USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 69 SER OG : rot -82:sc= 1.38! USER MOD Set 1.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 16 GLN : amide:sc= -4.72! C(o=-6.2!,f=-22!) USER MOD Set 2.2: C 85 MET CE :methyl -111:sc= -1.46 (180deg=0) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc=-0.00147 K(o=-0.0015,f=-1.9!) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.151 USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= 0.421 K(o=0.42,f=-0.37) USER MOD Single : C 21 LYS NZ :NH3+ 153:sc= -0.0992 (180deg=-0.24) USER MOD Single : C 35 CYS SG : rot 180:sc= -0.25 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot -91:sc= -0.178! USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 157:sc= -0.0187 (180deg=-0.345) USER MOD Single : C 45 MET CE :methyl 162:sc= -9.25! (180deg=-10.3!) USER MOD Single : C 47 MET CE :methyl -125:sc= -9.31! (180deg=-10.5!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= -0.574 K(o=-0.57,f=-2.8!) USER MOD Single : C 53 THR OG1 : rot -97:sc= 0.199 USER MOD Single : C 58 GLN : amide:sc= -1.1 X(o=-1.1,f=-1!) USER MOD Single : C 60 MET CE :methyl -115:sc=-0.00756 (180deg=-1.03) USER MOD Single : C 80 MET CE :methyl -130:sc= -0.41 (180deg=-1.03) USER MOD Single : C 81 MET CE :methyl -99:sc= -0.266 (180deg=-1.18) USER MOD Single : C 84 CYS SG : rot -33:sc= 0.477 USER MOD Single : I 3 SER OG : rot 180:sc= 0 USER MOD Single : I 7 MET CE :methyl -141:sc= -3.09 (180deg=-6.17!) USER MOD Single : I 8 MET CE :methyl 139:sc= -14.1! (180deg=-20.4!) USER MOD Single : I 9 GLN : amide:sc= -0.351 K(o=-0.35,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 56.579 -10.669 13.850 1.00 0.00 N ATOM 45 CA ILE C 4 55.123 -10.459 13.610 1.00 0.00 C ATOM 46 C ILE C 4 54.876 -10.017 12.165 1.00 0.00 C ATOM 47 O ILE C 4 53.893 -10.384 11.552 1.00 0.00 O ATOM 48 CB ILE C 4 54.720 -9.353 14.586 1.00 0.00 C ATOM 49 CG1 ILE C 4 53.235 -9.030 14.406 1.00 0.00 C ATOM 50 CG2 ILE C 4 55.551 -8.099 14.309 1.00 0.00 C ATOM 51 CD1 ILE C 4 52.827 -7.936 15.393 1.00 0.00 C ATOM 0 HA ILE C 4 54.545 -11.371 13.761 1.00 0.00 H new ATOM 0 HB ILE C 4 54.898 -9.688 15.608 1.00 0.00 H new ATOM 0 HG12 ILE C 4 53.045 -8.702 13.384 1.00 0.00 H new ATOM 0 HG13 ILE C 4 52.635 -9.925 14.570 1.00 0.00 H new ATOM 0 HG21 ILE C 4 55.263 -7.311 15.005 1.00 0.00 H new ATOM 0 HG22 ILE C 4 56.609 -8.328 14.437 1.00 0.00 H new ATOM 0 HG23 ILE C 4 55.374 -7.763 13.287 1.00 0.00 H new ATOM 0 HD11 ILE C 4 51.769 -7.706 15.265 1.00 0.00 H new ATOM 0 HD12 ILE C 4 53.002 -8.281 16.412 1.00 0.00 H new ATOM 0 HD13 ILE C 4 53.418 -7.039 15.207 1.00 0.00 H new ATOM 63 N TYR C 5 55.759 -9.228 11.616 1.00 0.00 N ATOM 64 CA TYR C 5 55.569 -8.760 10.213 1.00 0.00 C ATOM 65 C TYR C 5 56.148 -9.780 9.227 1.00 0.00 C ATOM 66 O TYR C 5 55.543 -10.096 8.221 1.00 0.00 O ATOM 67 CB TYR C 5 56.334 -7.439 10.134 1.00 0.00 C ATOM 68 CG TYR C 5 55.637 -6.406 10.989 1.00 0.00 C ATOM 69 CD1 TYR C 5 54.332 -6.005 10.677 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.295 -5.852 12.093 1.00 0.00 C ATOM 71 CE1 TYR C 5 53.686 -5.049 11.471 1.00 0.00 C ATOM 72 CE2 TYR C 5 55.649 -4.897 12.887 1.00 0.00 C ATOM 73 CZ TYR C 5 54.343 -4.496 12.576 1.00 0.00 C ATOM 74 OH TYR C 5 53.706 -3.554 13.358 1.00 0.00 O ATOM 0 H TYR C 5 56.603 -8.888 12.077 1.00 0.00 H new ATOM 0 HA TYR C 5 54.517 -8.639 9.956 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.360 -7.579 10.476 1.00 0.00 H new ATOM 0 HB3 TYR C 5 56.386 -7.097 9.100 1.00 0.00 H new ATOM 0 HD1 TYR C 5 53.824 -6.432 9.825 1.00 0.00 H new ATOM 0 HD2 TYR C 5 57.302 -6.161 12.333 1.00 0.00 H new ATOM 0 HE1 TYR C 5 52.680 -4.738 11.230 1.00 0.00 H new ATOM 0 HE2 TYR C 5 56.157 -4.470 13.739 1.00 0.00 H new ATOM 0 HH TYR C 5 54.302 -3.274 14.084 1.00 0.00 H new ATOM 84 N LYS C 6 57.313 -10.299 9.505 1.00 0.00 N ATOM 85 CA LYS C 6 57.923 -11.298 8.580 1.00 0.00 C ATOM 86 C LYS C 6 56.924 -12.418 8.279 1.00 0.00 C ATOM 87 O LYS C 6 57.040 -13.119 7.295 1.00 0.00 O ATOM 88 CB LYS C 6 59.136 -11.847 9.332 1.00 0.00 C ATOM 89 CG LYS C 6 60.241 -10.790 9.357 1.00 0.00 C ATOM 90 CD LYS C 6 61.300 -11.181 10.389 1.00 0.00 C ATOM 91 CE LYS C 6 62.625 -10.493 10.050 1.00 0.00 C ATOM 92 NZ LYS C 6 63.578 -10.960 11.094 1.00 0.00 N ATOM 0 H LYS C 6 57.868 -10.075 10.331 1.00 0.00 H new ATOM 0 HA LYS C 6 58.203 -10.858 7.623 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.854 -12.118 10.349 1.00 0.00 H new ATOM 0 HB3 LYS C 6 59.497 -12.755 8.848 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.695 -10.701 8.370 1.00 0.00 H new ATOM 0 HG3 LYS C 6 59.820 -9.815 9.604 1.00 0.00 H new ATOM 0 HD2 LYS C 6 60.973 -10.892 11.388 1.00 0.00 H new ATOM 0 HD3 LYS C 6 61.432 -12.263 10.398 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.968 -10.766 9.052 1.00 0.00 H new ATOM 0 HE3 LYS C 6 62.522 -9.408 10.066 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 64.511 -10.531 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 63.229 -10.680 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 63.661 -11.996 11.050 1.00 0.00 H new ATOM 106 N ALA C 7 55.940 -12.588 9.121 1.00 0.00 N ATOM 107 CA ALA C 7 54.932 -13.662 8.881 1.00 0.00 C ATOM 108 C ALA C 7 54.050 -13.297 7.684 1.00 0.00 C ATOM 109 O ALA C 7 53.904 -14.063 6.752 1.00 0.00 O ATOM 110 CB ALA C 7 54.102 -13.717 10.165 1.00 0.00 C ATOM 0 H ALA C 7 55.790 -12.031 9.963 1.00 0.00 H new ATOM 0 HA ALA C 7 55.394 -14.623 8.654 1.00 0.00 H new ATOM 0 HB1 ALA C 7 53.335 -14.485 10.070 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.751 -13.955 11.008 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.628 -12.750 10.334 1.00 0.00 H new ATOM 116 N ALA C 8 53.461 -12.133 7.702 1.00 0.00 N ATOM 117 CA ALA C 8 52.590 -11.719 6.566 1.00 0.00 C ATOM 118 C ALA C 8 53.381 -11.751 5.256 1.00 0.00 C ATOM 119 O ALA C 8 52.936 -12.290 4.262 1.00 0.00 O ATOM 120 CB ALA C 8 52.161 -10.290 6.898 1.00 0.00 C ATOM 0 H ALA C 8 53.545 -11.450 8.455 1.00 0.00 H new ATOM 0 HA ALA C 8 51.735 -12.382 6.437 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.514 -9.911 6.107 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.619 -10.283 7.844 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.043 -9.655 6.981 1.00 0.00 H new ATOM 126 N VAL C 9 54.553 -11.178 5.247 1.00 0.00 N ATOM 127 CA VAL C 9 55.374 -11.175 4.002 1.00 0.00 C ATOM 128 C VAL C 9 55.463 -12.589 3.424 1.00 0.00 C ATOM 129 O VAL C 9 55.091 -12.832 2.293 1.00 0.00 O ATOM 130 CB VAL C 9 56.754 -10.686 4.444 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.630 -10.444 3.215 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.602 -9.379 5.226 1.00 0.00 C ATOM 0 H VAL C 9 54.978 -10.711 6.048 1.00 0.00 H new ATOM 0 HA VAL C 9 54.946 -10.543 3.224 1.00 0.00 H new ATOM 0 HB VAL C 9 57.221 -11.440 5.078 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.613 -10.096 3.532 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.737 -11.374 2.656 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.165 -9.690 2.580 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.584 -9.028 5.542 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.135 -8.627 4.590 1.00 0.00 H new ATOM 0 HG23 VAL C 9 55.978 -9.550 6.103 1.00 0.00 H new ATOM 142 N GLU C 10 55.952 -13.524 4.191 1.00 0.00 N ATOM 143 CA GLU C 10 56.064 -14.922 3.684 1.00 0.00 C ATOM 144 C GLU C 10 54.698 -15.424 3.207 1.00 0.00 C ATOM 145 O GLU C 10 54.605 -16.322 2.393 1.00 0.00 O ATOM 146 CB GLU C 10 56.542 -15.740 4.884 1.00 0.00 C ATOM 147 CG GLU C 10 58.017 -15.439 5.153 1.00 0.00 C ATOM 148 CD GLU C 10 58.891 -16.351 4.289 1.00 0.00 C ATOM 149 OE1 GLU C 10 58.334 -17.092 3.495 1.00 0.00 O ATOM 150 OE2 GLU C 10 60.100 -16.291 4.435 1.00 0.00 O ATOM 0 H GLU C 10 56.279 -13.381 5.147 1.00 0.00 H new ATOM 0 HA GLU C 10 56.746 -15.000 2.837 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.945 -15.498 5.763 1.00 0.00 H new ATOM 0 HB3 GLU C 10 56.407 -16.804 4.689 1.00 0.00 H new ATOM 0 HG2 GLU C 10 58.232 -14.394 4.930 1.00 0.00 H new ATOM 0 HG3 GLU C 10 58.244 -15.593 6.208 1.00 0.00 H new ATOM 157 N GLN C 11 53.638 -14.854 3.709 1.00 0.00 N ATOM 158 CA GLN C 11 52.279 -15.302 3.287 1.00 0.00 C ATOM 159 C GLN C 11 51.613 -14.237 2.413 1.00 0.00 C ATOM 160 O GLN C 11 50.403 -14.145 2.347 1.00 0.00 O ATOM 161 CB GLN C 11 51.499 -15.478 4.587 1.00 0.00 C ATOM 162 CG GLN C 11 52.100 -16.629 5.397 1.00 0.00 C ATOM 163 CD GLN C 11 51.175 -16.968 6.567 1.00 0.00 C ATOM 164 OE1 GLN C 11 50.073 -16.462 6.652 1.00 0.00 O ATOM 165 NE2 GLN C 11 51.577 -17.810 7.479 1.00 0.00 N ATOM 0 H GLN C 11 53.653 -14.098 4.393 1.00 0.00 H new ATOM 0 HA GLN C 11 52.316 -16.220 2.700 1.00 0.00 H new ATOM 0 HB2 GLN C 11 51.530 -14.557 5.168 1.00 0.00 H new ATOM 0 HB3 GLN C 11 50.451 -15.683 4.369 1.00 0.00 H new ATOM 0 HG2 GLN C 11 52.235 -17.504 4.761 1.00 0.00 H new ATOM 0 HG3 GLN C 11 53.086 -16.350 5.768 1.00 0.00 H new ATOM 0 HE21 GLN C 11 52.501 -18.235 7.409 1.00 0.00 H new ATOM 0 HE22 GLN C 11 50.967 -18.043 8.262 1.00 0.00 H new ATOM 174 N LEU C 12 52.388 -13.429 1.745 1.00 0.00 N ATOM 175 CA LEU C 12 51.785 -12.374 0.883 1.00 0.00 C ATOM 176 C LEU C 12 51.042 -13.012 -0.295 1.00 0.00 C ATOM 177 O LEU C 12 51.089 -14.210 -0.495 1.00 0.00 O ATOM 178 CB LEU C 12 52.966 -11.538 0.387 1.00 0.00 C ATOM 179 CG LEU C 12 53.091 -10.273 1.240 1.00 0.00 C ATOM 180 CD1 LEU C 12 54.277 -9.441 0.749 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.807 -9.450 1.119 1.00 0.00 C ATOM 0 H LEU C 12 53.408 -13.453 1.758 1.00 0.00 H new ATOM 0 HA LEU C 12 51.059 -11.767 1.423 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.886 -12.120 0.443 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.822 -11.271 -0.660 1.00 0.00 H new ATOM 0 HG LEU C 12 53.249 -10.551 2.282 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.366 -8.540 1.356 1.00 0.00 H new ATOM 0 HD12 LEU C 12 55.192 -10.027 0.833 1.00 0.00 H new ATOM 0 HD13 LEU C 12 54.119 -9.162 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU C 12 51.894 -8.549 1.726 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.650 -9.172 0.077 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.961 -10.042 1.468 1.00 0.00 H new ATOM 193 N THR C 13 50.354 -12.222 -1.074 1.00 0.00 N ATOM 194 CA THR C 13 49.607 -12.785 -2.235 1.00 0.00 C ATOM 195 C THR C 13 50.301 -12.408 -3.547 1.00 0.00 C ATOM 196 O THR C 13 50.832 -11.323 -3.689 1.00 0.00 O ATOM 197 CB THR C 13 48.220 -12.145 -2.162 1.00 0.00 C ATOM 198 OG1 THR C 13 48.338 -10.825 -1.647 1.00 0.00 O ATOM 199 CG2 THR C 13 47.319 -12.972 -1.245 1.00 0.00 C ATOM 0 H THR C 13 50.277 -11.212 -0.957 1.00 0.00 H new ATOM 0 HA THR C 13 49.558 -13.873 -2.203 1.00 0.00 H new ATOM 0 HB THR C 13 47.783 -12.111 -3.160 1.00 0.00 H new ATOM 0 HG1 THR C 13 47.451 -10.411 -1.601 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.331 -12.513 -1.195 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.229 -13.984 -1.639 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.753 -13.009 -0.246 1.00 0.00 H new ATOM 207 N GLU C 14 50.300 -13.292 -4.506 1.00 0.00 N ATOM 208 CA GLU C 14 50.959 -12.981 -5.806 1.00 0.00 C ATOM 209 C GLU C 14 50.452 -11.639 -6.345 1.00 0.00 C ATOM 210 O GLU C 14 51.132 -10.962 -7.090 1.00 0.00 O ATOM 211 CB GLU C 14 50.554 -14.122 -6.741 1.00 0.00 C ATOM 212 CG GLU C 14 51.750 -15.048 -6.964 1.00 0.00 C ATOM 213 CD GLU C 14 52.010 -15.863 -5.694 1.00 0.00 C ATOM 214 OE1 GLU C 14 51.468 -15.503 -4.662 1.00 0.00 O ATOM 215 OE2 GLU C 14 52.746 -16.832 -5.775 1.00 0.00 O ATOM 0 H GLU C 14 49.872 -14.216 -4.446 1.00 0.00 H new ATOM 0 HA GLU C 14 52.042 -12.899 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.723 -14.681 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.209 -13.720 -7.694 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.555 -15.715 -7.803 1.00 0.00 H new ATOM 0 HG3 GLU C 14 52.633 -14.463 -7.220 1.00 0.00 H new ATOM 222 N GLU C 15 49.264 -11.250 -5.971 1.00 0.00 N ATOM 223 CA GLU C 15 48.716 -9.953 -6.459 1.00 0.00 C ATOM 224 C GLU C 15 49.347 -8.791 -5.687 1.00 0.00 C ATOM 225 O GLU C 15 49.683 -7.769 -6.249 1.00 0.00 O ATOM 226 CB GLU C 15 47.213 -10.027 -6.182 1.00 0.00 C ATOM 227 CG GLU C 15 46.550 -10.944 -7.210 1.00 0.00 C ATOM 228 CD GLU C 15 45.818 -10.099 -8.253 1.00 0.00 C ATOM 229 OE1 GLU C 15 46.030 -8.898 -8.269 1.00 0.00 O ATOM 230 OE2 GLU C 15 45.057 -10.667 -9.019 1.00 0.00 O ATOM 0 H GLU C 15 48.649 -11.774 -5.349 1.00 0.00 H new ATOM 0 HA GLU C 15 48.927 -9.786 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU C 15 47.036 -10.404 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.774 -9.031 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU C 15 47.301 -11.568 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU C 15 45.849 -11.616 -6.715 1.00 0.00 H new ATOM 237 N GLN C 16 49.514 -8.944 -4.401 1.00 0.00 N ATOM 238 CA GLN C 16 50.127 -7.850 -3.595 1.00 0.00 C ATOM 239 C GLN C 16 51.551 -7.575 -4.081 1.00 0.00 C ATOM 240 O GLN C 16 51.917 -6.449 -4.360 1.00 0.00 O ATOM 241 CB GLN C 16 50.141 -8.376 -2.159 1.00 0.00 C ATOM 242 CG GLN C 16 50.839 -7.360 -1.251 1.00 0.00 C ATOM 243 CD GLN C 16 49.917 -7.003 -0.083 1.00 0.00 C ATOM 244 OE1 GLN C 16 49.899 -7.685 0.923 1.00 0.00 O ATOM 245 NE2 GLN C 16 49.146 -5.954 -0.173 1.00 0.00 N ATOM 0 H GLN C 16 49.253 -9.778 -3.875 1.00 0.00 H new ATOM 0 HA GLN C 16 49.575 -6.914 -3.679 1.00 0.00 H new ATOM 0 HB2 GLN C 16 49.122 -8.549 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.659 -9.334 -2.116 1.00 0.00 H new ATOM 0 HG2 GLN C 16 51.775 -7.774 -0.876 1.00 0.00 H new ATOM 0 HG3 GLN C 16 51.091 -6.463 -1.817 1.00 0.00 H new ATOM 0 HE21 GLN C 16 49.161 -5.381 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN C 16 48.529 -5.707 0.601 1.00 0.00 H new ATOM 254 N LYS C 17 52.359 -8.594 -4.187 1.00 0.00 N ATOM 255 CA LYS C 17 53.759 -8.391 -4.658 1.00 0.00 C ATOM 256 C LYS C 17 53.777 -7.462 -5.875 1.00 0.00 C ATOM 257 O LYS C 17 54.571 -6.547 -5.958 1.00 0.00 O ATOM 258 CB LYS C 17 54.255 -9.786 -5.040 1.00 0.00 C ATOM 259 CG LYS C 17 55.642 -10.020 -4.440 1.00 0.00 C ATOM 260 CD LYS C 17 55.624 -11.293 -3.592 1.00 0.00 C ATOM 261 CE LYS C 17 56.830 -12.164 -3.952 1.00 0.00 C ATOM 262 NZ LYS C 17 57.115 -12.954 -2.722 1.00 0.00 N ATOM 0 H LYS C 17 52.111 -9.559 -3.968 1.00 0.00 H new ATOM 0 HA LYS C 17 54.388 -7.930 -3.897 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.559 -10.542 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS C 17 54.296 -9.884 -6.125 1.00 0.00 H new ATOM 0 HG2 LYS C 17 56.383 -10.110 -5.234 1.00 0.00 H new ATOM 0 HG3 LYS C 17 55.934 -9.167 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS C 17 55.650 -11.037 -2.533 1.00 0.00 H new ATOM 0 HD3 LYS C 17 54.700 -11.844 -3.764 1.00 0.00 H new ATOM 0 HE2 LYS C 17 56.608 -12.816 -4.797 1.00 0.00 H new ATOM 0 HE3 LYS C 17 57.687 -11.554 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 57.931 -13.577 -2.891 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 57.329 -12.307 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 56.284 -13.530 -2.479 1.00 0.00 H new ATOM 276 N ASN C 18 52.903 -7.691 -6.818 1.00 0.00 N ATOM 277 CA ASN C 18 52.869 -6.818 -8.027 1.00 0.00 C ATOM 278 C ASN C 18 52.636 -5.361 -7.618 1.00 0.00 C ATOM 279 O ASN C 18 53.109 -4.442 -8.256 1.00 0.00 O ATOM 280 CB ASN C 18 51.694 -7.336 -8.857 1.00 0.00 C ATOM 281 CG ASN C 18 52.136 -8.562 -9.658 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.904 -8.448 -10.593 1.00 0.00 O ATOM 283 ND2 ASN C 18 51.679 -9.740 -9.329 1.00 0.00 N ATOM 0 H ASN C 18 52.213 -8.442 -6.804 1.00 0.00 H new ATOM 0 HA ASN C 18 53.805 -6.847 -8.585 1.00 0.00 H new ATOM 0 HB2 ASN C 18 50.861 -7.596 -8.204 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.340 -6.556 -9.531 1.00 0.00 H new ATOM 0 HD21 ASN C 18 51.967 -10.564 -9.857 1.00 0.00 H new ATOM 0 HD22 ASN C 18 51.034 -9.836 -8.544 1.00 0.00 H new ATOM 290 N GLU C 19 51.912 -5.145 -6.553 1.00 0.00 N ATOM 291 CA GLU C 19 51.650 -3.750 -6.099 1.00 0.00 C ATOM 292 C GLU C 19 52.912 -3.155 -5.470 1.00 0.00 C ATOM 293 O GLU C 19 53.242 -2.005 -5.684 1.00 0.00 O ATOM 294 CB GLU C 19 50.542 -3.877 -5.052 1.00 0.00 C ATOM 295 CG GLU C 19 49.275 -3.188 -5.562 1.00 0.00 C ATOM 296 CD GLU C 19 48.656 -2.360 -4.434 1.00 0.00 C ATOM 297 OE1 GLU C 19 48.662 -2.831 -3.308 1.00 0.00 O ATOM 298 OE2 GLU C 19 48.188 -1.270 -4.714 1.00 0.00 O ATOM 0 H GLU C 19 51.491 -5.875 -5.978 1.00 0.00 H new ATOM 0 HA GLU C 19 51.363 -3.095 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.340 -4.928 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU C 19 50.861 -3.425 -4.113 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.513 -2.546 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU C 19 48.561 -3.932 -5.916 1.00 0.00 H new ATOM 305 N PHE C 20 53.619 -3.929 -4.693 1.00 0.00 N ATOM 306 CA PHE C 20 54.858 -3.409 -4.048 1.00 0.00 C ATOM 307 C PHE C 20 56.008 -3.369 -5.059 1.00 0.00 C ATOM 308 O PHE C 20 56.784 -2.434 -5.093 1.00 0.00 O ATOM 309 CB PHE C 20 55.163 -4.404 -2.927 1.00 0.00 C ATOM 310 CG PHE C 20 54.243 -4.142 -1.759 1.00 0.00 C ATOM 311 CD1 PHE C 20 54.210 -2.875 -1.164 1.00 0.00 C ATOM 312 CD2 PHE C 20 53.420 -5.166 -1.273 1.00 0.00 C ATOM 313 CE1 PHE C 20 53.356 -2.633 -0.082 1.00 0.00 C ATOM 314 CE2 PHE C 20 52.566 -4.922 -0.191 1.00 0.00 C ATOM 315 CZ PHE C 20 52.533 -3.656 0.405 1.00 0.00 C ATOM 0 H PHE C 20 53.392 -4.900 -4.477 1.00 0.00 H new ATOM 0 HA PHE C 20 54.734 -2.393 -3.672 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.031 -5.425 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.203 -4.308 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE C 20 54.843 -2.085 -1.540 1.00 0.00 H new ATOM 0 HD2 PHE C 20 53.444 -6.143 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE C 20 53.332 -1.656 0.378 1.00 0.00 H new ATOM 0 HE2 PHE C 20 51.932 -5.712 0.184 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.874 -3.468 1.239 1.00 0.00 H new ATOM 325 N LYS C 21 56.127 -4.376 -5.882 1.00 0.00 N ATOM 326 CA LYS C 21 57.231 -4.390 -6.886 1.00 0.00 C ATOM 327 C LYS C 21 57.326 -3.031 -7.587 1.00 0.00 C ATOM 328 O LYS C 21 58.382 -2.622 -8.027 1.00 0.00 O ATOM 329 CB LYS C 21 56.854 -5.498 -7.875 1.00 0.00 C ATOM 330 CG LYS C 21 55.822 -4.975 -8.879 1.00 0.00 C ATOM 331 CD LYS C 21 56.545 -4.395 -10.096 1.00 0.00 C ATOM 332 CE LYS C 21 56.959 -5.529 -11.037 1.00 0.00 C ATOM 333 NZ LYS C 21 58.448 -5.499 -11.043 1.00 0.00 N ATOM 0 H LYS C 21 55.510 -5.188 -5.903 1.00 0.00 H new ATOM 0 HA LYS C 21 58.205 -4.573 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS C 21 57.743 -5.844 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.448 -6.355 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS C 21 55.157 -5.782 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS C 21 55.200 -4.210 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS C 21 55.894 -3.695 -10.619 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.424 -3.835 -9.777 1.00 0.00 H new ATOM 0 HE2 LYS C 21 56.585 -6.490 -10.685 1.00 0.00 H new ATOM 0 HE3 LYS C 21 56.557 -5.378 -12.039 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 58.814 -6.449 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.779 -4.831 -11.768 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.793 -5.196 -10.110 1.00 0.00 H new ATOM 347 N ALA C 22 56.231 -2.329 -7.693 1.00 0.00 N ATOM 348 CA ALA C 22 56.264 -0.998 -8.365 1.00 0.00 C ATOM 349 C ALA C 22 57.190 -0.048 -7.602 1.00 0.00 C ATOM 350 O ALA C 22 58.227 0.351 -8.093 1.00 0.00 O ATOM 351 CB ALA C 22 54.821 -0.494 -8.319 1.00 0.00 C ATOM 0 H ALA C 22 55.317 -2.618 -7.345 1.00 0.00 H new ATOM 0 HA ALA C 22 56.640 -1.058 -9.386 1.00 0.00 H new ATOM 0 HB1 ALA C 22 54.762 0.484 -8.796 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.174 -1.195 -8.847 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.497 -0.412 -7.281 1.00 0.00 H new ATOM 357 N ALA C 23 56.824 0.317 -6.403 1.00 0.00 N ATOM 358 CA ALA C 23 57.687 1.240 -5.611 1.00 0.00 C ATOM 359 C ALA C 23 59.112 0.685 -5.525 1.00 0.00 C ATOM 360 O ALA C 23 60.077 1.422 -5.537 1.00 0.00 O ATOM 361 CB ALA C 23 57.044 1.292 -4.224 1.00 0.00 C ATOM 0 H ALA C 23 55.967 0.017 -5.938 1.00 0.00 H new ATOM 0 HA ALA C 23 57.759 2.230 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.623 1.953 -3.579 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.025 1.669 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.026 0.291 -3.794 1.00 0.00 H new ATOM 367 N PHE C 24 59.249 -0.611 -5.444 1.00 0.00 N ATOM 368 CA PHE C 24 60.611 -1.211 -5.364 1.00 0.00 C ATOM 369 C PHE C 24 61.418 -0.836 -6.609 1.00 0.00 C ATOM 370 O PHE C 24 62.562 -0.436 -6.524 1.00 0.00 O ATOM 371 CB PHE C 24 60.379 -2.721 -5.307 1.00 0.00 C ATOM 372 CG PHE C 24 61.685 -3.423 -5.024 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.519 -2.964 -3.997 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.064 -4.534 -5.789 1.00 0.00 C ATOM 375 CE1 PHE C 24 63.730 -3.615 -3.735 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.275 -5.185 -5.526 1.00 0.00 C ATOM 377 CZ PHE C 24 64.108 -4.725 -4.498 1.00 0.00 C ATOM 0 H PHE C 24 58.478 -1.279 -5.430 1.00 0.00 H new ATOM 0 HA PHE C 24 61.172 -0.857 -4.499 1.00 0.00 H new ATOM 0 HB2 PHE C 24 59.651 -2.958 -4.531 1.00 0.00 H new ATOM 0 HB3 PHE C 24 59.963 -3.071 -6.252 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.228 -2.108 -3.407 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.422 -4.888 -6.582 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.373 -3.260 -2.943 1.00 0.00 H new ATOM 0 HE2 PHE C 24 63.567 -6.042 -6.115 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.042 -5.227 -4.294 1.00 0.00 H new ATOM 387 N ASP C 25 60.827 -0.959 -7.766 1.00 0.00 N ATOM 388 CA ASP C 25 61.556 -0.603 -9.016 1.00 0.00 C ATOM 389 C ASP C 25 61.999 0.861 -8.961 1.00 0.00 C ATOM 390 O ASP C 25 63.131 1.189 -9.255 1.00 0.00 O ATOM 391 CB ASP C 25 60.544 -0.817 -10.142 1.00 0.00 C ATOM 392 CG ASP C 25 60.888 -2.101 -10.898 1.00 0.00 C ATOM 393 OD1 ASP C 25 60.815 -3.159 -10.296 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.220 -2.005 -12.069 1.00 0.00 O ATOM 0 H ASP C 25 59.872 -1.290 -7.900 1.00 0.00 H new ATOM 0 HA ASP C 25 62.453 -1.205 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP C 25 59.536 -0.882 -9.732 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.557 0.034 -10.823 1.00 0.00 H new ATOM 399 N ILE C 26 61.115 1.742 -8.578 1.00 0.00 N ATOM 400 CA ILE C 26 61.485 3.183 -8.496 1.00 0.00 C ATOM 401 C ILE C 26 62.423 3.411 -7.308 1.00 0.00 C ATOM 402 O ILE C 26 63.323 4.225 -7.360 1.00 0.00 O ATOM 403 CB ILE C 26 60.163 3.922 -8.287 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.334 3.852 -9.570 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.443 5.385 -7.940 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.435 2.617 -9.527 1.00 0.00 C ATOM 0 H ILE C 26 60.153 1.526 -8.318 1.00 0.00 H new ATOM 0 HA ILE C 26 62.005 3.531 -9.388 1.00 0.00 H new ATOM 0 HB ILE C 26 59.612 3.456 -7.470 1.00 0.00 H new ATOM 0 HG12 ILE C 26 58.729 4.752 -9.674 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.991 3.807 -10.439 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.500 5.911 -7.791 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.035 5.435 -7.026 1.00 0.00 H new ATOM 0 HG23 ILE C 26 60.995 5.853 -8.755 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.843 2.566 -10.441 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.051 1.722 -9.443 1.00 0.00 H new ATOM 0 HD13 ILE C 26 57.769 2.682 -8.667 1.00 0.00 H new ATOM 418 N PHE C 27 62.220 2.690 -6.239 1.00 0.00 N ATOM 419 CA PHE C 27 63.099 2.856 -5.048 1.00 0.00 C ATOM 420 C PHE C 27 64.563 2.644 -5.444 1.00 0.00 C ATOM 421 O PHE C 27 65.459 3.245 -4.888 1.00 0.00 O ATOM 422 CB PHE C 27 62.646 1.770 -4.071 1.00 0.00 C ATOM 423 CG PHE C 27 61.972 2.411 -2.882 1.00 0.00 C ATOM 424 CD1 PHE C 27 60.996 3.395 -3.077 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.324 2.022 -1.585 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.371 3.990 -1.975 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.700 2.617 -0.482 1.00 0.00 C ATOM 428 CZ PHE C 27 60.723 3.601 -0.677 1.00 0.00 C ATOM 0 H PHE C 27 61.482 1.993 -6.140 1.00 0.00 H new ATOM 0 HA PHE C 27 63.027 3.853 -4.613 1.00 0.00 H new ATOM 0 HB2 PHE C 27 61.958 1.084 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.502 1.181 -3.743 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.725 3.695 -4.078 1.00 0.00 H new ATOM 0 HD2 PHE C 27 63.077 1.263 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.618 4.749 -2.126 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.972 2.317 0.519 1.00 0.00 H new ATOM 0 HZ PHE C 27 60.241 4.060 0.174 1.00 0.00 H new ATOM 438 N VAL C 28 64.807 1.794 -6.404 1.00 0.00 N ATOM 439 CA VAL C 28 66.210 1.539 -6.843 1.00 0.00 C ATOM 440 C VAL C 28 66.422 2.080 -8.260 1.00 0.00 C ATOM 441 O VAL C 28 67.401 1.774 -8.912 1.00 0.00 O ATOM 442 CB VAL C 28 66.357 0.018 -6.823 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.980 -0.513 -5.438 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.427 -0.598 -7.872 1.00 0.00 C ATOM 0 H VAL C 28 64.094 1.264 -6.905 1.00 0.00 H new ATOM 0 HA VAL C 28 66.943 2.028 -6.201 1.00 0.00 H new ATOM 0 HB VAL C 28 67.389 -0.249 -7.048 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.085 -1.598 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.639 -0.075 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.947 -0.245 -5.214 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.531 -1.683 -7.858 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.395 -0.330 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL C 28 65.692 -0.220 -8.860 1.00 0.00 H new ATOM 454 N LEU C 29 65.511 2.882 -8.740 1.00 0.00 N ATOM 455 CA LEU C 29 65.659 3.442 -10.115 1.00 0.00 C ATOM 456 C LEU C 29 67.090 3.941 -10.333 1.00 0.00 C ATOM 457 O LEU C 29 67.571 4.013 -11.446 1.00 0.00 O ATOM 458 CB LEU C 29 64.669 4.606 -10.176 1.00 0.00 C ATOM 459 CG LEU C 29 64.016 4.650 -11.559 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.162 5.914 -11.683 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.105 4.665 -12.635 1.00 0.00 C ATOM 0 H LEU C 29 64.671 3.174 -8.240 1.00 0.00 H new ATOM 0 HA LEU C 29 65.463 2.698 -10.887 1.00 0.00 H new ATOM 0 HB2 LEU C 29 63.907 4.489 -9.406 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.184 5.546 -9.975 1.00 0.00 H new ATOM 0 HG LEU C 29 63.384 3.771 -11.690 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.698 5.944 -12.669 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.387 5.906 -10.917 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.793 6.793 -11.552 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.642 4.696 -13.621 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.736 5.544 -12.502 1.00 0.00 H new ATOM 0 HD23 LEU C 29 65.714 3.765 -12.549 1.00 0.00 H new ATOM 473 N GLY C 30 67.776 4.286 -9.276 1.00 0.00 N ATOM 474 CA GLY C 30 69.175 4.778 -9.423 1.00 0.00 C ATOM 475 C GLY C 30 70.145 3.735 -8.869 1.00 0.00 C ATOM 476 O GLY C 30 71.223 4.058 -8.409 1.00 0.00 O ATOM 0 H GLY C 30 67.428 4.248 -8.318 1.00 0.00 H new ATOM 0 HA2 GLY C 30 69.395 4.972 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.297 5.722 -8.892 1.00 0.00 H new ATOM 480 N ALA C 31 69.773 2.485 -8.908 1.00 0.00 N ATOM 481 CA ALA C 31 70.677 1.422 -8.383 1.00 0.00 C ATOM 482 C ALA C 31 71.083 0.469 -9.510 1.00 0.00 C ATOM 483 O ALA C 31 70.374 0.306 -10.483 1.00 0.00 O ATOM 484 CB ALA C 31 69.853 0.685 -7.327 1.00 0.00 C ATOM 0 H ALA C 31 68.883 2.154 -9.280 1.00 0.00 H new ATOM 0 HA ALA C 31 71.597 1.832 -7.967 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.451 -0.116 -6.892 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.557 1.383 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA C 31 68.962 0.261 -7.791 1.00 0.00 H new ATOM 490 N GLU C 32 72.218 -0.162 -9.385 1.00 0.00 N ATOM 491 CA GLU C 32 72.669 -1.104 -10.449 1.00 0.00 C ATOM 492 C GLU C 32 72.731 -2.530 -9.897 1.00 0.00 C ATOM 493 O GLU C 32 73.250 -3.429 -10.530 1.00 0.00 O ATOM 494 CB GLU C 32 74.066 -0.620 -10.840 1.00 0.00 C ATOM 495 CG GLU C 32 74.021 0.880 -11.143 1.00 0.00 C ATOM 496 CD GLU C 32 74.558 1.133 -12.553 1.00 0.00 C ATOM 497 OE1 GLU C 32 74.625 0.186 -13.320 1.00 0.00 O ATOM 498 OE2 GLU C 32 74.895 2.269 -12.842 1.00 0.00 O ATOM 0 H GLU C 32 72.853 -0.066 -8.592 1.00 0.00 H new ATOM 0 HA GLU C 32 71.990 -1.121 -11.302 1.00 0.00 H new ATOM 0 HB2 GLU C 32 74.770 -0.817 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU C 32 74.421 -1.168 -11.713 1.00 0.00 H new ATOM 0 HG2 GLU C 32 72.998 1.248 -11.061 1.00 0.00 H new ATOM 0 HG3 GLU C 32 74.616 1.427 -10.412 1.00 0.00 H new ATOM 505 N ASP C 33 72.206 -2.745 -8.721 1.00 0.00 N ATOM 506 CA ASP C 33 72.236 -4.112 -8.128 1.00 0.00 C ATOM 507 C ASP C 33 70.823 -4.548 -7.734 1.00 0.00 C ATOM 508 O ASP C 33 70.493 -5.717 -7.759 1.00 0.00 O ATOM 509 CB ASP C 33 73.121 -3.987 -6.888 1.00 0.00 C ATOM 510 CG ASP C 33 74.196 -5.073 -6.914 1.00 0.00 C ATOM 511 OD1 ASP C 33 73.966 -6.090 -7.549 1.00 0.00 O ATOM 512 OD2 ASP C 33 75.231 -4.872 -6.300 1.00 0.00 O ATOM 0 H ASP C 33 71.757 -2.032 -8.145 1.00 0.00 H new ATOM 0 HA ASP C 33 72.616 -4.857 -8.827 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.586 -3.002 -6.858 1.00 0.00 H new ATOM 0 HB3 ASP C 33 72.516 -4.081 -5.986 1.00 0.00 H new ATOM 517 N GLY C 34 69.986 -3.617 -7.369 1.00 0.00 N ATOM 518 CA GLY C 34 68.595 -3.976 -6.973 1.00 0.00 C ATOM 519 C GLY C 34 68.419 -3.745 -5.472 1.00 0.00 C ATOM 520 O GLY C 34 67.704 -4.462 -4.802 1.00 0.00 O ATOM 0 H GLY C 34 70.205 -2.622 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY C 34 67.879 -3.373 -7.531 1.00 0.00 H new ATOM 0 HA3 GLY C 34 68.393 -5.019 -7.218 1.00 0.00 H new ATOM 524 N CYS C 35 69.066 -2.744 -4.941 1.00 0.00 N ATOM 525 CA CYS C 35 68.938 -2.463 -3.483 1.00 0.00 C ATOM 526 C CYS C 35 68.624 -0.981 -3.260 1.00 0.00 C ATOM 527 O CYS C 35 68.449 -0.226 -4.196 1.00 0.00 O ATOM 528 CB CYS C 35 70.303 -2.815 -2.889 1.00 0.00 C ATOM 529 SG CYS C 35 70.665 -4.561 -3.202 1.00 0.00 S ATOM 0 H CYS C 35 69.678 -2.109 -5.454 1.00 0.00 H new ATOM 0 HA CYS C 35 68.133 -3.035 -3.021 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.077 -2.187 -3.331 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.307 -2.618 -1.817 1.00 0.00 H new ATOM 0 HG CYS C 35 71.826 -4.860 -2.699 1.00 0.00 H new ATOM 535 N ILE C 36 68.554 -0.559 -2.029 1.00 0.00 N ATOM 536 CA ILE C 36 68.255 0.873 -1.751 1.00 0.00 C ATOM 537 C ILE C 36 69.290 1.445 -0.777 1.00 0.00 C ATOM 538 O ILE C 36 69.827 0.744 0.058 1.00 0.00 O ATOM 539 CB ILE C 36 66.860 0.877 -1.126 1.00 0.00 C ATOM 540 CG1 ILE C 36 65.892 0.112 -2.035 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.375 2.320 -0.970 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.725 -0.426 -1.204 1.00 0.00 C ATOM 0 H ILE C 36 68.691 -1.143 -1.204 1.00 0.00 H new ATOM 0 HA ILE C 36 68.293 1.487 -2.651 1.00 0.00 H new ATOM 0 HB ILE C 36 66.899 0.398 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.520 0.769 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.412 -0.711 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.380 2.323 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.063 2.867 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.336 2.798 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.037 -0.970 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.106 -1.097 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.200 0.405 -0.734 1.00 0.00 H new ATOM 554 N SER C 37 69.579 2.711 -0.887 1.00 0.00 N ATOM 555 CA SER C 37 70.586 3.336 0.019 1.00 0.00 C ATOM 556 C SER C 37 70.316 4.834 0.140 1.00 0.00 C ATOM 557 O SER C 37 71.218 5.643 0.120 1.00 0.00 O ATOM 558 CB SER C 37 71.914 3.110 -0.676 1.00 0.00 C ATOM 559 OG SER C 37 72.952 3.048 0.292 1.00 0.00 O ATOM 0 H SER C 37 69.160 3.344 -1.568 1.00 0.00 H new ATOM 0 HA SER C 37 70.561 2.915 1.024 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.883 2.184 -1.251 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.109 3.917 -1.382 1.00 0.00 H new ATOM 0 HG SER C 37 73.810 2.900 -0.158 1.00 0.00 H new ATOM 565 N THR C 38 69.073 5.189 0.244 1.00 0.00 N ATOM 566 CA THR C 38 68.679 6.632 0.349 1.00 0.00 C ATOM 567 C THR C 38 68.880 7.314 -1.005 1.00 0.00 C ATOM 568 O THR C 38 67.956 7.853 -1.578 1.00 0.00 O ATOM 569 CB THR C 38 69.579 7.271 1.422 1.00 0.00 C ATOM 570 OG1 THR C 38 70.766 7.767 0.819 1.00 0.00 O ATOM 571 CG2 THR C 38 69.935 6.246 2.503 1.00 0.00 C ATOM 0 H THR C 38 68.291 4.534 0.262 1.00 0.00 H new ATOM 0 HA THR C 38 67.630 6.740 0.626 1.00 0.00 H new ATOM 0 HB THR C 38 69.038 8.095 1.888 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.455 7.070 0.832 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.572 6.715 3.253 1.00 0.00 H new ATOM 0 HG22 THR C 38 69.022 5.884 2.976 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.465 5.408 2.050 1.00 0.00 H new ATOM 579 N LYS C 39 70.071 7.285 -1.537 1.00 0.00 N ATOM 580 CA LYS C 39 70.290 7.921 -2.866 1.00 0.00 C ATOM 581 C LYS C 39 69.248 7.384 -3.849 1.00 0.00 C ATOM 582 O LYS C 39 68.819 8.067 -4.758 1.00 0.00 O ATOM 583 CB LYS C 39 71.700 7.505 -3.284 1.00 0.00 C ATOM 584 CG LYS C 39 72.724 8.410 -2.596 1.00 0.00 C ATOM 585 CD LYS C 39 72.879 9.707 -3.394 1.00 0.00 C ATOM 586 CE LYS C 39 73.847 10.643 -2.665 1.00 0.00 C ATOM 587 NZ LYS C 39 74.503 11.434 -3.744 1.00 0.00 N ATOM 0 H LYS C 39 70.893 6.854 -1.115 1.00 0.00 H new ATOM 0 HA LYS C 39 70.192 9.006 -2.841 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.879 6.464 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.806 7.576 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.402 8.633 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS C 39 73.684 7.899 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS C 39 73.252 9.488 -4.395 1.00 0.00 H new ATOM 0 HD3 LYS C 39 71.910 10.191 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS C 39 73.318 11.291 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.580 10.081 -2.086 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 75.182 12.100 -3.323 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 75.004 10.791 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 73.782 11.964 -4.273 1.00 0.00 H new ATOM 601 N GLU C 40 68.827 6.163 -3.653 1.00 0.00 N ATOM 602 CA GLU C 40 67.799 5.562 -4.550 1.00 0.00 C ATOM 603 C GLU C 40 66.407 5.791 -3.954 1.00 0.00 C ATOM 604 O GLU C 40 65.457 6.084 -4.652 1.00 0.00 O ATOM 605 CB GLU C 40 68.114 4.064 -4.579 1.00 0.00 C ATOM 606 CG GLU C 40 69.576 3.842 -4.970 1.00 0.00 C ATOM 607 CD GLU C 40 70.449 3.821 -3.712 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.986 4.282 -2.683 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.567 3.340 -3.800 1.00 0.00 O ATOM 0 H GLU C 40 69.154 5.552 -2.904 1.00 0.00 H new ATOM 0 HA GLU C 40 67.813 5.999 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.920 3.625 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.459 3.560 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.679 2.902 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.907 4.634 -5.641 1.00 0.00 H new ATOM 616 N LEU C 41 66.289 5.656 -2.661 1.00 0.00 N ATOM 617 CA LEU C 41 64.969 5.858 -2.000 1.00 0.00 C ATOM 618 C LEU C 41 64.635 7.357 -1.939 1.00 0.00 C ATOM 619 O LEU C 41 63.541 7.772 -2.267 1.00 0.00 O ATOM 620 CB LEU C 41 65.149 5.233 -0.599 1.00 0.00 C ATOM 621 CG LEU C 41 64.816 6.237 0.513 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.340 6.621 0.430 1.00 0.00 C ATOM 623 CD2 LEU C 41 65.098 5.598 1.874 1.00 0.00 C ATOM 0 H LEU C 41 67.054 5.413 -2.032 1.00 0.00 H new ATOM 0 HA LEU C 41 64.137 5.397 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU C 41 64.506 4.358 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.176 4.888 -0.483 1.00 0.00 H new ATOM 0 HG LEU C 41 65.430 7.129 0.393 1.00 0.00 H new ATOM 0 HD11 LEU C 41 63.105 7.334 1.220 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.136 7.074 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.725 5.729 0.551 1.00 0.00 H new ATOM 0 HD21 LEU C 41 64.862 6.309 2.666 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.482 4.706 1.992 1.00 0.00 H new ATOM 0 HD23 LEU C 41 66.151 5.322 1.935 1.00 0.00 H new ATOM 635 N GLY C 42 65.566 8.166 -1.519 1.00 0.00 N ATOM 636 CA GLY C 42 65.300 9.630 -1.434 1.00 0.00 C ATOM 637 C GLY C 42 64.608 10.099 -2.714 1.00 0.00 C ATOM 638 O GLY C 42 63.658 10.855 -2.675 1.00 0.00 O ATOM 0 H GLY C 42 66.501 7.877 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.673 9.847 -0.569 1.00 0.00 H new ATOM 0 HA3 GLY C 42 66.235 10.173 -1.294 1.00 0.00 H new ATOM 642 N LYS C 43 65.076 9.658 -3.850 1.00 0.00 N ATOM 643 CA LYS C 43 64.442 10.082 -5.129 1.00 0.00 C ATOM 644 C LYS C 43 62.920 9.965 -5.026 1.00 0.00 C ATOM 645 O LYS C 43 62.187 10.714 -5.641 1.00 0.00 O ATOM 646 CB LYS C 43 64.992 9.122 -6.182 1.00 0.00 C ATOM 647 CG LYS C 43 66.237 9.736 -6.824 1.00 0.00 C ATOM 648 CD LYS C 43 67.049 8.647 -7.518 1.00 0.00 C ATOM 649 CE LYS C 43 68.192 9.289 -8.307 1.00 0.00 C ATOM 650 NZ LYS C 43 69.409 8.528 -7.909 1.00 0.00 N ATOM 0 H LYS C 43 65.869 9.023 -3.947 1.00 0.00 H new ATOM 0 HA LYS C 43 64.661 11.120 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.240 8.164 -5.724 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.236 8.926 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS C 43 65.947 10.501 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS C 43 66.845 10.228 -6.064 1.00 0.00 H new ATOM 0 HD2 LYS C 43 67.448 7.950 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.409 8.072 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS C 43 68.017 9.221 -9.381 1.00 0.00 H new ATOM 0 HE3 LYS C 43 68.292 10.347 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 70.133 8.620 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 69.779 8.908 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 69.166 7.524 -7.785 1.00 0.00 H new ATOM 664 N VAL C 44 62.437 9.035 -4.248 1.00 0.00 N ATOM 665 CA VAL C 44 60.964 8.878 -4.102 1.00 0.00 C ATOM 666 C VAL C 44 60.415 9.962 -3.171 1.00 0.00 C ATOM 667 O VAL C 44 59.297 10.415 -3.320 1.00 0.00 O ATOM 668 CB VAL C 44 60.773 7.489 -3.491 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.324 7.320 -3.033 1.00 0.00 C ATOM 670 CG2 VAL C 44 61.099 6.424 -4.542 1.00 0.00 C ATOM 0 H VAL C 44 63.000 8.378 -3.708 1.00 0.00 H new ATOM 0 HA VAL C 44 60.436 8.977 -5.051 1.00 0.00 H new ATOM 0 HB VAL C 44 61.438 7.378 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL C 44 59.193 6.329 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL C 44 59.088 8.078 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.657 7.433 -3.888 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.964 5.433 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.433 6.541 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.132 6.539 -4.869 1.00 0.00 H new ATOM 680 N MET C 45 61.193 10.386 -2.211 1.00 0.00 N ATOM 681 CA MET C 45 60.713 11.444 -1.276 1.00 0.00 C ATOM 682 C MET C 45 60.305 12.691 -2.063 1.00 0.00 C ATOM 683 O MET C 45 59.159 13.093 -2.056 1.00 0.00 O ATOM 684 CB MET C 45 61.908 11.749 -0.371 1.00 0.00 C ATOM 685 CG MET C 45 62.282 10.495 0.421 1.00 0.00 C ATOM 686 SD MET C 45 60.850 9.937 1.377 1.00 0.00 S ATOM 687 CE MET C 45 60.282 8.672 0.214 1.00 0.00 C ATOM 0 H MET C 45 62.138 10.046 -2.034 1.00 0.00 H new ATOM 0 HA MET C 45 59.842 11.126 -0.703 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.756 12.080 -0.970 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.663 12.563 0.311 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.609 9.707 -0.258 1.00 0.00 H new ATOM 0 HG3 MET C 45 63.117 10.709 1.088 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.609 7.984 0.725 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.755 9.148 -0.613 1.00 0.00 H new ATOM 0 HE3 MET C 45 61.140 8.121 -0.172 1.00 0.00 H new ATOM 697 N ARG C 46 61.234 13.303 -2.746 1.00 0.00 N ATOM 698 CA ARG C 46 60.895 14.521 -3.537 1.00 0.00 C ATOM 699 C ARG C 46 59.686 14.240 -4.432 1.00 0.00 C ATOM 700 O ARG C 46 58.908 15.122 -4.739 1.00 0.00 O ATOM 701 CB ARG C 46 62.138 14.803 -4.382 1.00 0.00 C ATOM 702 CG ARG C 46 62.283 13.720 -5.453 1.00 0.00 C ATOM 703 CD ARG C 46 63.692 13.775 -6.050 1.00 0.00 C ATOM 704 NE ARG C 46 63.483 13.791 -7.525 1.00 0.00 N ATOM 705 CZ ARG C 46 62.766 14.734 -8.072 1.00 0.00 C ATOM 706 NH1 ARG C 46 62.554 15.850 -7.430 1.00 0.00 N ATOM 707 NH2 ARG C 46 62.261 14.561 -9.263 1.00 0.00 N ATOM 0 H ARG C 46 62.211 13.013 -2.791 1.00 0.00 H new ATOM 0 HA ARG C 46 60.635 15.370 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.058 15.784 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG C 46 63.025 14.824 -3.748 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.099 12.737 -5.018 1.00 0.00 H new ATOM 0 HG3 ARG C 46 61.539 13.867 -6.236 1.00 0.00 H new ATOM 0 HD2 ARG C 46 64.228 14.664 -5.717 1.00 0.00 H new ATOM 0 HD3 ARG C 46 64.285 12.913 -5.744 1.00 0.00 H new ATOM 0 HE ARG C 46 63.900 13.065 -8.107 1.00 0.00 H new ATOM 0 HH11 ARG C 46 62.949 15.986 -6.499 1.00 0.00 H new ATOM 0 HH12 ARG C 46 61.993 16.586 -7.859 1.00 0.00 H new ATOM 0 HH21 ARG C 46 62.427 13.689 -9.766 1.00 0.00 H new ATOM 0 HH22 ARG C 46 61.700 15.298 -9.691 1.00 0.00 H new ATOM 721 N MET C 47 59.522 13.015 -4.849 1.00 0.00 N ATOM 722 CA MET C 47 58.363 12.669 -5.720 1.00 0.00 C ATOM 723 C MET C 47 57.103 12.489 -4.869 1.00 0.00 C ATOM 724 O MET C 47 55.996 12.675 -5.333 1.00 0.00 O ATOM 725 CB MET C 47 58.752 11.349 -6.387 1.00 0.00 C ATOM 726 CG MET C 47 59.234 11.615 -7.813 1.00 0.00 C ATOM 727 SD MET C 47 60.580 10.474 -8.217 1.00 0.00 S ATOM 728 CE MET C 47 59.692 8.940 -7.852 1.00 0.00 C ATOM 0 H MET C 47 60.142 12.237 -4.624 1.00 0.00 H new ATOM 0 HA MET C 47 58.146 13.447 -6.452 1.00 0.00 H new ATOM 0 HB2 MET C 47 59.538 10.858 -5.813 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.898 10.672 -6.402 1.00 0.00 H new ATOM 0 HG2 MET C 47 58.411 11.487 -8.516 1.00 0.00 H new ATOM 0 HG3 MET C 47 59.576 12.646 -7.906 1.00 0.00 H new ATOM 0 HE1 MET C 47 60.260 8.354 -7.129 1.00 0.00 H new ATOM 0 HE2 MET C 47 58.712 9.177 -7.438 1.00 0.00 H new ATOM 0 HE3 MET C 47 59.569 8.364 -8.769 1.00 0.00 H new ATOM 738 N LEU C 48 57.265 12.129 -3.625 1.00 0.00 N ATOM 739 CA LEU C 48 56.079 11.936 -2.742 1.00 0.00 C ATOM 740 C LEU C 48 55.547 13.292 -2.271 1.00 0.00 C ATOM 741 O LEU C 48 54.420 13.409 -1.831 1.00 0.00 O ATOM 742 CB LEU C 48 56.598 11.126 -1.554 1.00 0.00 C ATOM 743 CG LEU C 48 56.687 9.649 -1.939 1.00 0.00 C ATOM 744 CD1 LEU C 48 57.369 8.870 -0.813 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.278 9.092 -2.160 1.00 0.00 C ATOM 0 H LEU C 48 58.168 11.960 -3.181 1.00 0.00 H new ATOM 0 HA LEU C 48 55.260 11.431 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.579 11.493 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.934 11.250 -0.699 1.00 0.00 H new ATOM 0 HG LEU C 48 57.266 9.548 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.433 7.817 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU C 48 58.372 9.265 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.788 8.972 0.104 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.342 8.039 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.699 9.193 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU C 48 54.789 9.647 -2.961 1.00 0.00 H new ATOM 757 N GLY C 49 56.351 14.316 -2.354 1.00 0.00 N ATOM 758 CA GLY C 49 55.895 15.662 -1.906 1.00 0.00 C ATOM 759 C GLY C 49 56.703 16.090 -0.679 1.00 0.00 C ATOM 760 O GLY C 49 56.360 17.033 0.005 1.00 0.00 O ATOM 0 H GLY C 49 57.305 14.279 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY C 49 56.022 16.387 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.832 15.636 -1.665 1.00 0.00 H new ATOM 764 N GLN C 50 57.777 15.402 -0.398 1.00 0.00 N ATOM 765 CA GLN C 50 58.611 15.766 0.783 1.00 0.00 C ATOM 766 C GLN C 50 60.076 15.402 0.521 1.00 0.00 C ATOM 767 O GLN C 50 60.424 14.923 -0.540 1.00 0.00 O ATOM 768 CB GLN C 50 58.048 14.934 1.935 1.00 0.00 C ATOM 769 CG GLN C 50 57.786 15.840 3.140 1.00 0.00 C ATOM 770 CD GLN C 50 56.646 15.257 3.978 1.00 0.00 C ATOM 771 OE1 GLN C 50 56.733 14.142 4.451 1.00 0.00 O ATOM 772 NE2 GLN C 50 55.572 15.969 4.181 1.00 0.00 N ATOM 0 H GLN C 50 58.113 14.603 -0.936 1.00 0.00 H new ATOM 0 HA GLN C 50 58.581 16.834 1.001 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.124 14.445 1.627 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.751 14.146 2.205 1.00 0.00 H new ATOM 0 HG2 GLN C 50 58.688 15.928 3.745 1.00 0.00 H new ATOM 0 HG3 GLN C 50 57.528 16.844 2.804 1.00 0.00 H new ATOM 0 HE21 GLN C 50 55.498 16.906 3.784 1.00 0.00 H new ATOM 0 HE22 GLN C 50 54.806 15.589 4.737 1.00 0.00 H new ATOM 781 N ASN C 51 60.936 15.624 1.477 1.00 0.00 N ATOM 782 CA ASN C 51 62.376 15.287 1.275 1.00 0.00 C ATOM 783 C ASN C 51 63.129 15.362 2.607 1.00 0.00 C ATOM 784 O ASN C 51 63.537 16.425 3.030 1.00 0.00 O ATOM 785 CB ASN C 51 62.897 16.348 0.304 1.00 0.00 C ATOM 786 CG ASN C 51 64.314 15.982 -0.141 1.00 0.00 C ATOM 787 OD1 ASN C 51 65.172 15.721 0.679 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.598 15.952 -1.414 1.00 0.00 N ATOM 0 H ASN C 51 60.706 16.023 2.387 1.00 0.00 H new ATOM 0 HA ASN C 51 62.514 14.277 0.889 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.239 16.418 -0.562 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.897 17.327 0.784 1.00 0.00 H new ATOM 0 HD21 ASN C 51 65.540 15.709 -1.721 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.878 16.171 -2.102 1.00 0.00 H new ATOM 795 N PRO C 52 63.285 14.223 3.223 1.00 0.00 N ATOM 796 CA PRO C 52 63.993 14.151 4.523 1.00 0.00 C ATOM 797 C PRO C 52 65.506 14.287 4.319 1.00 0.00 C ATOM 798 O PRO C 52 66.058 13.801 3.352 1.00 0.00 O ATOM 799 CB PRO C 52 63.640 12.762 5.047 1.00 0.00 C ATOM 800 CG PRO C 52 63.320 11.953 3.829 1.00 0.00 C ATOM 801 CD PRO C 52 62.820 12.907 2.772 1.00 0.00 C ATOM 0 HA PRO C 52 63.707 14.947 5.210 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.472 12.327 5.601 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.790 12.802 5.728 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.204 11.421 3.478 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.564 11.201 4.055 1.00 0.00 H new ATOM 0 HD2 PRO C 52 63.222 12.658 1.790 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.734 12.876 2.690 1.00 0.00 H new ATOM 809 N THR C 53 66.180 14.943 5.224 1.00 0.00 N ATOM 810 CA THR C 53 67.657 15.108 5.083 1.00 0.00 C ATOM 811 C THR C 53 68.326 13.741 4.912 1.00 0.00 C ATOM 812 O THR C 53 67.672 12.719 4.969 1.00 0.00 O ATOM 813 CB THR C 53 68.110 15.766 6.389 1.00 0.00 C ATOM 814 OG1 THR C 53 67.073 15.668 7.355 1.00 0.00 O ATOM 815 CG2 THR C 53 68.436 17.238 6.135 1.00 0.00 C ATOM 0 H THR C 53 65.773 15.372 6.055 1.00 0.00 H new ATOM 0 HA THR C 53 67.925 15.706 4.212 1.00 0.00 H new ATOM 0 HB THR C 53 69.000 15.258 6.760 1.00 0.00 H new ATOM 0 HG1 THR C 53 66.558 16.502 7.368 1.00 0.00 H new ATOM 0 HG21 THR C 53 68.758 17.705 7.066 1.00 0.00 H new ATOM 0 HG22 THR C 53 69.234 17.312 5.396 1.00 0.00 H new ATOM 0 HG23 THR C 53 67.548 17.748 5.762 1.00 0.00 H new ATOM 823 N PRO C 54 69.615 13.772 4.709 1.00 0.00 N ATOM 824 CA PRO C 54 70.388 12.518 4.530 1.00 0.00 C ATOM 825 C PRO C 54 70.503 11.770 5.861 1.00 0.00 C ATOM 826 O PRO C 54 70.591 10.559 5.898 1.00 0.00 O ATOM 827 CB PRO C 54 71.755 13.003 4.056 1.00 0.00 C ATOM 828 CG PRO C 54 71.867 14.403 4.569 1.00 0.00 C ATOM 829 CD PRO C 54 70.468 14.962 4.628 1.00 0.00 C ATOM 0 HA PRO C 54 69.924 11.823 3.830 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.555 12.374 4.447 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.829 12.974 2.969 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.330 14.417 5.556 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.496 15.005 3.913 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.333 15.610 5.494 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.239 15.558 3.745 1.00 0.00 H new ATOM 837 N GLU C 55 70.503 12.484 6.953 1.00 0.00 N ATOM 838 CA GLU C 55 70.610 11.813 8.281 1.00 0.00 C ATOM 839 C GLU C 55 69.269 11.179 8.658 1.00 0.00 C ATOM 840 O GLU C 55 69.207 10.262 9.454 1.00 0.00 O ATOM 841 CB GLU C 55 70.970 12.931 9.262 1.00 0.00 C ATOM 842 CG GLU C 55 72.481 12.931 9.505 1.00 0.00 C ATOM 843 CD GLU C 55 72.911 14.293 10.053 1.00 0.00 C ATOM 844 OE1 GLU C 55 72.574 15.291 9.436 1.00 0.00 O ATOM 845 OE2 GLU C 55 73.569 14.315 11.080 1.00 0.00 O ATOM 0 H GLU C 55 70.434 13.501 6.984 1.00 0.00 H new ATOM 0 HA GLU C 55 71.352 11.015 8.284 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.655 13.895 8.862 1.00 0.00 H new ATOM 0 HB3 GLU C 55 70.440 12.788 10.203 1.00 0.00 H new ATOM 0 HG2 GLU C 55 72.746 12.143 10.210 1.00 0.00 H new ATOM 0 HG3 GLU C 55 73.009 12.718 8.576 1.00 0.00 H new ATOM 852 N GLU C 56 68.196 11.660 8.093 1.00 0.00 N ATOM 853 CA GLU C 56 66.859 11.084 8.418 1.00 0.00 C ATOM 854 C GLU C 56 66.541 9.922 7.472 1.00 0.00 C ATOM 855 O GLU C 56 65.572 9.211 7.650 1.00 0.00 O ATOM 856 CB GLU C 56 65.872 12.233 8.209 1.00 0.00 C ATOM 857 CG GLU C 56 65.279 12.648 9.557 1.00 0.00 C ATOM 858 CD GLU C 56 64.255 11.605 10.008 1.00 0.00 C ATOM 859 OE1 GLU C 56 63.736 10.905 9.154 1.00 0.00 O ATOM 860 OE2 GLU C 56 64.006 11.524 11.199 1.00 0.00 O ATOM 0 H GLU C 56 68.186 12.427 7.420 1.00 0.00 H new ATOM 0 HA GLU C 56 66.814 10.688 9.433 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.377 13.080 7.745 1.00 0.00 H new ATOM 0 HB3 GLU C 56 65.077 11.925 7.530 1.00 0.00 H new ATOM 0 HG2 GLU C 56 66.070 12.741 10.301 1.00 0.00 H new ATOM 0 HG3 GLU C 56 64.805 13.626 9.472 1.00 0.00 H new ATOM 867 N LEU C 57 67.349 9.726 6.464 1.00 0.00 N ATOM 868 CA LEU C 57 67.093 8.612 5.507 1.00 0.00 C ATOM 869 C LEU C 57 67.641 7.296 6.066 1.00 0.00 C ATOM 870 O LEU C 57 66.915 6.343 6.264 1.00 0.00 O ATOM 871 CB LEU C 57 67.843 9.004 4.234 1.00 0.00 C ATOM 872 CG LEU C 57 66.842 9.450 3.167 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.588 10.130 2.017 1.00 0.00 C ATOM 874 CD2 LEU C 57 66.088 8.230 2.633 1.00 0.00 C ATOM 0 H LEU C 57 68.175 10.290 6.263 1.00 0.00 H new ATOM 0 HA LEU C 57 66.029 8.462 5.325 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.546 9.809 4.447 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.427 8.159 3.869 1.00 0.00 H new ATOM 0 HG LEU C 57 66.134 10.153 3.606 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.874 10.447 1.257 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.125 10.999 2.396 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.297 9.428 1.578 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.374 8.547 1.873 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.797 7.527 2.195 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.555 7.745 3.451 1.00 0.00 H new ATOM 886 N GLN C 58 68.920 7.237 6.318 1.00 0.00 N ATOM 887 CA GLN C 58 69.518 5.983 6.863 1.00 0.00 C ATOM 888 C GLN C 58 68.636 5.409 7.974 1.00 0.00 C ATOM 889 O GLN C 58 68.617 4.217 8.210 1.00 0.00 O ATOM 890 CB GLN C 58 70.877 6.404 7.424 1.00 0.00 C ATOM 891 CG GLN C 58 71.951 5.423 6.952 1.00 0.00 C ATOM 892 CD GLN C 58 71.762 4.080 7.661 1.00 0.00 C ATOM 893 OE1 GLN C 58 71.511 4.037 8.849 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.873 2.974 6.977 1.00 0.00 N ATOM 0 H GLN C 58 69.578 8.003 6.170 1.00 0.00 H new ATOM 0 HA GLN C 58 69.611 5.208 6.102 1.00 0.00 H new ATOM 0 HB2 GLN C 58 71.121 7.414 7.094 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.842 6.425 8.513 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.887 5.289 5.872 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.943 5.822 7.165 1.00 0.00 H new ATOM 0 HE21 GLN C 58 72.084 3.010 5.980 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.749 2.074 7.440 1.00 0.00 H new ATOM 903 N GLU C 59 67.906 6.246 8.659 1.00 0.00 N ATOM 904 CA GLU C 59 67.028 5.744 9.757 1.00 0.00 C ATOM 905 C GLU C 59 65.885 4.903 9.181 1.00 0.00 C ATOM 906 O GLU C 59 65.503 3.893 9.740 1.00 0.00 O ATOM 907 CB GLU C 59 66.481 7.003 10.431 1.00 0.00 C ATOM 908 CG GLU C 59 66.932 7.035 11.893 1.00 0.00 C ATOM 909 CD GLU C 59 66.259 8.207 12.610 1.00 0.00 C ATOM 910 OE1 GLU C 59 66.376 9.320 12.123 1.00 0.00 O ATOM 911 OE2 GLU C 59 65.639 7.972 13.634 1.00 0.00 O ATOM 0 H GLU C 59 67.879 7.254 8.507 1.00 0.00 H new ATOM 0 HA GLU C 59 67.567 5.106 10.458 1.00 0.00 H new ATOM 0 HB2 GLU C 59 66.837 7.892 9.910 1.00 0.00 H new ATOM 0 HB3 GLU C 59 65.393 7.015 10.375 1.00 0.00 H new ATOM 0 HG2 GLU C 59 66.673 6.097 12.385 1.00 0.00 H new ATOM 0 HG3 GLU C 59 68.016 7.135 11.948 1.00 0.00 H new ATOM 918 N MET C 60 65.337 5.310 8.069 1.00 0.00 N ATOM 919 CA MET C 60 64.218 4.533 7.460 1.00 0.00 C ATOM 920 C MET C 60 64.703 3.140 7.044 1.00 0.00 C ATOM 921 O MET C 60 64.058 2.144 7.306 1.00 0.00 O ATOM 922 CB MET C 60 63.797 5.342 6.233 1.00 0.00 C ATOM 923 CG MET C 60 62.330 5.751 6.370 1.00 0.00 C ATOM 924 SD MET C 60 62.127 7.460 5.807 1.00 0.00 S ATOM 925 CE MET C 60 62.330 7.143 4.036 1.00 0.00 C ATOM 0 H MET C 60 65.615 6.146 7.555 1.00 0.00 H new ATOM 0 HA MET C 60 63.392 4.386 8.156 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.425 6.228 6.135 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.938 4.750 5.328 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.699 5.085 5.781 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.010 5.658 7.408 1.00 0.00 H new ATOM 0 HE1 MET C 60 63.233 7.638 3.679 1.00 0.00 H new ATOM 0 HE2 MET C 60 62.413 6.070 3.866 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.466 7.531 3.496 1.00 0.00 H new ATOM 935 N ILE C 61 65.833 3.064 6.396 1.00 0.00 N ATOM 936 CA ILE C 61 66.358 1.737 5.962 1.00 0.00 C ATOM 937 C ILE C 61 66.638 0.854 7.183 1.00 0.00 C ATOM 938 O ILE C 61 66.292 -0.311 7.211 1.00 0.00 O ATOM 939 CB ILE C 61 67.651 2.057 5.201 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.306 2.433 3.759 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.574 0.834 5.196 1.00 0.00 C ATOM 942 CD1 ILE C 61 66.976 3.925 3.684 1.00 0.00 C ATOM 0 H ILE C 61 66.416 3.863 6.148 1.00 0.00 H new ATOM 0 HA ILE C 61 65.650 1.188 5.340 1.00 0.00 H new ATOM 0 HB ILE C 61 68.159 2.887 5.692 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.144 2.202 3.102 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.457 1.844 3.412 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.489 1.071 4.653 1.00 0.00 H new ATOM 0 HG22 ILE C 61 68.821 0.560 6.222 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.069 -0.001 4.709 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.730 4.192 2.656 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.124 4.142 4.329 1.00 0.00 H new ATOM 0 HD13 ILE C 61 67.838 4.505 4.014 1.00 0.00 H new ATOM 954 N ASP C 62 67.265 1.396 8.191 1.00 0.00 N ATOM 955 CA ASP C 62 67.566 0.584 9.405 1.00 0.00 C ATOM 956 C ASP C 62 66.266 0.149 10.087 1.00 0.00 C ATOM 957 O ASP C 62 66.199 -0.893 10.709 1.00 0.00 O ATOM 958 CB ASP C 62 68.364 1.514 10.317 1.00 0.00 C ATOM 959 CG ASP C 62 69.792 1.648 9.786 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.089 1.033 8.776 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.565 2.366 10.400 1.00 0.00 O ATOM 0 H ASP C 62 67.582 2.365 8.227 1.00 0.00 H new ATOM 0 HA ASP C 62 68.119 -0.325 9.166 1.00 0.00 H new ATOM 0 HB2 ASP C 62 67.888 2.494 10.361 1.00 0.00 H new ATOM 0 HB3 ASP C 62 68.378 1.120 11.333 1.00 0.00 H new ATOM 966 N GLU C 63 65.234 0.939 9.977 1.00 0.00 N ATOM 967 CA GLU C 63 63.940 0.571 10.620 1.00 0.00 C ATOM 968 C GLU C 63 63.466 -0.795 10.111 1.00 0.00 C ATOM 969 O GLU C 63 62.679 -1.465 10.750 1.00 0.00 O ATOM 970 CB GLU C 63 62.963 1.670 10.200 1.00 0.00 C ATOM 971 CG GLU C 63 61.557 1.318 10.692 1.00 0.00 C ATOM 972 CD GLU C 63 60.519 1.953 9.766 1.00 0.00 C ATOM 973 OE1 GLU C 63 60.408 1.505 8.637 1.00 0.00 O ATOM 974 OE2 GLU C 63 59.855 2.880 10.201 1.00 0.00 O ATOM 0 H GLU C 63 65.230 1.824 9.470 1.00 0.00 H new ATOM 0 HA GLU C 63 64.024 0.493 11.704 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.276 2.628 10.615 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.964 1.777 9.115 1.00 0.00 H new ATOM 0 HG2 GLU C 63 61.428 0.236 10.713 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.417 1.675 11.712 1.00 0.00 H new ATOM 981 N VAL C 64 63.938 -1.210 8.968 1.00 0.00 N ATOM 982 CA VAL C 64 63.514 -2.531 8.423 1.00 0.00 C ATOM 983 C VAL C 64 64.737 -3.339 7.984 1.00 0.00 C ATOM 984 O VAL C 64 64.664 -4.160 7.091 1.00 0.00 O ATOM 985 CB VAL C 64 62.630 -2.199 7.221 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.327 -1.561 7.705 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.366 -1.220 6.302 1.00 0.00 C ATOM 0 H VAL C 64 64.598 -0.692 8.388 1.00 0.00 H new ATOM 0 HA VAL C 64 62.986 -3.132 9.163 1.00 0.00 H new ATOM 0 HB VAL C 64 62.404 -3.114 6.673 1.00 0.00 H new ATOM 0 HG11 VAL C 64 60.697 -1.325 6.847 1.00 0.00 H new ATOM 0 HG12 VAL C 64 60.802 -2.257 8.360 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.552 -0.646 8.253 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.736 -0.983 5.444 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.592 -0.306 6.851 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.295 -1.674 5.956 1.00 0.00 H new ATOM 997 N ASP C 65 65.862 -3.114 8.606 1.00 0.00 N ATOM 998 CA ASP C 65 67.089 -3.871 8.226 1.00 0.00 C ATOM 999 C ASP C 65 67.573 -4.712 9.409 1.00 0.00 C ATOM 1000 O ASP C 65 67.947 -4.193 10.441 1.00 0.00 O ATOM 1001 CB ASP C 65 68.121 -2.800 7.870 1.00 0.00 C ATOM 1002 CG ASP C 65 69.157 -3.387 6.910 1.00 0.00 C ATOM 1003 OD1 ASP C 65 68.892 -3.400 5.719 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.199 -3.814 7.382 1.00 0.00 O ATOM 0 H ASP C 65 65.985 -2.439 9.361 1.00 0.00 H new ATOM 0 HA ASP C 65 66.914 -4.557 7.397 1.00 0.00 H new ATOM 0 HB2 ASP C 65 67.628 -1.944 7.410 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.611 -2.438 8.774 1.00 0.00 H new ATOM 1009 N GLU C 66 67.565 -6.009 9.267 1.00 0.00 N ATOM 1010 CA GLU C 66 68.023 -6.884 10.386 1.00 0.00 C ATOM 1011 C GLU C 66 69.228 -7.719 9.945 1.00 0.00 C ATOM 1012 O GLU C 66 69.207 -8.931 9.995 1.00 0.00 O ATOM 1013 CB GLU C 66 66.829 -7.786 10.695 1.00 0.00 C ATOM 1014 CG GLU C 66 66.130 -7.291 11.962 1.00 0.00 C ATOM 1015 CD GLU C 66 67.010 -7.587 13.178 1.00 0.00 C ATOM 1016 OE1 GLU C 66 68.080 -7.008 13.265 1.00 0.00 O ATOM 1017 OE2 GLU C 66 66.599 -8.389 14.000 1.00 0.00 O ATOM 0 H GLU C 66 67.262 -6.501 8.427 1.00 0.00 H new ATOM 0 HA GLU C 66 68.337 -6.311 11.258 1.00 0.00 H new ATOM 0 HB2 GLU C 66 66.131 -7.783 9.857 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.162 -8.815 10.829 1.00 0.00 H new ATOM 0 HG2 GLU C 66 65.939 -6.220 11.890 1.00 0.00 H new ATOM 0 HG3 GLU C 66 65.163 -7.781 12.072 1.00 0.00 H new ATOM 1024 N ASP C 67 70.278 -7.075 9.513 1.00 0.00 N ATOM 1025 CA ASP C 67 71.485 -7.830 9.068 1.00 0.00 C ATOM 1026 C ASP C 67 72.756 -7.042 9.394 1.00 0.00 C ATOM 1027 O ASP C 67 73.774 -7.605 9.747 1.00 0.00 O ATOM 1028 CB ASP C 67 71.323 -7.981 7.554 1.00 0.00 C ATOM 1029 CG ASP C 67 70.872 -6.649 6.951 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.598 -5.679 7.095 1.00 0.00 O ATOM 1031 OD2 ASP C 67 69.807 -6.622 6.354 1.00 0.00 O ATOM 0 H ASP C 67 70.353 -6.060 9.449 1.00 0.00 H new ATOM 0 HA ASP C 67 71.574 -8.794 9.568 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.266 -8.293 7.106 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.592 -8.758 7.332 1.00 0.00 H new ATOM 1036 N GLY C 68 72.709 -5.743 9.275 1.00 0.00 N ATOM 1037 CA GLY C 68 73.916 -4.924 9.575 1.00 0.00 C ATOM 1038 C GLY C 68 74.504 -4.398 8.266 1.00 0.00 C ATOM 1039 O GLY C 68 75.701 -4.236 8.131 1.00 0.00 O ATOM 0 H GLY C 68 71.887 -5.214 8.983 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.653 -4.093 10.229 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.656 -5.525 10.104 1.00 0.00 H new ATOM 1043 N SER C 69 73.671 -4.134 7.297 1.00 0.00 N ATOM 1044 CA SER C 69 74.178 -3.621 5.993 1.00 0.00 C ATOM 1045 C SER C 69 73.959 -2.109 5.897 1.00 0.00 C ATOM 1046 O SER C 69 74.892 -1.332 5.943 1.00 0.00 O ATOM 1047 CB SER C 69 73.354 -4.352 4.935 1.00 0.00 C ATOM 1048 OG SER C 69 71.995 -3.948 5.038 1.00 0.00 O ATOM 0 H SER C 69 72.659 -4.252 7.352 1.00 0.00 H new ATOM 0 HA SER C 69 75.247 -3.793 5.868 1.00 0.00 H new ATOM 0 HB2 SER C 69 73.738 -4.128 3.940 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.437 -5.430 5.074 1.00 0.00 H new ATOM 0 HG SER C 69 71.556 -4.456 5.752 1.00 0.00 H new ATOM 1054 N GLY C 70 72.732 -1.687 5.761 1.00 0.00 N ATOM 1055 CA GLY C 70 72.453 -0.227 5.657 1.00 0.00 C ATOM 1056 C GLY C 70 71.520 0.032 4.474 1.00 0.00 C ATOM 1057 O GLY C 70 71.028 1.127 4.286 1.00 0.00 O ATOM 0 H GLY C 70 71.911 -2.290 5.717 1.00 0.00 H new ATOM 0 HA2 GLY C 70 71.997 0.133 6.579 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.385 0.323 5.526 1.00 0.00 H new ATOM 1061 N THR C 71 71.272 -0.968 3.673 1.00 0.00 N ATOM 1062 CA THR C 71 70.369 -0.779 2.501 1.00 0.00 C ATOM 1063 C THR C 71 69.096 -1.613 2.677 1.00 0.00 C ATOM 1064 O THR C 71 68.846 -2.163 3.731 1.00 0.00 O ATOM 1065 CB THR C 71 71.174 -1.273 1.298 1.00 0.00 C ATOM 1066 OG1 THR C 71 71.572 -2.619 1.518 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.411 -0.393 1.114 1.00 0.00 C ATOM 0 H THR C 71 71.655 -1.907 3.779 1.00 0.00 H new ATOM 0 HA THR C 71 70.055 0.258 2.382 1.00 0.00 H new ATOM 0 HB THR C 71 70.559 -1.219 0.400 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.087 -2.938 0.747 1.00 0.00 H new ATOM 0 HG21 THR C 71 72.984 -0.746 0.257 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.102 0.638 0.944 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.030 -0.444 2.010 1.00 0.00 H new ATOM 1075 N VAL C 72 68.292 -1.710 1.655 1.00 0.00 N ATOM 1076 CA VAL C 72 67.038 -2.509 1.769 1.00 0.00 C ATOM 1077 C VAL C 72 66.807 -3.323 0.494 1.00 0.00 C ATOM 1078 O VAL C 72 67.256 -2.962 -0.575 1.00 0.00 O ATOM 1079 CB VAL C 72 65.927 -1.476 1.953 1.00 0.00 C ATOM 1080 CG1 VAL C 72 64.566 -2.172 1.878 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.080 -0.803 3.317 1.00 0.00 C ATOM 0 H VAL C 72 68.448 -1.272 0.747 1.00 0.00 H new ATOM 0 HA VAL C 72 67.077 -3.220 2.594 1.00 0.00 H new ATOM 0 HB VAL C 72 65.995 -0.725 1.166 1.00 0.00 H new ATOM 0 HG11 VAL C 72 63.773 -1.436 2.009 1.00 0.00 H new ATOM 0 HG12 VAL C 72 64.457 -2.654 0.906 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.498 -2.923 2.665 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.288 -0.066 3.450 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.012 -1.555 4.103 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.050 -0.308 3.372 1.00 0.00 H new ATOM 1091 N ASP C 73 66.106 -4.419 0.600 1.00 0.00 N ATOM 1092 CA ASP C 73 65.842 -5.255 -0.606 1.00 0.00 C ATOM 1093 C ASP C 73 64.368 -5.662 -0.653 1.00 0.00 C ATOM 1094 O ASP C 73 63.622 -5.440 0.282 1.00 0.00 O ATOM 1095 CB ASP C 73 66.736 -6.485 -0.442 1.00 0.00 C ATOM 1096 CG ASP C 73 66.455 -7.145 0.909 1.00 0.00 C ATOM 1097 OD1 ASP C 73 65.696 -6.578 1.677 1.00 0.00 O ATOM 1098 OD2 ASP C 73 67.005 -8.207 1.153 1.00 0.00 O ATOM 0 H ASP C 73 65.705 -4.772 1.469 1.00 0.00 H new ATOM 0 HA ASP C 73 66.053 -4.722 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP C 73 66.550 -7.193 -1.250 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.785 -6.196 -0.506 1.00 0.00 H new ATOM 1103 N PHE C 74 63.940 -6.257 -1.732 1.00 0.00 N ATOM 1104 CA PHE C 74 62.513 -6.679 -1.836 1.00 0.00 C ATOM 1105 C PHE C 74 62.119 -7.519 -0.618 1.00 0.00 C ATOM 1106 O PHE C 74 60.955 -7.677 -0.311 1.00 0.00 O ATOM 1107 CB PHE C 74 62.441 -7.517 -3.113 1.00 0.00 C ATOM 1108 CG PHE C 74 61.019 -7.536 -3.623 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.315 -6.337 -3.778 1.00 0.00 C ATOM 1110 CD2 PHE C 74 60.407 -8.754 -3.942 1.00 0.00 C ATOM 1111 CE1 PHE C 74 58.997 -6.355 -4.252 1.00 0.00 C ATOM 1112 CE2 PHE C 74 59.089 -8.773 -4.415 1.00 0.00 C ATOM 1113 CZ PHE C 74 58.385 -7.573 -4.570 1.00 0.00 C ATOM 0 H PHE C 74 64.516 -6.470 -2.547 1.00 0.00 H new ATOM 0 HA PHE C 74 61.832 -5.829 -1.867 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.105 -7.102 -3.871 1.00 0.00 H new ATOM 0 HB3 PHE C 74 62.781 -8.533 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE C 74 60.788 -5.398 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE C 74 60.951 -9.679 -3.823 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.453 -5.430 -4.372 1.00 0.00 H new ATOM 0 HE2 PHE C 74 58.616 -9.713 -4.660 1.00 0.00 H new ATOM 0 HZ PHE C 74 57.369 -7.587 -4.935 1.00 0.00 H new ATOM 1123 N ASP C 75 63.082 -8.063 0.075 1.00 0.00 N ATOM 1124 CA ASP C 75 62.763 -8.895 1.271 1.00 0.00 C ATOM 1125 C ASP C 75 62.523 -8.001 2.492 1.00 0.00 C ATOM 1126 O ASP C 75 61.598 -8.209 3.252 1.00 0.00 O ATOM 1127 CB ASP C 75 63.997 -9.772 1.483 1.00 0.00 C ATOM 1128 CG ASP C 75 63.679 -11.210 1.069 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.122 -11.388 -0.002 1.00 0.00 O ATOM 1130 OD2 ASP C 75 63.999 -12.110 1.829 1.00 0.00 O ATOM 0 H ASP C 75 64.076 -7.968 -0.135 1.00 0.00 H new ATOM 0 HA ASP C 75 61.859 -9.488 1.131 1.00 0.00 H new ATOM 0 HB2 ASP C 75 64.833 -9.390 0.897 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.302 -9.743 2.529 1.00 0.00 H new ATOM 1135 N GLU C 76 63.352 -7.012 2.689 1.00 0.00 N ATOM 1136 CA GLU C 76 63.172 -6.110 3.865 1.00 0.00 C ATOM 1137 C GLU C 76 62.192 -4.983 3.531 1.00 0.00 C ATOM 1138 O GLU C 76 61.478 -4.494 4.386 1.00 0.00 O ATOM 1139 CB GLU C 76 64.564 -5.541 4.143 1.00 0.00 C ATOM 1140 CG GLU C 76 65.522 -6.679 4.500 1.00 0.00 C ATOM 1141 CD GLU C 76 66.950 -6.137 4.581 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.100 -4.929 4.658 1.00 0.00 O ATOM 1143 OE2 GLU C 76 67.870 -6.938 4.562 1.00 0.00 O ATOM 0 H GLU C 76 64.145 -6.789 2.088 1.00 0.00 H new ATOM 0 HA GLU C 76 62.764 -6.637 4.727 1.00 0.00 H new ATOM 0 HB2 GLU C 76 64.930 -5.005 3.267 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.517 -4.822 4.961 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.236 -7.124 5.453 1.00 0.00 H new ATOM 0 HG3 GLU C 76 65.463 -7.467 3.750 1.00 0.00 H new ATOM 1150 N PHE C 77 62.153 -4.562 2.297 1.00 0.00 N ATOM 1151 CA PHE C 77 61.221 -3.462 1.912 1.00 0.00 C ATOM 1152 C PHE C 77 59.772 -3.868 2.199 1.00 0.00 C ATOM 1153 O PHE C 77 58.939 -3.043 2.520 1.00 0.00 O ATOM 1154 CB PHE C 77 61.438 -3.271 0.411 1.00 0.00 C ATOM 1155 CG PHE C 77 60.386 -2.335 -0.136 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.623 -0.956 -0.164 1.00 0.00 C ATOM 1157 CD2 PHE C 77 59.175 -2.846 -0.617 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.650 -0.088 -0.672 1.00 0.00 C ATOM 1159 CE2 PHE C 77 58.201 -1.979 -1.125 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.438 -0.600 -1.152 1.00 0.00 C ATOM 0 H PHE C 77 62.726 -4.931 1.538 1.00 0.00 H new ATOM 0 HA PHE C 77 61.408 -2.546 2.472 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.433 -2.865 0.225 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.385 -4.232 -0.100 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.558 -0.561 0.207 1.00 0.00 H new ATOM 0 HD2 PHE C 77 58.992 -3.910 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.834 0.976 -0.694 1.00 0.00 H new ATOM 0 HE2 PHE C 77 57.267 -2.374 -1.496 1.00 0.00 H new ATOM 0 HZ PHE C 77 57.686 0.069 -1.543 1.00 0.00 H new ATOM 1170 N LEU C 78 59.466 -5.131 2.084 1.00 0.00 N ATOM 1171 CA LEU C 78 58.071 -5.588 2.346 1.00 0.00 C ATOM 1172 C LEU C 78 57.673 -5.287 3.794 1.00 0.00 C ATOM 1173 O LEU C 78 56.614 -4.754 4.058 1.00 0.00 O ATOM 1174 CB LEU C 78 58.099 -7.097 2.102 1.00 0.00 C ATOM 1175 CG LEU C 78 58.076 -7.369 0.598 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.394 -8.843 0.341 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.687 -7.043 0.044 1.00 0.00 C ATOM 0 H LEU C 78 60.121 -5.867 1.820 1.00 0.00 H new ATOM 0 HA LEU C 78 57.346 -5.082 1.708 1.00 0.00 H new ATOM 0 HB2 LEU C 78 58.994 -7.532 2.548 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.242 -7.570 2.581 1.00 0.00 H new ATOM 0 HG LEU C 78 58.821 -6.746 0.104 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.378 -9.037 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.382 -9.076 0.737 1.00 0.00 H new ATOM 0 HD13 LEU C 78 57.649 -9.467 0.834 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.669 -7.236 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU C 78 55.942 -7.667 0.538 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.459 -5.993 0.227 1.00 0.00 H new ATOM 1189 N VAL C 79 58.513 -5.624 4.733 1.00 0.00 N ATOM 1190 CA VAL C 79 58.180 -5.357 6.162 1.00 0.00 C ATOM 1191 C VAL C 79 58.006 -3.854 6.393 1.00 0.00 C ATOM 1192 O VAL C 79 57.409 -3.429 7.362 1.00 0.00 O ATOM 1193 CB VAL C 79 59.376 -5.885 6.953 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.235 -5.479 8.421 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.424 -7.412 6.850 1.00 0.00 C ATOM 0 H VAL C 79 59.415 -6.072 4.574 1.00 0.00 H new ATOM 0 HA VAL C 79 57.248 -5.835 6.464 1.00 0.00 H new ATOM 0 HB VAL C 79 60.295 -5.464 6.545 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.088 -5.855 8.986 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.201 -4.392 8.496 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.316 -5.900 8.828 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.277 -7.788 7.414 1.00 0.00 H new ATOM 0 HG22 VAL C 79 58.505 -7.833 7.258 1.00 0.00 H new ATOM 0 HG23 VAL C 79 59.524 -7.703 5.804 1.00 0.00 H new ATOM 1205 N MET C 80 58.524 -3.048 5.508 1.00 0.00 N ATOM 1206 CA MET C 80 58.390 -1.571 5.675 1.00 0.00 C ATOM 1207 C MET C 80 56.963 -1.127 5.344 1.00 0.00 C ATOM 1208 O MET C 80 56.551 -0.034 5.676 1.00 0.00 O ATOM 1209 CB MET C 80 59.383 -0.970 4.679 1.00 0.00 C ATOM 1210 CG MET C 80 59.792 0.429 5.143 1.00 0.00 C ATOM 1211 SD MET C 80 61.397 0.860 4.426 1.00 0.00 S ATOM 1212 CE MET C 80 60.827 1.111 2.725 1.00 0.00 C ATOM 0 H MET C 80 59.034 -3.347 4.677 1.00 0.00 H new ATOM 0 HA MET C 80 58.592 -1.251 6.697 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.263 -1.608 4.597 1.00 0.00 H new ATOM 0 HB3 MET C 80 58.933 -0.918 3.688 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.040 1.158 4.841 1.00 0.00 H new ATOM 0 HG3 MET C 80 59.848 0.461 6.231 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.463 0.549 2.041 1.00 0.00 H new ATOM 0 HE2 MET C 80 59.798 0.764 2.631 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.877 2.171 2.477 1.00 0.00 H new ATOM 1222 N MET C 81 56.206 -1.967 4.691 1.00 0.00 N ATOM 1223 CA MET C 81 54.807 -1.586 4.339 1.00 0.00 C ATOM 1224 C MET C 81 53.809 -2.332 5.231 1.00 0.00 C ATOM 1225 O MET C 81 52.809 -1.785 5.650 1.00 0.00 O ATOM 1226 CB MET C 81 54.637 -2.002 2.877 1.00 0.00 C ATOM 1227 CG MET C 81 55.717 -1.329 2.026 1.00 0.00 C ATOM 1228 SD MET C 81 55.753 0.446 2.383 1.00 0.00 S ATOM 1229 CE MET C 81 55.708 1.024 0.670 1.00 0.00 C ATOM 0 H MET C 81 56.494 -2.897 4.387 1.00 0.00 H new ATOM 0 HA MET C 81 54.623 -0.521 4.484 1.00 0.00 H new ATOM 0 HB2 MET C 81 54.710 -3.086 2.785 1.00 0.00 H new ATOM 0 HB3 MET C 81 53.647 -1.717 2.520 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.690 -1.773 2.238 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.515 -1.493 0.968 1.00 0.00 H new ATOM 0 HE1 MET C 81 56.717 1.278 0.345 1.00 0.00 H new ATOM 0 HE2 MET C 81 55.309 0.237 0.031 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.071 1.906 0.600 1.00 0.00 H new ATOM 1239 N VAL C 82 54.072 -3.575 5.528 1.00 0.00 N ATOM 1240 CA VAL C 82 53.135 -4.345 6.397 1.00 0.00 C ATOM 1241 C VAL C 82 52.916 -3.602 7.715 1.00 0.00 C ATOM 1242 O VAL C 82 51.841 -3.620 8.281 1.00 0.00 O ATOM 1243 CB VAL C 82 53.829 -5.682 6.648 1.00 0.00 C ATOM 1244 CG1 VAL C 82 52.845 -6.653 7.303 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.309 -6.265 5.317 1.00 0.00 C ATOM 0 H VAL C 82 54.892 -4.090 5.208 1.00 0.00 H new ATOM 0 HA VAL C 82 52.157 -4.477 5.935 1.00 0.00 H new ATOM 0 HB VAL C 82 54.683 -5.529 7.308 1.00 0.00 H new ATOM 0 HG11 VAL C 82 53.340 -7.607 7.482 1.00 0.00 H new ATOM 0 HG12 VAL C 82 52.502 -6.239 8.251 1.00 0.00 H new ATOM 0 HG13 VAL C 82 51.991 -6.806 6.643 1.00 0.00 H new ATOM 0 HG21 VAL C 82 54.804 -7.219 5.495 1.00 0.00 H new ATOM 0 HG22 VAL C 82 53.455 -6.417 4.657 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.010 -5.574 4.849 1.00 0.00 H new ATOM 1255 N ARG C 83 53.932 -2.949 8.207 1.00 0.00 N ATOM 1256 CA ARG C 83 53.789 -2.202 9.488 1.00 0.00 C ATOM 1257 C ARG C 83 52.668 -1.165 9.378 1.00 0.00 C ATOM 1258 O ARG C 83 52.147 -0.692 10.368 1.00 0.00 O ATOM 1259 CB ARG C 83 55.136 -1.508 9.693 1.00 0.00 C ATOM 1260 CG ARG C 83 56.003 -2.339 10.641 1.00 0.00 C ATOM 1261 CD ARG C 83 57.257 -1.544 11.014 1.00 0.00 C ATOM 1262 NE ARG C 83 58.263 -2.570 11.401 1.00 0.00 N ATOM 1263 CZ ARG C 83 58.652 -2.668 12.642 1.00 0.00 C ATOM 1264 NH1 ARG C 83 58.879 -1.589 13.342 1.00 0.00 N ATOM 1265 NH2 ARG C 83 58.814 -3.844 13.184 1.00 0.00 N ATOM 0 H ARG C 83 54.856 -2.900 7.777 1.00 0.00 H new ATOM 0 HA ARG C 83 53.534 -2.859 10.320 1.00 0.00 H new ATOM 0 HB2 ARG C 83 55.642 -1.384 8.736 1.00 0.00 H new ATOM 0 HB3 ARG C 83 54.983 -0.510 10.104 1.00 0.00 H new ATOM 0 HG2 ARG C 83 55.439 -2.592 11.539 1.00 0.00 H new ATOM 0 HG3 ARG C 83 56.283 -3.279 10.165 1.00 0.00 H new ATOM 0 HD2 ARG C 83 57.608 -0.944 10.174 1.00 0.00 H new ATOM 0 HD3 ARG C 83 57.058 -0.856 11.836 1.00 0.00 H new ATOM 0 HE ARG C 83 58.649 -3.197 10.695 1.00 0.00 H new ATOM 0 HH11 ARG C 83 58.752 -0.670 12.918 1.00 0.00 H new ATOM 0 HH12 ARG C 83 59.183 -1.665 14.313 1.00 0.00 H new ATOM 0 HH21 ARG C 83 58.636 -4.686 12.637 1.00 0.00 H new ATOM 0 HH22 ARG C 83 59.118 -3.921 14.155 1.00 0.00 H new ATOM 1279 N CYS C 84 52.297 -0.804 8.180 1.00 0.00 N ATOM 1280 CA CYS C 84 51.215 0.207 8.009 1.00 0.00 C ATOM 1281 C CYS C 84 49.918 -0.465 7.548 1.00 0.00 C ATOM 1282 O CYS C 84 48.895 0.173 7.406 1.00 0.00 O ATOM 1283 CB CYS C 84 51.732 1.164 6.935 1.00 0.00 C ATOM 1284 SG CYS C 84 50.529 2.491 6.681 1.00 0.00 S ATOM 0 H CYS C 84 52.696 -1.165 7.313 1.00 0.00 H new ATOM 0 HA CYS C 84 50.987 0.722 8.942 1.00 0.00 H new ATOM 0 HB2 CYS C 84 52.692 1.582 7.237 1.00 0.00 H new ATOM 0 HB3 CYS C 84 51.898 0.625 6.002 1.00 0.00 H new ATOM 0 HG CYS C 84 49.328 2.030 6.867 1.00 0.00 H new ATOM 1290 N MET C 85 49.951 -1.747 7.312 1.00 0.00 N ATOM 1291 CA MET C 85 48.718 -2.452 6.860 1.00 0.00 C ATOM 1292 C MET C 85 47.668 -2.451 7.976 1.00 0.00 C ATOM 1293 O MET C 85 47.712 -1.642 8.882 1.00 0.00 O ATOM 1294 CB MET C 85 49.169 -3.879 6.548 1.00 0.00 C ATOM 1295 CG MET C 85 48.865 -4.199 5.084 1.00 0.00 C ATOM 1296 SD MET C 85 48.776 -5.994 4.866 1.00 0.00 S ATOM 1297 CE MET C 85 49.555 -6.064 3.234 1.00 0.00 C ATOM 0 H MET C 85 50.777 -2.337 7.412 1.00 0.00 H new ATOM 0 HA MET C 85 48.261 -1.971 5.995 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.237 -3.985 6.741 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.655 -4.585 7.200 1.00 0.00 H new ATOM 0 HG2 MET C 85 47.922 -3.739 4.788 1.00 0.00 H new ATOM 0 HG3 MET C 85 49.640 -3.782 4.441 1.00 0.00 H new ATOM 0 HE1 MET C 85 48.813 -6.351 2.489 1.00 0.00 H new ATOM 0 HE2 MET C 85 49.962 -5.084 2.983 1.00 0.00 H new ATOM 0 HE3 MET C 85 50.360 -6.799 3.246 1.00 0.00 H new ATOM 1411 N SER I 3 54.400 6.843 4.063 1.00 0.00 N ATOM 1412 CA SER I 3 53.050 6.209 4.048 1.00 0.00 C ATOM 1413 C SER I 3 52.930 5.245 2.864 1.00 0.00 C ATOM 1414 O SER I 3 53.837 5.108 2.067 1.00 0.00 O ATOM 1415 CB SER I 3 52.067 7.368 3.893 1.00 0.00 C ATOM 1416 OG SER I 3 51.062 7.267 4.892 1.00 0.00 O ATOM 0 HA SER I 3 52.859 5.630 4.951 1.00 0.00 H new ATOM 0 HB2 SER I 3 52.591 8.319 3.983 1.00 0.00 H new ATOM 0 HB3 SER I 3 51.614 7.346 2.902 1.00 0.00 H new ATOM 0 HG SER I 3 50.430 8.010 4.797 1.00 0.00 H new ATOM 1422 N ALA I 4 51.815 4.577 2.744 1.00 0.00 N ATOM 1423 CA ALA I 4 51.634 3.622 1.614 1.00 0.00 C ATOM 1424 C ALA I 4 50.600 4.165 0.624 1.00 0.00 C ATOM 1425 O ALA I 4 50.721 3.994 -0.572 1.00 0.00 O ATOM 1426 CB ALA I 4 51.126 2.334 2.264 1.00 0.00 C ATOM 0 H ALA I 4 51.021 4.651 3.380 1.00 0.00 H new ATOM 0 HA ALA I 4 52.556 3.462 1.056 1.00 0.00 H new ATOM 0 HB1 ALA I 4 50.967 1.577 1.496 1.00 0.00 H new ATOM 0 HB2 ALA I 4 51.863 1.974 2.982 1.00 0.00 H new ATOM 0 HB3 ALA I 4 50.186 2.532 2.778 1.00 0.00 H new ATOM 1432 N ASP I 5 49.584 4.817 1.116 1.00 0.00 N ATOM 1433 CA ASP I 5 48.540 5.370 0.208 1.00 0.00 C ATOM 1434 C ASP I 5 49.082 6.587 -0.545 1.00 0.00 C ATOM 1435 O ASP I 5 48.674 6.878 -1.652 1.00 0.00 O ATOM 1436 CB ASP I 5 47.393 5.781 1.132 1.00 0.00 C ATOM 1437 CG ASP I 5 46.167 4.911 0.844 1.00 0.00 C ATOM 1438 OD1 ASP I 5 45.994 4.525 -0.300 1.00 0.00 O ATOM 1439 OD2 ASP I 5 45.423 4.646 1.774 1.00 0.00 O ATOM 0 H ASP I 5 49.431 4.991 2.109 1.00 0.00 H new ATOM 0 HA ASP I 5 48.222 4.648 -0.544 1.00 0.00 H new ATOM 0 HB2 ASP I 5 47.694 5.670 2.174 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.149 6.833 0.981 1.00 0.00 H new ATOM 1444 N ALA I 6 49.998 7.304 0.047 1.00 0.00 N ATOM 1445 CA ALA I 6 50.563 8.505 -0.633 1.00 0.00 C ATOM 1446 C ALA I 6 51.688 8.101 -1.590 1.00 0.00 C ATOM 1447 O ALA I 6 52.113 8.877 -2.421 1.00 0.00 O ATOM 1448 CB ALA I 6 51.111 9.379 0.496 1.00 0.00 C ATOM 0 H ALA I 6 50.380 7.110 0.973 1.00 0.00 H new ATOM 0 HA ALA I 6 49.815 9.027 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.546 10.286 0.076 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.301 9.646 1.175 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.877 8.829 1.043 1.00 0.00 H new ATOM 1454 N MET I 7 52.175 6.895 -1.482 1.00 0.00 N ATOM 1455 CA MET I 7 53.273 6.454 -2.391 1.00 0.00 C ATOM 1456 C MET I 7 52.697 5.927 -3.706 1.00 0.00 C ATOM 1457 O MET I 7 53.396 5.796 -4.691 1.00 0.00 O ATOM 1458 CB MET I 7 54.002 5.344 -1.631 1.00 0.00 C ATOM 1459 CG MET I 7 55.501 5.651 -1.592 1.00 0.00 C ATOM 1460 SD MET I 7 56.085 6.028 -3.264 1.00 0.00 S ATOM 1461 CE MET I 7 57.240 4.644 -3.422 1.00 0.00 C ATOM 0 H MET I 7 51.862 6.198 -0.807 1.00 0.00 H new ATOM 0 HA MET I 7 53.945 7.272 -2.651 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.610 5.265 -0.617 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.829 4.383 -2.116 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.693 6.495 -0.930 1.00 0.00 H new ATOM 0 HG3 MET I 7 56.047 4.798 -1.188 1.00 0.00 H new ATOM 0 HE1 MET I 7 58.139 4.978 -3.941 1.00 0.00 H new ATOM 0 HE2 MET I 7 57.508 4.278 -2.431 1.00 0.00 H new ATOM 0 HE3 MET I 7 56.770 3.841 -3.990 1.00 0.00 H new ATOM 1471 N MET I 8 51.428 5.626 -3.731 1.00 0.00 N ATOM 1472 CA MET I 8 50.812 5.107 -4.985 1.00 0.00 C ATOM 1473 C MET I 8 50.510 6.262 -5.944 1.00 0.00 C ATOM 1474 O MET I 8 50.887 6.236 -7.099 1.00 0.00 O ATOM 1475 CB MET I 8 49.517 4.427 -4.540 1.00 0.00 C ATOM 1476 CG MET I 8 49.839 3.314 -3.539 1.00 0.00 C ATOM 1477 SD MET I 8 51.112 2.229 -4.230 1.00 0.00 S ATOM 1478 CE MET I 8 52.546 3.137 -3.601 1.00 0.00 C ATOM 0 H MET I 8 50.792 5.717 -2.939 1.00 0.00 H new ATOM 0 HA MET I 8 51.472 4.419 -5.514 1.00 0.00 H new ATOM 0 HB2 MET I 8 48.849 5.158 -4.084 1.00 0.00 H new ATOM 0 HB3 MET I 8 48.996 4.014 -5.404 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.184 3.745 -2.599 1.00 0.00 H new ATOM 0 HG3 MET I 8 48.940 2.740 -3.315 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.296 2.431 -3.244 1.00 0.00 H new ATOM 0 HE2 MET I 8 52.971 3.745 -4.400 1.00 0.00 H new ATOM 0 HE3 MET I 8 52.236 3.783 -2.780 1.00 0.00 H new ATOM 1488 N GLN I 9 49.833 7.273 -5.476 1.00 0.00 N ATOM 1489 CA GLN I 9 49.507 8.427 -6.362 1.00 0.00 C ATOM 1490 C GLN I 9 50.667 9.427 -6.388 1.00 0.00 C ATOM 1491 O GLN I 9 50.640 10.403 -7.112 1.00 0.00 O ATOM 1492 CB GLN I 9 48.261 9.063 -5.744 1.00 0.00 C ATOM 1493 CG GLN I 9 47.047 8.765 -6.625 1.00 0.00 C ATOM 1494 CD GLN I 9 45.874 8.322 -5.749 1.00 0.00 C ATOM 1495 OE1 GLN I 9 45.969 8.333 -4.538 1.00 0.00 O ATOM 1496 NE2 GLN I 9 44.766 7.929 -6.314 1.00 0.00 N ATOM 0 H GLN I 9 49.491 7.351 -4.518 1.00 0.00 H new ATOM 0 HA GLN I 9 49.338 8.117 -7.393 1.00 0.00 H new ATOM 0 HB2 GLN I 9 48.100 8.672 -4.740 1.00 0.00 H new ATOM 0 HB3 GLN I 9 48.399 10.140 -5.648 1.00 0.00 H new ATOM 0 HG2 GLN I 9 46.773 9.652 -7.196 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.291 7.985 -7.346 1.00 0.00 H new ATOM 0 HE21 GLN I 9 44.687 7.920 -7.331 1.00 0.00 H new ATOM 0 HE22 GLN I 9 43.978 7.631 -5.739 1.00 0.00 H new ATOM 1505 N ALA I 10 51.684 9.200 -5.602 1.00 0.00 N ATOM 1506 CA ALA I 10 52.838 10.146 -5.586 1.00 0.00 C ATOM 1507 C ALA I 10 53.747 9.903 -6.793 1.00 0.00 C ATOM 1508 O ALA I 10 54.035 10.805 -7.556 1.00 0.00 O ATOM 1509 CB ALA I 10 53.582 9.841 -4.287 1.00 0.00 C ATOM 0 H ALA I 10 51.767 8.403 -4.971 1.00 0.00 H new ATOM 0 HA ALA I 10 52.516 11.186 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.448 10.498 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.916 10.005 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.914 8.803 -4.293 1.00 0.00 H new ATOM 1515 N LEU I 11 54.205 8.696 -6.973 1.00 0.00 N ATOM 1516 CA LEU I 11 55.099 8.403 -8.131 1.00 0.00 C ATOM 1517 C LEU I 11 54.904 6.960 -8.602 1.00 0.00 C ATOM 1518 O LEU I 11 55.753 6.394 -9.263 1.00 0.00 O ATOM 1519 CB LEU I 11 56.515 8.603 -7.595 1.00 0.00 C ATOM 1520 CG LEU I 11 56.697 7.777 -6.321 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.720 6.667 -6.573 1.00 0.00 C ATOM 1522 CD2 LEU I 11 57.193 8.683 -5.192 1.00 0.00 C ATOM 0 H LEU I 11 54.000 7.899 -6.370 1.00 0.00 H new ATOM 0 HA LEU I 11 54.890 9.046 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU I 11 57.246 8.301 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU I 11 56.691 9.658 -7.386 1.00 0.00 H new ATOM 0 HG LEU I 11 55.743 7.333 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU I 11 57.849 6.078 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.366 6.021 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.675 7.110 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU I 11 57.323 8.095 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU I 11 58.147 9.128 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU I 11 56.463 9.472 -5.012 1.00 0.00 H new ATOM 1534 N LEU I 12 53.797 6.359 -8.268 1.00 0.00 N ATOM 1535 CA LEU I 12 53.554 4.953 -8.699 1.00 0.00 C ATOM 1536 C LEU I 12 52.362 4.889 -9.657 1.00 0.00 C ATOM 1537 O LEU I 12 51.340 5.508 -9.435 1.00 0.00 O ATOM 1538 CB LEU I 12 53.249 4.191 -7.410 1.00 0.00 C ATOM 1539 CG LEU I 12 54.545 3.608 -6.843 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.221 2.738 -7.904 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.486 4.749 -6.445 1.00 0.00 C ATOM 0 H LEU I 12 53.050 6.779 -7.716 1.00 0.00 H new ATOM 0 HA LEU I 12 54.408 4.531 -9.230 1.00 0.00 H new ATOM 0 HB2 LEU I 12 52.788 4.858 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU I 12 52.534 3.392 -7.608 1.00 0.00 H new ATOM 0 HG LEU I 12 54.317 3.001 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.144 2.323 -7.500 1.00 0.00 H new ATOM 0 HD12 LEU I 12 54.552 1.926 -8.189 1.00 0.00 H new ATOM 0 HD13 LEU I 12 55.449 3.344 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.410 4.335 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU I 12 55.713 5.356 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU I 12 55.006 5.370 -5.689 1.00 0.00 H new