.686 1.00 53.40 C ATOM 363 CD PRO A 23 13.080 7.695 -1.279 1.00 45.01 C ATOM 0 HA PRO A 23 12.473 7.983 -4.410 1.00 62.32 H new ATOM 0 HB2 PRO A 23 14.890 9.116 -2.998 1.00 31.41 H new ATOM 0 HB3 PRO A 23 13.504 9.989 -3.622 1.00 31.41 H new ATOM 0 HG2 PRO A 23 13.830 9.687 -0.989 1.00 53.40 H new ATOM 0 HG3 PRO A 23 12.227 9.622 -1.694 1.00 53.40 H new ATOM 0 HD2 PRO A 23 13.989 7.334 -0.798 1.00 45.01 H new ATOM 0 HD3 PRO A 23 12.264 7.543 -0.573 1.00 45.01 H new ATOM 371 N GLU A 24 14.732 7.733 -5.636 1.00 23.30 N ATOM 372 CA GLU A 24 15.751 7.203 -6.528 1.00 63.33 C ATOM 373 C GLU A 24 15.339 5.843 -7.082 1.00 3.04 C ATOM 374 O GLU A 24 16.174 5.063 -7.536 1.00 32.43 O ATOM 375 CB GLU A 24 17.090 7.105 -5.808 1.00 10.23 C ATOM 376 CG GLU A 24 17.600 8.440 -5.296 1.00 12.04 C ATOM 377 CD GLU A 24 18.842 8.305 -4.444 1.00 32.41 C ATOM 378 OE1 GLU A 24 19.903 7.931 -4.985 1.00 2.33 O ATOM 379 OE2 GLU A 24 18.760 8.562 -3.224 1.00 1.14 O ATOM 0 H GLU A 24 14.302 8.596 -5.970 1.00 23.30 H new ATOM 0 HA GLU A 24 15.858 7.890 -7.367 1.00 63.33 H new ATOM 0 HB2 GLU A 24 16.993 6.416 -4.969 1.00 10.23 H new ATOM 0 HB3 GLU A 24 17.829 6.679 -6.487 1.00 10.23 H new ATOM 0 HG2 GLU A 24 17.815 9.091 -6.143 1.00 12.04 H new ATOM 0 HG3 GLU A 24 16.816 8.924 -4.713 1.00 12.04 H new ATOM 386 N SER A 25 14.044 5.574 -7.050 1.00 70.34 N ATOM 387 CA SER A 25 13.504 4.343 -7.594 1.00 62.00 C ATOM 388 C SER A 25 13.184 4.531 -9.066 1.00 10.33 C ATOM 389 O SER A 25 12.904 5.651 -9.510 1.00 54.33 O ATOM 390 CB SER A 25 12.229 3.951 -6.846 1.00 54.31 C ATOM 391 OG SER A 25 11.760 2.680 -7.253 1.00 61.13 O ATOM 0 H SER A 25 13.344 6.198 -6.649 1.00 70.34 H new ATOM 0 HA SER A 25 14.246 3.553 -7.478 1.00 62.00 H new ATOM 0 HB2 SER A 25 12.423 3.942 -5.773 1.00 54.31 H new ATOM 0 HB3 SER A 25 11.457 4.699 -7.024 1.00 54.31 H new ATOM 0 HG SER A 25 11.412 2.195 -6.476 1.00 61.13 H new ATOM 397 N LYS A 26 13.210 3.445 -9.822 1.00 73.22 N ATOM 398 CA LYS A 26 12.830 3.502 -11.222 1.00 42.10 C ATOM 399 C LYS A 26 11.354 3.162 -11.377 1.00 63.41 C ATOM 400 O LYS A 26 10.809 3.203 -12.478 1.00 32.31 O ATOM 401 CB LYS A 26 13.694 2.570 -12.077 1.00 53.41 C ATOM 402 CG LYS A 26 13.531 1.093 -11.769 1.00 31.01 C ATOM 403 CD LYS A 26 14.333 0.250 -12.743 1.00 62.44 C ATOM 404 CE LYS A 26 14.148 -1.235 -12.492 1.00 12.44 C ATOM 405 NZ LYS A 26 14.837 -2.050 -13.522 1.00 24.33 N ATOM 0 H LYS A 26 13.488 2.521 -9.492 1.00 73.22 H new ATOM 0 HA LYS A 26 12.998 4.519 -11.577 1.00 42.10 H new ATOM 0 HB2 LYS A 26 13.454 2.737 -13.127 1.00 53.41 H new ATOM 0 HB3 LYS A 26 14.741 2.842 -11.942 1.00 53.41 H new ATOM 0 HG2 LYS A 26 13.859 0.891 -10.749 1.00 31.01 H new ATOM 0 HG3 LYS A 26 12.478 0.819 -11.825 1.00 31.01 H new ATOM 0 HD2 LYS A 26 14.030 0.486 -13.763 1.00 62.44 H new ATOM 0 HD3 LYS A 26 15.390 0.504 -12.658 1.00 62.44 H new ATOM 0 HE2 LYS A 26 14.536 -1.490 -11.506 1.00 12.44 H new ATOM 0 HE3 LYS A 26 13.085 -1.475 -12.488 1.00 12.44 H new ATOM 0 HZ1 LYS A 26 14.691 -3.060 -13.321 1.00 24.33 H new ATOM 0 HZ2 LYS A 26 14.449 -1.824 -14.460 1.00 24.33 H new ATOM 0 HZ3 LYS A 26 15.855 -1.838 -13.508 1.00 24.33 H new ATOM 419 N VAL A 27 10.710 2.821 -10.262 1.00 15.42 N ATOM 420 CA VAL A 27 9.273 2.594 -10.258 1.00 71.20 C ATOM 421 C VAL A 27 8.565 3.660 -9.427 1.00 4.35 C ATOM 422 O VAL A 27 7.338 3.668 -9.331 1.00 2.51 O ATOM 423 CB VAL A 27 8.895 1.191 -9.728 1.00 0.32 C ATOM 424 CG1 VAL A 27 9.527 0.107 -10.586 1.00 73.21 C ATOM 425 CG2 VAL A 27 9.299 1.026 -8.271 1.00 13.05 C ATOM 0 H VAL A 27 11.161 2.697 -9.356 1.00 15.42 H new ATOM 0 HA VAL A 27 8.945 2.656 -11.296 1.00 71.20 H new ATOM 0 HB VAL A 27 7.811 1.091 -9.788 1.00 0.32 H new ATOM 0 HG11 VAL A 27 9.249 -0.873 -10.197 1.00 73.21 H new ATOM 0 HG12 VAL A 27 9.174 0.203 -11.613 1.00 73.21 H new ATOM 0 HG13 VAL A 27 10.612 0.212 -10.564 1.00 73.21 H new ATOM 0 HG21 VAL A 27 9.020 0.030 -7.927 1.00 13.05 H new ATOM 0 HG22 VAL A 27 10.377 1.154 -8.176 1.00 13.05 H new ATOM 0 HG23 VAL A 27 8.789 1.775 -7.665 1.00 13.05 H new ATOM 435 N ARG A 28 9.344 4.559 -8.821 1.00 65.44 N ATOM 436 CA ARG A 28 8.777 5.682 -8.076 1.00 73.33 C ATOM 437 C ARG A 28 7.803 6.466 -8.958 1.00 22.34 C ATOM 438 O ARG A 28 6.727 6.862 -8.514 1.00 43.00 O ATOM 439 CB ARG A 28 9.879 6.623 -7.586 1.00 31.03 C ATOM 440 CG ARG A 28 9.430 7.550 -6.466 1.00 24.43 C ATOM 441 CD ARG A 28 10.128 8.897 -6.538 1.00 62.13 C ATOM 442 NE ARG A 28 9.516 9.772 -7.542 1.00 20.11 N ATOM 443 CZ ARG A 28 10.192 10.641 -8.296 1.00 55.42 C ATOM 444 NH1 ARG A 28 11.511 10.729 -8.200 1.00 62.44 N ATOM 445 NH2 ARG A 28 9.541 11.426 -9.144 1.00 11.31 N ATOM 0 H ARG A 28 10.364 4.531 -8.832 1.00 65.44 H new ATOM 0 HA ARG A 28 8.246 5.277 -7.214 1.00 73.33 H new ATOM 0 HB2 ARG A 28 10.725 6.030 -7.239 1.00 31.03 H new ATOM 0 HB3 ARG A 28 10.233 7.223 -8.424 1.00 31.03 H new ATOM 0 HG2 ARG A 28 8.351 7.695 -6.524 1.00 24.43 H new ATOM 0 HG3 ARG A 28 9.637 7.084 -5.503 1.00 24.43 H new ATOM 0 HD2 ARG A 28 10.088 9.380 -5.562 1.00 62.13 H new ATOM 0 HD3 ARG A 28 11.181 8.749 -6.778 1.00 62.13 H new ATOM 0 HE ARG A 28 8.506 9.713 -7.673 1.00 20.11 H new ATOM 0 HH11 ARG A 28 12.016 10.130 -7.547 1.00 62.44 H new ATOM 0 HH12 ARG A 28 12.021 11.396 -8.780 1.00 62.44 H new ATOM 0 HH21 ARG A 28 8.526 11.365 -9.219 1.00 11.31 H new ATOM 0 HH22 ARG A 28 10.056 12.091 -9.721 1.00 11.31 H new ATOM 459 N ARG A 29 8.195 6.680 -10.213 1.00 5.55 N ATOM 460 CA ARG A 29 7.364 7.393 -11.177 1.00 64.44 C ATOM 461 C ARG A 29 6.059 6.645 -11.431 1.00 34.23 C ATOM 462 O ARG A 29 5.008 7.256 -11.559 1.00 10.03 O ATOM 463 CB ARG A 29 8.127 7.585 -12.489 1.00 35.10 C ATOM 464 CG ARG A 29 7.342 8.333 -13.550 1.00 61.45 C ATOM 465 CD ARG A 29 8.155 8.508 -14.819 1.00 3.53 C ATOM 466 NE ARG A 29 7.391 9.163 -15.876 1.00 43.35 N ATOM 467 CZ ARG A 29 7.918 9.563 -17.030 1.00 61.34 C ATOM 468 NH1 ARG A 29 9.216 9.416 -17.253 1.00 41.01 N ATOM 469 NH2 ARG A 29 7.149 10.111 -17.963 1.00 4.23 N ATOM 0 H ARG A 29 9.091 6.366 -10.586 1.00 5.55 H new ATOM 0 HA ARG A 29 7.120 8.371 -10.761 1.00 64.44 H new ATOM 0 HB2 ARG A 29 9.051 8.126 -12.285 1.00 35.10 H new ATOM 0 HB3 ARG A 29 8.409 6.608 -12.881 1.00 35.10 H new ATOM 0 HG2 ARG A 29 6.424 7.790 -13.776 1.00 61.45 H new ATOM 0 HG3 ARG A 29 7.048 9.310 -13.166 1.00 61.45 H new ATOM 0 HD2 ARG A 29 9.046 9.096 -14.599 1.00 3.53 H new ATOM 0 HD3 ARG A 29 8.494 7.533 -15.169 1.00 3.53 H new ATOM 0 HE ARG A 29 6.396 9.323 -15.721 1.00 43.35 H new ATOM 0 HH11 ARG A 29 9.812 8.996 -16.540 1.00 41.01 H new ATOM 0 HH12 ARG A 29 9.619 9.723 -18.138 1.00 41.01 H new ATOM 0 HH21 ARG A 29 6.149 10.227 -17.797 1.00 4.23 H new ATOM 0 HH22 ARG A 29 7.558 10.416 -18.846 1.00 4.23 H new ATOM 483 N LYS A 30 6.147 5.325 -11.491 1.00 12.03 N ATOM 484 CA LYS A 30 4.974 4.467 -11.660 1.00 62.05 C ATOM 485 C LYS A 30 3.946 4.751 -10.567 1.00 20.30 C ATOM 486 O LYS A 30 2.782 5.045 -10.844 1.00 4.34 O ATOM 487 CB LYS A 30 5.416 3.004 -11.588 1.00 12.13 C ATOM 488 CG LYS A 30 4.285 1.989 -11.592 1.00 71.13 C ATOM 489 CD LYS A 30 3.731 1.752 -12.983 1.00 11.02 C ATOM 490 CE LYS A 30 2.895 0.482 -13.025 1.00 13.11 C ATOM 491 NZ LYS A 30 3.700 -0.723 -12.675 1.00 22.43 N ATOM 0 H LYS A 30 7.028 4.815 -11.425 1.00 12.03 H new ATOM 0 HA LYS A 30 4.514 4.669 -12.627 1.00 62.05 H new ATOM 0 HB2 LYS A 30 6.073 2.797 -12.433 1.00 12.13 H new ATOM 0 HB3 LYS A 30 6.007 2.863 -10.683 1.00 12.13 H new ATOM 0 HG2 LYS A 30 4.645 1.046 -11.181 1.00 71.13 H new ATOM 0 HG3 LYS A 30 3.485 2.337 -10.939 1.00 71.13 H new ATOM 0 HD2 LYS A 30 3.122 2.603 -13.286 1.00 11.02 H new ATOM 0 HD3 LYS A 30 4.551 1.676 -13.697 1.00 11.02 H new ATOM 0 HE2 LYS A 30 2.059 0.574 -12.332 1.00 13.11 H new ATOM 0 HE3 LYS A 30 2.471 0.359 -14.022 1.00 13.11 H new ATOM 0 HZ1 LYS A 30 3.175 -1.580 -12.940 1.00 22.43 H new ATOM 0 HZ2 LYS A 30 4.604 -0.698 -13.189 1.00 22.43 H new ATOM 0 HZ3 LYS A 30 3.884 -0.732 -11.651 1.00 22.43 H new ATOM 505 N ILE A 31 4.408 4.670 -9.327 1.00 22.53 N ATOM 506 CA ILE A 31 3.572 4.914 -8.156 1.00 33.24 C ATOM 507 C ILE A 31 3.058 6.354 -8.142 1.00 74.52 C ATOM 508 O ILE A 31 1.894 6.614 -7.826 1.00 12.53 O ATOM 509 CB ILE A 31 4.379 4.634 -6.870 1.00 41.31 C ATOM 510 CG1 ILE A 31 4.945 3.210 -6.908 1.00 63.30 C ATOM 511 CG2 ILE A 31 3.516 4.838 -5.635 1.00 11.01 C ATOM 512 CD1 ILE A 31 5.941 2.915 -5.806 1.00 41.34 C ATOM 0 H ILE A 31 5.374 4.433 -9.102 1.00 22.53 H new ATOM 0 HA ILE A 31 2.714 4.244 -8.201 1.00 33.24 H new ATOM 0 HB ILE A 31 5.208 5.339 -6.818 1.00 41.31 H new ATOM 0 HG12 ILE A 31 4.121 2.500 -6.839 1.00 63.30 H new ATOM 0 HG13 ILE A 31 5.426 3.047 -7.872 1.00 63.30 H new ATOM 0 HG21 ILE A 31 4.106 4.635 -4.741 1.00 11.01 H new ATOM 0 HG22 ILE A 31 3.158 5.867 -5.607 1.00 11.01 H new ATOM 0 HG23 ILE A 31 2.665 4.158 -5.670 1.00 11.01 H new ATOM 0 HD11 ILE A 31 6.295 1.889 -5.901 1.00 41.34 H new ATOM 0 HD12 ILE A 31 6.786 3.599 -5.886 1.00 41.34 H new ATOM 0 HD13 ILE A 31 5.460 3.044 -4.837 1.00 41.34 H new ATOM 524 N MET A 32 3.930 7.285 -8.502 1.00 11.24 N ATOM 525 CA MET A 32 3.577 8.699 -8.554 1.00 63.23 C ATOM 526 C MET A 32 2.569 8.971 -9.671 1.00 75.44 C ATOM 527 O MET A 32 1.719 9.852 -9.553 1.00 31.11 O ATOM 528 CB MET A 32 4.834 9.544 -8.768 1.00 32.43 C ATOM 529 CG MET A 32 4.885 10.798 -7.913 1.00 10.25 C ATOM 530 SD MET A 32 6.437 11.699 -8.109 1.00 2.00 S ATOM 531 CE MET A 32 6.132 13.121 -7.065 1.00 75.53 C ATOM 0 H MET A 32 4.895 7.085 -8.765 1.00 11.24 H new ATOM 0 HA MET A 32 3.117 8.971 -7.604 1.00 63.23 H new ATOM 0 HB2 MET A 32 5.711 8.934 -8.553 1.00 32.43 H new ATOM 0 HB3 MET A 32 4.894 9.829 -9.818 1.00 32.43 H new ATOM 0 HG2 MET A 32 4.053 11.450 -8.179 1.00 10.25 H new ATOM 0 HG3 MET A 32 4.755 10.526 -6.865 1.00 10.25 H new ATOM 0 HE1 MET A 32 7.002 13.777 -7.080 1.00 75.53 H new ATOM 0 HE2 MET A 32 5.262 13.664 -7.435 1.00 75.53 H new ATOM 0 HE3 MET A 32 5.946 12.789 -6.044 1.00 75.53 H new ATOM 541 N ASP A 33 2.671 8.203 -10.749 1.00 43.33 N ATOM 542 CA ASP A 33 1.770 8.346 -11.888 1.00 13.23 C ATOM 543 C ASP A 33 0.394 7.801 -11.538 1.00 63.31 C ATOM 544 O ASP A 33 -0.616 8.215 -12.102 1.00 73.15 O ATOM 545 CB ASP A 33 2.329 7.615 -13.112 1.00 71.14 C ATOM 546 CG ASP A 33 1.609 7.984 -14.391 1.00 32.01 C ATOM 547 OD1 ASP A 33 1.927 9.047 -14.970 1.00 42.02 O ATOM 548 OD2 ASP A 33 0.720 7.222 -14.828 1.00 50.23 O ATOM 0 H ASP A 33 3.372 7.471 -10.859 1.00 43.33 H new ATOM 0 HA ASP A 33 1.682 9.406 -12.128 1.00 13.23 H new ATOM 0 HB2 ASP A 33 3.389 7.847 -13.216 1.00 71.14 H new ATOM 0 HB3 ASP A 33 2.253 6.539 -12.954 1.00 71.14 H new ATOM 553 N MET A 34 0.363 6.864 -10.600 1.00 11.52 N ATOM 554 CA MET A 34 -0.894 6.347 -10.077 1.00 22.42 C ATOM 555 C MET A 34 -1.601 7.418 -9.254 1.00 12.23 C ATOM 556 O MET A 34 -2.830 7.446 -9.156 1.00 61.45 O ATOM 557 CB MET A 34 -0.647 5.101 -9.222 1.00 45.50 C ATOM 558 CG MET A 34 -0.261 3.871 -10.026 1.00 3.41 C ATOM 559 SD MET A 34 -0.035 2.415 -8.985 1.00 43.02 S ATOM 560 CE MET A 34 0.288 1.162 -10.224 1.00 43.11 C ATOM 0 H MET A 34 1.196 6.446 -10.185 1.00 11.52 H new ATOM 0 HA MET A 34 -1.531 6.070 -10.917 1.00 22.42 H new ATOM 0 HB2 MET A 34 0.144 5.316 -8.503 1.00 45.50 H new ATOM 0 HB3 MET A 34 -1.548 4.881 -8.649 1.00 45.50 H new ATOM 0 HG2 MET A 34 -1.033 3.668 -10.768 1.00 3.41 H new ATOM 0 HG3 MET A 34 0.661 4.071 -10.572 1.00 3.41 H new ATOM 0 HE1 MET A 34 -0.392 0.323 -10.079 1.00 43.11 H new ATOM 0 HE2 MET A 34 0.136 1.585 -11.217 1.00 43.11 H new ATOM 0 HE3 MET A 34 1.317 0.815 -10.131 1.00 43.11 H new ATOM 570 N GLY A 35 -0.812 8.317 -8.684 1.00 35.12 N ATOM 571 CA GLY A 35 -1.363 9.402 -7.903 1.00 54.51 C ATOM 572 C GLY A 35 -1.175 9.188 -6.421 1.00 12.43 C ATOM 573 O GLY A 35 -1.857 9.806 -5.599 1.00 43.42 O ATOM 0 H GLY A 35 0.206 8.313 -8.750 1.00 35.12 H new ATOM 0 HA2 GLY A 35 -0.887 10.338 -8.197 1.00 54.51 H new ATOM 0 HA3 GLY A 35 -2.426 9.502 -8.122 1.00 54.51 H new ATOM 577 N ILE A 36 -0.246 8.312 -6.075 1.00 53.10 N ATOM 578 CA ILE A 36 0.039 8.020 -4.682 1.00 34.22 C ATOM 579 C ILE A 36 1.096 8.972 -4.155 1.00 1.04 C ATOM 580 O ILE A 36 2.190 9.081 -4.711 1.00 41.44 O ATOM 581 CB ILE A 36 0.529 6.575 -4.494 1.00 13.33 C ATOM 582 CG1 ILE A 36 -0.420 5.604 -5.194 1.00 54.52 C ATOM 583 CG2 ILE A 36 0.642 6.238 -3.013 1.00 35.33 C ATOM 584 CD1 ILE A 36 0.078 4.175 -5.227 1.00 35.14 C ATOM 0 H ILE A 36 0.324 7.791 -6.741 1.00 53.10 H new ATOM 0 HA ILE A 36 -0.890 8.146 -4.126 1.00 34.22 H new ATOM 0 HB ILE A 36 1.518 6.480 -4.942 1.00 13.33 H new ATOM 0 HG12 ILE A 36 -1.387 5.630 -4.691 1.00 54.52 H new ATOM 0 HG13 ILE A 36 -0.584 5.945 -6.216 1.00 54.52 H new ATOM 0 HG21 ILE A 36 0.990 5.211 -2.899 1.00 35.33 H new ATOM 0 HG22 ILE A 36 1.351 6.916 -2.539 1.00 35.33 H new ATOM 0 HG23 ILE A 36 -0.334 6.345 -2.540 1.00 35.33 H new ATOM 0 HD11 ILE A 36 -0.651 3.547 -5.740 1.00 35.14 H new ATOM 0 HD12 ILE A 36 1.030 4.133 -5.757 1.00 35.14 H new ATOM 0 HD13 ILE A 36 0.214 3.814 -4.208 1.00 35.14 H new ATOM 596 N VAL A 37 0.754 9.657 -3.084 1.00 74.44 N ATOM 597 CA VAL A 37 1.647 10.629 -2.469 1.00 23.33 C ATOM 598 C VAL A 37 1.662 10.420 -0.960 1.00 43.33 C ATOM 599 O VAL A 37 0.751 9.798 -0.403 1.00 61.00 O ATOM 600 CB VAL A 37 1.219 12.089 -2.772 1.00 40.11 C ATOM 601 CG1 VAL A 37 2.354 13.066 -2.493 1.00 41.34 C ATOM 602 CG2 VAL A 37 0.730 12.240 -4.205 1.00 75.13 C ATOM 0 H VAL A 37 -0.146 9.560 -2.613 1.00 74.44 H new ATOM 0 HA VAL A 37 2.640 10.475 -2.890 1.00 23.33 H new ATOM 0 HB VAL A 37 0.390 12.327 -2.105 1.00 40.11 H new ATOM 0 HG11 VAL A 37 2.023 14.081 -2.715 1.00 41.34 H new ATOM 0 HG12 VAL A 37 2.642 12.999 -1.444 1.00 41.34 H new ATOM 0 HG13 VAL A 37 3.210 12.818 -3.120 1.00 41.34 H new ATOM 0 HG21 VAL A 37 0.438 13.275 -4.383 1.00 75.13 H new ATOM 0 HG22 VAL A 37 1.529 11.965 -4.893 1.00 75.13 H new ATOM 0 HG23 VAL A 37 -0.128 11.588 -4.367 1.00 75.13 H new ATOM 612 N ARG A 38 2.683 10.940 -0.301 1.00 44.13 N ATOM 613 CA ARG A 38 2.801 10.823 1.144 1.00 33.41 C ATOM 614 C ARG A 38 1.659 11.562 1.826 1.00 44.43 C ATOM 615 O ARG A 38 1.475 12.759 1.619 1.00 31.22 O ATOM 616 CB ARG A 38 4.149 11.368 1.613 1.00 33.34 C ATOM 617 CG ARG A 38 5.323 10.523 1.156 1.00 13.52 C ATOM 618 CD ARG A 38 6.652 11.189 1.459 1.00 2.23 C ATOM 619 NE ARG A 38 6.891 11.316 2.893 1.00 41.52 N ATOM 620 CZ ARG A 38 8.069 11.632 3.423 1.00 23.31 C ATOM 621 NH1 ARG A 38 9.117 11.866 2.638 1.00 21.10 N ATOM 622 NH2 ARG A 38 8.194 11.724 4.737 1.00 20.03 N ATOM 0 H ARG A 38 3.446 11.450 -0.745 1.00 44.13 H new ATOM 0 HA ARG A 38 2.743 9.769 1.416 1.00 33.41 H new ATOM 0 HB2 ARG A 38 4.273 12.384 1.240 1.00 33.34 H new ATOM 0 HB3 ARG A 38 4.152 11.426 2.701 1.00 33.34 H new ATOM 0 HG2 ARG A 38 5.284 9.551 1.648 1.00 13.52 H new ATOM 0 HG3 ARG A 38 5.244 10.341 0.084 1.00 13.52 H new ATOM 0 HD2 ARG A 38 7.458 10.610 1.008 1.00 2.23 H new ATOM 0 HD3 ARG A 38 6.674 12.177 1.000 1.00 2.23 H new ATOM 0 HE ARG A 38 6.108 11.153 3.526 1.00 41.52 H new ATOM 0 HH11 ARG A 38 9.019 11.803 1.625 1.00 21.10 H new ATOM 0 HH12 ARG A 38 10.018 12.108 3.049 1.00 21.10 H new ATOM 0 HH21 ARG A 38 7.389 11.553 5.339 1.00 20.03 H new ATOM 0 HH22 ARG A 38 9.096 11.966 5.148 1.00 20.03 H new ATOM 636 N GLY A 39 0.891 10.834 2.619 1.00 52.54 N ATOM 637 CA GLY A 39 -0.269 11.409 3.259 1.00 13.31 C ATOM 638 C GLY A 39 -1.552 10.747 2.804 1.00 74.32 C ATOM 639 O GLY A 39 -2.573 10.820 3.492 1.00 61.43 O ATOM 0 H GLY A 39 1.052 9.849 2.831 1.00 52.54 H new ATOM 0 HA2 GLY A 39 -0.173 11.310 4.340 1.00 13.31 H new ATOM 0 HA3 GLY A 39 -0.313 12.476 3.039 1.00 13.31 H new ATOM 643 N THR A 40 -1.498 10.089 1.652 1.00 55.34 N ATOM 644 CA THR A 40 -2.667 9.409 1.110 1.00 30.15 C ATOM 645 C THR A 40 -2.962 8.147 1.914 1.00 72.40 C ATOM 646 O THR A 40 -2.046 7.512 2.440 1.00 42.44 O ATOM 647 CB THR A 40 -2.457 9.015 -0.366 1.00 44.42 C ATOM 648 OG1 THR A 40 -1.865 10.104 -1.090 1.00 14.22 O ATOM 649 CG2 THR A 40 -3.774 8.632 -1.027 1.00 71.24 C ATOM 0 H THR A 40 -0.659 10.012 1.077 1.00 55.34 H new ATOM 0 HA THR A 40 -3.505 10.102 1.175 1.00 30.15 H new ATOM 0 HB THR A 40 -1.791 8.152 -0.387 1.00 44.42 H new ATOM 0 HG1 THR A 40 -0.906 10.146 -0.892 1.00 14.22 H new ATOM 0 HG21 THR A 40 -3.593 8.359 -2.067 1.00 71.24 H new ATOM 0 HG22 THR A 40 -4.212 7.784 -0.500 1.00 71.24 H new ATOM 0 HG23 THR A 40 -4.460 9.478 -0.988 1.00 71.24 H new ATOM 657 N GLU A 41 -4.231 7.797 2.016 1.00 53.53 N ATOM 658 CA GLU A 41 -4.637 6.592 2.701 1.00 2.41 C ATOM 659 C GLU A 41 -5.057 5.538 1.685 1.00 15.30 C ATOM 660 O GLU A 41 -5.618 5.861 0.636 1.00 3.33 O ATOM 661 CB GLU A 41 -5.772 6.900 3.676 1.00 5.34 C ATOM 662 CG GLU A 41 -7.002 7.509 3.025 1.00 52.41 C ATOM 663 CD GLU A 41 -8.012 7.996 4.041 1.00 45.30 C ATOM 664 OE1 GLU A 41 -8.543 7.169 4.809 1.00 32.13 O ATOM 665 OE2 GLU A 41 -8.292 9.212 4.067 1.00 12.10 O ATOM 0 H GLU A 41 -5.003 8.339 1.627 1.00 53.53 H new ATOM 0 HA GLU A 41 -3.797 6.200 3.274 1.00 2.41 H new ATOM 0 HB2 GLU A 41 -6.061 5.979 4.183 1.00 5.34 H new ATOM 0 HB3 GLU A 41 -5.404 7.583 4.441 1.00 5.34 H new ATOM 0 HG2 GLU A 41 -6.699 8.342 2.390 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -7.471 6.768 2.377 1.00 52.41 H new ATOM 672 N ILE A 42 -4.770 4.286 1.991 1.00 1.11 N ATOM 673 CA ILE A 42 -5.001 3.203 1.055 1.00 52.42 C ATOM 674 C ILE A 42 -5.772 2.063 1.710 1.00 50.31 C ATOM 675 O ILE A 42 -5.401 1.581 2.780 1.00 50.32 O ATOM 676 CB ILE A 42 -3.664 2.657 0.508 1.00 63.25 C ATOM 677 CG1 ILE A 42 -2.903 3.752 -0.247 1.00 44.25 C ATOM 678 CG2 ILE A 42 -3.909 1.456 -0.394 1.00 1.12 C ATOM 679 CD1 ILE A 42 -1.555 3.305 -0.775 1.00 12.24 C ATOM 0 H ILE A 42 -4.375 3.994 2.885 1.00 1.11 H new ATOM 0 HA ILE A 42 -5.593 3.607 0.233 1.00 52.42 H new ATOM 0 HB ILE A 42 -3.053 2.335 1.351 1.00 63.25 H new ATOM 0 HG12 ILE A 42 -3.514 4.097 -1.081 1.00 44.25 H new ATOM 0 HG13 ILE A 42 -2.759 4.605 0.416 1.00 44.25 H new ATOM 0 HG21 ILE A 42 -2.956 1.084 -0.771 1.00 1.12 H new ATOM 0 HG22 ILE A 42 -4.407 0.670 0.174 1.00 1.12 H new ATOM 0 HG23 ILE A 42 -4.540 1.753 -1.232 1.00 1.12 H new ATOM 0 HD11 ILE A 42 -1.076 4.133 -1.297 1.00 12.24 H new ATOM 0 HD12 ILE A 42 -0.926 2.988 0.056 1.00 12.24 H new ATOM 0 HD13 ILE A 42 -1.692 2.472 -1.464 1.00 12.24 H new ATOM 691 N TYR A 43 -6.851 1.642 1.066 1.00 44.03 N ATOM 692 CA TYR A 43 -7.633 0.514 1.544 1.00 21.23 C ATOM 693 C TYR A 43 -7.211 -0.754 0.815 1.00 33.05 C ATOM 694 O TYR A 43 -7.490 -0.919 -0.373 1.00 55.12 O ATOM 695 CB TYR A 43 -9.130 0.775 1.336 1.00 51.41 C ATOM 696 CG TYR A 43 -10.023 -0.359 1.802 1.00 13.11 C ATOM 697 CD1 TYR A 43 -10.130 -0.684 3.150 1.00 23.22 C ATOM 698 CD2 TYR A 43 -10.759 -1.105 0.889 1.00 55.33 C ATOM 699 CE1 TYR A 43 -10.947 -1.718 3.574 1.00 21.55 C ATOM 700 CE2 TYR A 43 -11.578 -2.139 1.306 1.00 51.15 C ATOM 701 CZ TYR A 43 -11.669 -2.442 2.649 1.00 71.21 C ATOM 702 OH TYR A 43 -12.485 -3.474 3.067 1.00 52.41 O ATOM 0 H TYR A 43 -7.205 2.067 0.209 1.00 44.03 H new ATOM 0 HA TYR A 43 -7.451 0.386 2.611 1.00 21.23 H new ATOM 0 HB2 TYR A 43 -9.407 1.685 1.868 1.00 51.41 H new ATOM 0 HB3 TYR A 43 -9.313 0.957 0.277 1.00 51.41 H new ATOM 0 HD1 TYR A 43 -9.566 -0.120 3.878 1.00 23.22 H new ATOM 0 HD2 TYR A 43 -10.690 -0.874 -0.164 1.00 55.33 H new ATOM 0 HE1 TYR A 43 -11.019 -1.957 4.625 1.00 21.55 H new ATOM 0 HE2 TYR A 43 -12.144 -2.707 0.583 1.00 51.15 H new ATOM 0 HH TYR A 43 -12.923 -3.880 2.290 1.00 52.41 H new ATOM 712 N ILE A 44 -6.522 -1.636 1.520 1.00 14.00 N ATOM 713 CA ILE A 44 -6.065 -2.884 0.930 1.00 35.33 C ATOM 714 C ILE A 44 -7.231 -3.852 0.797 1.00 44.21 C ATOM 715 O ILE A 44 -7.770 -4.321 1.799 1.00 31.45 O ATOM 716 CB ILE A 44 -4.952 -3.548 1.773 1.00 32.05 C ATOM 717 CG1 ILE A 44 -3.786 -2.577 1.986 1.00 3.51 C ATOM 718 CG2 ILE A 44 -4.468 -4.832 1.109 1.00 11.40 C ATOM 719 CD1 ILE A 44 -3.115 -2.135 0.704 1.00 12.22 C ATOM 0 H ILE A 44 -6.267 -1.512 2.500 1.00 14.00 H new ATOM 0 HA ILE A 44 -5.655 -2.648 -0.052 1.00 35.33 H new ATOM 0 HB ILE A 44 -5.367 -3.804 2.748 1.00 32.05 H new ATOM 0 HG12 ILE A 44 -4.151 -1.697 2.516 1.00 3.51 H new ATOM 0 HG13 ILE A 44 -3.044 -3.051 2.628 1.00 3.51 H new ATOM 0 HG21 ILE A 44 -3.685 -5.284 1.718 1.00 11.40 H new ATOM 0 HG22 ILE A 44 -5.301 -5.529 1.014 1.00 11.40 H new ATOM 0 HG23 ILE A 44 -4.072 -4.603 0.120 1.00 11.40 H new ATOM 0 HD11 ILE A 44 -2.300 -1.449 0.937 1.00 12.22 H new ATOM 0 HD12 ILE A 44 -2.718 -3.006 0.182 1.00 12.22 H new ATOM 0 HD13 ILE A 44 -3.842 -1.631 0.068 1.00 12.22 H new ATOM 731 N GLU A 45 -7.627 -4.129 -0.437 1.00 35.51 N ATOM 732 CA GLU A 45 -8.720 -5.052 -0.690 1.00 14.04 C ATOM 733 C GLU A 45 -8.255 -6.478 -0.433 1.00 25.11 C ATOM 734 O GLU A 45 -8.868 -7.218 0.337 1.00 43.34 O ATOM 735 CB GLU A 45 -9.209 -4.925 -2.131 1.00 51.53 C ATOM 736 CG GLU A 45 -9.585 -3.511 -2.533 1.00 33.42 C ATOM 737 CD GLU A 45 -10.175 -3.448 -3.926 1.00 12.54 C ATOM 738 OE1 GLU A 45 -9.613 -4.074 -4.847 1.00 62.52 O ATOM 739 OE2 GLU A 45 -11.217 -2.781 -4.103 1.00 5.32 O ATOM 0 H GLU A 45 -7.208 -3.728 -1.276 1.00 35.51 H new ATOM 0 HA GLU A 45 -9.544 -4.808 -0.019 1.00 14.04 H new ATOM 0 HB2 GLU A 45 -8.430 -5.287 -2.801 1.00 51.53 H new ATOM 0 HB3 GLU A 45 -10.074 -5.573 -2.269 1.00 51.53 H new ATOM 0 HG2 GLU A 45 -10.304 -3.111 -1.818 1.00 33.42 H new ATOM 0 HG3 GLU A 45 -8.701 -2.875 -2.486 1.00 33.42 H new ATOM 746 N GLY A 46 -7.156 -6.842 -1.077 1.00 70.31 N ATOM 747 CA GLY A 46 -6.607 -8.168 -0.922 1.00 43.53 C ATOM 748 C GLY A 46 -5.367 -8.363 -1.763 1.00 54.24 C ATOM 749 O GLY A 46 -4.958 -7.461 -2.501 1.00 11.45 O ATOM 0 H GLY A 46 -6.633 -6.235 -1.708 1.00 70.31 H new ATOM 0 HA2 GLY A 46 -6.366 -8.341 0.127 1.00 43.53 H new ATOM 0 HA3 GLY A 46 -7.357 -8.907 -1.203 1.00 43.53 H new ATOM 753 N LYS A 47 -4.764 -9.530 -1.649 1.00 55.04 N ATOM 754 CA LYS A 47 -3.581 -9.864 -2.423 1.00 1.43 C ATOM 755 C LYS A 47 -3.845 -11.126 -3.222 1.00 60.04 C ATOM 756 O LYS A 47 -4.539 -12.027 -2.745 1.00 41.24 O ATOM 757 CB LYS A 47 -2.373 -10.073 -1.500 1.00 44.13 C ATOM 758 CG LYS A 47 -2.028 -8.853 -0.656 1.00 43.00 C ATOM 759 CD LYS A 47 -1.054 -9.196 0.462 1.00 73.23 C ATOM 760 CE LYS A 47 0.240 -9.789 -0.071 1.00 74.33 C ATOM 761 NZ LYS A 47 1.150 -10.202 1.030 1.00 71.43 N ATOM 0 H LYS A 47 -5.077 -10.271 -1.021 1.00 55.04 H new ATOM 0 HA LYS A 47 -3.356 -9.040 -3.101 1.00 1.43 H new ATOM 0 HB2 LYS A 47 -2.574 -10.916 -0.839 1.00 44.13 H new ATOM 0 HB3 LYS A 47 -1.507 -10.342 -2.105 1.00 44.13 H new ATOM 0 HG2 LYS A 47 -1.594 -8.082 -1.292 1.00 43.00 H new ATOM 0 HG3 LYS A 47 -2.940 -8.437 -0.228 1.00 43.00 H new ATOM 0 HD2 LYS A 47 -0.831 -8.297 1.037 1.00 73.23 H new ATOM 0 HD3 LYS A 47 -1.522 -9.904 1.146 1.00 73.23 H new ATOM 0 HE2 LYS A 47 0.014 -10.651 -0.699 1.00 74.33 H new ATOM 0 HE3 LYS A 47 0.743 -9.057 -0.703 1.00 74.33 H new ATOM 0 HZ1 LYS A 47 1.681 -11.048 0.742 1.00 71.43 H new ATOM 0 HZ2 LYS A 47 1.815 -9.430 1.239 1.00 71.43 H new ATOM 0 HZ3 LYS A 47 0.591 -10.417 1.880 1.00 71.43 H new ATOM 775 N ALA A 48 -3.314 -11.184 -4.436 1.00 32.42 N ATOM 776 CA ALA A 48 -3.448 -12.370 -5.270 1.00 73.24 C ATOM 777 C ALA A 48 -2.825 -13.577 -4.574 1.00 61.41 C ATOM 778 O ALA A 48 -1.958 -13.416 -3.715 1.00 41.23 O ATOM 779 CB ALA A 48 -2.796 -12.135 -6.627 1.00 54.23 C ATOM 0 H ALA A 48 -2.787 -10.424 -4.865 1.00 32.42 H new ATOM 0 HA ALA A 48 -4.507 -12.573 -5.428 1.00 73.24 H new ATOM 0 HB1 ALA A 48 -2.903 -13.029 -7.242 1.00 54.23 H new ATOM 0 HB2 ALA A 48 -3.281 -11.294 -7.123 1.00 54.23 H new ATOM 0 HB3 ALA A 48 -1.738 -11.914 -6.489 1.00 54.23 H new ATOM 785 N PRO A 49 -3.254 -14.801 -4.932 1.00 11.32 N ATOM 786 CA PRO A 49 -2.767 -16.040 -4.302 1.00 70.21 C ATOM 787 C PRO A 49 -1.242 -16.171 -4.334 1.00 21.35 C ATOM 788 O PRO A 49 -0.648 -16.851 -3.496 1.00 52.14 O ATOM 789 CB PRO A 49 -3.412 -17.157 -5.137 1.00 52.14 C ATOM 790 CG PRO A 49 -3.932 -16.489 -6.367 1.00 1.31 C ATOM 791 CD PRO A 49 -4.262 -15.084 -5.966 1.00 55.41 C ATOM 0 HA PRO A 49 -3.029 -16.071 -3.244 1.00 70.21 H new ATOM 0 HB2 PRO A 49 -2.684 -17.929 -5.388 1.00 52.14 H new ATOM 0 HB3 PRO A 49 -4.216 -17.644 -4.586 1.00 52.14 H new ATOM 0 HG2 PRO A 49 -3.187 -16.503 -7.163 1.00 1.31 H new ATOM 0 HG3 PRO A 49 -4.814 -17.004 -6.747 1.00 1.31 H new ATOM 0 HD2 PRO A 49 -4.186 -14.394 -6.806 1.00 55.41 H new ATOM 0 HD3 PRO A 49 -5.277 -15.001 -5.577 1.00 55.41 H new ATOM 799 N MET A 50 -0.613 -15.509 -5.298 1.00 40.21 N ATOM 800 CA MET A 50 0.840 -15.543 -5.434 1.00 33.42 C ATOM 801 C MET A 50 1.495 -14.503 -4.524 1.00 13.02 C ATOM 802 O MET A 50 2.705 -14.533 -4.290 1.00 72.30 O ATOM 803 CB MET A 50 1.241 -15.274 -6.888 1.00 42.31 C ATOM 804 CG MET A 50 0.643 -16.250 -7.887 1.00 11.22 C ATOM 805 SD MET A 50 1.058 -15.828 -9.591 1.00 53.24 S ATOM 806 CE MET A 50 0.139 -17.078 -10.485 1.00 24.40 C ATOM 0 H MET A 50 -1.087 -14.940 -5.999 1.00 40.21 H new ATOM 0 HA MET A 50 1.184 -16.534 -5.140 1.00 33.42 H new ATOM 0 HB2 MET A 50 0.936 -14.263 -7.157 1.00 42.31 H new ATOM 0 HB3 MET A 50 2.328 -15.310 -6.967 1.00 42.31 H new ATOM 0 HG2 MET A 50 1.001 -17.256 -7.667 1.00 11.22 H new ATOM 0 HG3 MET A 50 -0.441 -16.265 -7.773 1.00 11.22 H new ATOM 0 HE1 MET A 50 0.295 -16.948 -11.556 1.00 24.40 H new ATOM 0 HE2 MET A 50 0.484 -18.067 -10.185 1.00 24.40 H new ATOM 0 HE3 MET A 50 -0.923 -16.980 -10.259 1.00 24.40 H new ATOM 816 N GLY A 51 0.682 -13.594 -4.003 1.00 43.45 N ATOM 817 CA GLY A 51 1.192 -12.471 -3.241 1.00 31.23 C ATOM 818 C GLY A 51 1.459 -11.278 -4.131 1.00 21.23 C ATOM 819 O GLY A 51 1.845 -10.210 -3.661 1.00 3.51 O ATOM 0 H GLY A 51 -0.333 -13.616 -4.096 1.00 43.45 H new ATOM 0 HA2 GLY A 51 0.474 -12.197 -2.468 1.00 31.23 H new ATOM 0 HA3 GLY A 51 2.112 -12.761 -2.733 1.00 31.23 H new ATOM 823 N ASP A 52 1.241 -11.479 -5.422 1.00 61.44 N ATOM 824 CA ASP A 52 1.440 -10.451 -6.431 1.00 53.43 C ATOM 825 C ASP A 52 0.490 -10.700 -7.597 1.00 74.31 C ATOM 826 O ASP A 52 0.325 -11.844 -8.028 1.00 62.21 O ATOM 827 CB ASP A 52 2.893 -10.463 -6.915 1.00 61.41 C ATOM 828 CG ASP A 52 3.118 -9.625 -8.160 1.00 2.33 C ATOM 829 OD1 ASP A 52 3.413 -8.417 -8.033 1.00 4.25 O ATOM 830 OD2 ASP A 52 3.026 -10.178 -9.273 1.00 70.41 O ATOM 0 H ASP A 52 0.918 -12.369 -5.802 1.00 61.44 H new ATOM 0 HA ASP A 52 1.230 -9.472 -6.000 1.00 53.43 H new ATOM 0 HB2 ASP A 52 3.538 -10.095 -6.117 1.00 61.41 H new ATOM 0 HB3 ASP A 52 3.192 -11.491 -7.118 1.00 61.41 H new ATOM 835 N PRO A 53 -0.175 -9.650 -8.100 1.00 41.13 N ATOM 836 CA PRO A 53 -0.062 -8.295 -7.571 1.00 0.12 C ATOM 837 C PRO A 53 -0.964 -8.065 -6.358 1.00 72.54 C ATOM 838 O PRO A 53 -1.681 -8.968 -5.912 1.00 31.11 O ATOM 839 CB PRO A 53 -0.504 -7.403 -8.747 1.00 13.24 C ATOM 840 CG PRO A 53 -0.903 -8.329 -9.855 1.00 74.41 C ATOM 841 CD PRO A 53 -1.082 -9.692 -9.245 1.00 22.04 C ATOM 0 HA PRO A 53 0.948 -8.084 -7.219 1.00 0.12 H new ATOM 0 HB2 PRO A 53 -1.337 -6.763 -8.457 1.00 13.24 H new ATOM 0 HB3 PRO A 53 0.307 -6.747 -9.063 1.00 13.24 H new ATOM 0 HG2 PRO A 53 -1.827 -7.992 -10.325 1.00 74.41 H new ATOM 0 HG3 PRO A 53 -0.140 -8.352 -10.633 1.00 74.41 H new ATOM 0 HD2 PRO A 53 -2.113 -9.867 -8.939 1.00 22.04 H new ATOM 0 HD3 PRO A 53 -0.817 -10.486 -9.943 1.00 22.04 H new ATOM 849 N ILE A 54 -0.914 -6.856 -5.821 1.00 54.24 N ATOM 850 CA ILE A 54 -1.750 -6.482 -4.693 1.00 21.12 C ATOM 851 C ILE A 54 -2.820 -5.502 -5.161 1.00 33.33 C ATOM 852 O ILE A 54 -2.553 -4.650 -6.010 1.00 1.21 O ATOM 853 CB ILE A 54 -0.928 -5.836 -3.541 1.00 55.42 C ATOM 854 CG1 ILE A 54 0.171 -6.783 -3.034 1.00 55.25 C ATOM 855 CG2 ILE A 54 -1.839 -5.436 -2.384 1.00 20.11 C ATOM 856 CD1 ILE A 54 1.430 -6.788 -3.880 1.00 2.34 C ATOM 0 H ILE A 54 -0.298 -6.113 -6.152 1.00 54.24 H new ATOM 0 HA ILE A 54 -2.207 -7.392 -4.303 1.00 21.12 H new ATOM 0 HB ILE A 54 -0.452 -4.943 -3.945 1.00 55.42 H new ATOM 0 HG12 ILE A 54 0.434 -6.503 -2.014 1.00 55.25 H new ATOM 0 HG13 ILE A 54 -0.229 -7.796 -2.993 1.00 55.25 H new ATOM 0 HG21 ILE A 54 -1.243 -4.987 -1.590 1.00 20.11 H new ATOM 0 HG22 ILE A 54 -2.578 -4.716 -2.735 1.00 20.11 H new ATOM 0 HG23 ILE A 54 -2.348 -6.320 -1.999 1.00 20.11 H new ATOM 0 HD11 ILE A 54 2.153 -7.482 -3.452 1.00 2.34 H new ATOM 0 HD12 ILE A 54 1.185 -7.099 -4.895 1.00 2.34 H new ATOM 0 HD13 ILE A 54 1.858 -5.786 -3.901 1.00 2.34 H new ATOM 868 N ALA A 55 -4.028 -5.633 -4.628 1.00 53.53 N ATOM 869 CA ALA A 55 -5.123 -4.745 -4.991 1.00 63.00 C ATOM 870 C ALA A 55 -5.347 -3.691 -3.912 1.00 41.40 C ATOM 871 O ALA A 55 -5.744 -4.008 -2.786 1.00 25.24 O ATOM 872 CB ALA A 55 -6.389 -5.544 -5.231 1.00 1.02 C ATOM 0 H ALA A 55 -4.274 -6.347 -3.942 1.00 53.53 H new ATOM 0 HA ALA A 55 -4.857 -4.230 -5.914 1.00 63.00 H new ATOM 0 HB1 ALA A 55 -7.200 -4.868 -5.502 1.00 1.02 H new ATOM 0 HB2 ALA A 55 -6.223 -6.254 -6.041 1.00 1.02 H new ATOM 0 HB3 ALA A 55 -6.655 -6.085 -4.323 1.00 1.02 H new ATOM 878 N LEU A 56 -5.080 -2.439 -4.257 1.00 35.23 N ATOM 879 CA LEU A 56 -5.201 -1.340 -3.311 1.00 33.01 C ATOM 880 C LEU A 56 -6.261 -0.360 -3.779 1.00 72.22 C ATOM 881 O LEU A 56 -6.277 0.027 -4.940 1.00 71.34 O ATOM 882 CB LEU A 56 -3.886 -0.561 -3.170 1.00 41.54 C ATOM 883 CG LEU A 56 -2.614 -1.369 -2.893 1.00 11.42 C ATOM 884 CD1 LEU A 56 -2.104 -2.053 -4.152 1.00 2.33 C ATOM 885 CD2 LEU A 56 -1.540 -0.460 -2.317 1.00 2.01 C ATOM 0 H LEU A 56 -4.777 -2.159 -5.190 1.00 35.23 H new ATOM 0 HA LEU A 56 -5.468 -1.781 -2.351 1.00 33.01 H new ATOM 0 HB2 LEU A 56 -3.731 0.007 -4.087 1.00 41.54 H new ATOM 0 HB3 LEU A 56 -4.008 0.162 -2.364 1.00 41.54 H new ATOM 0 HG LEU A 56 -2.857 -2.146 -2.168 1.00 11.42 H new ATOM 0 HD11 LEU A 56 -1.201 -2.617 -3.919 1.00 2.33 H new ATOM 0 HD12 LEU A 56 -2.868 -2.731 -4.532 1.00 2.33 H new ATOM 0 HD13 LEU A 56 -1.877 -1.301 -4.908 1.00 2.33 H new ATOM 0 HD21 LEU A 56 -0.638 -1.040 -2.122 1.00 2.01 H new ATOM 0 HD22 LEU A 56 -1.314 0.333 -3.030 1.00 2.01 H new ATOM 0 HD23 LEU A 56 -1.897 -0.020 -1.386 1.00 2.01 H new ATOM 897 N ARG A 57 -7.127 0.052 -2.881 1.00 32.22 N ATOM 898 CA ARG A 57 -8.086 1.097 -3.194 1.00 61.43 C ATOM 899 C ARG A 57 -7.551 2.425 -2.683 1.00 71.01 C ATOM 900 O ARG A 57 -7.552 2.684 -1.478 1.00 64.23 O ATOM 901 CB ARG A 57 -9.455 0.817 -2.575 1.00 72.35 C ATOM 902 CG ARG A 57 -10.510 1.819 -3.008 1.00 31.12 C ATOM 903 CD ARG A 57 -11.784 1.695 -2.191 1.00 51.01 C ATOM 904 NE ARG A 57 -12.665 2.849 -2.382 1.00 61.11 N ATOM 905 CZ ARG A 57 -13.971 2.843 -2.122 1.00 50.13 C ATOM 906 NH1 ARG A 57 -14.571 1.737 -1.703 1.00 10.13 N ATOM 907 NH2 ARG A 57 -14.677 3.954 -2.284 1.00 10.13 N ATOM 0 H ARG A 57 -7.190 -0.316 -1.932 1.00 32.22 H new ATOM 0 HA ARG A 57 -8.218 1.130 -4.276 1.00 61.43 H new ATOM 0 HB2 ARG A 57 -9.777 -0.186 -2.854 1.00 72.35 H new ATOM 0 HB3 ARG A 57 -9.368 0.834 -1.489 1.00 72.35 H new ATOM 0 HG2 ARG A 57 -10.113 2.829 -2.908 1.00 31.12 H new ATOM 0 HG3 ARG A 57 -10.740 1.670 -4.063 1.00 31.12 H new ATOM 0 HD2 ARG A 57 -12.311 0.784 -2.475 1.00 51.01 H new ATOM 0 HD3 ARG A 57 -11.531 1.601 -1.135 1.00 51.01 H new ATOM 0 HE ARG A 57 -12.252 3.712 -2.737 1.00 61.11 H new ATOM 0 HH11 ARG A 57 -14.032 0.881 -1.577 1.00 10.13 H new ATOM 0 HH12 ARG A 57 -15.572 1.743 -1.507 1.00 10.13 H new ATOM 0 HH21 ARG A 57 -14.219 4.807 -2.606 1.00 10.13 H new ATOM 0 HH22 ARG A 57 -15.678 3.956 -2.087 1.00 10.13 H new ATOM 921 N LEU A 58 -7.085 3.258 -3.596 1.00 51.31 N ATOM 922 CA LEU A 58 -6.441 4.505 -3.232 1.00 32.52 C ATOM 923 C LEU A 58 -6.860 5.622 -4.173 1.00 31.31 C ATOM 924 O LEU A 58 -7.232 5.363 -5.318 1.00 73.33 O ATOM 925 CB LEU A 58 -4.919 4.319 -3.244 1.00 52.43 C ATOM 926 CG LEU A 58 -4.342 3.681 -4.517 1.00 72.04 C ATOM 927 CD1 LEU A 58 -4.056 4.732 -5.579 1.00 70.22 C ATOM 928 CD2 LEU A 58 -3.086 2.894 -4.191 1.00 31.53 C ATOM 0 H LEU A 58 -7.142 3.091 -4.601 1.00 51.31 H new ATOM 0 HA LEU A 58 -6.753 4.787 -2.226 1.00 32.52 H new ATOM 0 HB2 LEU A 58 -4.450 5.293 -3.102 1.00 52.43 H new ATOM 0 HB3 LEU A 58 -4.639 3.702 -2.390 1.00 52.43 H new ATOM 0 HG LEU A 58 -5.088 2.996 -4.920 1.00 72.04 H new ATOM 0 HD11 LEU A 58 -3.649 4.250 -6.468 1.00 70.22 H new ATOM 0 HD12 LEU A 58 -4.980 5.249 -5.838 1.00 70.22 H new ATOM 0 HD13 LEU A 58 -3.334 5.452 -5.193 1.00 70.22 H new ATOM 0 HD21 LEU A 58 -2.689 2.448 -5.103 1.00 31.53 H new ATOM 0 HD22 LEU A 58 -2.340 3.561 -3.759 1.00 31.53 H new ATOM 0 HD23 LEU A 58 -3.325 2.106 -3.476 1.00 31.53 H new ATOM 940 N ARG A 59 -6.846 6.853 -3.664 1.00 64.41 N ATOM 941 CA ARG A 59 -7.151 8.052 -4.457 1.00 5.53 C ATOM 942 C ARG A 59 -8.645 8.137 -4.807 1.00 73.11 C ATOM 943 O ARG A 59 -9.157 9.210 -5.132 1.00 54.11 O ATOM 944 CB ARG A 59 -6.290 8.089 -5.729 1.00 24.33 C ATOM 945 CG ARG A 59 -6.384 9.394 -6.502 1.00 63.34 C ATOM 946 CD ARG A 59 -5.452 9.405 -7.702 1.00 0.24 C ATOM 947 NE ARG A 59 -5.482 10.691 -8.396 1.00 34.24 N ATOM 948 CZ ARG A 59 -4.694 11.012 -9.422 1.00 70.35 C ATOM 949 NH1 ARG A 59 -3.819 10.130 -9.897 1.00 53.14 N ATOM 950 NH2 ARG A 59 -4.786 12.215 -9.974 1.00 54.31 N ATOM 0 H ARG A 59 -6.623 7.052 -2.689 1.00 64.41 H new ATOM 0 HA ARG A 59 -6.910 8.923 -3.847 1.00 5.53 H new ATOM 0 HB2 ARG A 59 -5.249 7.915 -5.456 1.00 24.33 H new ATOM 0 HB3 ARG A 59 -6.590 7.269 -6.382 1.00 24.33 H new ATOM 0 HG2 ARG A 59 -7.410 9.545 -6.837 1.00 63.34 H new ATOM 0 HG3 ARG A 59 -6.138 10.226 -5.842 1.00 63.34 H new ATOM 0 HD2 ARG A 59 -4.434 9.191 -7.375 1.00 0.24 H new ATOM 0 HD3 ARG A 59 -5.738 8.612 -8.393 1.00 0.24 H new ATOM 0 HE ARG A 59 -6.151 11.390 -8.073 1.00 34.24 H new ATOM 0 HH11 ARG A 59 -3.749 9.204 -9.476 1.00 53.14 H new ATOM 0 HH12 ARG A 59 -3.218 10.380 -10.682 1.00 53.14 H new ATOM 0 HH21 ARG A 59 -5.459 12.892 -9.613 1.00 54.31 H new ATOM 0 HH22 ARG A 59 -4.184 12.463 -10.759 1.00 54.31 H new ATOM 964 N GLY A 60 -9.337 7.008 -4.736 1.00 14.44 N ATOM 965 CA GLY A 60 -10.756 6.977 -5.022 1.00 41.51 C ATOM 966 C GLY A 60 -11.199 5.640 -5.575 1.00 51.11 C ATOM 967 O GLY A 60 -12.354 5.250 -5.417 1.00 20.14 O ATOM 0 H GLY A 60 -8.935 6.105 -4.483 1.00 14.44 H new ATOM 0 HA2 GLY A 60 -11.313 7.194 -4.111 1.00 41.51 H new ATOM 0 HA3 GLY A 60 -10.998 7.762 -5.738 1.00 41.51 H new ATOM 971 N TYR A 61 -10.278 4.932 -6.218 1.00 54.50 N ATOM 972 CA TYR A 61 -10.589 3.635 -6.809 1.00 5.34 C ATOM 973 C TYR A 61 -9.440 2.652 -6.616 1.00 42.42 C ATOM 974 O TYR A 61 -8.339 3.034 -6.227 1.00 14.21 O ATOM 975 CB TYR A 61 -10.934 3.779 -8.297 1.00 61.02 C ATOM 976 CG TYR A 61 -10.031 4.724 -9.059 1.00 24.41 C ATOM 977 CD1 TYR A 61 -8.834 4.287 -9.612 1.00 62.34 C ATOM 978 CD2 TYR A 61 -10.380 6.058 -9.226 1.00 51.32 C ATOM 979 CE1 TYR A 61 -8.013 5.151 -10.311 1.00 45.12 C ATOM 980 CE2 TYR A 61 -9.567 6.927 -9.925 1.00 41.23 C ATOM 981 CZ TYR A 61 -8.383 6.471 -10.465 1.00 34.44 C ATOM 982 OH TYR A 61 -7.569 7.338 -11.160 1.00 74.50 O ATOM 0 H TYR A 61 -9.312 5.233 -6.344 1.00 54.50 H new ATOM 0 HA TYR A 61 -11.463 3.237 -6.293 1.00 5.34 H new ATOM 0 HB2 TYR A 61 -10.888 2.796 -8.765 1.00 61.02 H new ATOM 0 HB3 TYR A 61 -11.963 4.127 -8.387 1.00 61.02 H new ATOM 0 HD1 TYR A 61 -8.540 3.255 -9.494 1.00 62.34 H new ATOM 0 HD2 TYR A 61 -11.304 6.422 -8.801 1.00 51.32 H new ATOM 0 HE1 TYR A 61 -7.086 4.795 -10.735 1.00 45.12 H new ATOM 0 HE2 TYR A 61 -9.857 7.960 -10.049 1.00 41.23 H new ATOM 0 HH TYR A 61 -7.978 8.229 -11.176 1.00 74.50 H new ATOM 992 N SER A 62 -9.711 1.386 -6.867 1.00 61.43 N ATOM 993 CA SER A 62 -8.741 0.338 -6.649 1.00 51.12 C ATOM 994 C SER A 62 -7.812 0.160 -7.855 1.00 51.13 C ATOM 995 O SER A 62 -8.251 0.201 -9.004 1.00 14.02 O ATOM 996 CB SER A 62 -9.487 -0.951 -6.358 1.00 30.12 C ATOM 997 OG SER A 62 -10.662 -0.703 -5.595 1.00 1.10 O ATOM 0 H SER A 62 -10.608 1.059 -7.227 1.00 61.43 H new ATOM 0 HA SER A 62 -8.110 0.610 -5.803 1.00 51.12 H new ATOM 0 HB2 SER A 62 -9.755 -1.439 -7.295 1.00 30.12 H new ATOM 0 HB3 SER A 62 -8.836 -1.637 -5.816 1.00 30.12 H new ATOM 0 HG SER A 62 -11.062 -1.556 -5.323 1.00 1.10 H new ATOM 1003 N LEU A 63 -6.530 -0.035 -7.567 1.00 75.13 N ATOM 1004 CA LEU A 63 -5.513 -0.287 -8.582 1.00 75.02 C ATOM 1005 C LEU A 63 -4.625 -1.447 -8.136 1.00 74.24 C ATOM 1006 O LEU A 63 -4.563 -1.762 -6.946 1.00 12.32 O ATOM 1007 CB LEU A 63 -4.656 0.966 -8.805 1.00 75.25 C ATOM 1008 CG LEU A 63 -5.398 2.181 -9.369 1.00 73.33 C ATOM 1009 CD1 LEU A 63 -4.482 3.393 -9.403 1.00 1.21 C ATOM 1010 CD2 LEU A 63 -5.930 1.882 -10.764 1.00 24.02 C ATOM 0 H LEU A 63 -6.164 -0.023 -6.615 1.00 75.13 H new ATOM 0 HA LEU A 63 -6.006 -0.543 -9.520 1.00 75.02 H new ATOM 0 HB2 LEU A 63 -4.202 1.248 -7.855 1.00 75.25 H new ATOM 0 HB3 LEU A 63 -3.842 0.712 -9.484 1.00 75.25 H new ATOM 0 HG LEU A 63 -6.243 2.401 -8.716 1.00 73.33 H new ATOM 0 HD11 LEU A 63 -5.025 4.248 -9.806 1.00 1.21 H new ATOM 0 HD12 LEU A 63 -4.144 3.622 -8.392 1.00 1.21 H new ATOM 0 HD13 LEU A 63 -3.620 3.180 -10.035 1.00 1.21 H new ATOM 0 HD21 LEU A 63 -6.454 2.757 -11.149 1.00 24.02 H new ATOM 0 HD22 LEU A 63 -5.099 1.637 -11.426 1.00 24.02 H new ATOM 0 HD23 LEU A 63 -6.618 1.038 -10.718 1.00 24.02 H new ATOM 1022 N SER A 64 -3.946 -2.082 -9.078 1.00 65.22 N ATOM 1023 CA SER A 64 -3.091 -3.204 -8.760 1.00 34.23 C ATOM 1024 C SER A 64 -1.615 -2.809 -8.803 1.00 1.43 C ATOM 1025 O SER A 64 -1.111 -2.332 -9.824 1.00 44.31 O ATOM 1026 CB SER A 64 -3.377 -4.352 -9.723 1.00 21.13 C ATOM 1027 OG SER A 64 -3.686 -3.874 -11.022 1.00 74.10 O ATOM 0 H SER A 64 -3.973 -1.836 -10.068 1.00 65.22 H new ATOM 0 HA SER A 64 -3.307 -3.530 -7.743 1.00 34.23 H new ATOM 0 HB2 SER A 64 -2.510 -5.011 -9.773 1.00 21.13 H new ATOM 0 HB3 SER A 64 -4.209 -4.947 -9.345 1.00 21.13 H new ATOM 0 HG SER A 64 -3.863 -4.633 -11.616 1.00 74.10 H new ATOM 1033 N LEU A 65 -0.932 -3.005 -7.686 1.00 12.21 N ATOM 1034 CA LEU A 65 0.482 -2.678 -7.579 1.00 1.33 C ATOM 1035 C LEU A 65 1.298 -3.964 -7.509 1.00 51.32 C ATOM 1036 O LEU A 65 0.843 -4.959 -6.942 1.00 35.43 O ATOM 1037 CB LEU A 65 0.728 -1.827 -6.328 1.00 61.13 C ATOM 1038 CG LEU A 65 2.122 -1.205 -6.212 1.00 54.15 C ATOM 1039 CD1 LEU A 65 2.331 -0.157 -7.292 1.00 12.43 C ATOM 1040 CD2 LEU A 65 2.324 -0.598 -4.832 1.00 62.54 C ATOM 0 H LEU A 65 -1.338 -3.392 -6.834 1.00 12.21 H new ATOM 0 HA LEU A 65 0.789 -2.108 -8.456 1.00 1.33 H new ATOM 0 HB2 LEU A 65 -0.010 -1.026 -6.305 1.00 61.13 H new ATOM 0 HB3 LEU A 65 0.553 -2.447 -5.449 1.00 61.13 H new ATOM 0 HG LEU A 65 2.862 -1.993 -6.351 1.00 54.15 H new ATOM 0 HD11 LEU A 65 3.327 0.274 -7.193 1.00 12.43 H new ATOM 0 HD12 LEU A 65 2.232 -0.621 -8.273 1.00 12.43 H new ATOM 0 HD13 LEU A 65 1.584 0.629 -7.185 1.00 12.43 H new ATOM 0 HD21 LEU A 65 3.321 -0.161 -4.769 1.00 62.54 H new ATOM 0 HD22 LEU A 65 1.577 0.177 -4.662 1.00 62.54 H new ATOM 0 HD23 LEU A 65 2.220 -1.375 -4.074 1.00 62.54 H new ATOM 1052 N ARG A 66 2.489 -3.948 -8.090 1.00 20.20 N ATOM 1053 CA ARG A 66 3.350 -5.124 -8.097 1.00 0.23 C ATOM 1054 C ARG A 66 4.031 -5.296 -6.745 1.00 15.32 C ATOM 1055 O ARG A 66 4.303 -4.316 -6.051 1.00 55.32 O ATOM 1056 CB ARG A 66 4.390 -5.007 -9.213 1.00 40.10 C ATOM 1057 CG ARG A 66 3.775 -5.057 -10.600 1.00 75.14 C ATOM 1058 CD ARG A 66 3.648 -6.484 -11.100 1.00 65.24 C ATOM 1059 NE ARG A 66 4.893 -6.953 -11.710 1.00 43.22 N ATOM 1060 CZ ARG A 66 5.614 -7.983 -11.265 1.00 72.12 C ATOM 1061 NH1 ARG A 66 5.256 -8.636 -10.168 1.00 33.20 N ATOM 1062 NH2 ARG A 66 6.706 -8.355 -11.917 1.00 42.22 N ATOM 0 H ARG A 66 2.882 -3.134 -8.563 1.00 20.20 H new ATOM 0 HA ARG A 66 2.737 -6.006 -8.283 1.00 0.23 H new ATOM 0 HB2 ARG A 66 4.937 -4.071 -9.097 1.00 40.10 H new ATOM 0 HB3 ARG A 66 5.115 -5.814 -9.113 1.00 40.10 H new ATOM 0 HG2 ARG A 66 2.791 -4.588 -10.580 1.00 75.14 H new ATOM 0 HG3 ARG A 66 4.389 -4.481 -11.292 1.00 75.14 H new ATOM 0 HD2 ARG A 66 3.379 -7.138 -10.271 1.00 65.24 H new ATOM 0 HD3 ARG A 66 2.840 -6.544 -11.829 1.00 65.24 H new ATOM 0 HE ARG A 66 5.233 -6.457 -12.534 1.00 43.22 H new ATOM 0 HH11 ARG A 66 4.421 -8.352 -9.655 1.00 33.20 H new ATOM 0 HH12 ARG A 66 5.815 -9.422 -9.837 1.00 33.20 H new ATOM 0 HH21 ARG A 66 6.994 -7.854 -12.758 1.00 42.22 H new ATOM 0 HH22 ARG A 66 7.259 -9.142 -11.578 1.00 42.22 H new ATOM 1076 N LYS A 67 4.302 -6.543 -6.380 1.00 61.34 N ATOM 1077 CA LYS A 67 4.927 -6.870 -5.100 1.00 42.00 C ATOM 1078 C LYS A 67 6.273 -6.163 -4.962 1.00 62.43 C ATOM 1079 O LYS A 67 6.643 -5.711 -3.877 1.00 42.54 O ATOM 1080 CB LYS A 67 5.093 -8.393 -4.986 1.00 3.14 C ATOM 1081 CG LYS A 67 5.288 -8.917 -3.567 1.00 15.03 C ATOM 1082 CD LYS A 67 6.732 -8.812 -3.103 1.00 3.44 C ATOM 1083 CE LYS A 67 6.915 -9.432 -1.727 1.00 32.12 C ATOM 1084 NZ LYS A 67 8.336 -9.430 -1.297 1.00 51.13 N ATOM 0 H LYS A 67 4.096 -7.356 -6.960 1.00 61.34 H new ATOM 0 HA LYS A 67 4.286 -6.523 -4.289 1.00 42.00 H new ATOM 0 HB2 LYS A 67 4.214 -8.872 -5.416 1.00 3.14 H new ATOM 0 HB3 LYS A 67 5.948 -8.696 -5.590 1.00 3.14 H new ATOM 0 HG2 LYS A 67 4.649 -8.357 -2.885 1.00 15.03 H new ATOM 0 HG3 LYS A 67 4.969 -9.958 -3.520 1.00 15.03 H new ATOM 0 HD2 LYS A 67 7.384 -9.312 -3.819 1.00 3.44 H new ATOM 0 HD3 LYS A 67 7.032 -7.765 -3.075 1.00 3.44 H new ATOM 0 HE2 LYS A 67 6.316 -8.883 -1.000 1.00 32.12 H new ATOM 0 HE3 LYS A 67 6.542 -10.456 -1.739 1.00 32.12 H new ATOM 0 HZ1 LYS A 67 8.414 -9.862 -0.354 1.00 51.13 H new ATOM 0 HZ2 LYS A 67 8.905 -9.975 -1.976 1.00 51.13 H new ATOM 0 HZ3 LYS A 67 8.686 -8.451 -1.260 1.00 51.13 H new ATOM 1098 N SER A 68 6.992 -6.062 -6.071 1.00 43.54 N ATOM 1099 CA SER A 68 8.271 -5.368 -6.091 1.00 51.20 C ATOM 1100 C SER A 68 8.083 -3.888 -5.748 1.00 23.12 C ATOM 1101 O SER A 68 8.780 -3.347 -4.890 1.00 41.12 O ATOM 1102 CB SER A 68 8.914 -5.511 -7.469 1.00 43.33 C ATOM 1103 OG SER A 68 8.871 -6.860 -7.909 1.00 22.42 O ATOM 0 H SER A 68 6.710 -6.453 -6.970 1.00 43.54 H new ATOM 0 HA SER A 68 8.925 -5.815 -5.342 1.00 51.20 H new ATOM 0 HB2 SER A 68 8.395 -4.874 -8.185 1.00 43.33 H new ATOM 0 HB3 SER A 68 9.948 -5.170 -7.430 1.00 43.33 H new ATOM 0 HG SER A 68 9.286 -6.929 -8.794 1.00 22.42 H new ATOM 1109 N GLU A 69 7.109 -3.260 -6.405 1.00 41.30 N ATOM 1110 CA GLU A 69 6.816 -1.839 -6.213 1.00 73.41 C ATOM 1111 C GLU A 69 6.275 -1.589 -4.810 1.00 12.13 C ATOM 1112 O GLU A 69 6.476 -0.525 -4.225 1.00 11.33 O ATOM 1113 CB GLU A 69 5.784 -1.391 -7.245 1.00 24.15 C ATOM 1114 CG GLU A 69 6.156 -1.748 -8.676 1.00 44.50 C ATOM 1115 CD GLU A 69 5.056 -1.421 -9.667 1.00 24.05 C ATOM 1116 OE1 GLU A 69 3.945 -1.975 -9.538 1.00 12.24 O ATOM 1117 OE2 GLU A 69 5.306 -0.623 -10.587 1.00 54.41 O ATOM 0 H GLU A 69 6.502 -3.720 -7.084 1.00 41.30 H new ATOM 0 HA GLU A 69 7.737 -1.270 -6.339 1.00 73.41 H new ATOM 0 HB2 GLU A 69 4.822 -1.845 -7.005 1.00 24.15 H new ATOM 0 HB3 GLU A 69 5.654 -0.311 -7.171 1.00 24.15 H new ATOM 0 HG2 GLU A 69 7.062 -1.211 -8.956 1.00 44.50 H new ATOM 0 HG3 GLU A 69 6.385 -2.812 -8.732 1.00 44.50 H new ATOM 1124 N ALA A 70 5.584 -2.587 -4.284 1.00 62.14 N ATOM 1125 CA ALA A 70 5.010 -2.529 -2.947 1.00 35.54 C ATOM 1126 C ALA A 70 6.084 -2.340 -1.873 1.00 13.22 C ATOM 1127 O ALA A 70 5.786 -1.917 -0.758 1.00 4.43 O ATOM 1128 CB ALA A 70 4.199 -3.785 -2.670 1.00 61.30 C ATOM 0 H ALA A 70 5.404 -3.464 -4.773 1.00 62.14 H new ATOM 0 HA ALA A 70 4.352 -1.661 -2.907 1.00 35.54 H new ATOM 0 HB1 ALA A 70 3.775 -3.730 -1.667 1.00 61.30 H new ATOM 0 HB2 ALA A 70 3.394 -3.867 -3.401 1.00 61.30 H new ATOM 0 HB3 ALA A 70 4.846 -4.659 -2.743 1.00 61.30 H new ATOM 1134 N LYS A 71 7.326 -2.683 -2.192 1.00 32.52 N ATOM 1135 CA LYS A 71 8.419 -2.505 -1.245 1.00 31.04 C ATOM 1136 C LYS A 71 8.911 -1.058 -1.260 1.00 13.44 C ATOM 1137 O LYS A 71 9.473 -0.570 -0.278 1.00 24.22 O ATOM 1138 CB LYS A 71 9.576 -3.460 -1.568 1.00 61.04 C ATOM 1139 CG LYS A 71 10.689 -3.424 -0.535 1.00 20.11 C ATOM 1140 CD LYS A 71 11.834 -4.356 -0.892 1.00 40.45 C ATOM 1141 CE LYS A 71 12.909 -4.318 0.177 1.00 75.22 C ATOM 1142 NZ LYS A 71 14.037 -5.230 -0.129 1.00 32.52 N ATOM 0 H LYS A 71 7.600 -3.082 -3.090 1.00 32.52 H new ATOM 0 HA LYS A 71 8.046 -2.737 -0.248 1.00 31.04 H new ATOM 0 HB2 LYS A 71 9.190 -4.477 -1.641 1.00 61.04 H new ATOM 0 HB3 LYS A 71 9.987 -3.205 -2.545 1.00 61.04 H new ATOM 0 HG2 LYS A 71 11.066 -2.405 -0.446 1.00 20.11 H new ATOM 0 HG3 LYS A 71 10.287 -3.702 0.439 1.00 20.11 H new ATOM 0 HD2 LYS A 71 11.460 -5.374 -1.003 1.00 40.45 H new ATOM 0 HD3 LYS A 71 12.259 -4.066 -1.853 1.00 40.45 H new ATOM 0 HE2 LYS A 71 13.284 -3.299 0.276 1.00 75.22 H new ATOM 0 HE3 LYS A 71 12.473 -4.592 1.138 1.00 75.22 H new ATOM 0 HZ1 LYS A 71 14.747 -5.170 0.629 1.00 32.52 H new ATOM 0 HZ2 LYS A 71 13.685 -6.206 -0.198 1.00 32.52 H new ATOM 0 HZ3 LYS A 71 14.471 -4.954 -1.033 1.00 32.52 H new ATOM 1156 N ASP A 72 8.672 -0.372 -2.371 1.00 1.12 N ATOM 1157 CA ASP A 72 9.119 1.008 -2.545 1.00 12.02 C ATOM 1158 C ASP A 72 8.236 1.983 -1.769 1.00 1.53 C ATOM 1159 O ASP A 72 8.520 3.182 -1.711 1.00 51.31 O ATOM 1160 CB ASP A 72 9.131 1.381 -4.032 1.00 52.24 C ATOM 1161 CG ASP A 72 10.232 0.685 -4.811 1.00 2.20 C ATOM 1162 OD1 ASP A 72 10.037 -0.477 -5.223 1.00 32.10 O ATOM 1163 OD2 ASP A 72 11.299 1.301 -5.023 1.00 5.05 O ATOM 0 H ASP A 72 8.167 -0.751 -3.172 1.00 1.12 H new ATOM 0 HA ASP A 72 10.132 1.081 -2.149 1.00 12.02 H new ATOM 0 HB2 ASP A 72 8.167 1.127 -4.472 1.00 52.24 H new ATOM 0 HB3 ASP A 72 9.252 2.460 -4.129 1.00 52.24 H new ATOM 1168 N ILE A 73 7.168 1.468 -1.170 1.00 4.23 N ATOM 1169 CA ILE A 73 6.252 2.290 -0.392 1.00 24.12 C ATOM 1170 C ILE A 73 6.145 1.774 1.040 1.00 4.14 C ATOM 1171 O ILE A 73 5.863 0.595 1.265 1.00 23.53 O ATOM 1172 CB ILE A 73 4.843 2.323 -1.032 1.00 24.21 C ATOM 1173 CG1 ILE A 73 4.894 2.978 -2.417 1.00 23.42 C ATOM 1174 CG2 ILE A 73 3.855 3.059 -0.134 1.00 71.22 C ATOM 1175 CD1 ILE A 73 5.349 4.423 -2.389 1.00 53.51 C ATOM 0 H ILE A 73 6.916 0.481 -1.209 1.00 4.23 H new ATOM 0 HA ILE A 73 6.656 3.302 -0.381 1.00 24.12 H new ATOM 0 HB ILE A 73 4.501 1.294 -1.147 1.00 24.21 H new ATOM 0 HG12 ILE A 73 5.568 2.406 -3.055 1.00 23.42 H new ATOM 0 HG13 ILE A 73 3.904 2.926 -2.871 1.00 23.42 H new ATOM 0 HG21 ILE A 73 2.872 3.069 -0.605 1.00 71.22 H new ATOM 0 HG22 ILE A 73 3.791 2.552 0.829 1.00 71.22 H new ATOM 0 HG23 ILE A 73 4.195 4.084 0.018 1.00 71.22 H new ATOM 0 HD11 ILE A 73 5.361 4.821 -3.404 1.00 53.51 H new ATOM 0 HD12 ILE A 73 4.663 5.009 -1.778 1.00 53.51 H new ATOM 0 HD13 ILE A 73 6.352 4.481 -1.965 1.00 53.51 H new ATOM 1187 N LEU A 74 6.380 2.662 1.999 1.00 42.20 N ATOM 1188 CA LEU A 74 6.281 2.323 3.406 1.00 64.40 C ATOM 1189 C LEU A 74 5.043 2.975 4.013 1.00 61.13 C ATOM 1190 O LEU A 74 4.899 4.202 4.000 1.00 72.54 O ATOM 1191 CB LEU A 74 7.536 2.779 4.145 1.00 12.10 C ATOM 1192 CG LEU A 74 8.841 2.118 3.687 1.00 52.10 C ATOM 1193 CD1 LEU A 74 10.023 2.675 4.464 1.00 35.34 C ATOM 1194 CD2 LEU A 74 8.762 0.604 3.851 1.00 13.01 C ATOM 0 H LEU A 74 6.643 3.631 1.820 1.00 42.20 H new ATOM 0 HA LEU A 74 6.192 1.241 3.505 1.00 64.40 H new ATOM 0 HB2 LEU A 74 7.634 3.858 4.029 1.00 12.10 H new ATOM 0 HB3 LEU A 74 7.403 2.584 5.209 1.00 12.10 H new ATOM 0 HG LEU A 74 8.986 2.343 2.630 1.00 52.10 H new ATOM 0 HD11 LEU A 74 10.940 2.194 4.125 1.00 35.34 H new ATOM 0 HD12 LEU A 74 10.094 3.750 4.297 1.00 35.34 H new ATOM 0 HD13 LEU A 74 9.883 2.481 5.527 1.00 35.34 H new ATOM 0 HD21 LEU A 74 9.698 0.153 3.521 1.00 13.01 H new ATOM 0 HD22 LEU A 74 8.592 0.360 4.900 1.00 13.01 H new ATOM 0 HD23 LEU A 74 7.940 0.215 3.250 1.00 13.01 H new ATOM 1206 N VAL A 75 4.154 2.153 4.547 1.00 71.44 N ATOM 1207 CA VAL A 75 2.863 2.628 5.025 1.00 2.55 C ATOM 1208 C VAL A 75 2.613 2.210 6.467 1.00 54.13 C ATOM 1209 O VAL A 75 3.119 1.186 6.925 1.00 54.41 O ATOM 1210 CB VAL A 75 1.712 2.094 4.140 1.00 63.22 C ATOM 1211 CG1 VAL A 75 1.777 2.692 2.742 1.00 3.12 C ATOM 1212 CG2 VAL A 75 1.755 0.572 4.068 1.00 25.42 C ATOM 0 H VAL A 75 4.302 1.150 4.661 1.00 71.44 H new ATOM 0 HA VAL A 75 2.888 3.716 4.971 1.00 2.55 H new ATOM 0 HB VAL A 75 0.769 2.395 4.596 1.00 63.22 H new ATOM 0 HG11 VAL A 75 0.957 2.300 2.140 1.00 3.12 H new ATOM 0 HG12 VAL A 75 1.694 3.777 2.806 1.00 3.12 H new ATOM 0 HG13 VAL A 75 2.727 2.428 2.277 1.00 3.12 H new ATOM 0 HG21 VAL A 75 0.938 0.214 3.441 1.00 25.42 H new ATOM 0 HG22 VAL A 75 2.706 0.255 3.640 1.00 25.42 H new ATOM 0 HG23 VAL A 75 1.652 0.157 5.071 1.00 25.42 H new ATOM 1222 N GLU A 76 1.836 3.012 7.181 1.00 23.43 N ATOM 1223 CA GLU A 76 1.447 2.674 8.538 1.00 5.12 C ATOM 1224 C GLU A 76 0.133 1.908 8.512 1.00 4.31 C ATOM 1225 O GLU A 76 -0.770 2.237 7.742 1.00 73.53 O ATOM 1226 CB GLU A 76 1.314 3.927 9.407 1.00 73.52 C ATOM 1227 CG GLU A 76 0.194 4.868 8.986 1.00 22.14 C ATOM 1228 CD GLU A 76 -0.004 6.002 9.974 1.00 52.24 C ATOM 1229 OE1 GLU A 76 -0.047 5.728 11.192 1.00 21.35 O ATOM 1230 OE2 GLU A 76 -0.098 7.169 9.547 1.00 22.43 O ATOM 0 H GLU A 76 1.464 3.899 6.842 1.00 23.43 H new ATOM 0 HA GLU A 76 2.225 2.049 8.976 1.00 5.12 H new ATOM 0 HB2 GLU A 76 1.147 3.622 10.440 1.00 73.52 H new ATOM 0 HB3 GLU A 76 2.258 4.472 9.384 1.00 73.52 H new ATOM 0 HG2 GLU A 76 0.419 5.281 8.002 1.00 22.14 H new ATOM 0 HG3 GLU A 76 -0.735 4.305 8.891 1.00 22.14 H new ATOM 1237 N VAL A 77 0.034 0.880 9.333 1.00 3.42 N ATOM 1238 CA VAL A 77 -1.155 0.045 9.361 1.00 63.45 C ATOM 1239 C VAL A 77 -2.188 0.621 10.323 1.00 32.10 C ATOM 1240 O VAL A 77 -1.997 0.606 11.541 1.00 13.41 O ATOM 1241 CB VAL A 77 -0.818 -1.403 9.771 1.00 22.32 C ATOM 1242 CG1 VAL A 77 -2.036 -2.304 9.631 1.00 35.42 C ATOM 1243 CG2 VAL A 77 0.340 -1.938 8.940 1.00 13.01 C ATOM 0 H VAL A 77 0.762 0.602 9.991 1.00 3.42 H new ATOM 0 HA VAL A 77 -1.568 0.029 8.352 1.00 63.45 H new ATOM 0 HB VAL A 77 -0.518 -1.398 10.819 1.00 22.32 H new ATOM 0 HG11 VAL A 77 -1.773 -3.320 9.926 1.00 35.42 H new ATOM 0 HG12 VAL A 77 -2.837 -1.936 10.272 1.00 35.42 H new ATOM 0 HG13 VAL A 77 -2.372 -2.303 8.594 1.00 35.42 H new ATOM 0 HG21 VAL A 77 0.564 -2.961 9.243 1.00 13.01 H new ATOM 0 HG22 VAL A 77 0.068 -1.924 7.885 1.00 13.01 H new ATOM 0 HG23 VAL A 77 1.219 -1.313 9.096 1.00 13.01 H new ATOM 1253 N LEU A 78 -3.278 1.138 9.774 1.00 24.34 N ATOM 1254 CA LEU A 78 -4.327 1.749 10.583 1.00 44.34 C ATOM 1255 C LEU A 78 -5.205 0.682 11.220 1.00 20.41 C ATOM 1256 O LEU A 78 -5.813 0.896 12.268 1.00 10.15 O ATOM 1257 CB LEU A 78 -5.181 2.696 9.735 1.00 13.10 C ATOM 1258 CG LEU A 78 -4.419 3.836 9.049 1.00 45.54 C ATOM 1259 CD1 LEU A 78 -5.365 4.677 8.204 1.00 30.24 C ATOM 1260 CD2 LEU A 78 -3.712 4.704 10.080 1.00 4.31 C ATOM 0 H LEU A 78 -3.461 1.147 8.771 1.00 24.34 H new ATOM 0 HA LEU A 78 -3.849 2.325 11.375 1.00 44.34 H new ATOM 0 HB2 LEU A 78 -5.690 2.111 8.970 1.00 13.10 H new ATOM 0 HB3 LEU A 78 -5.953 3.129 10.371 1.00 13.10 H new ATOM 0 HG LEU A 78 -3.666 3.399 8.393 1.00 45.54 H new ATOM 0 HD11 LEU A 78 -4.807 5.481 7.725 1.00 30.24 H new ATOM 0 HD12 LEU A 78 -5.826 4.050 7.441 1.00 30.24 H new ATOM 0 HD13 LEU A 78 -6.141 5.103 8.841 1.00 30.24 H new ATOM 0 HD21 LEU A 78 -3.177 5.507 9.574 1.00 4.31 H new ATOM 0 HD22 LEU A 78 -4.447 5.131 10.762 1.00 4.31 H new ATOM 0 HD23 LEU A 78 -3.005 4.096 10.644 1.00 4.31 H new