USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 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 -93:sc= 2.33 USER MOD Set 1.2: C 71 THR OG1 : rot 5:sc= 0.922 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= -0.0134 X(o=-0.013,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc= -1.05 USER MOD Single : C 16 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.42) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.301 K(o=-0.3,f=-3.2!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -97:sc= 1.08 USER MOD Single : C 37 SER OG : rot 180:sc= -0.195 USER MOD Single : C 38 THR OG1 : rot -67:sc= -0.0371 USER MOD Single : C 39 LYS NZ :NH3+ -162:sc= -0.414 (180deg=-1.04) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -113:sc= -3.63! (180deg=-5.64!) USER MOD Single : C 47 MET CE :methyl -167:sc= -12! (180deg=-12.5!) USER MOD Single : C 50 GLN : amide:sc= -0.0324 K(o=-0.032,f=-1.7!) USER MOD Single : C 51 ASN : amide:sc= -4.81! C(o=-4.8!,f=-11!) USER MOD Single : C 53 THR OG1 : rot 155:sc= -1.32! USER MOD Single : C 58 GLN : amide:sc= -2.18 K(o=-2.2,f=-0.65) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl 176:sc= 0 (180deg=-0.02) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl -166:sc= 0 (180deg=-0.304) USER MOD Single : I 3 SER OG : rot 180:sc= 0 USER MOD Single : I 7 MET CE :methyl 159:sc= -8.28! (180deg=-10.1!) USER MOD Single : I 8 MET CE :methyl -142:sc= -9.09! (180deg=-13.7!) USER MOD Single : I 9 GLN : amide:sc= -0.463 K(o=-0.46,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 56.197 -12.096 14.110 1.00 0.00 N ATOM 45 CA ILE C 4 54.868 -11.543 13.716 1.00 0.00 C ATOM 46 C ILE C 4 54.930 -10.981 12.294 1.00 0.00 C ATOM 47 O ILE C 4 54.078 -11.252 11.471 1.00 0.00 O ATOM 48 CB ILE C 4 54.592 -10.426 14.722 1.00 0.00 C ATOM 49 CG1 ILE C 4 54.693 -10.986 16.143 1.00 0.00 C ATOM 50 CG2 ILE C 4 53.185 -9.871 14.493 1.00 0.00 C ATOM 51 CD1 ILE C 4 54.311 -9.897 17.147 1.00 0.00 C ATOM 0 HA ILE C 4 54.085 -12.302 13.723 1.00 0.00 H new ATOM 0 HB ILE C 4 55.323 -9.629 14.591 1.00 0.00 H new ATOM 0 HG12 ILE C 4 54.033 -11.846 16.254 1.00 0.00 H new ATOM 0 HG13 ILE C 4 55.707 -11.335 16.337 1.00 0.00 H new ATOM 0 HG21 ILE C 4 52.987 -9.074 15.210 1.00 0.00 H new ATOM 0 HG22 ILE C 4 53.111 -9.475 13.480 1.00 0.00 H new ATOM 0 HG23 ILE C 4 52.453 -10.668 14.625 1.00 0.00 H new ATOM 0 HD11 ILE C 4 54.382 -10.294 18.159 1.00 0.00 H new ATOM 0 HD12 ILE C 4 54.989 -9.050 17.041 1.00 0.00 H new ATOM 0 HD13 ILE C 4 53.289 -9.569 16.957 1.00 0.00 H new ATOM 63 N TYR C 5 55.929 -10.196 11.999 1.00 0.00 N ATOM 64 CA TYR C 5 56.044 -9.615 10.631 1.00 0.00 C ATOM 65 C TYR C 5 56.608 -10.656 9.660 1.00 0.00 C ATOM 66 O TYR C 5 56.024 -10.943 8.635 1.00 0.00 O ATOM 67 CB TYR C 5 57.007 -8.439 10.782 1.00 0.00 C ATOM 68 CG TYR C 5 56.422 -7.436 11.746 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.475 -6.507 11.299 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.823 -7.436 13.088 1.00 0.00 C ATOM 71 CE1 TYR C 5 54.929 -5.578 12.193 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.277 -6.507 13.982 1.00 0.00 C ATOM 73 CZ TYR C 5 55.330 -5.578 13.534 1.00 0.00 C ATOM 74 OH TYR C 5 54.790 -4.663 14.416 1.00 0.00 O ATOM 0 H TYR C 5 56.671 -9.931 12.646 1.00 0.00 H new ATOM 0 HA TYR C 5 55.080 -9.301 10.231 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.973 -8.789 11.146 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.182 -7.971 9.813 1.00 0.00 H new ATOM 0 HD1 TYR C 5 55.165 -6.507 10.264 1.00 0.00 H new ATOM 0 HD2 TYR C 5 57.553 -8.153 13.433 1.00 0.00 H new ATOM 0 HE1 TYR C 5 54.198 -4.861 11.848 1.00 0.00 H new ATOM 0 HE2 TYR C 5 56.586 -6.507 15.017 1.00 0.00 H new ATOM 0 HH TYR C 5 55.175 -4.800 15.307 1.00 0.00 H new ATOM 84 N LYS C 6 57.740 -11.224 9.976 1.00 0.00 N ATOM 85 CA LYS C 6 58.335 -12.249 9.070 1.00 0.00 C ATOM 86 C LYS C 6 57.256 -13.231 8.610 1.00 0.00 C ATOM 87 O LYS C 6 57.339 -13.806 7.543 1.00 0.00 O ATOM 88 CB LYS C 6 59.387 -12.965 9.918 1.00 0.00 C ATOM 89 CG LYS C 6 60.749 -12.297 9.715 1.00 0.00 C ATOM 90 CD LYS C 6 61.782 -13.351 9.312 1.00 0.00 C ATOM 91 CE LYS C 6 62.475 -12.919 8.017 1.00 0.00 C ATOM 92 NZ LYS C 6 63.487 -11.912 8.440 1.00 0.00 N ATOM 0 H LYS C 6 58.278 -11.024 10.819 1.00 0.00 H new ATOM 0 HA LYS C 6 58.769 -11.808 8.173 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.106 -12.930 10.971 1.00 0.00 H new ATOM 0 HB3 LYS C 6 59.441 -14.017 9.638 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.678 -11.530 8.944 1.00 0.00 H new ATOM 0 HG3 LYS C 6 61.062 -11.799 10.633 1.00 0.00 H new ATOM 0 HD2 LYS C 6 62.518 -13.476 10.106 1.00 0.00 H new ATOM 0 HD3 LYS C 6 61.296 -14.317 9.172 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.946 -13.767 7.519 1.00 0.00 H new ATOM 0 HE3 LYS C 6 61.763 -12.491 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 64.004 -11.568 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 63.009 -11.114 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 64.155 -12.350 9.105 1.00 0.00 H new ATOM 106 N ALA C 7 56.242 -13.426 9.408 1.00 0.00 N ATOM 107 CA ALA C 7 55.153 -14.369 9.021 1.00 0.00 C ATOM 108 C ALA C 7 54.180 -13.687 8.056 1.00 0.00 C ATOM 109 O ALA C 7 53.871 -14.206 7.001 1.00 0.00 O ATOM 110 CB ALA C 7 54.449 -14.721 10.332 1.00 0.00 C ATOM 0 H ALA C 7 56.120 -12.972 10.313 1.00 0.00 H new ATOM 0 HA ALA C 7 55.535 -15.254 8.513 1.00 0.00 H new ATOM 0 HB1 ALA C 7 53.632 -15.414 10.132 1.00 0.00 H new ATOM 0 HB2 ALA C 7 55.161 -15.187 11.013 1.00 0.00 H new ATOM 0 HB3 ALA C 7 54.052 -13.813 10.787 1.00 0.00 H new ATOM 116 N ALA C 8 53.696 -12.528 8.407 1.00 0.00 N ATOM 117 CA ALA C 8 52.743 -11.815 7.510 1.00 0.00 C ATOM 118 C ALA C 8 53.360 -11.637 6.120 1.00 0.00 C ATOM 119 O ALA C 8 52.673 -11.654 5.118 1.00 0.00 O ATOM 120 CB ALA C 8 52.513 -10.459 8.176 1.00 0.00 C ATOM 0 H ALA C 8 53.919 -12.043 9.276 1.00 0.00 H new ATOM 0 HA ALA C 8 51.811 -12.364 7.374 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.820 -9.871 7.575 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.094 -10.609 9.171 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.462 -9.928 8.258 1.00 0.00 H new ATOM 126 N VAL C 9 54.653 -11.470 6.053 1.00 0.00 N ATOM 127 CA VAL C 9 55.314 -11.294 4.729 1.00 0.00 C ATOM 128 C VAL C 9 55.007 -12.489 3.823 1.00 0.00 C ATOM 129 O VAL C 9 54.550 -12.336 2.708 1.00 0.00 O ATOM 130 CB VAL C 9 56.808 -11.227 5.039 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.576 -10.822 3.780 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.052 -10.194 6.140 1.00 0.00 C ATOM 0 H VAL C 9 55.280 -11.448 6.858 1.00 0.00 H new ATOM 0 HA VAL C 9 54.966 -10.402 4.208 1.00 0.00 H new ATOM 0 HB VAL C 9 57.153 -12.205 5.373 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.642 -10.775 4.003 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.402 -11.558 2.995 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.232 -9.844 3.443 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.118 -10.145 6.363 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.706 -9.216 5.805 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.507 -10.484 7.038 1.00 0.00 H new ATOM 142 N GLU C 10 55.253 -13.679 4.297 1.00 0.00 N ATOM 143 CA GLU C 10 54.976 -14.885 3.469 1.00 0.00 C ATOM 144 C GLU C 10 53.468 -15.018 3.228 1.00 0.00 C ATOM 145 O GLU C 10 53.034 -15.660 2.293 1.00 0.00 O ATOM 146 CB GLU C 10 55.509 -16.055 4.303 1.00 0.00 C ATOM 147 CG GLU C 10 54.832 -17.355 3.866 1.00 0.00 C ATOM 148 CD GLU C 10 55.564 -18.548 4.487 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.588 -18.934 3.949 1.00 0.00 O ATOM 150 OE2 GLU C 10 55.087 -19.053 5.489 1.00 0.00 O ATOM 0 H GLU C 10 55.635 -13.868 5.224 1.00 0.00 H new ATOM 0 HA GLU C 10 55.445 -14.843 2.486 1.00 0.00 H new ATOM 0 HB2 GLU C 10 56.589 -16.138 4.181 1.00 0.00 H new ATOM 0 HB3 GLU C 10 55.321 -15.874 5.361 1.00 0.00 H new ATOM 0 HG2 GLU C 10 53.787 -17.355 4.176 1.00 0.00 H new ATOM 0 HG3 GLU C 10 54.842 -17.435 2.779 1.00 0.00 H new ATOM 157 N GLN C 11 52.667 -14.413 4.063 1.00 0.00 N ATOM 158 CA GLN C 11 51.190 -14.503 3.878 1.00 0.00 C ATOM 159 C GLN C 11 50.732 -13.495 2.821 1.00 0.00 C ATOM 160 O GLN C 11 49.554 -13.331 2.573 1.00 0.00 O ATOM 161 CB GLN C 11 50.595 -14.158 5.244 1.00 0.00 C ATOM 162 CG GLN C 11 50.015 -15.421 5.883 1.00 0.00 C ATOM 163 CD GLN C 11 49.024 -15.029 6.982 1.00 0.00 C ATOM 164 OE1 GLN C 11 47.900 -15.490 6.995 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.398 -14.195 7.912 1.00 0.00 N ATOM 0 H GLN C 11 52.971 -13.861 4.865 1.00 0.00 H new ATOM 0 HA GLN C 11 50.875 -15.489 3.537 1.00 0.00 H new ATOM 0 HB2 GLN C 11 51.363 -13.731 5.889 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.816 -13.404 5.133 1.00 0.00 H new ATOM 0 HG2 GLN C 11 49.515 -16.027 5.127 1.00 0.00 H new ATOM 0 HG3 GLN C 11 50.816 -16.030 6.301 1.00 0.00 H new ATOM 0 HE21 GLN C 11 50.342 -13.808 7.901 1.00 0.00 H new ATOM 0 HE22 GLN C 11 48.747 -13.929 8.651 1.00 0.00 H new ATOM 174 N LEU C 12 51.656 -12.816 2.196 1.00 0.00 N ATOM 175 CA LEU C 12 51.277 -11.817 1.157 1.00 0.00 C ATOM 176 C LEU C 12 50.883 -12.528 -0.142 1.00 0.00 C ATOM 177 O LEU C 12 51.110 -13.710 -0.307 1.00 0.00 O ATOM 178 CB LEU C 12 52.534 -10.971 0.950 1.00 0.00 C ATOM 179 CG LEU C 12 52.603 -9.889 2.027 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.940 -9.152 1.931 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.458 -8.894 1.822 1.00 0.00 C ATOM 0 H LEU C 12 52.658 -12.911 2.361 1.00 0.00 H new ATOM 0 HA LEU C 12 50.422 -11.210 1.455 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.422 -11.602 0.996 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.519 -10.514 -0.039 1.00 0.00 H new ATOM 0 HG LEU C 12 52.515 -10.351 3.010 1.00 0.00 H new ATOM 0 HD11 LEU C 12 53.987 -8.381 2.700 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.757 -9.859 2.076 1.00 0.00 H new ATOM 0 HD13 LEU C 12 54.031 -8.690 0.948 1.00 0.00 H new ATOM 0 HD21 LEU C 12 51.506 -8.121 2.589 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.548 -8.434 0.838 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.504 -9.417 1.893 1.00 0.00 H new ATOM 193 N THR C 13 50.293 -11.816 -1.063 1.00 0.00 N ATOM 194 CA THR C 13 49.885 -12.454 -2.349 1.00 0.00 C ATOM 195 C THR C 13 50.440 -11.663 -3.537 1.00 0.00 C ATOM 196 O THR C 13 51.001 -10.597 -3.379 1.00 0.00 O ATOM 197 CB THR C 13 48.357 -12.410 -2.344 1.00 0.00 C ATOM 198 OG1 THR C 13 47.924 -11.116 -1.947 1.00 0.00 O ATOM 199 CG2 THR C 13 47.816 -13.454 -1.366 1.00 0.00 C ATOM 0 H THR C 13 50.076 -10.823 -0.982 1.00 0.00 H new ATOM 0 HA THR C 13 50.265 -13.471 -2.442 1.00 0.00 H new ATOM 0 HB THR C 13 47.984 -12.628 -3.345 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.944 -11.085 -1.945 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.727 -13.421 -1.364 1.00 0.00 H new ATOM 0 HG22 THR C 13 48.148 -14.446 -1.672 1.00 0.00 H new ATOM 0 HG23 THR C 13 48.187 -13.240 -0.364 1.00 0.00 H new ATOM 207 N GLU C 14 50.288 -12.179 -4.727 1.00 0.00 N ATOM 208 CA GLU C 14 50.806 -11.459 -5.924 1.00 0.00 C ATOM 209 C GLU C 14 50.060 -10.133 -6.112 1.00 0.00 C ATOM 210 O GLU C 14 50.560 -9.213 -6.727 1.00 0.00 O ATOM 211 CB GLU C 14 50.534 -12.398 -7.099 1.00 0.00 C ATOM 212 CG GLU C 14 49.065 -12.822 -7.085 1.00 0.00 C ATOM 213 CD GLU C 14 48.971 -14.344 -7.205 1.00 0.00 C ATOM 214 OE1 GLU C 14 49.926 -14.941 -7.674 1.00 0.00 O ATOM 215 OE2 GLU C 14 47.946 -14.886 -6.827 1.00 0.00 O ATOM 0 H GLU C 14 49.827 -13.068 -4.921 1.00 0.00 H new ATOM 0 HA GLU C 14 51.865 -11.216 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.770 -11.899 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU C 14 51.177 -13.276 -7.033 1.00 0.00 H new ATOM 0 HG2 GLU C 14 48.588 -12.489 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU C 14 48.531 -12.348 -7.909 1.00 0.00 H new ATOM 222 N GLU C 15 48.870 -10.030 -5.587 1.00 0.00 N ATOM 223 CA GLU C 15 48.099 -8.761 -5.738 1.00 0.00 C ATOM 224 C GLU C 15 48.794 -7.632 -4.974 1.00 0.00 C ATOM 225 O GLU C 15 48.987 -6.547 -5.488 1.00 0.00 O ATOM 226 CB GLU C 15 46.725 -9.055 -5.133 1.00 0.00 C ATOM 227 CG GLU C 15 45.658 -8.970 -6.225 1.00 0.00 C ATOM 228 CD GLU C 15 44.277 -9.202 -5.610 1.00 0.00 C ATOM 229 OE1 GLU C 15 43.939 -8.490 -4.678 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.580 -10.085 -6.081 1.00 0.00 O ATOM 0 H GLU C 15 48.398 -10.766 -5.062 1.00 0.00 H new ATOM 0 HA GLU C 15 48.023 -8.443 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.720 -10.047 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.505 -8.341 -4.339 1.00 0.00 H new ATOM 0 HG2 GLU C 15 45.693 -7.993 -6.707 1.00 0.00 H new ATOM 0 HG3 GLU C 15 45.853 -9.714 -6.997 1.00 0.00 H new ATOM 237 N GLN C 16 49.180 -7.881 -3.752 1.00 0.00 N ATOM 238 CA GLN C 16 49.872 -6.823 -2.957 1.00 0.00 C ATOM 239 C GLN C 16 51.333 -6.736 -3.394 1.00 0.00 C ATOM 240 O GLN C 16 51.826 -5.685 -3.752 1.00 0.00 O ATOM 241 CB GLN C 16 49.782 -7.272 -1.492 1.00 0.00 C ATOM 242 CG GLN C 16 48.453 -7.989 -1.240 1.00 0.00 C ATOM 243 CD GLN C 16 47.994 -7.729 0.196 1.00 0.00 C ATOM 244 OE1 GLN C 16 47.178 -6.862 0.438 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.486 -8.450 1.167 1.00 0.00 N ATOM 0 H GLN C 16 49.047 -8.770 -3.269 1.00 0.00 H new ATOM 0 HA GLN C 16 49.420 -5.841 -3.098 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.613 -7.937 -1.256 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.868 -6.408 -0.833 1.00 0.00 H new ATOM 0 HG2 GLN C 16 47.699 -7.636 -1.943 1.00 0.00 H new ATOM 0 HG3 GLN C 16 48.568 -9.060 -1.407 1.00 0.00 H new ATOM 0 HE21 GLN C 16 49.171 -9.178 0.965 1.00 0.00 H new ATOM 0 HE22 GLN C 16 48.185 -8.285 2.128 1.00 0.00 H new ATOM 254 N LYS C 17 52.026 -7.841 -3.372 1.00 0.00 N ATOM 255 CA LYS C 17 53.456 -7.830 -3.793 1.00 0.00 C ATOM 256 C LYS C 17 53.619 -6.981 -5.056 1.00 0.00 C ATOM 257 O LYS C 17 54.565 -6.229 -5.194 1.00 0.00 O ATOM 258 CB LYS C 17 53.798 -9.292 -4.081 1.00 0.00 C ATOM 259 CG LYS C 17 55.023 -9.702 -3.261 1.00 0.00 C ATOM 260 CD LYS C 17 54.674 -10.911 -2.391 1.00 0.00 C ATOM 261 CE LYS C 17 55.941 -11.725 -2.118 1.00 0.00 C ATOM 262 NZ LYS C 17 55.946 -12.789 -3.159 1.00 0.00 N ATOM 0 H LYS C 17 51.665 -8.750 -3.081 1.00 0.00 H new ATOM 0 HA LYS C 17 54.110 -7.405 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS C 17 52.950 -9.930 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.997 -9.427 -5.144 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.853 -9.946 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS C 17 55.349 -8.872 -2.634 1.00 0.00 H new ATOM 0 HD2 LYS C 17 54.231 -10.581 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS C 17 53.931 -11.531 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS C 17 56.833 -11.102 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS C 17 55.927 -12.153 -1.116 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 56.786 -13.390 -3.038 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 55.089 -13.370 -3.065 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 55.967 -12.352 -4.102 1.00 0.00 H new ATOM 276 N ASN C 18 52.701 -7.093 -5.976 1.00 0.00 N ATOM 277 CA ASN C 18 52.798 -6.290 -7.228 1.00 0.00 C ATOM 278 C ASN C 18 52.969 -4.808 -6.884 1.00 0.00 C ATOM 279 O ASN C 18 53.860 -4.145 -7.377 1.00 0.00 O ATOM 280 CB ASN C 18 51.471 -6.523 -7.951 1.00 0.00 C ATOM 281 CG ASN C 18 51.660 -7.583 -9.036 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.759 -8.048 -9.265 1.00 0.00 O ATOM 283 ND2 ASN C 18 50.625 -7.989 -9.721 1.00 0.00 N ATOM 0 H ASN C 18 51.888 -7.706 -5.915 1.00 0.00 H new ATOM 0 HA ASN C 18 53.651 -6.578 -7.843 1.00 0.00 H new ATOM 0 HB2 ASN C 18 50.710 -6.846 -7.241 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.118 -5.592 -8.395 1.00 0.00 H new ATOM 0 HD21 ASN C 18 50.740 -8.696 -10.447 1.00 0.00 H new ATOM 0 HD22 ASN C 18 49.702 -7.599 -9.530 1.00 0.00 H new ATOM 290 N GLU C 19 52.121 -4.287 -6.040 1.00 0.00 N ATOM 291 CA GLU C 19 52.237 -2.851 -5.660 1.00 0.00 C ATOM 292 C GLU C 19 53.648 -2.559 -5.148 1.00 0.00 C ATOM 293 O GLU C 19 54.224 -1.529 -5.434 1.00 0.00 O ATOM 294 CB GLU C 19 51.211 -2.655 -4.543 1.00 0.00 C ATOM 295 CG GLU C 19 50.185 -1.602 -4.965 1.00 0.00 C ATOM 296 CD GLU C 19 48.803 -1.998 -4.442 1.00 0.00 C ATOM 297 OE1 GLU C 19 48.746 -2.794 -3.520 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.825 -1.498 -4.973 1.00 0.00 O ATOM 0 H GLU C 19 51.354 -4.793 -5.598 1.00 0.00 H new ATOM 0 HA GLU C 19 52.056 -2.182 -6.501 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.710 -3.599 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.712 -2.342 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU C 19 50.468 -0.625 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU C 19 50.163 -1.515 -6.051 1.00 0.00 H new ATOM 305 N PHE C 20 54.209 -3.461 -4.388 1.00 0.00 N ATOM 306 CA PHE C 20 55.583 -3.239 -3.853 1.00 0.00 C ATOM 307 C PHE C 20 56.621 -3.359 -4.973 1.00 0.00 C ATOM 308 O PHE C 20 57.488 -2.522 -5.121 1.00 0.00 O ATOM 309 CB PHE C 20 55.788 -4.346 -2.817 1.00 0.00 C ATOM 310 CG PHE C 20 54.566 -4.452 -1.934 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.728 -3.345 -1.755 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.272 -5.662 -1.294 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.598 -3.448 -0.936 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.142 -5.765 -0.475 1.00 0.00 C ATOM 315 CZ PHE C 20 52.304 -4.658 -0.295 1.00 0.00 C ATOM 0 H PHE C 20 53.775 -4.342 -4.115 1.00 0.00 H new ATOM 0 HA PHE C 20 55.698 -2.245 -3.421 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.970 -5.297 -3.318 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.668 -4.132 -2.211 1.00 0.00 H new ATOM 0 HD1 PHE C 20 53.954 -2.411 -2.249 1.00 0.00 H new ATOM 0 HD2 PHE C 20 54.918 -6.517 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE C 20 51.952 -2.594 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.916 -6.699 0.018 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.432 -4.737 0.337 1.00 0.00 H new ATOM 325 N LYS C 21 56.541 -4.398 -5.760 1.00 0.00 N ATOM 326 CA LYS C 21 57.526 -4.574 -6.867 1.00 0.00 C ATOM 327 C LYS C 21 57.722 -3.259 -7.626 1.00 0.00 C ATOM 328 O LYS C 21 58.760 -3.016 -8.207 1.00 0.00 O ATOM 329 CB LYS C 21 56.909 -5.632 -7.781 1.00 0.00 C ATOM 330 CG LYS C 21 57.748 -6.911 -7.724 1.00 0.00 C ATOM 331 CD LYS C 21 58.129 -7.335 -9.143 1.00 0.00 C ATOM 332 CE LYS C 21 59.196 -8.430 -9.081 1.00 0.00 C ATOM 333 NZ LYS C 21 58.873 -9.356 -10.205 1.00 0.00 N ATOM 0 H LYS C 21 55.837 -5.132 -5.685 1.00 0.00 H new ATOM 0 HA LYS C 21 58.507 -4.872 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS C 21 55.885 -5.842 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.863 -5.261 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.646 -6.743 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS C 21 57.186 -7.706 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS C 21 57.249 -7.700 -9.673 1.00 0.00 H new ATOM 0 HD3 LYS C 21 58.505 -6.478 -9.701 1.00 0.00 H new ATOM 0 HE2 LYS C 21 60.196 -8.011 -9.191 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.171 -8.950 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 59.564 -10.133 -10.224 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 57.918 -9.745 -10.071 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.911 -8.836 -11.105 1.00 0.00 H new ATOM 347 N ALA C 22 56.731 -2.411 -7.629 1.00 0.00 N ATOM 348 CA ALA C 22 56.862 -1.114 -8.356 1.00 0.00 C ATOM 349 C ALA C 22 57.869 -0.205 -7.645 1.00 0.00 C ATOM 350 O ALA C 22 58.871 0.189 -8.208 1.00 0.00 O ATOM 351 CB ALA C 22 55.463 -0.499 -8.323 1.00 0.00 C ATOM 0 H ALA C 22 55.837 -2.558 -7.161 1.00 0.00 H new ATOM 0 HA ALA C 22 57.224 -1.247 -9.375 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.475 0.461 -8.839 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.760 -1.168 -8.818 1.00 0.00 H new ATOM 0 HB3 ALA C 22 55.155 -0.350 -7.288 1.00 0.00 H new ATOM 357 N ALA C 23 57.610 0.131 -6.411 1.00 0.00 N ATOM 358 CA ALA C 23 58.551 1.016 -5.664 1.00 0.00 C ATOM 359 C ALA C 23 59.982 0.480 -5.769 1.00 0.00 C ATOM 360 O ALA C 23 60.875 1.154 -6.244 1.00 0.00 O ATOM 361 CB ALA C 23 58.068 0.971 -4.215 1.00 0.00 C ATOM 0 H ALA C 23 56.788 -0.169 -5.887 1.00 0.00 H new ATOM 0 HA ALA C 23 58.564 2.031 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.710 1.599 -3.598 1.00 0.00 H new ATOM 0 HB2 ALA C 23 57.043 1.337 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA C 23 58.106 -0.056 -3.851 1.00 0.00 H new ATOM 367 N PHE C 24 60.209 -0.726 -5.324 1.00 0.00 N ATOM 368 CA PHE C 24 61.583 -1.301 -5.396 1.00 0.00 C ATOM 369 C PHE C 24 62.226 -0.976 -6.748 1.00 0.00 C ATOM 370 O PHE C 24 63.380 -0.605 -6.825 1.00 0.00 O ATOM 371 CB PHE C 24 61.390 -2.811 -5.238 1.00 0.00 C ATOM 372 CG PHE C 24 62.636 -3.534 -5.690 1.00 0.00 C ATOM 373 CD1 PHE C 24 63.893 -2.947 -5.500 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.535 -4.790 -6.300 1.00 0.00 C ATOM 375 CE1 PHE C 24 65.050 -3.615 -5.920 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.692 -5.459 -6.720 1.00 0.00 C ATOM 377 CZ PHE C 24 64.949 -4.872 -6.530 1.00 0.00 C ATOM 0 H PHE C 24 59.503 -1.338 -4.914 1.00 0.00 H new ATOM 0 HA PHE C 24 62.242 -0.893 -4.629 1.00 0.00 H new ATOM 0 HB2 PHE C 24 61.175 -3.053 -4.197 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.533 -3.141 -5.825 1.00 0.00 H new ATOM 0 HD1 PHE C 24 63.970 -1.978 -5.029 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.566 -5.243 -6.447 1.00 0.00 H new ATOM 0 HE1 PHE C 24 66.019 -3.161 -5.774 1.00 0.00 H new ATOM 0 HE2 PHE C 24 63.614 -6.428 -7.191 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.841 -5.388 -6.854 1.00 0.00 H new ATOM 387 N ASP C 25 61.488 -1.114 -7.815 1.00 0.00 N ATOM 388 CA ASP C 25 62.057 -0.816 -9.161 1.00 0.00 C ATOM 389 C ASP C 25 62.478 0.654 -9.249 1.00 0.00 C ATOM 390 O ASP C 25 63.539 0.976 -9.747 1.00 0.00 O ATOM 391 CB ASP C 25 60.923 -1.109 -10.142 1.00 0.00 C ATOM 392 CG ASP C 25 60.918 -2.600 -10.487 1.00 0.00 C ATOM 393 OD1 ASP C 25 60.610 -3.389 -9.610 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.219 -2.926 -11.623 1.00 0.00 O ATOM 0 H ASP C 25 60.515 -1.420 -7.814 1.00 0.00 H new ATOM 0 HA ASP C 25 62.945 -1.411 -9.373 1.00 0.00 H new ATOM 0 HB2 ASP C 25 59.967 -0.823 -9.704 1.00 0.00 H new ATOM 0 HB3 ASP C 25 61.049 -0.516 -11.048 1.00 0.00 H new ATOM 399 N ILE C 26 61.655 1.547 -8.771 1.00 0.00 N ATOM 400 CA ILE C 26 62.010 2.995 -8.830 1.00 0.00 C ATOM 401 C ILE C 26 62.932 3.364 -7.663 1.00 0.00 C ATOM 402 O ILE C 26 63.748 4.260 -7.766 1.00 0.00 O ATOM 403 CB ILE C 26 60.674 3.733 -8.717 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.854 3.493 -9.986 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.925 5.234 -8.554 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.995 2.240 -9.809 1.00 0.00 C ATOM 0 H ILE C 26 60.753 1.338 -8.343 1.00 0.00 H new ATOM 0 HA ILE C 26 62.543 3.254 -9.745 1.00 0.00 H new ATOM 0 HB ILE C 26 60.129 3.361 -7.850 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.220 4.356 -10.191 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.517 3.374 -10.843 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.971 5.756 -8.474 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.511 5.409 -7.652 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.471 5.608 -9.420 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.411 2.069 -10.713 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.639 1.380 -9.625 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.322 2.377 -8.963 1.00 0.00 H new ATOM 418 N PHE C 27 62.809 2.684 -6.556 1.00 0.00 N ATOM 419 CA PHE C 27 63.681 3.001 -5.387 1.00 0.00 C ATOM 420 C PHE C 27 65.156 2.885 -5.780 1.00 0.00 C ATOM 421 O PHE C 27 66.019 3.483 -5.169 1.00 0.00 O ATOM 422 CB PHE C 27 63.320 1.958 -4.331 1.00 0.00 C ATOM 423 CG PHE C 27 62.584 2.627 -3.195 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.569 3.551 -3.467 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.919 2.325 -1.869 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.887 4.171 -2.413 1.00 0.00 C ATOM 427 CE2 PHE C 27 62.238 2.945 -0.816 1.00 0.00 C ATOM 428 CZ PHE C 27 61.222 3.869 -1.088 1.00 0.00 C ATOM 0 H PHE C 27 62.144 1.924 -6.410 1.00 0.00 H new ATOM 0 HA PHE C 27 63.531 4.017 -5.022 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.699 1.178 -4.772 1.00 0.00 H new ATOM 0 HB3 PHE C 27 64.223 1.474 -3.959 1.00 0.00 H new ATOM 0 HD1 PHE C 27 61.312 3.786 -4.489 1.00 0.00 H new ATOM 0 HD2 PHE C 27 63.704 1.613 -1.659 1.00 0.00 H new ATOM 0 HE1 PHE C 27 60.102 4.883 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE C 27 62.496 2.711 0.206 1.00 0.00 H new ATOM 0 HZ PHE C 27 60.697 4.349 -0.275 1.00 0.00 H new ATOM 438 N VAL C 28 65.452 2.120 -6.794 1.00 0.00 N ATOM 439 CA VAL C 28 66.872 1.966 -7.223 1.00 0.00 C ATOM 440 C VAL C 28 67.097 2.670 -8.565 1.00 0.00 C ATOM 441 O VAL C 28 68.142 2.547 -9.173 1.00 0.00 O ATOM 442 CB VAL C 28 67.082 0.459 -7.365 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.613 -0.245 -6.091 1.00 0.00 C ATOM 444 CG2 VAL C 28 66.272 -0.057 -8.557 1.00 0.00 C ATOM 0 H VAL C 28 64.773 1.595 -7.345 1.00 0.00 H new ATOM 0 HA VAL C 28 67.569 2.408 -6.512 1.00 0.00 H new ATOM 0 HB VAL C 28 68.140 0.254 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.763 -1.320 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL C 28 67.187 0.122 -5.240 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.555 -0.040 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL C 28 66.421 -1.132 -8.660 1.00 0.00 H new ATOM 0 HG22 VAL C 28 65.214 0.149 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.604 0.444 -9.467 1.00 0.00 H new ATOM 454 N LEU C 29 66.125 3.404 -9.030 1.00 0.00 N ATOM 455 CA LEU C 29 66.282 4.114 -10.333 1.00 0.00 C ATOM 456 C LEU C 29 67.580 4.927 -10.342 1.00 0.00 C ATOM 457 O LEU C 29 67.604 6.080 -9.960 1.00 0.00 O ATOM 458 CB LEU C 29 65.068 5.041 -10.427 1.00 0.00 C ATOM 459 CG LEU C 29 64.560 5.074 -11.870 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.199 5.770 -11.915 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.553 5.844 -12.742 1.00 0.00 C ATOM 0 H LEU C 29 65.228 3.544 -8.565 1.00 0.00 H new ATOM 0 HA LEU C 29 66.335 3.424 -11.175 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.279 4.693 -9.761 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.339 6.046 -10.103 1.00 0.00 H new ATOM 0 HG LEU C 29 64.461 4.055 -12.244 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.836 5.794 -12.943 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.490 5.224 -11.293 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.299 6.789 -11.542 1.00 0.00 H new ATOM 0 HD21 LEU C 29 65.192 5.868 -13.770 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.651 6.863 -12.368 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.524 5.350 -12.710 1.00 0.00 H new ATOM 473 N GLY C 30 68.660 4.333 -10.776 1.00 0.00 N ATOM 474 CA GLY C 30 69.955 5.071 -10.810 1.00 0.00 C ATOM 475 C GLY C 30 71.020 4.274 -10.054 1.00 0.00 C ATOM 476 O GLY C 30 72.201 4.531 -10.173 1.00 0.00 O ATOM 0 H GLY C 30 68.701 3.369 -11.108 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.268 5.228 -11.842 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.836 6.056 -10.359 1.00 0.00 H new ATOM 480 N ALA C 31 70.610 3.309 -9.277 1.00 0.00 N ATOM 481 CA ALA C 31 71.602 2.496 -8.512 1.00 0.00 C ATOM 482 C ALA C 31 72.510 1.725 -9.474 1.00 0.00 C ATOM 483 O ALA C 31 72.387 1.828 -10.678 1.00 0.00 O ATOM 484 CB ALA C 31 70.763 1.529 -7.676 1.00 0.00 C ATOM 0 H ALA C 31 69.634 3.048 -9.138 1.00 0.00 H new ATOM 0 HA ALA C 31 72.250 3.115 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.422 0.895 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA C 31 70.110 2.095 -7.012 1.00 0.00 H new ATOM 0 HB3 ALA C 31 70.158 0.907 -8.336 1.00 0.00 H new ATOM 490 N GLU C 32 73.421 0.952 -8.949 1.00 0.00 N ATOM 491 CA GLU C 32 74.338 0.174 -9.831 1.00 0.00 C ATOM 492 C GLU C 32 73.999 -1.318 -9.752 1.00 0.00 C ATOM 493 O GLU C 32 73.750 -1.963 -10.751 1.00 0.00 O ATOM 494 CB GLU C 32 75.745 0.430 -9.280 1.00 0.00 C ATOM 495 CG GLU C 32 75.891 1.903 -8.889 1.00 0.00 C ATOM 496 CD GLU C 32 77.342 2.342 -9.086 1.00 0.00 C ATOM 497 OE1 GLU C 32 78.217 1.699 -8.529 1.00 0.00 O ATOM 498 OE2 GLU C 32 77.555 3.317 -9.789 1.00 0.00 O ATOM 0 H GLU C 32 73.570 0.825 -7.948 1.00 0.00 H new ATOM 0 HA GLU C 32 74.253 0.471 -10.876 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.927 -0.205 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.492 0.168 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.228 2.519 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU C 32 75.595 2.045 -7.850 1.00 0.00 H new ATOM 505 N ASP C 33 73.986 -1.867 -8.568 1.00 0.00 N ATOM 506 CA ASP C 33 73.662 -3.315 -8.420 1.00 0.00 C ATOM 507 C ASP C 33 72.145 -3.522 -8.453 1.00 0.00 C ATOM 508 O ASP C 33 71.617 -4.178 -9.329 1.00 0.00 O ATOM 509 CB ASP C 33 74.228 -3.708 -7.056 1.00 0.00 C ATOM 510 CG ASP C 33 74.633 -5.183 -7.073 1.00 0.00 C ATOM 511 OD1 ASP C 33 75.691 -5.481 -7.600 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.876 -5.991 -6.559 1.00 0.00 O ATOM 0 H ASP C 33 74.186 -1.376 -7.697 1.00 0.00 H new ATOM 0 HA ASP C 33 74.082 -3.918 -9.225 1.00 0.00 H new ATOM 0 HB2 ASP C 33 75.091 -3.086 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.484 -3.534 -6.279 1.00 0.00 H new ATOM 517 N GLY C 34 71.439 -2.966 -7.506 1.00 0.00 N ATOM 518 CA GLY C 34 69.958 -3.132 -7.487 1.00 0.00 C ATOM 519 C GLY C 34 69.452 -3.086 -6.043 1.00 0.00 C ATOM 520 O GLY C 34 68.592 -3.850 -5.653 1.00 0.00 O ATOM 0 H GLY C 34 71.823 -2.405 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.486 -2.343 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.683 -4.080 -7.949 1.00 0.00 H new ATOM 524 N CYS C 35 69.974 -2.193 -5.247 1.00 0.00 N ATOM 525 CA CYS C 35 69.514 -2.100 -3.832 1.00 0.00 C ATOM 526 C CYS C 35 69.148 -0.655 -3.489 1.00 0.00 C ATOM 527 O CYS C 35 69.136 0.211 -4.342 1.00 0.00 O ATOM 528 CB CYS C 35 70.706 -2.561 -2.993 1.00 0.00 C ATOM 529 SG CYS C 35 70.940 -4.343 -3.205 1.00 0.00 S ATOM 0 H CYS C 35 70.697 -1.525 -5.514 1.00 0.00 H new ATOM 0 HA CYS C 35 68.627 -2.707 -3.648 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.606 -2.027 -3.296 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.536 -2.328 -1.942 1.00 0.00 H new ATOM 0 HG CYS C 35 70.368 -4.976 -2.224 1.00 0.00 H new ATOM 535 N ILE C 36 68.852 -0.387 -2.248 1.00 0.00 N ATOM 536 CA ILE C 36 68.489 1.004 -1.857 1.00 0.00 C ATOM 537 C ILE C 36 69.403 1.494 -0.730 1.00 0.00 C ATOM 538 O ILE C 36 69.808 0.739 0.131 1.00 0.00 O ATOM 539 CB ILE C 36 67.040 0.926 -1.376 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.187 0.214 -2.431 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.501 2.342 -1.160 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.939 -0.371 -1.767 1.00 0.00 C ATOM 0 H ILE C 36 68.846 -1.069 -1.489 1.00 0.00 H new ATOM 0 HA ILE C 36 68.602 1.703 -2.686 1.00 0.00 H new ATOM 0 HB ILE C 36 66.998 0.370 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.900 0.914 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.764 -0.579 -2.907 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.468 2.290 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.107 2.852 -0.411 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.544 2.895 -2.098 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.332 -0.878 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.236 -1.084 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.359 0.432 -1.312 1.00 0.00 H new ATOM 554 N SER C 37 69.727 2.756 -0.737 1.00 0.00 N ATOM 555 CA SER C 37 70.613 3.316 0.322 1.00 0.00 C ATOM 556 C SER C 37 70.296 4.794 0.512 1.00 0.00 C ATOM 557 O SER C 37 71.168 5.605 0.739 1.00 0.00 O ATOM 558 CB SER C 37 72.020 3.151 -0.224 1.00 0.00 C ATOM 559 OG SER C 37 72.936 3.030 0.857 1.00 0.00 O ATOM 0 H SER C 37 69.414 3.429 -1.436 1.00 0.00 H new ATOM 0 HA SER C 37 70.487 2.821 1.285 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.073 2.268 -0.861 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.284 4.008 -0.844 1.00 0.00 H new ATOM 0 HG SER C 37 73.844 2.922 0.506 1.00 0.00 H new ATOM 565 N THR C 38 69.047 5.134 0.388 1.00 0.00 N ATOM 566 CA THR C 38 68.595 6.559 0.523 1.00 0.00 C ATOM 567 C THR C 38 68.946 7.332 -0.751 1.00 0.00 C ATOM 568 O THR C 38 68.115 8.009 -1.322 1.00 0.00 O ATOM 569 CB THR C 38 69.318 7.160 1.742 1.00 0.00 C ATOM 570 OG1 THR C 38 70.570 7.699 1.343 1.00 0.00 O ATOM 571 CG2 THR C 38 69.528 6.093 2.820 1.00 0.00 C ATOM 0 H THR C 38 68.295 4.472 0.194 1.00 0.00 H new ATOM 0 HA THR C 38 67.516 6.617 0.664 1.00 0.00 H new ATOM 0 HB THR C 38 68.700 7.956 2.157 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.167 6.972 1.069 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.040 6.535 3.674 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.561 5.703 3.139 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.132 5.281 2.415 1.00 0.00 H new ATOM 579 N LYS C 39 70.164 7.228 -1.212 1.00 0.00 N ATOM 580 CA LYS C 39 70.544 7.949 -2.459 1.00 0.00 C ATOM 581 C LYS C 39 69.492 7.690 -3.539 1.00 0.00 C ATOM 582 O LYS C 39 69.067 8.590 -4.237 1.00 0.00 O ATOM 583 CB LYS C 39 71.891 7.354 -2.867 1.00 0.00 C ATOM 584 CG LYS C 39 73.021 8.234 -2.331 1.00 0.00 C ATOM 585 CD LYS C 39 74.259 8.068 -3.215 1.00 0.00 C ATOM 586 CE LYS C 39 74.474 9.343 -4.033 1.00 0.00 C ATOM 587 NZ LYS C 39 73.207 9.529 -4.794 1.00 0.00 N ATOM 0 H LYS C 39 70.907 6.678 -0.781 1.00 0.00 H new ATOM 0 HA LYS C 39 70.607 9.028 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.987 6.342 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.955 7.283 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.708 9.278 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS C 39 73.255 7.958 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS C 39 75.135 7.866 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS C 39 74.133 7.213 -3.880 1.00 0.00 H new ATOM 0 HE2 LYS C 39 74.676 10.197 -3.387 1.00 0.00 H new ATOM 0 HE3 LYS C 39 75.327 9.243 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 73.371 10.180 -5.588 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 72.884 8.611 -5.160 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 72.480 9.926 -4.166 1.00 0.00 H new ATOM 601 N GLU C 40 69.056 6.465 -3.669 1.00 0.00 N ATOM 602 CA GLU C 40 68.018 6.147 -4.690 1.00 0.00 C ATOM 603 C GLU C 40 66.633 6.243 -4.048 1.00 0.00 C ATOM 604 O GLU C 40 65.667 6.629 -4.675 1.00 0.00 O ATOM 605 CB GLU C 40 68.303 4.707 -5.125 1.00 0.00 C ATOM 606 CG GLU C 40 69.809 4.505 -5.309 1.00 0.00 C ATOM 607 CD GLU C 40 70.295 5.332 -6.501 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.537 6.169 -6.965 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.416 5.115 -6.931 1.00 0.00 O ATOM 0 H GLU C 40 69.374 5.672 -3.112 1.00 0.00 H new ATOM 0 HA GLU C 40 68.042 6.833 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.923 4.010 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.782 4.490 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU C 40 70.340 4.804 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU C 40 70.028 3.450 -5.472 1.00 0.00 H new ATOM 616 N LEU C 41 66.539 5.892 -2.795 1.00 0.00 N ATOM 617 CA LEU C 41 65.228 5.957 -2.089 1.00 0.00 C ATOM 618 C LEU C 41 64.787 7.421 -1.939 1.00 0.00 C ATOM 619 O LEU C 41 63.625 7.745 -2.080 1.00 0.00 O ATOM 620 CB LEU C 41 65.503 5.294 -0.726 1.00 0.00 C ATOM 621 CG LEU C 41 64.846 6.082 0.414 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.325 6.033 0.258 1.00 0.00 C ATOM 623 CD2 LEU C 41 65.241 5.461 1.756 1.00 0.00 C ATOM 0 H LEU C 41 67.319 5.561 -2.227 1.00 0.00 H new ATOM 0 HA LEU C 41 64.420 5.455 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.123 4.272 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.578 5.234 -0.558 1.00 0.00 H new ATOM 0 HG LEU C 41 65.181 7.119 0.380 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.858 6.593 1.068 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.043 6.474 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.989 4.997 0.292 1.00 0.00 H new ATOM 0 HD21 LEU C 41 64.775 6.020 2.567 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.905 4.424 1.790 1.00 0.00 H new ATOM 0 HD23 LEU C 41 66.325 5.495 1.868 1.00 0.00 H new ATOM 635 N GLY C 42 65.706 8.302 -1.651 1.00 0.00 N ATOM 636 CA GLY C 42 65.337 9.736 -1.489 1.00 0.00 C ATOM 637 C GLY C 42 64.768 10.273 -2.803 1.00 0.00 C ATOM 638 O GLY C 42 63.832 11.047 -2.814 1.00 0.00 O ATOM 0 H GLY C 42 66.695 8.090 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.602 9.845 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY C 42 66.212 10.316 -1.196 1.00 0.00 H new ATOM 642 N LYS C 43 65.324 9.869 -3.912 1.00 0.00 N ATOM 643 CA LYS C 43 64.809 10.360 -5.224 1.00 0.00 C ATOM 644 C LYS C 43 63.289 10.196 -5.285 1.00 0.00 C ATOM 645 O LYS C 43 62.597 10.967 -5.919 1.00 0.00 O ATOM 646 CB LYS C 43 65.487 9.479 -6.272 1.00 0.00 C ATOM 647 CG LYS C 43 66.869 10.049 -6.600 1.00 0.00 C ATOM 648 CD LYS C 43 66.725 11.189 -7.607 1.00 0.00 C ATOM 649 CE LYS C 43 66.624 12.522 -6.860 1.00 0.00 C ATOM 650 NZ LYS C 43 67.748 13.344 -7.388 1.00 0.00 N ATOM 0 H LYS C 43 66.111 9.222 -3.968 1.00 0.00 H new ATOM 0 HA LYS C 43 65.023 11.417 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.581 8.459 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.877 9.433 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS C 43 67.350 10.411 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS C 43 67.509 9.267 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS C 43 67.581 11.202 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS C 43 65.837 11.036 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS C 43 65.663 13.004 -7.041 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.711 12.379 -5.783 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 67.746 14.274 -6.923 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 68.650 12.863 -7.196 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 67.634 13.469 -8.414 1.00 0.00 H new ATOM 664 N VAL C 44 62.764 9.200 -4.626 1.00 0.00 N ATOM 665 CA VAL C 44 61.288 8.993 -4.645 1.00 0.00 C ATOM 666 C VAL C 44 60.610 9.991 -3.701 1.00 0.00 C ATOM 667 O VAL C 44 59.544 10.501 -3.984 1.00 0.00 O ATOM 668 CB VAL C 44 61.081 7.557 -4.158 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.625 7.367 -3.727 1.00 0.00 C ATOM 670 CG2 VAL C 44 61.405 6.583 -5.293 1.00 0.00 C ATOM 0 H VAL C 44 63.292 8.522 -4.076 1.00 0.00 H new ATOM 0 HA VAL C 44 60.857 9.148 -5.634 1.00 0.00 H new ATOM 0 HB VAL C 44 61.739 7.364 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL C 44 59.479 6.344 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL C 44 59.391 8.061 -2.919 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.967 7.561 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL C 44 61.258 5.560 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.746 6.778 -6.139 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.442 6.716 -5.602 1.00 0.00 H new ATOM 680 N MET C 45 61.223 10.276 -2.585 1.00 0.00 N ATOM 681 CA MET C 45 60.618 11.243 -1.626 1.00 0.00 C ATOM 682 C MET C 45 60.203 12.522 -2.359 1.00 0.00 C ATOM 683 O MET C 45 59.165 13.094 -2.093 1.00 0.00 O ATOM 684 CB MET C 45 61.725 11.542 -0.615 1.00 0.00 C ATOM 685 CG MET C 45 61.498 10.714 0.651 1.00 0.00 C ATOM 686 SD MET C 45 61.496 8.954 0.230 1.00 0.00 S ATOM 687 CE MET C 45 59.702 8.756 0.097 1.00 0.00 C ATOM 0 H MET C 45 62.118 9.881 -2.296 1.00 0.00 H new ATOM 0 HA MET C 45 59.724 10.845 -1.146 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.698 11.308 -1.046 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.732 12.604 -0.371 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.281 10.923 1.380 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.550 10.989 1.113 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.347 8.109 0.899 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.221 9.731 0.178 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.456 8.309 -0.866 1.00 0.00 H new ATOM 697 N ARG C 46 61.011 12.975 -3.279 1.00 0.00 N ATOM 698 CA ARG C 46 60.668 14.217 -4.029 1.00 0.00 C ATOM 699 C ARG C 46 59.397 14.004 -4.856 1.00 0.00 C ATOM 700 O ARG C 46 58.686 14.938 -5.170 1.00 0.00 O ATOM 701 CB ARG C 46 61.866 14.470 -4.944 1.00 0.00 C ATOM 702 CG ARG C 46 63.158 14.413 -4.125 1.00 0.00 C ATOM 703 CD ARG C 46 63.764 15.816 -4.029 1.00 0.00 C ATOM 704 NE ARG C 46 64.944 15.786 -4.937 1.00 0.00 N ATOM 705 CZ ARG C 46 65.777 16.791 -4.959 1.00 0.00 C ATOM 706 NH1 ARG C 46 65.322 18.015 -4.959 1.00 0.00 N ATOM 707 NH2 ARG C 46 67.062 16.573 -4.981 1.00 0.00 N ATOM 0 H ARG C 46 61.894 12.538 -3.544 1.00 0.00 H new ATOM 0 HA ARG C 46 60.476 15.060 -3.365 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.894 13.724 -5.738 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.770 15.444 -5.424 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.952 14.025 -3.127 1.00 0.00 H new ATOM 0 HG3 ARG C 46 63.867 13.730 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.048 16.578 -4.337 1.00 0.00 H new ATOM 0 HD3 ARG C 46 64.058 16.050 -3.006 1.00 0.00 H new ATOM 0 HE ARG C 46 65.101 14.980 -5.542 1.00 0.00 H new ATOM 0 HH11 ARG C 46 64.316 18.185 -4.942 1.00 0.00 H new ATOM 0 HH12 ARG C 46 65.972 18.801 -4.976 1.00 0.00 H new ATOM 0 HH21 ARG C 46 67.417 15.617 -4.981 1.00 0.00 H new ATOM 0 HH22 ARG C 46 67.712 17.359 -4.998 1.00 0.00 H new ATOM 721 N MET C 47 59.107 12.785 -5.218 1.00 0.00 N ATOM 722 CA MET C 47 57.885 12.520 -6.030 1.00 0.00 C ATOM 723 C MET C 47 56.628 12.634 -5.160 1.00 0.00 C ATOM 724 O MET C 47 55.615 13.152 -5.586 1.00 0.00 O ATOM 725 CB MET C 47 58.054 11.095 -6.553 1.00 0.00 C ATOM 726 CG MET C 47 58.364 11.144 -8.051 1.00 0.00 C ATOM 727 SD MET C 47 59.944 10.321 -8.368 1.00 0.00 S ATOM 728 CE MET C 47 59.427 8.660 -7.876 1.00 0.00 C ATOM 0 H MET C 47 59.662 11.961 -4.987 1.00 0.00 H new ATOM 0 HA MET C 47 57.769 13.238 -6.842 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.860 10.592 -6.019 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.146 10.519 -6.376 1.00 0.00 H new ATOM 0 HG2 MET C 47 57.568 10.656 -8.614 1.00 0.00 H new ATOM 0 HG3 MET C 47 58.406 12.179 -8.391 1.00 0.00 H new ATOM 0 HE1 MET C 47 60.305 8.022 -7.770 1.00 0.00 H new ATOM 0 HE2 MET C 47 58.898 8.711 -6.925 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.767 8.244 -8.637 1.00 0.00 H new ATOM 738 N LEU C 48 56.683 12.157 -3.946 1.00 0.00 N ATOM 739 CA LEU C 48 55.486 12.247 -3.060 1.00 0.00 C ATOM 740 C LEU C 48 55.432 13.620 -2.383 1.00 0.00 C ATOM 741 O LEU C 48 54.607 13.867 -1.526 1.00 0.00 O ATOM 742 CB LEU C 48 55.675 11.146 -2.016 1.00 0.00 C ATOM 743 CG LEU C 48 55.925 9.811 -2.718 1.00 0.00 C ATOM 744 CD1 LEU C 48 57.279 9.251 -2.281 1.00 0.00 C ATOM 745 CD2 LEU C 48 54.818 8.824 -2.338 1.00 0.00 C ATOM 0 H LEU C 48 57.501 11.711 -3.530 1.00 0.00 H new ATOM 0 HA LEU C 48 54.556 12.126 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.515 11.389 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU C 48 54.791 11.075 -1.383 1.00 0.00 H new ATOM 0 HG LEU C 48 55.926 9.961 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.458 8.299 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU C 48 58.067 9.955 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU C 48 57.279 9.099 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU C 48 54.993 7.871 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.819 8.674 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU C 48 53.852 9.223 -2.648 1.00 0.00 H new ATOM 757 N GLY C 49 56.304 14.513 -2.761 1.00 0.00 N ATOM 758 CA GLY C 49 56.302 15.867 -2.140 1.00 0.00 C ATOM 759 C GLY C 49 56.579 15.742 -0.640 1.00 0.00 C ATOM 760 O GLY C 49 55.817 16.209 0.184 1.00 0.00 O ATOM 0 H GLY C 49 57.018 14.363 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY C 49 57.059 16.495 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY C 49 55.340 16.352 -2.304 1.00 0.00 H new ATOM 764 N GLN C 50 57.664 15.115 -0.279 1.00 0.00 N ATOM 765 CA GLN C 50 57.991 14.958 1.168 1.00 0.00 C ATOM 766 C GLN C 50 59.498 15.111 1.391 1.00 0.00 C ATOM 767 O GLN C 50 60.028 14.653 2.381 1.00 0.00 O ATOM 768 CB GLN C 50 57.541 13.542 1.523 1.00 0.00 C ATOM 769 CG GLN C 50 56.682 13.579 2.787 1.00 0.00 C ATOM 770 CD GLN C 50 56.081 12.194 3.038 1.00 0.00 C ATOM 771 OE1 GLN C 50 56.025 11.373 2.144 1.00 0.00 O ATOM 772 NE2 GLN C 50 55.628 11.898 4.225 1.00 0.00 N ATOM 0 H GLN C 50 58.340 14.704 -0.923 1.00 0.00 H new ATOM 0 HA GLN C 50 57.500 15.711 1.785 1.00 0.00 H new ATOM 0 HB2 GLN C 50 56.973 13.112 0.698 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.409 12.902 1.680 1.00 0.00 H new ATOM 0 HG2 GLN C 50 57.286 13.885 3.641 1.00 0.00 H new ATOM 0 HG3 GLN C 50 55.888 14.317 2.678 1.00 0.00 H new ATOM 0 HE21 GLN C 50 55.675 12.587 4.975 1.00 0.00 H new ATOM 0 HE22 GLN C 50 55.227 10.977 4.403 1.00 0.00 H new ATOM 781 N ASN C 51 60.177 15.745 0.466 1.00 0.00 N ATOM 782 CA ASN C 51 61.659 15.943 0.581 1.00 0.00 C ATOM 783 C ASN C 51 62.098 16.026 2.047 1.00 0.00 C ATOM 784 O ASN C 51 62.132 17.091 2.632 1.00 0.00 O ATOM 785 CB ASN C 51 61.930 17.268 -0.132 1.00 0.00 C ATOM 786 CG ASN C 51 61.403 17.191 -1.566 1.00 0.00 C ATOM 787 OD1 ASN C 51 61.851 16.376 -2.348 1.00 0.00 O ATOM 788 ND2 ASN C 51 60.461 18.011 -1.948 1.00 0.00 N ATOM 0 H ASN C 51 59.762 16.140 -0.378 1.00 0.00 H new ATOM 0 HA ASN C 51 62.212 15.111 0.145 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.446 18.086 0.401 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.999 17.479 -0.137 1.00 0.00 H new ATOM 0 HD21 ASN C 51 60.102 17.967 -2.902 1.00 0.00 H new ATOM 0 HD22 ASN C 51 60.084 18.696 -1.293 1.00 0.00 H new ATOM 795 N PRO C 52 62.415 14.881 2.586 1.00 0.00 N ATOM 796 CA PRO C 52 62.855 14.790 3.993 1.00 0.00 C ATOM 797 C PRO C 52 64.353 15.088 4.110 1.00 0.00 C ATOM 798 O PRO C 52 64.984 15.526 3.168 1.00 0.00 O ATOM 799 CB PRO C 52 62.561 13.338 4.356 1.00 0.00 C ATOM 800 CG PRO C 52 62.578 12.582 3.058 1.00 0.00 C ATOM 801 CD PRO C 52 62.387 13.573 1.931 1.00 0.00 C ATOM 0 HA PRO C 52 62.355 15.504 4.648 1.00 0.00 H new ATOM 0 HB2 PRO C 52 63.309 12.948 5.046 1.00 0.00 H new ATOM 0 HB3 PRO C 52 61.594 13.246 4.850 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.522 12.050 2.940 1.00 0.00 H new ATOM 0 HG3 PRO C 52 61.786 11.833 3.044 1.00 0.00 H new ATOM 0 HD2 PRO C 52 63.178 13.485 1.186 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.442 13.408 1.413 1.00 0.00 H new ATOM 809 N THR C 53 64.928 14.853 5.259 1.00 0.00 N ATOM 810 CA THR C 53 66.385 15.123 5.435 1.00 0.00 C ATOM 811 C THR C 53 67.197 13.858 5.139 1.00 0.00 C ATOM 812 O THR C 53 66.644 12.788 4.977 1.00 0.00 O ATOM 813 CB THR C 53 66.536 15.529 6.903 1.00 0.00 C ATOM 814 OG1 THR C 53 65.555 14.852 7.681 1.00 0.00 O ATOM 815 CG2 THR C 53 66.356 17.043 7.034 1.00 0.00 C ATOM 0 H THR C 53 64.452 14.486 6.083 1.00 0.00 H new ATOM 0 HA THR C 53 66.748 15.897 4.759 1.00 0.00 H new ATOM 0 HB THR C 53 67.529 15.257 7.261 1.00 0.00 H new ATOM 0 HG1 THR C 53 65.869 14.773 8.606 1.00 0.00 H new ATOM 0 HG21 THR C 53 66.463 17.333 8.079 1.00 0.00 H new ATOM 0 HG22 THR C 53 67.112 17.552 6.437 1.00 0.00 H new ATOM 0 HG23 THR C 53 65.364 17.323 6.680 1.00 0.00 H new ATOM 823 N PRO C 54 68.490 14.029 5.072 1.00 0.00 N ATOM 824 CA PRO C 54 69.396 12.889 4.787 1.00 0.00 C ATOM 825 C PRO C 54 69.533 11.986 6.017 1.00 0.00 C ATOM 826 O PRO C 54 69.468 10.777 5.920 1.00 0.00 O ATOM 827 CB PRO C 54 70.724 13.563 4.458 1.00 0.00 C ATOM 828 CG PRO C 54 70.672 14.889 5.151 1.00 0.00 C ATOM 829 CD PRO C 54 69.222 15.287 5.254 1.00 0.00 C ATOM 0 HA PRO C 54 69.035 12.248 3.983 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.566 12.967 4.810 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.848 13.685 3.382 1.00 0.00 H new ATOM 0 HG2 PRO C 54 71.123 14.823 6.141 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.236 15.636 4.593 1.00 0.00 H new ATOM 0 HD2 PRO C 54 69.001 15.740 6.220 1.00 0.00 H new ATOM 0 HD3 PRO C 54 68.954 16.018 4.491 1.00 0.00 H new ATOM 837 N GLU C 55 69.723 12.561 7.173 1.00 0.00 N ATOM 838 CA GLU C 55 69.866 11.729 8.401 1.00 0.00 C ATOM 839 C GLU C 55 68.580 10.936 8.652 1.00 0.00 C ATOM 840 O GLU C 55 68.613 9.802 9.087 1.00 0.00 O ATOM 841 CB GLU C 55 70.108 12.728 9.531 1.00 0.00 C ATOM 842 CG GLU C 55 71.584 12.700 9.933 1.00 0.00 C ATOM 843 CD GLU C 55 71.867 13.839 10.913 1.00 0.00 C ATOM 844 OE1 GLU C 55 70.956 14.606 11.178 1.00 0.00 O ATOM 845 OE2 GLU C 55 72.990 13.927 11.381 1.00 0.00 O ATOM 0 H GLU C 55 69.785 13.568 7.320 1.00 0.00 H new ATOM 0 HA GLU C 55 70.676 11.005 8.318 1.00 0.00 H new ATOM 0 HB2 GLU C 55 69.827 13.731 9.210 1.00 0.00 H new ATOM 0 HB3 GLU C 55 69.482 12.481 10.389 1.00 0.00 H new ATOM 0 HG2 GLU C 55 71.829 11.742 10.392 1.00 0.00 H new ATOM 0 HG3 GLU C 55 72.215 12.801 9.050 1.00 0.00 H new ATOM 852 N GLU C 56 67.447 11.524 8.381 1.00 0.00 N ATOM 853 CA GLU C 56 66.162 10.803 8.603 1.00 0.00 C ATOM 854 C GLU C 56 65.945 9.762 7.501 1.00 0.00 C ATOM 855 O GLU C 56 65.134 8.869 7.630 1.00 0.00 O ATOM 856 CB GLU C 56 65.083 11.883 8.544 1.00 0.00 C ATOM 857 CG GLU C 56 64.482 12.081 9.938 1.00 0.00 C ATOM 858 CD GLU C 56 64.453 13.573 10.277 1.00 0.00 C ATOM 859 OE1 GLU C 56 65.518 14.142 10.445 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.366 14.120 10.362 1.00 0.00 O ATOM 0 H GLU C 56 67.356 12.472 8.016 1.00 0.00 H new ATOM 0 HA GLU C 56 66.147 10.268 9.553 1.00 0.00 H new ATOM 0 HB2 GLU C 56 65.510 12.819 8.184 1.00 0.00 H new ATOM 0 HB3 GLU C 56 64.304 11.596 7.838 1.00 0.00 H new ATOM 0 HG2 GLU C 56 63.473 11.670 9.972 1.00 0.00 H new ATOM 0 HG3 GLU C 56 65.071 11.541 10.679 1.00 0.00 H new ATOM 867 N LEU C 57 66.666 9.872 6.419 1.00 0.00 N ATOM 868 CA LEU C 57 66.502 8.890 5.310 1.00 0.00 C ATOM 869 C LEU C 57 66.882 7.485 5.785 1.00 0.00 C ATOM 870 O LEU C 57 66.051 6.603 5.871 1.00 0.00 O ATOM 871 CB LEU C 57 67.463 9.362 4.219 1.00 0.00 C ATOM 872 CG LEU C 57 66.680 9.655 2.941 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.645 10.113 1.846 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.958 8.386 2.482 1.00 0.00 C ATOM 0 H LEU C 57 67.362 10.600 6.255 1.00 0.00 H new ATOM 0 HA LEU C 57 65.473 8.838 4.955 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.991 10.257 4.547 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.217 8.598 4.029 1.00 0.00 H new ATOM 0 HG LEU C 57 65.949 10.440 3.136 1.00 0.00 H new ATOM 0 HD11 LEU C 57 67.087 10.322 0.933 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.162 11.016 2.171 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.375 9.327 1.653 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.399 8.595 1.570 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.689 7.601 2.288 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.271 8.056 3.261 1.00 0.00 H new ATOM 886 N GLN C 58 68.133 7.271 6.089 1.00 0.00 N ATOM 887 CA GLN C 58 68.570 5.923 6.554 1.00 0.00 C ATOM 888 C GLN C 58 67.549 5.337 7.533 1.00 0.00 C ATOM 889 O GLN C 58 67.331 4.142 7.574 1.00 0.00 O ATOM 890 CB GLN C 58 69.911 6.159 7.251 1.00 0.00 C ATOM 891 CG GLN C 58 71.015 5.426 6.488 1.00 0.00 C ATOM 892 CD GLN C 58 70.776 3.917 6.566 1.00 0.00 C ATOM 893 OE1 GLN C 58 70.585 3.375 7.637 1.00 0.00 O ATOM 894 NE2 GLN C 58 70.777 3.211 5.468 1.00 0.00 N ATOM 0 H GLN C 58 68.872 7.972 6.036 1.00 0.00 H new ATOM 0 HA GLN C 58 68.657 5.213 5.731 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.129 7.226 7.293 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.866 5.803 8.280 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.028 5.749 5.447 1.00 0.00 H new ATOM 0 HG3 GLN C 58 71.989 5.673 6.911 1.00 0.00 H new ATOM 0 HE21 GLN C 58 70.937 3.666 4.569 1.00 0.00 H new ATOM 0 HE22 GLN C 58 70.617 2.204 5.509 1.00 0.00 H new ATOM 903 N GLU C 59 66.919 6.163 8.322 1.00 0.00 N ATOM 904 CA GLU C 59 65.914 5.640 9.291 1.00 0.00 C ATOM 905 C GLU C 59 64.932 4.708 8.577 1.00 0.00 C ATOM 906 O GLU C 59 64.564 3.669 9.088 1.00 0.00 O ATOM 907 CB GLU C 59 65.190 6.877 9.825 1.00 0.00 C ATOM 908 CG GLU C 59 66.204 7.831 10.458 1.00 0.00 C ATOM 909 CD GLU C 59 65.499 8.724 11.480 1.00 0.00 C ATOM 910 OE1 GLU C 59 64.603 9.451 11.086 1.00 0.00 O ATOM 911 OE2 GLU C 59 65.868 8.666 12.643 1.00 0.00 O ATOM 0 H GLU C 59 67.055 7.174 8.338 1.00 0.00 H new ATOM 0 HA GLU C 59 66.375 5.064 10.093 1.00 0.00 H new ATOM 0 HB2 GLU C 59 64.660 7.378 9.015 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.442 6.584 10.562 1.00 0.00 H new ATOM 0 HG2 GLU C 59 66.999 7.264 10.942 1.00 0.00 H new ATOM 0 HG3 GLU C 59 66.673 8.443 9.688 1.00 0.00 H new ATOM 918 N MET C 60 64.507 5.072 7.397 1.00 0.00 N ATOM 919 CA MET C 60 63.551 4.205 6.649 1.00 0.00 C ATOM 920 C MET C 60 64.197 2.850 6.349 1.00 0.00 C ATOM 921 O MET C 60 63.570 1.815 6.454 1.00 0.00 O ATOM 922 CB MET C 60 63.262 4.960 5.353 1.00 0.00 C ATOM 923 CG MET C 60 62.263 6.084 5.633 1.00 0.00 C ATOM 924 SD MET C 60 63.116 7.678 5.571 1.00 0.00 S ATOM 925 CE MET C 60 62.113 8.414 4.258 1.00 0.00 C ATOM 0 H MET C 60 64.780 5.931 6.919 1.00 0.00 H new ATOM 0 HA MET C 60 62.641 4.007 7.215 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.185 5.372 4.945 1.00 0.00 H new ATOM 0 HB3 MET C 60 62.859 4.278 4.604 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.458 6.061 4.898 1.00 0.00 H new ATOM 0 HG3 MET C 60 61.805 5.942 6.612 1.00 0.00 H new ATOM 0 HE1 MET C 60 62.469 9.423 4.050 1.00 0.00 H new ATOM 0 HE2 MET C 60 62.193 7.808 3.356 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.071 8.456 4.576 1.00 0.00 H new ATOM 935 N ILE C 61 65.450 2.849 5.980 1.00 0.00 N ATOM 936 CA ILE C 61 66.136 1.561 5.675 1.00 0.00 C ATOM 937 C ILE C 61 66.371 0.772 6.966 1.00 0.00 C ATOM 938 O ILE C 61 66.337 -0.443 6.977 1.00 0.00 O ATOM 939 CB ILE C 61 67.469 1.962 5.041 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.230 2.418 3.599 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.418 0.762 5.043 1.00 0.00 C ATOM 942 CD1 ILE C 61 66.951 3.921 3.579 1.00 0.00 C ATOM 0 H ILE C 61 66.027 3.684 5.877 1.00 0.00 H new ATOM 0 HA ILE C 61 65.547 0.924 5.015 1.00 0.00 H new ATOM 0 HB ILE C 61 67.912 2.777 5.613 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.102 2.191 2.985 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.388 1.875 3.170 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.368 1.048 4.591 1.00 0.00 H new ATOM 0 HG22 ILE C 61 68.588 0.435 6.069 1.00 0.00 H new ATOM 0 HG23 ILE C 61 67.975 -0.053 4.471 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.781 4.246 2.553 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.066 4.135 4.179 1.00 0.00 H new ATOM 0 HD13 ILE C 61 67.807 4.455 3.992 1.00 0.00 H new ATOM 954 N ASP C 62 66.605 1.453 8.055 1.00 0.00 N ATOM 955 CA ASP C 62 66.838 0.740 9.343 1.00 0.00 C ATOM 956 C ASP C 62 65.569 -0.003 9.768 1.00 0.00 C ATOM 957 O ASP C 62 65.616 -1.145 10.180 1.00 0.00 O ATOM 958 CB ASP C 62 67.177 1.840 10.350 1.00 0.00 C ATOM 959 CG ASP C 62 68.690 2.063 10.372 1.00 0.00 C ATOM 960 OD1 ASP C 62 69.403 1.124 10.687 1.00 0.00 O ATOM 961 OD2 ASP C 62 69.111 3.169 10.073 1.00 0.00 O ATOM 0 H ASP C 62 66.645 2.471 8.108 1.00 0.00 H new ATOM 0 HA ASP C 62 67.633 -0.002 9.268 1.00 0.00 H new ATOM 0 HB2 ASP C 62 66.666 2.764 10.080 1.00 0.00 H new ATOM 0 HB3 ASP C 62 66.826 1.560 11.343 1.00 0.00 H new ATOM 966 N GLU C 63 64.436 0.636 9.668 1.00 0.00 N ATOM 967 CA GLU C 63 63.165 -0.033 10.062 1.00 0.00 C ATOM 968 C GLU C 63 63.126 -1.456 9.499 1.00 0.00 C ATOM 969 O GLU C 63 62.470 -2.328 10.031 1.00 0.00 O ATOM 970 CB GLU C 63 62.060 0.823 9.442 1.00 0.00 C ATOM 971 CG GLU C 63 60.871 0.895 10.400 1.00 0.00 C ATOM 972 CD GLU C 63 60.994 2.142 11.277 1.00 0.00 C ATOM 973 OE1 GLU C 63 62.091 2.412 11.737 1.00 0.00 O ATOM 974 OE2 GLU C 63 59.990 2.806 11.474 1.00 0.00 O ATOM 0 H GLU C 63 64.336 1.593 9.330 1.00 0.00 H new ATOM 0 HA GLU C 63 63.055 -0.116 11.143 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.435 1.825 9.235 1.00 0.00 H new ATOM 0 HB3 GLU C 63 61.747 0.397 8.489 1.00 0.00 H new ATOM 0 HG2 GLU C 63 59.938 0.925 9.837 1.00 0.00 H new ATOM 0 HG3 GLU C 63 60.839 0.001 11.023 1.00 0.00 H new ATOM 981 N VAL C 64 63.827 -1.694 8.423 1.00 0.00 N ATOM 982 CA VAL C 64 63.834 -3.059 7.825 1.00 0.00 C ATOM 983 C VAL C 64 65.264 -3.462 7.452 1.00 0.00 C ATOM 984 O VAL C 64 65.539 -3.850 6.334 1.00 0.00 O ATOM 985 CB VAL C 64 62.962 -2.947 6.574 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.493 -2.830 6.985 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.369 -1.705 5.779 1.00 0.00 C ATOM 0 H VAL C 64 64.394 -1.002 7.933 1.00 0.00 H new ATOM 0 HA VAL C 64 63.460 -3.816 8.514 1.00 0.00 H new ATOM 0 HB VAL C 64 63.097 -3.835 5.956 1.00 0.00 H new ATOM 0 HG11 VAL C 64 60.871 -2.750 6.093 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.202 -3.714 7.552 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.358 -1.942 7.603 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.748 -1.624 4.887 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.234 -0.817 6.397 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.416 -1.787 5.486 1.00 0.00 H new ATOM 997 N ASP C 65 66.175 -3.371 8.382 1.00 0.00 N ATOM 998 CA ASP C 65 67.587 -3.746 8.085 1.00 0.00 C ATOM 999 C ASP C 65 68.048 -4.867 9.022 1.00 0.00 C ATOM 1000 O ASP C 65 68.529 -4.619 10.110 1.00 0.00 O ATOM 1001 CB ASP C 65 68.394 -2.473 8.338 1.00 0.00 C ATOM 1002 CG ASP C 65 69.695 -2.522 7.532 1.00 0.00 C ATOM 1003 OD1 ASP C 65 69.802 -3.376 6.668 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.562 -1.705 7.796 1.00 0.00 O ATOM 0 H ASP C 65 66.002 -3.053 9.336 1.00 0.00 H new ATOM 0 HA ASP C 65 67.710 -4.114 7.066 1.00 0.00 H new ATOM 0 HB2 ASP C 65 67.810 -1.598 8.053 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.616 -2.376 9.401 1.00 0.00 H new ATOM 1009 N GLU C 66 67.905 -6.096 8.610 1.00 0.00 N ATOM 1010 CA GLU C 66 68.337 -7.228 9.480 1.00 0.00 C ATOM 1011 C GLU C 66 69.746 -7.686 9.095 1.00 0.00 C ATOM 1012 O GLU C 66 70.165 -8.779 9.421 1.00 0.00 O ATOM 1013 CB GLU C 66 67.320 -8.341 9.219 1.00 0.00 C ATOM 1014 CG GLU C 66 67.090 -9.135 10.506 1.00 0.00 C ATOM 1015 CD GLU C 66 68.033 -10.339 10.540 1.00 0.00 C ATOM 1016 OE1 GLU C 66 67.952 -11.156 9.637 1.00 0.00 O ATOM 1017 OE2 GLU C 66 68.820 -10.425 11.469 1.00 0.00 O ATOM 0 H GLU C 66 67.508 -6.366 7.710 1.00 0.00 H new ATOM 0 HA GLU C 66 68.372 -6.948 10.533 1.00 0.00 H new ATOM 0 HB2 GLU C 66 66.380 -7.914 8.870 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.682 -9.002 8.431 1.00 0.00 H new ATOM 0 HG2 GLU C 66 67.264 -8.499 11.374 1.00 0.00 H new ATOM 0 HG3 GLU C 66 66.054 -9.470 10.559 1.00 0.00 H new ATOM 1024 N ASP C 67 70.481 -6.859 8.402 1.00 0.00 N ATOM 1025 CA ASP C 67 71.862 -7.249 7.997 1.00 0.00 C ATOM 1026 C ASP C 67 72.819 -6.065 8.164 1.00 0.00 C ATOM 1027 O ASP C 67 73.930 -6.079 7.671 1.00 0.00 O ATOM 1028 CB ASP C 67 71.744 -7.640 6.524 1.00 0.00 C ATOM 1029 CG ASP C 67 70.951 -6.568 5.773 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.216 -5.398 5.998 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.094 -6.936 4.987 1.00 0.00 O ATOM 0 H ASP C 67 70.185 -5.931 8.099 1.00 0.00 H new ATOM 0 HA ASP C 67 72.257 -8.062 8.606 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.736 -7.748 6.085 1.00 0.00 H new ATOM 0 HB3 ASP C 67 71.248 -8.606 6.432 1.00 0.00 H new ATOM 1036 N GLY C 68 72.399 -5.042 8.855 1.00 0.00 N ATOM 1037 CA GLY C 68 73.287 -3.861 9.051 1.00 0.00 C ATOM 1038 C GLY C 68 73.955 -3.494 7.725 1.00 0.00 C ATOM 1039 O GLY C 68 75.113 -3.125 7.682 1.00 0.00 O ATOM 0 H GLY C 68 71.480 -4.972 9.292 1.00 0.00 H new ATOM 0 HA2 GLY C 68 72.708 -3.016 9.424 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.045 -4.084 9.802 1.00 0.00 H new ATOM 1043 N SER C 69 73.236 -3.589 6.641 1.00 0.00 N ATOM 1044 CA SER C 69 73.834 -3.243 5.319 1.00 0.00 C ATOM 1045 C SER C 69 73.558 -1.774 4.985 1.00 0.00 C ATOM 1046 O SER C 69 74.014 -1.259 3.984 1.00 0.00 O ATOM 1047 CB SER C 69 73.135 -4.159 4.316 1.00 0.00 C ATOM 1048 OG SER C 69 71.803 -3.704 4.111 1.00 0.00 O ATOM 0 H SER C 69 72.262 -3.891 6.612 1.00 0.00 H new ATOM 0 HA SER C 69 74.916 -3.376 5.307 1.00 0.00 H new ATOM 0 HB2 SER C 69 73.679 -4.165 3.371 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.128 -5.184 4.686 1.00 0.00 H new ATOM 0 HG SER C 69 71.199 -4.174 4.723 1.00 0.00 H new ATOM 1054 N GLY C 70 72.815 -1.096 5.817 1.00 0.00 N ATOM 1055 CA GLY C 70 72.511 0.337 5.546 1.00 0.00 C ATOM 1056 C GLY C 70 71.729 0.452 4.237 1.00 0.00 C ATOM 1057 O GLY C 70 71.624 1.514 3.655 1.00 0.00 O ATOM 0 H GLY C 70 72.406 -1.473 6.672 1.00 0.00 H new ATOM 0 HA2 GLY C 70 71.931 0.759 6.367 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.436 0.910 5.481 1.00 0.00 H new ATOM 1061 N THR C 71 71.177 -0.634 3.769 1.00 0.00 N ATOM 1062 CA THR C 71 70.401 -0.589 2.497 1.00 0.00 C ATOM 1063 C THR C 71 69.150 -1.464 2.610 1.00 0.00 C ATOM 1064 O THR C 71 68.878 -2.046 3.641 1.00 0.00 O ATOM 1065 CB THR C 71 71.347 -1.151 1.436 1.00 0.00 C ATOM 1066 OG1 THR C 71 71.883 -2.387 1.889 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.485 -0.162 1.185 1.00 0.00 C ATOM 0 H THR C 71 71.230 -1.551 4.213 1.00 0.00 H new ATOM 0 HA THR C 71 70.066 0.419 2.255 1.00 0.00 H new ATOM 0 HB THR C 71 70.797 -1.310 0.508 1.00 0.00 H new ATOM 0 HG1 THR C 71 71.458 -2.637 2.736 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.158 -0.566 0.428 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.074 0.785 0.837 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.037 0.001 2.111 1.00 0.00 H new ATOM 1075 N VAL C 72 68.390 -1.563 1.555 1.00 0.00 N ATOM 1076 CA VAL C 72 67.161 -2.402 1.601 1.00 0.00 C ATOM 1077 C VAL C 72 67.034 -3.224 0.319 1.00 0.00 C ATOM 1078 O VAL C 72 67.364 -2.771 -0.759 1.00 0.00 O ATOM 1079 CB VAL C 72 66.009 -1.410 1.723 1.00 0.00 C ATOM 1080 CG1 VAL C 72 64.678 -2.138 1.521 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.039 -0.783 3.115 1.00 0.00 C ATOM 0 H VAL C 72 68.567 -1.099 0.664 1.00 0.00 H new ATOM 0 HA VAL C 72 67.175 -3.111 2.429 1.00 0.00 H new ATOM 0 HB VAL C 72 66.112 -0.634 0.964 1.00 0.00 H new ATOM 0 HG11 VAL C 72 63.857 -1.426 1.609 1.00 0.00 H new ATOM 0 HG12 VAL C 72 64.659 -2.594 0.531 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.569 -2.913 2.279 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.219 -0.072 3.212 1.00 0.00 H new ATOM 0 HG22 VAL C 72 65.933 -1.564 3.868 1.00 0.00 H new ATOM 0 HG23 VAL C 72 66.987 -0.265 3.260 1.00 0.00 H new ATOM 1091 N ASP C 73 66.557 -4.430 0.429 1.00 0.00 N ATOM 1092 CA ASP C 73 66.408 -5.285 -0.783 1.00 0.00 C ATOM 1093 C ASP C 73 64.951 -5.725 -0.945 1.00 0.00 C ATOM 1094 O ASP C 73 64.135 -5.539 -0.065 1.00 0.00 O ATOM 1095 CB ASP C 73 67.308 -6.494 -0.529 1.00 0.00 C ATOM 1096 CG ASP C 73 68.659 -6.020 0.011 1.00 0.00 C ATOM 1097 OD1 ASP C 73 69.520 -5.707 -0.796 1.00 0.00 O ATOM 1098 OD2 ASP C 73 68.810 -5.976 1.221 1.00 0.00 O ATOM 0 H ASP C 73 66.263 -4.863 1.305 1.00 0.00 H new ATOM 0 HA ASP C 73 66.683 -4.757 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP C 73 66.836 -7.169 0.185 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.450 -7.055 -1.452 1.00 0.00 H new ATOM 1103 N PHE C 74 64.620 -6.306 -2.065 1.00 0.00 N ATOM 1104 CA PHE C 74 63.217 -6.758 -2.284 1.00 0.00 C ATOM 1105 C PHE C 74 62.724 -7.550 -1.070 1.00 0.00 C ATOM 1106 O PHE C 74 61.537 -7.670 -0.834 1.00 0.00 O ATOM 1107 CB PHE C 74 63.282 -7.651 -3.524 1.00 0.00 C ATOM 1108 CG PHE C 74 61.885 -7.948 -4.017 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.904 -6.949 -4.000 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.573 -9.226 -4.496 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.612 -7.229 -4.460 1.00 0.00 C ATOM 1112 CE2 PHE C 74 60.281 -9.506 -4.957 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.301 -8.508 -4.938 1.00 0.00 C ATOM 0 H PHE C 74 65.260 -6.487 -2.838 1.00 0.00 H new ATOM 0 HA PHE C 74 62.526 -5.926 -2.419 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.857 -7.158 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.799 -8.581 -3.287 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.144 -5.962 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.330 -9.997 -4.510 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.855 -6.459 -4.446 1.00 0.00 H new ATOM 0 HE2 PHE C 74 60.041 -10.492 -5.327 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.304 -8.724 -5.292 1.00 0.00 H new ATOM 1123 N ASP C 75 63.625 -8.094 -0.298 1.00 0.00 N ATOM 1124 CA ASP C 75 63.206 -8.878 0.900 1.00 0.00 C ATOM 1125 C ASP C 75 62.871 -7.936 2.060 1.00 0.00 C ATOM 1126 O ASP C 75 61.802 -7.998 2.635 1.00 0.00 O ATOM 1127 CB ASP C 75 64.414 -9.747 1.249 1.00 0.00 C ATOM 1128 CG ASP C 75 64.926 -10.442 -0.015 1.00 0.00 C ATOM 1129 OD1 ASP C 75 64.158 -11.179 -0.613 1.00 0.00 O ATOM 1130 OD2 ASP C 75 66.074 -10.226 -0.363 1.00 0.00 O ATOM 0 H ASP C 75 64.632 -8.030 -0.444 1.00 0.00 H new ATOM 0 HA ASP C 75 62.315 -9.476 0.709 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.203 -9.134 1.684 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.137 -10.489 1.998 1.00 0.00 H new ATOM 1135 N GLU C 76 63.778 -7.065 2.413 1.00 0.00 N ATOM 1136 CA GLU C 76 63.511 -6.124 3.539 1.00 0.00 C ATOM 1137 C GLU C 76 62.342 -5.197 3.196 1.00 0.00 C ATOM 1138 O GLU C 76 61.476 -4.947 4.011 1.00 0.00 O ATOM 1139 CB GLU C 76 64.802 -5.319 3.698 1.00 0.00 C ATOM 1140 CG GLU C 76 65.952 -6.264 4.052 1.00 0.00 C ATOM 1141 CD GLU C 76 67.281 -5.510 3.961 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.274 -4.309 4.174 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.283 -6.147 3.679 1.00 0.00 O ATOM 0 H GLU C 76 64.692 -6.964 1.971 1.00 0.00 H new ATOM 0 HA GLU C 76 63.239 -6.648 4.455 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.027 -4.786 2.774 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.681 -4.568 4.479 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.815 -6.660 5.058 1.00 0.00 H new ATOM 0 HG3 GLU C 76 65.958 -7.116 3.373 1.00 0.00 H new ATOM 1150 N PHE C 77 62.308 -4.687 1.996 1.00 0.00 N ATOM 1151 CA PHE C 77 61.193 -3.778 1.605 1.00 0.00 C ATOM 1152 C PHE C 77 59.847 -4.407 1.973 1.00 0.00 C ATOM 1153 O PHE C 77 58.980 -3.763 2.531 1.00 0.00 O ATOM 1154 CB PHE C 77 61.318 -3.627 0.091 1.00 0.00 C ATOM 1155 CG PHE C 77 60.439 -2.492 -0.376 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.842 -1.167 -0.177 1.00 0.00 C ATOM 1157 CD2 PHE C 77 59.220 -2.767 -1.008 1.00 0.00 C ATOM 1158 CE1 PHE C 77 60.025 -0.115 -0.609 1.00 0.00 C ATOM 1159 CE2 PHE C 77 58.404 -1.715 -1.441 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.806 -0.389 -1.241 1.00 0.00 C ATOM 0 H PHE C 77 63.003 -4.860 1.270 1.00 0.00 H new ATOM 0 HA PHE C 77 61.245 -2.816 2.115 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.355 -3.433 -0.181 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.026 -4.554 -0.403 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.783 -0.956 0.310 1.00 0.00 H new ATOM 0 HD2 PHE C 77 58.910 -3.790 -1.161 1.00 0.00 H new ATOM 0 HE1 PHE C 77 60.335 0.908 -0.455 1.00 0.00 H new ATOM 0 HE2 PHE C 77 57.464 -1.926 -1.929 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.176 0.422 -1.574 1.00 0.00 H new ATOM 1170 N LEU C 78 59.666 -5.662 1.668 1.00 0.00 N ATOM 1171 CA LEU C 78 58.377 -6.334 2.001 1.00 0.00 C ATOM 1172 C LEU C 78 58.053 -6.143 3.486 1.00 0.00 C ATOM 1173 O LEU C 78 56.935 -5.843 3.853 1.00 0.00 O ATOM 1174 CB LEU C 78 58.611 -7.811 1.687 1.00 0.00 C ATOM 1175 CG LEU C 78 58.233 -8.090 0.232 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.577 -9.539 -0.116 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.731 -7.864 0.043 1.00 0.00 C ATOM 0 H LEU C 78 60.355 -6.252 1.202 1.00 0.00 H new ATOM 0 HA LEU C 78 57.537 -5.926 1.438 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.656 -8.069 1.858 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.016 -8.434 2.354 1.00 0.00 H new ATOM 0 HG LEU C 78 58.788 -7.417 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.307 -9.738 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.646 -9.701 0.019 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.023 -10.212 0.538 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.461 -8.063 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.177 -8.536 0.698 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.484 -6.832 0.291 1.00 0.00 H new ATOM 1189 N VAL C 79 59.024 -6.317 4.342 1.00 0.00 N ATOM 1190 CA VAL C 79 58.773 -6.148 5.804 1.00 0.00 C ATOM 1191 C VAL C 79 58.428 -4.691 6.121 1.00 0.00 C ATOM 1192 O VAL C 79 57.849 -4.390 7.146 1.00 0.00 O ATOM 1193 CB VAL C 79 60.086 -6.547 6.479 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.931 -6.444 7.998 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.438 -7.986 6.101 1.00 0.00 C ATOM 0 H VAL C 79 59.980 -6.569 4.093 1.00 0.00 H new ATOM 0 HA VAL C 79 57.935 -6.753 6.150 1.00 0.00 H new ATOM 0 HB VAL C 79 60.881 -5.879 6.148 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.867 -6.728 8.479 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.680 -5.419 8.269 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.135 -7.112 8.329 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.374 -8.270 6.582 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.643 -8.654 6.432 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.549 -8.061 5.019 1.00 0.00 H new ATOM 1205 N MET C 80 58.779 -3.784 5.252 1.00 0.00 N ATOM 1206 CA MET C 80 58.471 -2.347 5.509 1.00 0.00 C ATOM 1207 C MET C 80 56.971 -2.086 5.345 1.00 0.00 C ATOM 1208 O MET C 80 56.362 -1.402 6.142 1.00 0.00 O ATOM 1209 CB MET C 80 59.267 -1.579 4.454 1.00 0.00 C ATOM 1210 CG MET C 80 59.435 -0.126 4.901 1.00 0.00 C ATOM 1211 SD MET C 80 59.022 0.978 3.528 1.00 0.00 S ATOM 1212 CE MET C 80 60.652 0.981 2.745 1.00 0.00 C ATOM 0 H MET C 80 59.265 -3.974 4.376 1.00 0.00 H new ATOM 0 HA MET C 80 58.735 -2.044 6.522 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.243 -2.042 4.311 1.00 0.00 H new ATOM 0 HB3 MET C 80 58.752 -1.618 3.494 1.00 0.00 H new ATOM 0 HG2 MET C 80 58.789 0.080 5.755 1.00 0.00 H new ATOM 0 HG3 MET C 80 60.460 0.049 5.227 1.00 0.00 H new ATOM 0 HE1 MET C 80 60.610 1.555 1.819 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.379 1.433 3.420 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.951 -0.043 2.523 1.00 0.00 H new ATOM 1222 N MET C 81 56.374 -2.622 4.315 1.00 0.00 N ATOM 1223 CA MET C 81 54.914 -2.400 4.104 1.00 0.00 C ATOM 1224 C MET C 81 54.110 -3.038 5.241 1.00 0.00 C ATOM 1225 O MET C 81 53.082 -2.533 5.645 1.00 0.00 O ATOM 1226 CB MET C 81 54.598 -3.081 2.773 1.00 0.00 C ATOM 1227 CG MET C 81 55.062 -2.188 1.622 1.00 0.00 C ATOM 1228 SD MET C 81 54.175 -0.612 1.687 1.00 0.00 S ATOM 1229 CE MET C 81 55.457 0.402 0.911 1.00 0.00 C ATOM 0 H MET C 81 56.832 -3.202 3.612 1.00 0.00 H new ATOM 0 HA MET C 81 54.655 -1.341 4.091 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.096 -4.049 2.720 1.00 0.00 H new ATOM 0 HB3 MET C 81 53.527 -3.269 2.693 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.136 -2.016 1.691 1.00 0.00 H new ATOM 0 HG3 MET C 81 54.879 -2.682 0.668 1.00 0.00 H new ATOM 0 HE1 MET C 81 55.115 1.435 0.848 1.00 0.00 H new ATOM 0 HE2 MET C 81 56.368 0.357 1.508 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.662 0.026 -0.091 1.00 0.00 H new ATOM 1239 N VAL C 82 54.572 -4.141 5.762 1.00 0.00 N ATOM 1240 CA VAL C 82 53.833 -4.806 6.874 1.00 0.00 C ATOM 1241 C VAL C 82 53.689 -3.847 8.057 1.00 0.00 C ATOM 1242 O VAL C 82 52.616 -3.672 8.601 1.00 0.00 O ATOM 1243 CB VAL C 82 54.694 -6.008 7.260 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.941 -6.872 8.272 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.999 -6.838 6.011 1.00 0.00 C ATOM 0 H VAL C 82 55.428 -4.611 5.467 1.00 0.00 H new ATOM 0 HA VAL C 82 52.826 -5.105 6.581 1.00 0.00 H new ATOM 0 HB VAL C 82 55.627 -5.659 7.703 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.555 -7.729 8.547 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.722 -6.282 9.162 1.00 0.00 H new ATOM 0 HG13 VAL C 82 53.008 -7.221 7.829 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.613 -7.696 6.285 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.066 -7.187 5.569 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.536 -6.224 5.288 1.00 0.00 H new ATOM 1255 N ARG C 83 54.762 -3.223 8.461 1.00 0.00 N ATOM 1256 CA ARG C 83 54.688 -2.276 9.609 1.00 0.00 C ATOM 1257 C ARG C 83 54.033 -0.962 9.169 1.00 0.00 C ATOM 1258 O ARG C 83 53.752 -0.098 9.975 1.00 0.00 O ATOM 1259 CB ARG C 83 56.141 -2.041 10.023 1.00 0.00 C ATOM 1260 CG ARG C 83 56.760 -3.362 10.484 1.00 0.00 C ATOM 1261 CD ARG C 83 58.245 -3.150 10.788 1.00 0.00 C ATOM 1262 NE ARG C 83 58.424 -3.641 12.183 1.00 0.00 N ATOM 1263 CZ ARG C 83 58.762 -2.807 13.129 1.00 0.00 C ATOM 1264 NH1 ARG C 83 57.933 -1.869 13.499 1.00 0.00 N ATOM 1265 NH2 ARG C 83 59.928 -2.912 13.705 1.00 0.00 N ATOM 0 H ARG C 83 55.687 -3.328 8.045 1.00 0.00 H new ATOM 0 HA ARG C 83 54.090 -2.668 10.431 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.708 -1.634 9.185 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.187 -1.306 10.826 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.244 -3.727 11.372 1.00 0.00 H new ATOM 0 HG3 ARG C 83 56.641 -4.121 9.711 1.00 0.00 H new ATOM 0 HD2 ARG C 83 58.874 -3.703 10.091 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.520 -2.099 10.701 1.00 0.00 H new ATOM 0 HE ARG C 83 58.283 -4.628 12.399 1.00 0.00 H new ATOM 0 HH11 ARG C 83 57.021 -1.788 13.049 1.00 0.00 H new ATOM 0 HH12 ARG C 83 58.197 -1.217 14.238 1.00 0.00 H new ATOM 0 HH21 ARG C 83 60.575 -3.646 13.416 1.00 0.00 H new ATOM 0 HH22 ARG C 83 60.192 -2.261 14.444 1.00 0.00 H new ATOM 1279 N CYS C 84 53.785 -0.809 7.897 1.00 0.00 N ATOM 1280 CA CYS C 84 53.145 0.447 7.407 1.00 0.00 C ATOM 1281 C CYS C 84 51.678 0.186 7.053 1.00 0.00 C ATOM 1282 O CYS C 84 50.987 1.050 6.551 1.00 0.00 O ATOM 1283 CB CYS C 84 53.938 0.834 6.158 1.00 0.00 C ATOM 1284 SG CYS C 84 55.359 1.849 6.636 1.00 0.00 S ATOM 0 H CYS C 84 53.997 -1.498 7.176 1.00 0.00 H new ATOM 0 HA CYS C 84 53.156 1.238 8.157 1.00 0.00 H new ATOM 0 HB2 CYS C 84 54.276 -0.062 5.637 1.00 0.00 H new ATOM 0 HB3 CYS C 84 53.301 1.384 5.466 1.00 0.00 H new ATOM 0 HG CYS C 84 56.035 2.176 5.575 1.00 0.00 H new ATOM 1290 N MET C 85 51.199 -1.001 7.312 1.00 0.00 N ATOM 1291 CA MET C 85 49.777 -1.319 6.992 1.00 0.00 C ATOM 1292 C MET C 85 49.112 -2.008 8.186 1.00 0.00 C ATOM 1293 O MET C 85 48.589 -3.100 8.074 1.00 0.00 O ATOM 1294 CB MET C 85 49.844 -2.267 5.794 1.00 0.00 C ATOM 1295 CG MET C 85 50.571 -3.551 6.200 1.00 0.00 C ATOM 1296 SD MET C 85 51.063 -4.462 4.714 1.00 0.00 S ATOM 1297 CE MET C 85 49.410 -5.008 4.223 1.00 0.00 C ATOM 0 H MET C 85 51.730 -1.764 7.731 1.00 0.00 H new ATOM 0 HA MET C 85 49.191 -0.427 6.772 1.00 0.00 H new ATOM 0 HB2 MET C 85 48.838 -2.501 5.445 1.00 0.00 H new ATOM 0 HB3 MET C 85 50.366 -1.787 4.966 1.00 0.00 H new ATOM 0 HG2 MET C 85 51.449 -3.310 6.799 1.00 0.00 H new ATOM 0 HG3 MET C 85 49.921 -4.169 6.820 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.494 -5.791 3.470 1.00 0.00 H new ATOM 0 HE2 MET C 85 48.882 -5.397 5.094 1.00 0.00 H new ATOM 0 HE3 MET C 85 48.856 -4.165 3.809 1.00 0.00 H new ATOM 1411 N SER I 3 54.207 7.302 3.311 1.00 0.00 N ATOM 1412 CA SER I 3 52.850 6.687 3.400 1.00 0.00 C ATOM 1413 C SER I 3 52.808 5.382 2.601 1.00 0.00 C ATOM 1414 O SER I 3 53.773 4.645 2.546 1.00 0.00 O ATOM 1415 CB SER I 3 51.907 7.721 2.787 1.00 0.00 C ATOM 1416 OG SER I 3 50.707 7.772 3.548 1.00 0.00 O ATOM 0 HA SER I 3 52.574 6.440 4.425 1.00 0.00 H new ATOM 0 HB2 SER I 3 52.384 8.701 2.772 1.00 0.00 H new ATOM 0 HB3 SER I 3 51.684 7.459 1.753 1.00 0.00 H new ATOM 0 HG SER I 3 50.100 8.436 3.158 1.00 0.00 H new ATOM 1422 N ALA I 4 51.697 5.090 1.982 1.00 0.00 N ATOM 1423 CA ALA I 4 51.594 3.831 1.188 1.00 0.00 C ATOM 1424 C ALA I 4 50.845 4.095 -0.122 1.00 0.00 C ATOM 1425 O ALA I 4 51.276 3.698 -1.186 1.00 0.00 O ATOM 1426 CB ALA I 4 50.803 2.868 2.073 1.00 0.00 C ATOM 0 H ALA I 4 50.856 5.668 1.991 1.00 0.00 H new ATOM 0 HA ALA I 4 52.571 3.428 0.921 1.00 0.00 H new ATOM 0 HB1 ALA I 4 50.684 1.915 1.558 1.00 0.00 H new ATOM 0 HB2 ALA I 4 51.339 2.710 3.009 1.00 0.00 H new ATOM 0 HB3 ALA I 4 49.821 3.291 2.284 1.00 0.00 H new ATOM 1432 N ASP I 5 49.725 4.761 -0.051 1.00 0.00 N ATOM 1433 CA ASP I 5 48.949 5.049 -1.291 1.00 0.00 C ATOM 1434 C ASP I 5 49.641 6.148 -2.102 1.00 0.00 C ATOM 1435 O ASP I 5 49.750 6.066 -3.309 1.00 0.00 O ATOM 1436 CB ASP I 5 47.580 5.523 -0.802 1.00 0.00 C ATOM 1437 CG ASP I 5 47.701 6.936 -0.229 1.00 0.00 C ATOM 1438 OD1 ASP I 5 47.652 7.875 -1.006 1.00 0.00 O ATOM 1439 OD2 ASP I 5 47.841 7.056 0.977 1.00 0.00 O ATOM 0 H ASP I 5 49.314 5.118 0.811 1.00 0.00 H new ATOM 0 HA ASP I 5 48.868 4.177 -1.940 1.00 0.00 H new ATOM 0 HB2 ASP I 5 46.865 5.513 -1.625 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.199 4.842 -0.041 1.00 0.00 H new ATOM 1444 N ALA I 6 50.108 7.175 -1.448 1.00 0.00 N ATOM 1445 CA ALA I 6 50.792 8.279 -2.182 1.00 0.00 C ATOM 1446 C ALA I 6 51.830 7.705 -3.150 1.00 0.00 C ATOM 1447 O ALA I 6 51.913 8.104 -4.294 1.00 0.00 O ATOM 1448 CB ALA I 6 51.473 9.114 -1.098 1.00 0.00 C ATOM 0 H ALA I 6 50.046 7.299 -0.437 1.00 0.00 H new ATOM 0 HA ALA I 6 50.097 8.873 -2.776 1.00 0.00 H new ATOM 0 HB1 ALA I 6 52.000 9.949 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.721 9.496 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA I 6 52.184 8.493 -0.553 1.00 0.00 H new ATOM 1454 N MET I 7 52.623 6.771 -2.700 1.00 0.00 N ATOM 1455 CA MET I 7 53.655 6.176 -3.598 1.00 0.00 C ATOM 1456 C MET I 7 53.047 5.880 -4.972 1.00 0.00 C ATOM 1457 O MET I 7 53.715 5.949 -5.984 1.00 0.00 O ATOM 1458 CB MET I 7 54.085 4.882 -2.907 1.00 0.00 C ATOM 1459 CG MET I 7 55.357 5.136 -2.097 1.00 0.00 C ATOM 1460 SD MET I 7 56.731 5.482 -3.225 1.00 0.00 S ATOM 1461 CE MET I 7 57.199 3.765 -3.550 1.00 0.00 C ATOM 0 H MET I 7 52.602 6.395 -1.752 1.00 0.00 H new ATOM 0 HA MET I 7 54.499 6.846 -3.762 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.290 4.525 -2.253 1.00 0.00 H new ATOM 0 HB3 MET I 7 54.262 4.103 -3.648 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.208 5.977 -1.420 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.588 4.267 -1.481 1.00 0.00 H new ATOM 0 HE1 MET I 7 57.763 3.712 -4.481 1.00 0.00 H new ATOM 0 HE2 MET I 7 57.815 3.395 -2.731 1.00 0.00 H new ATOM 0 HE3 MET I 7 56.301 3.153 -3.634 1.00 0.00 H new ATOM 1471 N MET I 8 51.784 5.555 -5.015 1.00 0.00 N ATOM 1472 CA MET I 8 51.135 5.259 -6.324 1.00 0.00 C ATOM 1473 C MET I 8 50.690 6.561 -6.992 1.00 0.00 C ATOM 1474 O MET I 8 50.818 6.734 -8.188 1.00 0.00 O ATOM 1475 CB MET I 8 49.926 4.389 -5.981 1.00 0.00 C ATOM 1476 CG MET I 8 50.349 2.919 -5.952 1.00 0.00 C ATOM 1477 SD MET I 8 50.401 2.338 -4.238 1.00 0.00 S ATOM 1478 CE MET I 8 52.059 2.946 -3.842 1.00 0.00 C ATOM 0 H MET I 8 51.174 5.482 -4.201 1.00 0.00 H new ATOM 0 HA MET I 8 51.809 4.758 -7.018 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.517 4.680 -5.013 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.137 4.537 -6.718 1.00 0.00 H new ATOM 0 HG2 MET I 8 49.648 2.317 -6.530 1.00 0.00 H new ATOM 0 HG3 MET I 8 51.328 2.802 -6.416 1.00 0.00 H new ATOM 0 HE1 MET I 8 52.569 2.223 -3.206 1.00 0.00 H new ATOM 0 HE2 MET I 8 52.626 3.083 -4.763 1.00 0.00 H new ATOM 0 HE3 MET I 8 51.982 3.899 -3.318 1.00 0.00 H new ATOM 1488 N GLN I 9 50.169 7.482 -6.227 1.00 0.00 N ATOM 1489 CA GLN I 9 49.721 8.774 -6.818 1.00 0.00 C ATOM 1490 C GLN I 9 50.933 9.656 -7.123 1.00 0.00 C ATOM 1491 O GLN I 9 50.979 10.344 -8.124 1.00 0.00 O ATOM 1492 CB GLN I 9 48.847 9.421 -5.743 1.00 0.00 C ATOM 1493 CG GLN I 9 47.459 9.709 -6.319 1.00 0.00 C ATOM 1494 CD GLN I 9 47.187 11.213 -6.267 1.00 0.00 C ATOM 1495 OE1 GLN I 9 48.026 11.980 -5.840 1.00 0.00 O ATOM 1496 NE2 GLN I 9 46.040 11.671 -6.689 1.00 0.00 N ATOM 0 H GLN I 9 50.035 7.395 -5.220 1.00 0.00 H new ATOM 0 HA GLN I 9 49.179 8.636 -7.754 1.00 0.00 H new ATOM 0 HB2 GLN I 9 48.764 8.760 -4.880 1.00 0.00 H new ATOM 0 HB3 GLN I 9 49.306 10.346 -5.394 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.400 9.353 -7.348 1.00 0.00 H new ATOM 0 HG3 GLN I 9 46.699 9.171 -5.751 1.00 0.00 H new ATOM 0 HE21 GLN I 9 45.335 11.027 -7.048 1.00 0.00 H new ATOM 0 HE22 GLN I 9 45.849 12.673 -6.660 1.00 0.00 H new ATOM 1505 N ALA I 10 51.918 9.639 -6.267 1.00 0.00 N ATOM 1506 CA ALA I 10 53.130 10.473 -6.504 1.00 0.00 C ATOM 1507 C ALA I 10 53.987 9.851 -7.610 1.00 0.00 C ATOM 1508 O ALA I 10 54.317 10.492 -8.588 1.00 0.00 O ATOM 1509 CB ALA I 10 53.884 10.463 -5.174 1.00 0.00 C ATOM 0 H ALA I 10 51.936 9.083 -5.412 1.00 0.00 H new ATOM 0 HA ALA I 10 52.881 11.485 -6.823 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.793 11.058 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA I 10 53.251 10.886 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA I 10 54.146 9.438 -4.912 1.00 0.00 H new ATOM 1515 N LEU I 11 54.350 8.607 -7.460 1.00 0.00 N ATOM 1516 CA LEU I 11 55.187 7.945 -8.502 1.00 0.00 C ATOM 1517 C LEU I 11 54.679 6.524 -8.763 1.00 0.00 C ATOM 1518 O LEU I 11 53.556 6.187 -8.443 1.00 0.00 O ATOM 1519 CB LEU I 11 56.596 7.911 -7.911 1.00 0.00 C ATOM 1520 CG LEU I 11 56.547 7.302 -6.509 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.710 6.322 -6.337 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.662 8.414 -5.465 1.00 0.00 C ATOM 0 H LEU I 11 54.104 8.020 -6.663 1.00 0.00 H new ATOM 0 HA LEU I 11 55.157 8.473 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU I 11 57.256 7.325 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU I 11 57.008 8.919 -7.867 1.00 0.00 H new ATOM 0 HG LEU I 11 55.603 6.774 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU I 11 57.675 5.888 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.630 5.529 -7.080 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.654 6.851 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU I 11 56.627 7.980 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.606 8.942 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU I 11 55.835 9.113 -5.586 1.00 0.00 H new ATOM 1534 N LEU I 12 55.496 5.689 -9.344 1.00 0.00 N ATOM 1535 CA LEU I 12 55.059 4.290 -9.627 1.00 0.00 C ATOM 1536 C LEU I 12 53.882 4.292 -10.605 1.00 0.00 C ATOM 1537 O LEU I 12 53.716 5.202 -11.392 1.00 0.00 O ATOM 1538 CB LEU I 12 54.627 3.724 -8.272 1.00 0.00 C ATOM 1539 CG LEU I 12 55.660 4.090 -7.204 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.100 3.766 -5.818 1.00 0.00 C ATOM 1541 CD2 LEU I 12 56.939 3.284 -7.438 1.00 0.00 C ATOM 0 H LEU I 12 56.447 5.914 -9.635 1.00 0.00 H new ATOM 0 HA LEU I 12 55.851 3.696 -10.082 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.650 4.121 -7.997 1.00 0.00 H new ATOM 0 HB3 LEU I 12 54.525 2.641 -8.336 1.00 0.00 H new ATOM 0 HG LEU I 12 55.883 5.155 -7.264 1.00 0.00 H new ATOM 0 HD11 LEU I 12 55.836 4.027 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU I 12 54.188 4.339 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU I 12 54.876 2.701 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU I 12 57.676 3.543 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU I 12 56.714 2.219 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU I 12 57.339 3.515 -8.425 1.00 0.00 H new