USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=19 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 -84:sc= 1.41 USER MOD Set 1.2: C 71 THR OG1 : rot -28:sc= -0.0563 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= -0.0279 X(o=-0.028,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : C 16 GLN : amide:sc= -0.991 K(o=-0.99,f=-3.5!) USER MOD Single : C 17 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0122) USER MOD Single : C 18 ASN : amide:sc= -0.131! K(o=-0.13!,f=-1.3) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= 0.0402 USER MOD Single : C 37 SER OG : rot 180:sc= -0.0725 USER MOD Single : C 38 THR OG1 : rot -77:sc= -0.0827 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -164:sc= -0.0484 (180deg=-0.295) USER MOD Single : C 45 MET CE :methyl -156:sc= -7.59! (180deg=-8.76!) USER MOD Single : C 47 MET CE :methyl -178:sc= -7.76! (180deg=-7.87!) USER MOD Single : C 50 GLN : amide:sc= 0.426 K(o=0.43,f=-3!) USER MOD Single : C 51 ASN : amide:sc= -0.823 K(o=-0.82,f=-5.8!) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.819 USER MOD Single : C 58 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.32) USER MOD Single : C 60 MET CE :methyl -146:sc= -0.529 (180deg=-0.818) USER MOD Single : C 80 MET CE :methyl 154:sc= -0.148 (180deg=-1.28) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -53:sc= -0.168 USER MOD Single : C 85 MET CE :methyl -149:sc= -0.251 (180deg=-1.66!) USER MOD Single : I 3 SER OG : rot -32:sc= 0.58 USER MOD Single : I 7 MET CE :methyl 145:sc= -14.2! (180deg=-18.3!) USER MOD Single : I 8 MET CE :methyl 148:sc= -6.14! (180deg=-8.47!) USER MOD Single : I 9 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 55.681 -11.873 13.945 1.00 0.00 N ATOM 45 CA ILE C 4 54.555 -10.946 13.616 1.00 0.00 C ATOM 46 C ILE C 4 54.647 -10.480 12.160 1.00 0.00 C ATOM 47 O ILE C 4 53.722 -10.635 11.389 1.00 0.00 O ATOM 48 CB ILE C 4 54.709 -9.760 14.571 1.00 0.00 C ATOM 49 CG1 ILE C 4 54.953 -10.277 15.991 1.00 0.00 C ATOM 50 CG2 ILE C 4 53.431 -8.919 14.551 1.00 0.00 C ATOM 51 CD1 ILE C 4 55.013 -9.095 16.960 1.00 0.00 C ATOM 0 HA ILE C 4 53.586 -11.433 13.729 1.00 0.00 H new ATOM 0 HB ILE C 4 55.554 -9.148 14.255 1.00 0.00 H new ATOM 0 HG12 ILE C 4 54.156 -10.960 16.283 1.00 0.00 H new ATOM 0 HG13 ILE C 4 55.885 -10.840 16.029 1.00 0.00 H new ATOM 0 HG21 ILE C 4 53.541 -8.074 15.231 1.00 0.00 H new ATOM 0 HG22 ILE C 4 53.254 -8.551 13.541 1.00 0.00 H new ATOM 0 HG23 ILE C 4 52.587 -9.532 14.867 1.00 0.00 H new ATOM 0 HD11 ILE C 4 55.187 -9.462 17.971 1.00 0.00 H new ATOM 0 HD12 ILE C 4 55.826 -8.429 16.671 1.00 0.00 H new ATOM 0 HD13 ILE C 4 54.069 -8.551 16.929 1.00 0.00 H new ATOM 63 N TYR C 5 55.753 -9.904 11.780 1.00 0.00 N ATOM 64 CA TYR C 5 55.900 -9.424 10.375 1.00 0.00 C ATOM 65 C TYR C 5 56.145 -10.603 9.431 1.00 0.00 C ATOM 66 O TYR C 5 55.489 -10.744 8.417 1.00 0.00 O ATOM 67 CB TYR C 5 57.112 -8.494 10.402 1.00 0.00 C ATOM 68 CG TYR C 5 56.821 -7.322 11.310 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.706 -6.512 11.068 1.00 0.00 C ATOM 70 CD2 TYR C 5 57.664 -7.048 12.393 1.00 0.00 C ATOM 71 CE1 TYR C 5 55.434 -5.426 11.909 1.00 0.00 C ATOM 72 CE2 TYR C 5 57.392 -5.962 13.234 1.00 0.00 C ATOM 73 CZ TYR C 5 56.277 -5.152 12.993 1.00 0.00 C ATOM 74 OH TYR C 5 56.008 -4.082 13.822 1.00 0.00 O ATOM 0 H TYR C 5 56.562 -9.744 12.380 1.00 0.00 H new ATOM 0 HA TYR C 5 55.004 -8.917 10.016 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.991 -9.033 10.755 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.337 -8.142 9.395 1.00 0.00 H new ATOM 0 HD1 TYR C 5 55.055 -6.724 10.233 1.00 0.00 H new ATOM 0 HD2 TYR C 5 58.524 -7.674 12.580 1.00 0.00 H new ATOM 0 HE1 TYR C 5 54.574 -4.800 11.722 1.00 0.00 H new ATOM 0 HE2 TYR C 5 58.043 -5.750 14.069 1.00 0.00 H new ATOM 0 HH TYR C 5 56.689 -4.033 14.525 1.00 0.00 H new ATOM 84 N LYS C 6 57.085 -11.450 9.751 1.00 0.00 N ATOM 85 CA LYS C 6 57.370 -12.618 8.867 1.00 0.00 C ATOM 86 C LYS C 6 56.060 -13.250 8.389 1.00 0.00 C ATOM 87 O LYS C 6 56.002 -13.862 7.341 1.00 0.00 O ATOM 88 CB LYS C 6 58.147 -13.599 9.745 1.00 0.00 C ATOM 89 CG LYS C 6 59.452 -13.983 9.047 1.00 0.00 C ATOM 90 CD LYS C 6 59.187 -15.117 8.053 1.00 0.00 C ATOM 91 CE LYS C 6 59.156 -14.553 6.630 1.00 0.00 C ATOM 92 NZ LYS C 6 60.319 -15.180 5.942 1.00 0.00 N ATOM 0 H LYS C 6 57.668 -11.385 10.585 1.00 0.00 H new ATOM 0 HA LYS C 6 57.931 -12.335 7.976 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.359 -13.147 10.714 1.00 0.00 H new ATOM 0 HB3 LYS C 6 57.547 -14.489 9.933 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.866 -13.119 8.527 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.192 -14.297 9.784 1.00 0.00 H new ATOM 0 HD2 LYS C 6 59.963 -15.877 8.137 1.00 0.00 H new ATOM 0 HD3 LYS C 6 58.239 -15.603 8.284 1.00 0.00 H new ATOM 0 HE2 LYS C 6 58.220 -14.800 6.128 1.00 0.00 H new ATOM 0 HE3 LYS C 6 59.239 -13.466 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 60.365 -14.842 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 61.196 -14.922 6.438 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 60.209 -16.214 5.947 1.00 0.00 H new ATOM 106 N ALA C 7 55.008 -13.106 9.148 1.00 0.00 N ATOM 107 CA ALA C 7 53.704 -13.700 8.736 1.00 0.00 C ATOM 108 C ALA C 7 53.008 -12.797 7.714 1.00 0.00 C ATOM 109 O ALA C 7 52.476 -13.258 6.724 1.00 0.00 O ATOM 110 CB ALA C 7 52.885 -13.786 10.024 1.00 0.00 C ATOM 0 H ALA C 7 54.995 -12.603 10.035 1.00 0.00 H new ATOM 0 HA ALA C 7 53.825 -14.675 8.264 1.00 0.00 H new ATOM 0 HB1 ALA C 7 51.907 -14.215 9.805 1.00 0.00 H new ATOM 0 HB2 ALA C 7 53.405 -14.417 10.744 1.00 0.00 H new ATOM 0 HB3 ALA C 7 52.758 -12.787 10.442 1.00 0.00 H new ATOM 116 N ALA C 8 53.003 -11.513 7.949 1.00 0.00 N ATOM 117 CA ALA C 8 52.337 -10.583 6.992 1.00 0.00 C ATOM 118 C ALA C 8 53.023 -10.642 5.624 1.00 0.00 C ATOM 119 O ALA C 8 52.399 -10.448 4.599 1.00 0.00 O ATOM 120 CB ALA C 8 52.499 -9.194 7.612 1.00 0.00 C ATOM 0 H ALA C 8 53.431 -11.068 8.761 1.00 0.00 H new ATOM 0 HA ALA C 8 51.290 -10.840 6.831 1.00 0.00 H new ATOM 0 HB1 ALA C 8 52.033 -8.450 6.965 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.020 -9.174 8.591 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.559 -8.966 7.722 1.00 0.00 H new ATOM 126 N VAL C 9 54.300 -10.905 5.599 1.00 0.00 N ATOM 127 CA VAL C 9 55.021 -10.972 4.295 1.00 0.00 C ATOM 128 C VAL C 9 54.656 -12.259 3.548 1.00 0.00 C ATOM 129 O VAL C 9 54.235 -12.228 2.409 1.00 0.00 O ATOM 130 CB VAL C 9 56.504 -10.966 4.662 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.341 -10.732 3.402 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.776 -9.846 5.668 1.00 0.00 C ATOM 0 H VAL C 9 54.876 -11.076 6.423 1.00 0.00 H new ATOM 0 HA VAL C 9 54.760 -10.143 3.638 1.00 0.00 H new ATOM 0 HB VAL C 9 56.772 -11.926 5.104 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.399 -10.728 3.664 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.148 -11.529 2.684 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.073 -9.772 2.960 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.834 -9.841 5.930 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.508 -8.887 5.226 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.180 -10.011 6.566 1.00 0.00 H new ATOM 142 N GLU C 10 54.817 -13.389 4.180 1.00 0.00 N ATOM 143 CA GLU C 10 54.480 -14.675 3.502 1.00 0.00 C ATOM 144 C GLU C 10 53.002 -14.694 3.103 1.00 0.00 C ATOM 145 O GLU C 10 52.581 -15.485 2.283 1.00 0.00 O ATOM 146 CB GLU C 10 54.771 -15.759 4.541 1.00 0.00 C ATOM 147 CG GLU C 10 55.906 -16.654 4.041 1.00 0.00 C ATOM 148 CD GLU C 10 55.361 -17.638 3.003 1.00 0.00 C ATOM 149 OE1 GLU C 10 55.110 -17.211 1.888 1.00 0.00 O ATOM 150 OE2 GLU C 10 55.204 -18.799 3.341 1.00 0.00 O ATOM 0 H GLU C 10 55.166 -13.479 5.134 1.00 0.00 H new ATOM 0 HA GLU C 10 55.055 -14.822 2.588 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.046 -15.302 5.492 1.00 0.00 H new ATOM 0 HB3 GLU C 10 53.876 -16.355 4.721 1.00 0.00 H new ATOM 0 HG2 GLU C 10 56.696 -16.046 3.601 1.00 0.00 H new ATOM 0 HG3 GLU C 10 56.349 -17.198 4.875 1.00 0.00 H new ATOM 157 N GLN C 11 52.212 -13.828 3.677 1.00 0.00 N ATOM 158 CA GLN C 11 50.763 -13.796 3.331 1.00 0.00 C ATOM 159 C GLN C 11 50.550 -13.061 2.005 1.00 0.00 C ATOM 160 O GLN C 11 49.503 -13.152 1.396 1.00 0.00 O ATOM 161 CB GLN C 11 50.104 -13.029 4.479 1.00 0.00 C ATOM 162 CG GLN C 11 48.697 -13.578 4.716 1.00 0.00 C ATOM 163 CD GLN C 11 48.474 -13.785 6.216 1.00 0.00 C ATOM 164 OE1 GLN C 11 47.639 -13.135 6.814 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.190 -14.671 6.854 1.00 0.00 N ATOM 0 H GLN C 11 52.508 -13.141 4.371 1.00 0.00 H new ATOM 0 HA GLN C 11 50.344 -14.795 3.210 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.701 -13.126 5.386 1.00 0.00 H new ATOM 0 HB3 GLN C 11 50.056 -11.966 4.241 1.00 0.00 H new ATOM 0 HG2 GLN C 11 47.954 -12.886 4.319 1.00 0.00 H new ATOM 0 HG3 GLN C 11 48.569 -14.521 4.185 1.00 0.00 H new ATOM 0 HE21 GLN C 11 49.891 -15.217 6.353 1.00 0.00 H new ATOM 0 HE22 GLN C 11 49.048 -14.817 7.853 1.00 0.00 H new ATOM 174 N LEU C 12 51.535 -12.333 1.554 1.00 0.00 N ATOM 175 CA LEU C 12 51.385 -11.592 0.269 1.00 0.00 C ATOM 176 C LEU C 12 51.073 -12.564 -0.872 1.00 0.00 C ATOM 177 O LEU C 12 51.639 -13.636 -0.960 1.00 0.00 O ATOM 178 CB LEU C 12 52.739 -10.917 0.042 1.00 0.00 C ATOM 179 CG LEU C 12 52.986 -9.884 1.143 1.00 0.00 C ATOM 180 CD1 LEU C 12 54.318 -9.175 0.890 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.853 -8.857 1.141 1.00 0.00 C ATOM 0 H LEU C 12 52.436 -12.219 2.019 1.00 0.00 H new ATOM 0 HA LEU C 12 50.568 -10.871 0.302 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.534 -11.663 0.044 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.757 -10.434 -0.935 1.00 0.00 H new ATOM 0 HG LEU C 12 53.021 -10.386 2.110 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.493 -8.439 1.675 1.00 0.00 H new ATOM 0 HD12 LEU C 12 55.126 -9.907 0.892 1.00 0.00 H new ATOM 0 HD13 LEU C 12 54.285 -8.673 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.028 -8.121 1.925 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.818 -8.356 0.174 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.904 -9.362 1.323 1.00 0.00 H new ATOM 193 N THR C 13 50.179 -12.195 -1.748 1.00 0.00 N ATOM 194 CA THR C 13 49.833 -13.096 -2.884 1.00 0.00 C ATOM 195 C THR C 13 50.460 -12.574 -4.179 1.00 0.00 C ATOM 196 O THR C 13 50.690 -11.391 -4.336 1.00 0.00 O ATOM 197 CB THR C 13 48.307 -13.059 -2.971 1.00 0.00 C ATOM 198 OG1 THR C 13 47.840 -11.794 -2.526 1.00 0.00 O ATOM 199 CG2 THR C 13 47.717 -14.160 -2.089 1.00 0.00 C ATOM 0 H THR C 13 49.673 -11.309 -1.726 1.00 0.00 H new ATOM 0 HA THR C 13 50.206 -14.110 -2.737 1.00 0.00 H new ATOM 0 HB THR C 13 47.998 -13.219 -4.004 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.862 -11.768 -2.583 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.629 -14.133 -2.152 1.00 0.00 H new ATOM 0 HG22 THR C 13 48.076 -15.131 -2.430 1.00 0.00 H new ATOM 0 HG23 THR C 13 48.025 -14.002 -1.055 1.00 0.00 H new ATOM 207 N GLU C 14 50.742 -13.446 -5.107 1.00 0.00 N ATOM 208 CA GLU C 14 51.358 -12.999 -6.390 1.00 0.00 C ATOM 209 C GLU C 14 50.681 -11.719 -6.890 1.00 0.00 C ATOM 210 O GLU C 14 51.311 -10.863 -7.479 1.00 0.00 O ATOM 211 CB GLU C 14 51.115 -14.149 -7.366 1.00 0.00 C ATOM 212 CG GLU C 14 52.456 -14.662 -7.895 1.00 0.00 C ATOM 213 CD GLU C 14 53.035 -15.686 -6.916 1.00 0.00 C ATOM 214 OE1 GLU C 14 52.285 -16.171 -6.085 1.00 0.00 O ATOM 215 OE2 GLU C 14 54.218 -15.968 -7.015 1.00 0.00 O ATOM 0 H GLU C 14 50.573 -14.449 -5.033 1.00 0.00 H new ATOM 0 HA GLU C 14 52.418 -12.772 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.576 -14.955 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.491 -13.812 -8.193 1.00 0.00 H new ATOM 0 HG2 GLU C 14 52.321 -15.117 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU C 14 53.150 -13.831 -8.022 1.00 0.00 H new ATOM 222 N GLU C 15 49.402 -11.583 -6.666 1.00 0.00 N ATOM 223 CA GLU C 15 48.691 -10.358 -7.135 1.00 0.00 C ATOM 224 C GLU C 15 49.123 -9.143 -6.309 1.00 0.00 C ATOM 225 O GLU C 15 49.197 -8.037 -6.806 1.00 0.00 O ATOM 226 CB GLU C 15 47.206 -10.653 -6.918 1.00 0.00 C ATOM 227 CG GLU C 15 46.378 -9.895 -7.957 1.00 0.00 C ATOM 228 CD GLU C 15 44.989 -9.603 -7.389 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.857 -9.595 -6.176 1.00 0.00 O ATOM 230 OE2 GLU C 15 44.080 -9.392 -8.175 1.00 0.00 O ATOM 0 H GLU C 15 48.820 -12.265 -6.180 1.00 0.00 H new ATOM 0 HA GLU C 15 48.913 -10.127 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU C 15 47.021 -11.724 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.908 -10.355 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.876 -8.963 -8.225 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.293 -10.485 -8.870 1.00 0.00 H new ATOM 237 N GLN C 16 49.406 -9.340 -5.050 1.00 0.00 N ATOM 238 CA GLN C 16 49.831 -8.195 -4.194 1.00 0.00 C ATOM 239 C GLN C 16 51.332 -7.936 -4.357 1.00 0.00 C ATOM 240 O GLN C 16 51.761 -6.817 -4.553 1.00 0.00 O ATOM 241 CB GLN C 16 49.514 -8.633 -2.764 1.00 0.00 C ATOM 242 CG GLN C 16 50.136 -7.643 -1.776 1.00 0.00 C ATOM 243 CD GLN C 16 49.202 -7.465 -0.578 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.053 -7.858 -0.625 1.00 0.00 O ATOM 245 NE2 GLN C 16 49.650 -6.886 0.502 1.00 0.00 N ATOM 0 H GLN C 16 49.361 -10.243 -4.577 1.00 0.00 H new ATOM 0 HA GLN C 16 49.321 -7.269 -4.461 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.435 -8.680 -2.618 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.904 -9.635 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN C 16 51.108 -8.007 -1.442 1.00 0.00 H new ATOM 0 HG3 GLN C 16 50.306 -6.683 -2.264 1.00 0.00 H new ATOM 0 HE21 GLN C 16 50.614 -6.556 0.541 1.00 0.00 H new ATOM 0 HE22 GLN C 16 49.036 -6.763 1.307 1.00 0.00 H new ATOM 254 N LYS C 17 52.131 -8.964 -4.276 1.00 0.00 N ATOM 255 CA LYS C 17 53.604 -8.780 -4.422 1.00 0.00 C ATOM 256 C LYS C 17 53.914 -7.881 -5.623 1.00 0.00 C ATOM 257 O LYS C 17 54.900 -7.173 -5.641 1.00 0.00 O ATOM 258 CB LYS C 17 54.158 -10.186 -4.650 1.00 0.00 C ATOM 259 CG LYS C 17 54.445 -10.845 -3.301 1.00 0.00 C ATOM 260 CD LYS C 17 54.471 -12.366 -3.471 1.00 0.00 C ATOM 261 CE LYS C 17 55.921 -12.859 -3.456 1.00 0.00 C ATOM 262 NZ LYS C 17 56.299 -12.913 -2.015 1.00 0.00 N ATOM 0 H LYS C 17 51.828 -9.925 -4.115 1.00 0.00 H new ATOM 0 HA LYS C 17 54.046 -8.302 -3.548 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.442 -10.784 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS C 17 55.070 -10.137 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.401 -10.496 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS C 17 53.681 -10.562 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS C 17 53.906 -12.842 -2.669 1.00 0.00 H new ATOM 0 HD3 LYS C 17 53.991 -12.646 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS C 17 56.009 -13.840 -3.923 1.00 0.00 H new ATOM 0 HE3 LYS C 17 56.573 -12.183 -4.009 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 57.286 -12.605 -1.903 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 55.676 -12.284 -1.469 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 56.199 -13.888 -1.666 1.00 0.00 H new ATOM 276 N ASN C 18 53.079 -7.904 -6.627 1.00 0.00 N ATOM 277 CA ASN C 18 53.330 -7.050 -7.823 1.00 0.00 C ATOM 278 C ASN C 18 53.158 -5.571 -7.465 1.00 0.00 C ATOM 279 O ASN C 18 53.964 -4.737 -7.829 1.00 0.00 O ATOM 280 CB ASN C 18 52.278 -7.480 -8.846 1.00 0.00 C ATOM 281 CG ASN C 18 52.796 -8.683 -9.637 1.00 0.00 C ATOM 282 OD1 ASN C 18 53.140 -8.561 -10.796 1.00 0.00 O ATOM 283 ND2 ASN C 18 52.867 -9.849 -9.055 1.00 0.00 N ATOM 0 H ASN C 18 52.236 -8.476 -6.670 1.00 0.00 H new ATOM 0 HA ASN C 18 54.343 -7.167 -8.207 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.348 -7.738 -8.340 1.00 0.00 H new ATOM 0 HB3 ASN C 18 52.055 -6.655 -9.523 1.00 0.00 H new ATOM 0 HD21 ASN C 18 53.211 -10.657 -9.573 1.00 0.00 H new ATOM 0 HD22 ASN C 18 52.578 -9.952 -8.082 1.00 0.00 H new ATOM 290 N GLU C 19 52.115 -5.239 -6.754 1.00 0.00 N ATOM 291 CA GLU C 19 51.894 -3.814 -6.373 1.00 0.00 C ATOM 292 C GLU C 19 53.133 -3.258 -5.667 1.00 0.00 C ATOM 293 O GLU C 19 53.638 -2.207 -6.014 1.00 0.00 O ATOM 294 CB GLU C 19 50.697 -3.839 -5.421 1.00 0.00 C ATOM 295 CG GLU C 19 49.444 -3.374 -6.163 1.00 0.00 C ATOM 296 CD GLU C 19 48.987 -2.026 -5.601 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.758 -1.083 -5.673 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.874 -1.960 -5.107 1.00 0.00 O ATOM 0 H GLU C 19 51.406 -5.892 -6.420 1.00 0.00 H new ATOM 0 HA GLU C 19 51.711 -3.178 -7.239 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.549 -4.847 -5.032 1.00 0.00 H new ATOM 0 HB3 GLU C 19 50.887 -3.192 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.653 -3.283 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU C 19 48.650 -4.113 -6.055 1.00 0.00 H new ATOM 305 N PHE C 20 53.628 -3.954 -4.682 1.00 0.00 N ATOM 306 CA PHE C 20 54.835 -3.464 -3.957 1.00 0.00 C ATOM 307 C PHE C 20 56.050 -3.472 -4.889 1.00 0.00 C ATOM 308 O PHE C 20 56.934 -2.646 -4.782 1.00 0.00 O ATOM 309 CB PHE C 20 55.036 -4.453 -2.809 1.00 0.00 C ATOM 310 CG PHE C 20 54.076 -4.127 -1.689 1.00 0.00 C ATOM 311 CD1 PHE C 20 52.711 -4.395 -1.836 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.554 -3.557 -0.504 1.00 0.00 C ATOM 313 CE1 PHE C 20 51.822 -4.094 -0.798 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.666 -3.256 0.535 1.00 0.00 C ATOM 315 CZ PHE C 20 52.300 -3.524 0.388 1.00 0.00 C ATOM 0 H PHE C 20 53.250 -4.840 -4.347 1.00 0.00 H new ATOM 0 HA PHE C 20 54.715 -2.442 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE C 20 54.870 -5.472 -3.159 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.063 -4.403 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE C 20 52.343 -4.835 -2.751 1.00 0.00 H new ATOM 0 HD2 PHE C 20 55.608 -3.349 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE C 20 50.768 -4.301 -0.912 1.00 0.00 H new ATOM 0 HE2 PHE C 20 54.035 -2.817 1.450 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.615 -3.291 1.190 1.00 0.00 H new ATOM 325 N LYS C 21 56.099 -4.402 -5.804 1.00 0.00 N ATOM 326 CA LYS C 21 57.255 -4.467 -6.744 1.00 0.00 C ATOM 327 C LYS C 21 57.447 -3.118 -7.443 1.00 0.00 C ATOM 328 O LYS C 21 58.553 -2.712 -7.738 1.00 0.00 O ATOM 329 CB LYS C 21 56.877 -5.546 -7.759 1.00 0.00 C ATOM 330 CG LYS C 21 57.773 -6.771 -7.561 1.00 0.00 C ATOM 331 CD LYS C 21 59.167 -6.480 -8.118 1.00 0.00 C ATOM 332 CE LYS C 21 60.205 -6.640 -7.005 1.00 0.00 C ATOM 333 NZ LYS C 21 61.496 -6.864 -7.710 1.00 0.00 N ATOM 0 H LYS C 21 55.388 -5.120 -5.941 1.00 0.00 H new ATOM 0 HA LYS C 21 58.190 -4.695 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS C 21 55.830 -5.824 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.988 -5.161 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS C 21 57.838 -7.020 -6.502 1.00 0.00 H new ATOM 0 HG3 LYS C 21 57.342 -7.636 -8.066 1.00 0.00 H new ATOM 0 HD2 LYS C 21 59.391 -7.160 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS C 21 59.205 -5.469 -8.522 1.00 0.00 H new ATOM 0 HE2 LYS C 21 60.248 -5.751 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.960 -7.480 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 62.257 -6.983 -7.011 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 61.427 -7.720 -8.296 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 61.707 -6.046 -8.316 1.00 0.00 H new ATOM 347 N ALA C 22 56.376 -2.424 -7.712 1.00 0.00 N ATOM 348 CA ALA C 22 56.494 -1.104 -8.397 1.00 0.00 C ATOM 349 C ALA C 22 57.353 -0.144 -7.567 1.00 0.00 C ATOM 350 O ALA C 22 58.385 0.320 -8.009 1.00 0.00 O ATOM 351 CB ALA C 22 55.060 -0.585 -8.501 1.00 0.00 C ATOM 0 H ALA C 22 55.424 -2.713 -7.488 1.00 0.00 H new ATOM 0 HA ALA C 22 56.972 -1.189 -9.373 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.060 0.386 -8.995 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.460 -1.287 -9.080 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.636 -0.484 -7.502 1.00 0.00 H new ATOM 357 N ALA C 23 56.933 0.160 -6.368 1.00 0.00 N ATOM 358 CA ALA C 23 57.725 1.093 -5.516 1.00 0.00 C ATOM 359 C ALA C 23 59.181 0.628 -5.422 1.00 0.00 C ATOM 360 O ALA C 23 60.102 1.385 -5.658 1.00 0.00 O ATOM 361 CB ALA C 23 57.056 1.040 -4.142 1.00 0.00 C ATOM 0 H ALA C 23 56.077 -0.197 -5.943 1.00 0.00 H new ATOM 0 HA ALA C 23 57.744 2.104 -5.923 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.583 1.703 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.018 1.360 -4.230 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.090 0.020 -3.760 1.00 0.00 H new ATOM 367 N PHE C 24 59.399 -0.612 -5.075 1.00 0.00 N ATOM 368 CA PHE C 24 60.796 -1.121 -4.962 1.00 0.00 C ATOM 369 C PHE C 24 61.579 -0.820 -6.244 1.00 0.00 C ATOM 370 O PHE C 24 62.667 -0.279 -6.206 1.00 0.00 O ATOM 371 CB PHE C 24 60.653 -2.630 -4.768 1.00 0.00 C ATOM 372 CG PHE C 24 62.024 -3.256 -4.667 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.753 -3.153 -3.477 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.566 -3.936 -5.764 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.025 -3.731 -3.383 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.837 -4.515 -5.670 1.00 0.00 C ATOM 377 CZ PHE C 24 64.567 -4.412 -4.480 1.00 0.00 C ATOM 0 H PHE C 24 58.670 -1.294 -4.865 1.00 0.00 H new ATOM 0 HA PHE C 24 61.338 -0.651 -4.141 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.079 -2.839 -3.865 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.104 -3.065 -5.603 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.335 -2.628 -2.631 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.004 -4.014 -6.683 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.588 -3.652 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.254 -5.041 -6.516 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.548 -4.858 -4.408 1.00 0.00 H new ATOM 387 N ASP C 25 61.038 -1.170 -7.378 1.00 0.00 N ATOM 388 CA ASP C 25 61.753 -0.909 -8.661 1.00 0.00 C ATOM 389 C ASP C 25 62.279 0.529 -8.700 1.00 0.00 C ATOM 390 O ASP C 25 63.445 0.767 -8.943 1.00 0.00 O ATOM 391 CB ASP C 25 60.702 -1.124 -9.751 1.00 0.00 C ATOM 392 CG ASP C 25 61.341 -0.912 -11.125 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.176 -0.031 -11.239 1.00 0.00 O ATOM 394 OD2 ASP C 25 60.982 -1.636 -12.039 1.00 0.00 O ATOM 0 H ASP C 25 60.131 -1.626 -7.473 1.00 0.00 H new ATOM 0 HA ASP C 25 62.616 -1.562 -8.789 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.291 -2.131 -9.681 1.00 0.00 H new ATOM 0 HB3 ASP C 25 59.872 -0.431 -9.613 1.00 0.00 H new ATOM 399 N ILE C 26 61.427 1.490 -8.469 1.00 0.00 N ATOM 400 CA ILE C 26 61.879 2.911 -8.499 1.00 0.00 C ATOM 401 C ILE C 26 62.790 3.211 -7.305 1.00 0.00 C ATOM 402 O ILE C 26 63.597 4.117 -7.341 1.00 0.00 O ATOM 403 CB ILE C 26 60.595 3.736 -8.415 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.856 3.664 -9.753 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.943 5.192 -8.103 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.905 2.466 -9.749 1.00 0.00 C ATOM 0 H ILE C 26 60.438 1.353 -8.261 1.00 0.00 H new ATOM 0 HA ILE C 26 62.455 3.139 -9.396 1.00 0.00 H new ATOM 0 HB ILE C 26 59.958 3.338 -7.625 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.297 4.584 -9.921 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.571 3.571 -10.571 1.00 0.00 H new ATOM 0 HG21 ILE C 26 60.027 5.780 -8.043 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.471 5.244 -7.151 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.580 5.591 -8.893 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.379 2.416 -10.702 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.475 1.549 -9.600 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.182 2.578 -8.941 1.00 0.00 H new ATOM 418 N PHE C 27 62.666 2.459 -6.247 1.00 0.00 N ATOM 419 CA PHE C 27 63.525 2.707 -5.054 1.00 0.00 C ATOM 420 C PHE C 27 64.975 2.308 -5.351 1.00 0.00 C ATOM 421 O PHE C 27 65.884 2.656 -4.625 1.00 0.00 O ATOM 422 CB PHE C 27 62.937 1.827 -3.951 1.00 0.00 C ATOM 423 CG PHE C 27 62.063 2.670 -3.052 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.234 3.652 -3.605 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.083 2.469 -1.667 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.425 4.435 -2.773 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.274 3.251 -0.834 1.00 0.00 C ATOM 428 CZ PHE C 27 60.444 4.234 -1.388 1.00 0.00 C ATOM 0 H PHE C 27 62.008 1.685 -6.156 1.00 0.00 H new ATOM 0 HA PHE C 27 63.541 3.759 -4.768 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.354 1.017 -4.389 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.737 1.367 -3.372 1.00 0.00 H new ATOM 0 HD1 PHE C 27 61.218 3.806 -4.674 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.723 1.710 -1.241 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.786 5.194 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.290 3.097 0.235 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.819 4.837 -0.746 1.00 0.00 H new ATOM 438 N VAL C 28 65.195 1.582 -6.412 1.00 0.00 N ATOM 439 CA VAL C 28 66.584 1.163 -6.758 1.00 0.00 C ATOM 440 C VAL C 28 66.955 1.681 -8.150 1.00 0.00 C ATOM 441 O VAL C 28 68.068 2.107 -8.392 1.00 0.00 O ATOM 442 CB VAL C 28 66.543 -0.363 -6.740 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.017 -0.844 -5.387 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.615 -0.861 -7.851 1.00 0.00 C ATOM 0 H VAL C 28 64.472 1.260 -7.056 1.00 0.00 H new ATOM 0 HA VAL C 28 67.328 1.558 -6.066 1.00 0.00 H new ATOM 0 HB VAL C 28 67.548 -0.754 -6.900 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.988 -1.934 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.675 -0.489 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.012 -0.452 -5.227 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.585 -1.951 -7.839 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.611 -0.469 -7.690 1.00 0.00 H new ATOM 0 HG23 VAL C 28 65.987 -0.519 -8.817 1.00 0.00 H new ATOM 454 N LEU C 29 66.026 1.652 -9.065 1.00 0.00 N ATOM 455 CA LEU C 29 66.306 2.145 -10.445 1.00 0.00 C ATOM 456 C LEU C 29 67.684 1.675 -10.928 1.00 0.00 C ATOM 457 O LEU C 29 67.823 0.607 -11.489 1.00 0.00 O ATOM 458 CB LEU C 29 66.261 3.671 -10.340 1.00 0.00 C ATOM 459 CG LEU C 29 64.895 4.173 -10.813 1.00 0.00 C ATOM 460 CD1 LEU C 29 64.746 5.655 -10.465 1.00 0.00 C ATOM 461 CD2 LEU C 29 64.786 3.996 -12.330 1.00 0.00 C ATOM 0 H LEU C 29 65.078 1.306 -8.916 1.00 0.00 H new ATOM 0 HA LEU C 29 65.583 1.763 -11.165 1.00 0.00 H new ATOM 0 HB2 LEU C 29 66.438 3.981 -9.310 1.00 0.00 H new ATOM 0 HB3 LEU C 29 67.053 4.112 -10.946 1.00 0.00 H new ATOM 0 HG LEU C 29 64.108 3.602 -10.320 1.00 0.00 H new ATOM 0 HD11 LEU C 29 63.773 6.012 -10.802 1.00 0.00 H new ATOM 0 HD12 LEU C 29 64.826 5.785 -9.386 1.00 0.00 H new ATOM 0 HD13 LEU C 29 65.533 6.226 -10.959 1.00 0.00 H new ATOM 0 HD21 LEU C 29 63.814 4.353 -12.669 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.574 4.568 -12.821 1.00 0.00 H new ATOM 0 HD23 LEU C 29 64.893 2.941 -12.582 1.00 0.00 H new ATOM 473 N GLY C 30 68.702 2.468 -10.726 1.00 0.00 N ATOM 474 CA GLY C 30 70.061 2.064 -11.190 1.00 0.00 C ATOM 475 C GLY C 30 70.843 1.442 -10.034 1.00 0.00 C ATOM 476 O GLY C 30 72.052 1.323 -10.086 1.00 0.00 O ATOM 0 H GLY C 30 68.652 3.375 -10.262 1.00 0.00 H new ATOM 0 HA2 GLY C 30 69.977 1.350 -12.009 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.595 2.932 -11.577 1.00 0.00 H new ATOM 480 N ALA C 31 70.171 1.041 -8.992 1.00 0.00 N ATOM 481 CA ALA C 31 70.892 0.425 -7.841 1.00 0.00 C ATOM 482 C ALA C 31 71.894 -0.616 -8.348 1.00 0.00 C ATOM 483 O ALA C 31 71.616 -1.367 -9.261 1.00 0.00 O ATOM 484 CB ALA C 31 69.805 -0.243 -7.000 1.00 0.00 C ATOM 0 H ALA C 31 69.159 1.112 -8.886 1.00 0.00 H new ATOM 0 HA ALA C 31 71.455 1.159 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.259 -0.720 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.088 0.508 -6.668 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.291 -0.994 -7.600 1.00 0.00 H new ATOM 490 N GLU C 32 73.060 -0.666 -7.764 1.00 0.00 N ATOM 491 CA GLU C 32 74.079 -1.657 -8.215 1.00 0.00 C ATOM 492 C GLU C 32 73.566 -3.082 -7.992 1.00 0.00 C ATOM 493 O GLU C 32 73.689 -3.938 -8.846 1.00 0.00 O ATOM 494 CB GLU C 32 75.308 -1.387 -7.346 1.00 0.00 C ATOM 495 CG GLU C 32 75.984 -0.093 -7.803 1.00 0.00 C ATOM 496 CD GLU C 32 76.827 -0.369 -9.049 1.00 0.00 C ATOM 497 OE1 GLU C 32 76.804 -1.496 -9.519 1.00 0.00 O ATOM 498 OE2 GLU C 32 77.482 0.550 -9.513 1.00 0.00 O ATOM 0 H GLU C 32 73.351 -0.064 -6.994 1.00 0.00 H new ATOM 0 HA GLU C 32 74.303 -1.563 -9.277 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.015 -1.306 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.007 -2.220 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.232 0.665 -8.021 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.613 0.302 -7.006 1.00 0.00 H new ATOM 505 N ASP C 33 72.991 -3.344 -6.850 1.00 0.00 N ATOM 506 CA ASP C 33 72.471 -4.714 -6.574 1.00 0.00 C ATOM 507 C ASP C 33 70.965 -4.661 -6.298 1.00 0.00 C ATOM 508 O ASP C 33 70.458 -5.353 -5.437 1.00 0.00 O ATOM 509 CB ASP C 33 73.229 -5.181 -5.331 1.00 0.00 C ATOM 510 CG ASP C 33 73.756 -6.599 -5.560 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.083 -6.913 -6.693 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.826 -7.346 -4.598 1.00 0.00 O ATOM 0 H ASP C 33 72.859 -2.669 -6.096 1.00 0.00 H new ATOM 0 HA ASP C 33 72.616 -5.390 -7.417 1.00 0.00 H new ATOM 0 HB2 ASP C 33 74.056 -4.503 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP C 33 72.571 -5.161 -4.462 1.00 0.00 H new ATOM 517 N GLY C 34 70.248 -3.847 -7.021 1.00 0.00 N ATOM 518 CA GLY C 34 68.777 -3.751 -6.801 1.00 0.00 C ATOM 519 C GLY C 34 68.500 -3.423 -5.332 1.00 0.00 C ATOM 520 O GLY C 34 67.490 -3.812 -4.780 1.00 0.00 O ATOM 0 H GLY C 34 70.617 -3.243 -7.756 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.352 -2.979 -7.443 1.00 0.00 H new ATOM 0 HA3 GLY C 34 68.296 -4.691 -7.072 1.00 0.00 H new ATOM 524 N CYS C 35 69.387 -2.708 -4.698 1.00 0.00 N ATOM 525 CA CYS C 35 69.172 -2.353 -3.265 1.00 0.00 C ATOM 526 C CYS C 35 68.791 -0.877 -3.139 1.00 0.00 C ATOM 527 O CYS C 35 68.598 -0.190 -4.124 1.00 0.00 O ATOM 528 CB CYS C 35 70.512 -2.622 -2.582 1.00 0.00 C ATOM 529 SG CYS C 35 71.731 -1.407 -3.146 1.00 0.00 S ATOM 0 H CYS C 35 70.251 -2.354 -5.108 1.00 0.00 H new ATOM 0 HA CYS C 35 68.364 -2.929 -2.814 1.00 0.00 H new ATOM 0 HB2 CYS C 35 70.399 -2.564 -1.499 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.854 -3.631 -2.813 1.00 0.00 H new ATOM 0 HG CYS C 35 72.871 -1.634 -2.564 1.00 0.00 H new ATOM 535 N ILE C 36 68.680 -0.383 -1.937 1.00 0.00 N ATOM 536 CA ILE C 36 68.311 1.051 -1.754 1.00 0.00 C ATOM 537 C ILE C 36 69.213 1.704 -0.704 1.00 0.00 C ATOM 538 O ILE C 36 69.439 1.165 0.361 1.00 0.00 O ATOM 539 CB ILE C 36 66.861 1.029 -1.273 1.00 0.00 C ATOM 540 CG1 ILE C 36 65.973 0.413 -2.358 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.398 2.458 -0.987 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.755 -0.244 -1.709 1.00 0.00 C ATOM 0 H ILE C 36 68.828 -0.908 -1.075 1.00 0.00 H new ATOM 0 HA ILE C 36 68.429 1.625 -2.673 1.00 0.00 H new ATOM 0 HB ILE C 36 66.789 0.434 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.653 1.182 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.537 -0.325 -2.928 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.364 2.443 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.030 2.898 -0.216 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.470 3.053 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.123 -0.682 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.085 -1.025 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.187 0.506 -1.158 1.00 0.00 H new ATOM 554 N SER C 37 69.724 2.864 -1.002 1.00 0.00 N ATOM 555 CA SER C 37 70.611 3.571 -0.033 1.00 0.00 C ATOM 556 C SER C 37 70.163 5.022 0.103 1.00 0.00 C ATOM 557 O SER C 37 70.965 5.923 0.211 1.00 0.00 O ATOM 558 CB SER C 37 71.992 3.511 -0.660 1.00 0.00 C ATOM 559 OG SER C 37 72.912 2.953 0.269 1.00 0.00 O ATOM 0 H SER C 37 69.566 3.358 -1.880 1.00 0.00 H new ATOM 0 HA SER C 37 70.589 3.124 0.961 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.965 2.908 -1.568 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.314 4.511 -0.951 1.00 0.00 H new ATOM 0 HG SER C 37 73.803 2.913 -0.137 1.00 0.00 H new ATOM 565 N THR C 38 68.881 5.236 0.074 1.00 0.00 N ATOM 566 CA THR C 38 68.313 6.620 0.175 1.00 0.00 C ATOM 567 C THR C 38 68.524 7.358 -1.150 1.00 0.00 C ATOM 568 O THR C 38 67.597 7.894 -1.723 1.00 0.00 O ATOM 569 CB THR C 38 69.046 7.336 1.323 1.00 0.00 C ATOM 570 OG1 THR C 38 70.217 7.970 0.828 1.00 0.00 O ATOM 571 CG2 THR C 38 69.421 6.336 2.422 1.00 0.00 C ATOM 0 H THR C 38 68.182 4.499 -0.017 1.00 0.00 H new ATOM 0 HA THR C 38 67.242 6.594 0.376 1.00 0.00 H new ATOM 0 HB THR C 38 68.381 8.089 1.746 1.00 0.00 H new ATOM 0 HG1 THR C 38 70.918 7.300 0.689 1.00 0.00 H new ATOM 0 HG21 THR C 38 69.939 6.857 3.227 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.517 5.870 2.814 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.074 5.568 2.008 1.00 0.00 H new ATOM 579 N LYS C 39 69.729 7.378 -1.654 1.00 0.00 N ATOM 580 CA LYS C 39 69.972 8.070 -2.951 1.00 0.00 C ATOM 581 C LYS C 39 68.872 7.687 -3.945 1.00 0.00 C ATOM 582 O LYS C 39 68.353 8.515 -4.665 1.00 0.00 O ATOM 583 CB LYS C 39 71.332 7.558 -3.426 1.00 0.00 C ATOM 584 CG LYS C 39 71.821 8.415 -4.595 1.00 0.00 C ATOM 585 CD LYS C 39 73.197 7.923 -5.047 1.00 0.00 C ATOM 586 CE LYS C 39 74.260 8.955 -4.663 1.00 0.00 C ATOM 587 NZ LYS C 39 75.245 8.925 -5.781 1.00 0.00 N ATOM 0 H LYS C 39 70.549 6.948 -1.227 1.00 0.00 H new ATOM 0 HA LYS C 39 69.964 9.156 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS C 39 72.052 7.595 -2.608 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.252 6.515 -3.734 1.00 0.00 H new ATOM 0 HG2 LYS C 39 71.113 8.359 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS C 39 71.878 9.461 -4.294 1.00 0.00 H new ATOM 0 HD2 LYS C 39 73.422 6.963 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.202 7.764 -6.125 1.00 0.00 H new ATOM 0 HE2 LYS C 39 73.824 9.947 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.732 8.702 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 76.007 9.607 -5.591 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 75.648 7.970 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 74.768 9.177 -6.670 1.00 0.00 H new ATOM 601 N GLU C 40 68.504 6.434 -3.973 1.00 0.00 N ATOM 602 CA GLU C 40 67.425 5.989 -4.901 1.00 0.00 C ATOM 603 C GLU C 40 66.075 6.084 -4.189 1.00 0.00 C ATOM 604 O GLU C 40 65.046 6.293 -4.799 1.00 0.00 O ATOM 605 CB GLU C 40 67.745 4.529 -5.227 1.00 0.00 C ATOM 606 CG GLU C 40 69.220 4.385 -5.609 1.00 0.00 C ATOM 607 CD GLU C 40 69.417 4.824 -7.061 1.00 0.00 C ATOM 608 OE1 GLU C 40 68.580 5.562 -7.555 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.402 4.415 -7.654 1.00 0.00 O ATOM 0 H GLU C 40 68.905 5.698 -3.392 1.00 0.00 H new ATOM 0 HA GLU C 40 67.374 6.600 -5.802 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.521 3.899 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.114 4.185 -6.046 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.839 4.992 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.539 3.350 -5.484 1.00 0.00 H new ATOM 616 N LEU C 41 66.082 5.926 -2.893 1.00 0.00 N ATOM 617 CA LEU C 41 64.814 5.999 -2.116 1.00 0.00 C ATOM 618 C LEU C 41 64.364 7.461 -1.985 1.00 0.00 C ATOM 619 O LEU C 41 63.249 7.809 -2.319 1.00 0.00 O ATOM 620 CB LEU C 41 65.173 5.379 -0.753 1.00 0.00 C ATOM 621 CG LEU C 41 64.518 6.155 0.396 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.998 6.067 0.272 1.00 0.00 C ATOM 623 CD2 LEU C 41 64.953 5.549 1.732 1.00 0.00 C ATOM 0 H LEU C 41 66.918 5.748 -2.337 1.00 0.00 H new ATOM 0 HA LEU C 41 63.983 5.474 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU C 41 64.847 4.339 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.255 5.377 -0.624 1.00 0.00 H new ATOM 0 HG LEU C 41 64.827 7.199 0.350 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.534 6.619 1.089 1.00 0.00 H new ATOM 0 HD12 LEU C 41 62.685 6.496 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.689 5.023 0.318 1.00 0.00 H new ATOM 0 HD21 LEU C 41 64.488 6.100 2.550 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.644 4.505 1.776 1.00 0.00 H new ATOM 0 HD23 LEU C 41 66.037 5.610 1.823 1.00 0.00 H new ATOM 635 N GLY C 42 65.222 8.315 -1.496 1.00 0.00 N ATOM 636 CA GLY C 42 64.842 9.748 -1.341 1.00 0.00 C ATOM 637 C GLY C 42 64.260 10.269 -2.656 1.00 0.00 C ATOM 638 O GLY C 42 63.370 11.098 -2.667 1.00 0.00 O ATOM 0 H GLY C 42 66.169 8.082 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.111 9.856 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.714 10.338 -1.059 1.00 0.00 H new ATOM 642 N LYS C 43 64.753 9.791 -3.766 1.00 0.00 N ATOM 643 CA LYS C 43 64.226 10.261 -5.079 1.00 0.00 C ATOM 644 C LYS C 43 62.696 10.204 -5.083 1.00 0.00 C ATOM 645 O LYS C 43 62.038 11.008 -5.712 1.00 0.00 O ATOM 646 CB LYS C 43 64.803 9.289 -6.109 1.00 0.00 C ATOM 647 CG LYS C 43 65.523 10.075 -7.205 1.00 0.00 C ATOM 648 CD LYS C 43 66.371 9.120 -8.048 1.00 0.00 C ATOM 649 CE LYS C 43 65.456 8.144 -8.791 1.00 0.00 C ATOM 650 NZ LYS C 43 65.216 8.779 -10.118 1.00 0.00 N ATOM 0 H LYS C 43 65.497 9.096 -3.821 1.00 0.00 H new ATOM 0 HA LYS C 43 64.506 11.292 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.496 8.600 -5.626 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.005 8.687 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS C 43 64.797 10.587 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS C 43 66.156 10.843 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS C 43 66.973 9.684 -8.760 1.00 0.00 H new ATOM 0 HD3 LYS C 43 67.063 8.571 -7.409 1.00 0.00 H new ATOM 0 HE2 LYS C 43 65.926 7.167 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS C 43 64.521 7.990 -8.252 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 64.401 8.325 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 65.021 9.792 -9.988 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 66.059 8.663 -10.716 1.00 0.00 H new ATOM 664 N VAL C 44 62.128 9.259 -4.386 1.00 0.00 N ATOM 665 CA VAL C 44 60.644 9.151 -4.347 1.00 0.00 C ATOM 666 C VAL C 44 60.068 10.150 -3.343 1.00 0.00 C ATOM 667 O VAL C 44 59.044 10.761 -3.578 1.00 0.00 O ATOM 668 CB VAL C 44 60.369 7.718 -3.896 1.00 0.00 C ATOM 669 CG1 VAL C 44 58.866 7.526 -3.704 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.879 6.742 -4.960 1.00 0.00 C ATOM 0 H VAL C 44 62.629 8.557 -3.842 1.00 0.00 H new ATOM 0 HA VAL C 44 60.186 9.372 -5.311 1.00 0.00 H new ATOM 0 HB VAL C 44 60.882 7.527 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.668 6.504 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.504 8.221 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.352 7.716 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.683 5.719 -4.639 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.366 6.931 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL C 44 61.952 6.880 -5.097 1.00 0.00 H new ATOM 680 N MET C 45 60.718 10.323 -2.224 1.00 0.00 N ATOM 681 CA MET C 45 60.205 11.288 -1.210 1.00 0.00 C ATOM 682 C MET C 45 59.939 12.640 -1.872 1.00 0.00 C ATOM 683 O MET C 45 59.001 13.334 -1.537 1.00 0.00 O ATOM 684 CB MET C 45 61.315 11.399 -0.166 1.00 0.00 C ATOM 685 CG MET C 45 61.114 10.327 0.908 1.00 0.00 C ATOM 686 SD MET C 45 61.057 8.692 0.130 1.00 0.00 S ATOM 687 CE MET C 45 59.275 8.649 -0.188 1.00 0.00 C ATOM 0 H MET C 45 61.579 9.840 -1.969 1.00 0.00 H new ATOM 0 HA MET C 45 59.267 10.964 -0.760 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.289 11.276 -0.640 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.305 12.390 0.288 1.00 0.00 H new ATOM 0 HG2 MET C 45 61.926 10.368 1.634 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.189 10.514 1.454 1.00 0.00 H new ATOM 0 HE1 MET C 45 58.944 7.613 -0.263 1.00 0.00 H new ATOM 0 HE2 MET C 45 58.748 9.140 0.630 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.060 9.167 -1.122 1.00 0.00 H new ATOM 697 N ARG C 46 60.752 13.012 -2.824 1.00 0.00 N ATOM 698 CA ARG C 46 60.534 14.311 -3.520 1.00 0.00 C ATOM 699 C ARG C 46 59.389 14.161 -4.522 1.00 0.00 C ATOM 700 O ARG C 46 58.800 15.130 -4.960 1.00 0.00 O ATOM 701 CB ARG C 46 61.851 14.604 -4.240 1.00 0.00 C ATOM 702 CG ARG C 46 62.080 13.560 -5.334 1.00 0.00 C ATOM 703 CD ARG C 46 62.403 14.264 -6.653 1.00 0.00 C ATOM 704 NE ARG C 46 63.799 14.760 -6.492 1.00 0.00 N ATOM 705 CZ ARG C 46 64.019 16.019 -6.232 1.00 0.00 C ATOM 706 NH1 ARG C 46 64.072 16.431 -4.994 1.00 0.00 N ATOM 707 NH2 ARG C 46 64.185 16.868 -7.209 1.00 0.00 N ATOM 0 H ARG C 46 61.555 12.474 -3.149 1.00 0.00 H new ATOM 0 HA ARG C 46 60.266 15.117 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.825 15.603 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG C 46 62.677 14.588 -3.529 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.899 12.898 -5.053 1.00 0.00 H new ATOM 0 HG3 ARG C 46 61.192 12.938 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG C 46 62.322 13.579 -7.497 1.00 0.00 H new ATOM 0 HD3 ARG C 46 61.711 15.085 -6.842 1.00 0.00 H new ATOM 0 HE ARG C 46 64.583 14.114 -6.585 1.00 0.00 H new ATOM 0 HH11 ARG C 46 63.941 15.768 -4.230 1.00 0.00 H new ATOM 0 HH12 ARG C 46 64.244 17.416 -4.791 1.00 0.00 H new ATOM 0 HH21 ARG C 46 64.143 16.547 -8.176 1.00 0.00 H new ATOM 0 HH22 ARG C 46 64.357 17.853 -7.005 1.00 0.00 H new ATOM 721 N MET C 47 59.065 12.947 -4.879 1.00 0.00 N ATOM 722 CA MET C 47 57.952 12.720 -5.843 1.00 0.00 C ATOM 723 C MET C 47 56.619 12.687 -5.092 1.00 0.00 C ATOM 724 O MET C 47 55.600 13.117 -5.593 1.00 0.00 O ATOM 725 CB MET C 47 58.247 11.359 -6.476 1.00 0.00 C ATOM 726 CG MET C 47 59.201 11.537 -7.658 1.00 0.00 C ATOM 727 SD MET C 47 58.765 10.367 -8.969 1.00 0.00 S ATOM 728 CE MET C 47 58.729 8.877 -7.943 1.00 0.00 C ATOM 0 H MET C 47 59.525 12.101 -4.543 1.00 0.00 H new ATOM 0 HA MET C 47 57.881 13.507 -6.594 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.689 10.691 -5.737 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.320 10.894 -6.811 1.00 0.00 H new ATOM 0 HG2 MET C 47 59.144 12.558 -8.034 1.00 0.00 H new ATOM 0 HG3 MET C 47 60.229 11.373 -7.337 1.00 0.00 H new ATOM 0 HE1 MET C 47 58.510 8.011 -8.567 1.00 0.00 H new ATOM 0 HE2 MET C 47 59.698 8.742 -7.463 1.00 0.00 H new ATOM 0 HE3 MET C 47 57.957 8.979 -7.180 1.00 0.00 H new ATOM 738 N LEU C 48 56.623 12.182 -3.887 1.00 0.00 N ATOM 739 CA LEU C 48 55.360 12.123 -3.097 1.00 0.00 C ATOM 740 C LEU C 48 54.878 13.540 -2.773 1.00 0.00 C ATOM 741 O LEU C 48 53.707 13.772 -2.547 1.00 0.00 O ATOM 742 CB LEU C 48 55.730 11.379 -1.811 1.00 0.00 C ATOM 743 CG LEU C 48 56.157 9.948 -2.145 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.207 9.114 -0.863 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.150 9.327 -3.115 1.00 0.00 C ATOM 0 H LEU C 48 57.447 11.808 -3.416 1.00 0.00 H new ATOM 0 HA LEU C 48 54.556 11.625 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.539 11.900 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU C 48 54.879 11.365 -1.130 1.00 0.00 H new ATOM 0 HG LEU C 48 57.145 9.965 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU C 48 56.511 8.095 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU C 48 56.925 9.554 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU C 48 55.220 9.098 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.455 8.308 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.162 9.312 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU C 48 55.115 9.918 -4.030 1.00 0.00 H new ATOM 757 N GLY C 49 55.775 14.488 -2.747 1.00 0.00 N ATOM 758 CA GLY C 49 55.373 15.889 -2.437 1.00 0.00 C ATOM 759 C GLY C 49 56.054 16.338 -1.142 1.00 0.00 C ATOM 760 O GLY C 49 55.595 17.238 -0.467 1.00 0.00 O ATOM 0 H GLY C 49 56.770 14.352 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.654 16.550 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.290 15.954 -2.333 1.00 0.00 H new ATOM 764 N GLN C 50 57.145 15.714 -0.792 1.00 0.00 N ATOM 765 CA GLN C 50 57.859 16.102 0.458 1.00 0.00 C ATOM 766 C GLN C 50 59.368 15.917 0.282 1.00 0.00 C ATOM 767 O GLN C 50 59.877 15.912 -0.821 1.00 0.00 O ATOM 768 CB GLN C 50 57.323 15.151 1.529 1.00 0.00 C ATOM 769 CG GLN C 50 56.793 15.962 2.713 1.00 0.00 C ATOM 770 CD GLN C 50 57.585 15.606 3.972 1.00 0.00 C ATOM 771 OE1 GLN C 50 58.751 15.930 4.083 1.00 0.00 O ATOM 772 NE2 GLN C 50 56.997 14.948 4.934 1.00 0.00 N ATOM 0 H GLN C 50 57.573 14.952 -1.318 1.00 0.00 H new ATOM 0 HA GLN C 50 57.696 17.147 0.722 1.00 0.00 H new ATOM 0 HB2 GLN C 50 56.528 14.531 1.115 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.113 14.477 1.861 1.00 0.00 H new ATOM 0 HG2 GLN C 50 56.881 17.028 2.505 1.00 0.00 H new ATOM 0 HG3 GLN C 50 55.734 15.753 2.866 1.00 0.00 H new ATOM 0 HE21 GLN C 50 56.018 14.676 4.842 1.00 0.00 H new ATOM 0 HE22 GLN C 50 57.516 14.706 5.778 1.00 0.00 H new ATOM 781 N ASN C 51 60.088 15.765 1.359 1.00 0.00 N ATOM 782 CA ASN C 51 61.564 15.580 1.249 1.00 0.00 C ATOM 783 C ASN C 51 62.210 15.635 2.635 1.00 0.00 C ATOM 784 O ASN C 51 62.536 16.697 3.127 1.00 0.00 O ATOM 785 CB ASN C 51 62.049 16.745 0.383 1.00 0.00 C ATOM 786 CG ASN C 51 62.745 16.196 -0.864 1.00 0.00 C ATOM 787 OD1 ASN C 51 62.754 15.002 -1.094 1.00 0.00 O ATOM 788 ND2 ASN C 51 63.335 17.022 -1.684 1.00 0.00 N ATOM 0 H ASN C 51 59.719 15.761 2.310 1.00 0.00 H new ATOM 0 HA ASN C 51 61.826 14.615 0.816 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.207 17.374 0.095 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.737 17.373 0.950 1.00 0.00 H new ATOM 0 HD21 ASN C 51 63.803 16.666 -2.517 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.328 18.024 -1.492 1.00 0.00 H new ATOM 795 N PRO C 52 62.377 14.478 3.218 1.00 0.00 N ATOM 796 CA PRO C 52 62.996 14.382 4.563 1.00 0.00 C ATOM 797 C PRO C 52 64.498 14.668 4.479 1.00 0.00 C ATOM 798 O PRO C 52 65.033 14.920 3.418 1.00 0.00 O ATOM 799 CB PRO C 52 62.739 12.935 4.972 1.00 0.00 C ATOM 800 CG PRO C 52 62.579 12.191 3.683 1.00 0.00 C ATOM 801 CD PRO C 52 62.007 13.162 2.683 1.00 0.00 C ATOM 0 HA PRO C 52 62.589 15.099 5.276 1.00 0.00 H new ATOM 0 HB2 PRO C 52 63.568 12.537 5.557 1.00 0.00 H new ATOM 0 HB3 PRO C 52 61.844 12.852 5.589 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.538 11.804 3.339 1.00 0.00 H new ATOM 0 HG3 PRO C 52 61.917 11.335 3.811 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.424 13.003 1.688 1.00 0.00 H new ATOM 0 HD3 PRO C 52 60.926 13.056 2.596 1.00 0.00 H new ATOM 809 N THR C 53 65.184 14.629 5.588 1.00 0.00 N ATOM 810 CA THR C 53 66.650 14.898 5.567 1.00 0.00 C ATOM 811 C THR C 53 67.417 13.606 5.278 1.00 0.00 C ATOM 812 O THR C 53 66.878 12.524 5.399 1.00 0.00 O ATOM 813 CB THR C 53 66.980 15.415 6.968 1.00 0.00 C ATOM 814 OG1 THR C 53 66.749 14.383 7.918 1.00 0.00 O ATOM 815 CG2 THR C 53 66.095 16.619 7.295 1.00 0.00 C ATOM 0 H THR C 53 64.793 14.423 6.507 1.00 0.00 H new ATOM 0 HA THR C 53 66.928 15.614 4.794 1.00 0.00 H new ATOM 0 HB THR C 53 68.026 15.718 7.005 1.00 0.00 H new ATOM 0 HG1 THR C 53 66.962 14.712 8.816 1.00 0.00 H new ATOM 0 HG21 THR C 53 66.333 16.985 8.294 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.273 17.410 6.567 1.00 0.00 H new ATOM 0 HG23 THR C 53 65.047 16.321 7.258 1.00 0.00 H new ATOM 823 N PRO C 54 68.658 13.766 4.905 1.00 0.00 N ATOM 824 CA PRO C 54 69.516 12.595 4.598 1.00 0.00 C ATOM 825 C PRO C 54 69.859 11.839 5.883 1.00 0.00 C ATOM 826 O PRO C 54 69.846 10.625 5.923 1.00 0.00 O ATOM 827 CB PRO C 54 70.764 13.219 3.978 1.00 0.00 C ATOM 828 CG PRO C 54 70.802 14.614 4.515 1.00 0.00 C ATOM 829 CD PRO C 54 69.373 15.035 4.739 1.00 0.00 C ATOM 0 HA PRO C 54 69.039 11.870 3.938 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.661 12.665 4.253 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.709 13.216 2.889 1.00 0.00 H new ATOM 0 HG2 PRO C 54 71.367 14.654 5.446 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.297 15.285 3.813 1.00 0.00 H new ATOM 0 HD2 PRO C 54 69.276 15.668 5.621 1.00 0.00 H new ATOM 0 HD3 PRO C 54 68.986 15.605 3.894 1.00 0.00 H new ATOM 837 N GLU C 55 70.160 12.547 6.938 1.00 0.00 N ATOM 838 CA GLU C 55 70.497 11.866 8.220 1.00 0.00 C ATOM 839 C GLU C 55 69.363 10.919 8.619 1.00 0.00 C ATOM 840 O GLU C 55 69.590 9.858 9.166 1.00 0.00 O ATOM 841 CB GLU C 55 70.645 12.993 9.243 1.00 0.00 C ATOM 842 CG GLU C 55 72.118 13.395 9.352 1.00 0.00 C ATOM 843 CD GLU C 55 72.240 14.654 10.213 1.00 0.00 C ATOM 844 OE1 GLU C 55 72.116 14.537 11.421 1.00 0.00 O ATOM 845 OE2 GLU C 55 72.458 15.715 9.649 1.00 0.00 O ATOM 0 H GLU C 55 70.187 13.566 6.967 1.00 0.00 H new ATOM 0 HA GLU C 55 71.404 11.266 8.148 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.044 13.852 8.943 1.00 0.00 H new ATOM 0 HB3 GLU C 55 70.273 12.667 10.215 1.00 0.00 H new ATOM 0 HG2 GLU C 55 72.696 12.583 9.792 1.00 0.00 H new ATOM 0 HG3 GLU C 55 72.530 13.578 8.360 1.00 0.00 H new ATOM 852 N GLU C 56 68.142 11.292 8.343 1.00 0.00 N ATOM 853 CA GLU C 56 66.996 10.409 8.701 1.00 0.00 C ATOM 854 C GLU C 56 66.784 9.356 7.610 1.00 0.00 C ATOM 855 O GLU C 56 66.373 8.245 7.876 1.00 0.00 O ATOM 856 CB GLU C 56 65.789 11.342 8.792 1.00 0.00 C ATOM 857 CG GLU C 56 65.476 11.627 10.263 1.00 0.00 C ATOM 858 CD GLU C 56 64.646 12.907 10.373 1.00 0.00 C ATOM 859 OE1 GLU C 56 63.753 13.083 9.560 1.00 0.00 O ATOM 860 OE2 GLU C 56 64.916 13.689 11.269 1.00 0.00 O ATOM 0 H GLU C 56 67.890 12.168 7.886 1.00 0.00 H new ATOM 0 HA GLU C 56 67.162 9.871 9.634 1.00 0.00 H new ATOM 0 HB2 GLU C 56 65.995 12.274 8.266 1.00 0.00 H new ATOM 0 HB3 GLU C 56 64.926 10.886 8.307 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.931 10.790 10.698 1.00 0.00 H new ATOM 0 HG3 GLU C 56 66.402 11.732 10.828 1.00 0.00 H new ATOM 867 N LEU C 57 67.067 9.697 6.381 1.00 0.00 N ATOM 868 CA LEU C 57 66.885 8.713 5.276 1.00 0.00 C ATOM 869 C LEU C 57 67.593 7.400 5.625 1.00 0.00 C ATOM 870 O LEU C 57 67.063 6.325 5.425 1.00 0.00 O ATOM 871 CB LEU C 57 67.527 9.365 4.052 1.00 0.00 C ATOM 872 CG LEU C 57 66.456 9.627 2.992 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.118 10.139 1.711 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.707 8.327 2.691 1.00 0.00 C ATOM 0 H LEU C 57 67.415 10.612 6.096 1.00 0.00 H new ATOM 0 HA LEU C 57 65.836 8.473 5.100 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.009 10.300 4.336 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.304 8.716 3.647 1.00 0.00 H new ATOM 0 HG LEU C 57 65.755 10.375 3.363 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.354 10.325 0.956 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.653 11.065 1.923 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.820 9.392 1.340 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.944 8.513 1.936 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.409 7.580 2.321 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.234 7.960 3.602 1.00 0.00 H new ATOM 886 N GLN C 58 68.784 7.480 6.152 1.00 0.00 N ATOM 887 CA GLN C 58 69.523 6.238 6.521 1.00 0.00 C ATOM 888 C GLN C 58 68.764 5.489 7.619 1.00 0.00 C ATOM 889 O GLN C 58 68.739 4.274 7.653 1.00 0.00 O ATOM 890 CB GLN C 58 70.878 6.722 7.038 1.00 0.00 C ATOM 891 CG GLN C 58 71.975 5.762 6.578 1.00 0.00 C ATOM 892 CD GLN C 58 71.707 4.370 7.148 1.00 0.00 C ATOM 893 OE1 GLN C 58 71.720 4.179 8.348 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.460 3.381 6.332 1.00 0.00 N ATOM 0 H GLN C 58 69.278 8.352 6.343 1.00 0.00 H new ATOM 0 HA GLN C 58 69.632 5.552 5.681 1.00 0.00 H new ATOM 0 HB2 GLN C 58 71.082 7.727 6.668 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.864 6.779 8.126 1.00 0.00 H new ATOM 0 HG2 GLN C 58 72.004 5.721 5.489 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.949 6.121 6.910 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.449 3.541 5.325 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.278 2.448 6.702 1.00 0.00 H new ATOM 903 N GLU C 59 68.141 6.206 8.514 1.00 0.00 N ATOM 904 CA GLU C 59 67.379 5.539 9.608 1.00 0.00 C ATOM 905 C GLU C 59 66.278 4.657 9.014 1.00 0.00 C ATOM 906 O GLU C 59 66.095 3.523 9.411 1.00 0.00 O ATOM 907 CB GLU C 59 66.773 6.684 10.421 1.00 0.00 C ATOM 908 CG GLU C 59 66.195 6.135 11.726 1.00 0.00 C ATOM 909 CD GLU C 59 66.205 7.232 12.792 1.00 0.00 C ATOM 910 OE1 GLU C 59 67.189 7.950 12.866 1.00 0.00 O ATOM 911 OE2 GLU C 59 65.228 7.337 13.516 1.00 0.00 O ATOM 0 H GLU C 59 68.127 7.226 8.535 1.00 0.00 H new ATOM 0 HA GLU C 59 68.008 4.894 10.222 1.00 0.00 H new ATOM 0 HB2 GLU C 59 67.534 7.434 10.636 1.00 0.00 H new ATOM 0 HB3 GLU C 59 65.991 7.179 9.845 1.00 0.00 H new ATOM 0 HG2 GLU C 59 65.177 5.780 11.564 1.00 0.00 H new ATOM 0 HG3 GLU C 59 66.781 5.280 12.064 1.00 0.00 H new ATOM 918 N MET C 60 65.547 5.169 8.062 1.00 0.00 N ATOM 919 CA MET C 60 64.461 4.360 7.438 1.00 0.00 C ATOM 920 C MET C 60 65.013 3.007 6.981 1.00 0.00 C ATOM 921 O MET C 60 64.335 2.000 7.029 1.00 0.00 O ATOM 922 CB MET C 60 63.996 5.185 6.237 1.00 0.00 C ATOM 923 CG MET C 60 63.193 6.392 6.726 1.00 0.00 C ATOM 924 SD MET C 60 61.695 6.565 5.725 1.00 0.00 S ATOM 925 CE MET C 60 62.435 7.508 4.370 1.00 0.00 C ATOM 0 H MET C 60 65.654 6.112 7.689 1.00 0.00 H new ATOM 0 HA MET C 60 63.645 4.154 8.130 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.856 5.518 5.657 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.384 4.571 5.576 1.00 0.00 H new ATOM 0 HG2 MET C 60 62.929 6.266 7.776 1.00 0.00 H new ATOM 0 HG3 MET C 60 63.797 7.297 6.656 1.00 0.00 H new ATOM 0 HE1 MET C 60 61.704 8.214 3.976 1.00 0.00 H new ATOM 0 HE2 MET C 60 63.304 8.054 4.738 1.00 0.00 H new ATOM 0 HE3 MET C 60 62.744 6.826 3.578 1.00 0.00 H new ATOM 935 N ILE C 61 66.240 2.979 6.540 1.00 0.00 N ATOM 936 CA ILE C 61 66.841 1.694 6.081 1.00 0.00 C ATOM 937 C ILE C 61 67.298 0.866 7.287 1.00 0.00 C ATOM 938 O ILE C 61 67.293 -0.348 7.257 1.00 0.00 O ATOM 939 CB ILE C 61 68.036 2.107 5.217 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.540 2.502 3.823 1.00 0.00 C ATOM 941 CG2 ILE C 61 69.017 0.940 5.092 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.320 4.014 3.768 1.00 0.00 C ATOM 0 H ILE C 61 66.854 3.791 6.477 1.00 0.00 H new ATOM 0 HA ILE C 61 66.135 1.076 5.526 1.00 0.00 H new ATOM 0 HB ILE C 61 68.541 2.952 5.684 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.267 2.202 3.068 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.611 1.980 3.595 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.864 1.241 4.476 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.372 0.655 6.083 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.515 0.091 4.628 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.967 4.294 2.776 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.577 4.301 4.512 1.00 0.00 H new ATOM 0 HD13 ILE C 61 68.259 4.526 3.977 1.00 0.00 H new ATOM 954 N ASP C 62 67.691 1.517 8.348 1.00 0.00 N ATOM 955 CA ASP C 62 68.149 0.770 9.555 1.00 0.00 C ATOM 956 C ASP C 62 66.948 0.169 10.292 1.00 0.00 C ATOM 957 O ASP C 62 67.073 -0.797 11.018 1.00 0.00 O ATOM 958 CB ASP C 62 68.843 1.815 10.428 1.00 0.00 C ATOM 959 CG ASP C 62 70.320 1.449 10.586 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.799 0.650 9.799 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.947 1.976 11.491 1.00 0.00 O ATOM 0 H ASP C 62 67.715 2.533 8.432 1.00 0.00 H new ATOM 0 HA ASP C 62 68.813 -0.056 9.302 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.748 2.802 9.976 1.00 0.00 H new ATOM 0 HB3 ASP C 62 68.363 1.864 11.405 1.00 0.00 H new ATOM 966 N GLU C 63 65.786 0.735 10.116 1.00 0.00 N ATOM 967 CA GLU C 63 64.582 0.196 10.809 1.00 0.00 C ATOM 968 C GLU C 63 64.168 -1.143 10.190 1.00 0.00 C ATOM 969 O GLU C 63 63.246 -1.789 10.646 1.00 0.00 O ATOM 970 CB GLU C 63 63.496 1.250 10.591 1.00 0.00 C ATOM 971 CG GLU C 63 63.601 2.326 11.674 1.00 0.00 C ATOM 972 CD GLU C 63 62.660 1.983 12.830 1.00 0.00 C ATOM 973 OE1 GLU C 63 61.542 1.575 12.558 1.00 0.00 O ATOM 974 OE2 GLU C 63 63.073 2.132 13.969 1.00 0.00 O ATOM 0 H GLU C 63 65.618 1.547 9.522 1.00 0.00 H new ATOM 0 HA GLU C 63 64.763 0.011 11.868 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.605 1.701 9.605 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.511 0.784 10.621 1.00 0.00 H new ATOM 0 HG2 GLU C 63 64.627 2.394 12.035 1.00 0.00 H new ATOM 0 HG3 GLU C 63 63.344 3.300 11.259 1.00 0.00 H new ATOM 981 N VAL C 64 64.844 -1.564 9.155 1.00 0.00 N ATOM 982 CA VAL C 64 64.489 -2.861 8.509 1.00 0.00 C ATOM 983 C VAL C 64 65.743 -3.534 7.945 1.00 0.00 C ATOM 984 O VAL C 64 65.696 -4.216 6.940 1.00 0.00 O ATOM 985 CB VAL C 64 63.524 -2.495 7.382 1.00 0.00 C ATOM 986 CG1 VAL C 64 62.158 -2.145 7.974 1.00 0.00 C ATOM 987 CG2 VAL C 64 64.072 -1.288 6.617 1.00 0.00 C ATOM 0 H VAL C 64 65.626 -1.067 8.729 1.00 0.00 H new ATOM 0 HA VAL C 64 64.043 -3.562 9.214 1.00 0.00 H new ATOM 0 HB VAL C 64 63.419 -3.341 6.703 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.469 -1.884 7.170 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.768 -3.003 8.522 1.00 0.00 H new ATOM 0 HG13 VAL C 64 62.262 -1.298 8.653 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.385 -1.025 5.812 1.00 0.00 H new ATOM 0 HG22 VAL C 64 64.175 -0.442 7.297 1.00 0.00 H new ATOM 0 HG23 VAL C 64 65.046 -1.536 6.196 1.00 0.00 H new ATOM 997 N ASP C 65 66.866 -3.346 8.584 1.00 0.00 N ATOM 998 CA ASP C 65 68.124 -3.973 8.087 1.00 0.00 C ATOM 999 C ASP C 65 68.674 -4.948 9.131 1.00 0.00 C ATOM 1000 O ASP C 65 68.770 -4.631 10.300 1.00 0.00 O ATOM 1001 CB ASP C 65 69.089 -2.804 7.878 1.00 0.00 C ATOM 1002 CG ASP C 65 70.498 -3.343 7.617 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.685 -3.990 6.600 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.366 -3.097 8.438 1.00 0.00 O ATOM 0 H ASP C 65 66.966 -2.785 9.430 1.00 0.00 H new ATOM 0 HA ASP C 65 67.972 -4.544 7.171 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.760 -2.194 7.037 1.00 0.00 H new ATOM 0 HB3 ASP C 65 69.092 -2.160 8.757 1.00 0.00 H new ATOM 1009 N GLU C 66 69.033 -6.134 8.721 1.00 0.00 N ATOM 1010 CA GLU C 66 69.571 -7.127 9.696 1.00 0.00 C ATOM 1011 C GLU C 66 70.904 -7.693 9.200 1.00 0.00 C ATOM 1012 O GLU C 66 71.300 -8.781 9.566 1.00 0.00 O ATOM 1013 CB GLU C 66 68.514 -8.229 9.760 1.00 0.00 C ATOM 1014 CG GLU C 66 67.728 -8.111 11.066 1.00 0.00 C ATOM 1015 CD GLU C 66 68.445 -8.896 12.166 1.00 0.00 C ATOM 1016 OE1 GLU C 66 69.606 -8.612 12.409 1.00 0.00 O ATOM 1017 OE2 GLU C 66 67.820 -9.768 12.747 1.00 0.00 O ATOM 0 H GLU C 66 68.978 -6.458 7.756 1.00 0.00 H new ATOM 0 HA GLU C 66 69.760 -6.683 10.673 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.838 -8.148 8.909 1.00 0.00 H new ATOM 0 HB3 GLU C 66 68.990 -9.208 9.698 1.00 0.00 H new ATOM 0 HG2 GLU C 66 67.635 -7.064 11.354 1.00 0.00 H new ATOM 0 HG3 GLU C 66 66.717 -8.495 10.930 1.00 0.00 H new ATOM 1024 N ASP C 67 71.599 -6.966 8.368 1.00 0.00 N ATOM 1025 CA ASP C 67 72.903 -7.470 7.851 1.00 0.00 C ATOM 1026 C ASP C 67 73.967 -6.370 7.913 1.00 0.00 C ATOM 1027 O ASP C 67 75.098 -6.565 7.519 1.00 0.00 O ATOM 1028 CB ASP C 67 72.627 -7.864 6.399 1.00 0.00 C ATOM 1029 CG ASP C 67 72.053 -6.662 5.644 1.00 0.00 C ATOM 1030 OD1 ASP C 67 72.465 -5.551 5.938 1.00 0.00 O ATOM 1031 OD2 ASP C 67 71.212 -6.872 4.786 1.00 0.00 O ATOM 0 H ASP C 67 71.321 -6.047 8.025 1.00 0.00 H new ATOM 0 HA ASP C 67 73.281 -8.306 8.439 1.00 0.00 H new ATOM 0 HB2 ASP C 67 73.547 -8.201 5.921 1.00 0.00 H new ATOM 0 HB3 ASP C 67 71.926 -8.698 6.364 1.00 0.00 H new ATOM 1036 N GLY C 68 73.613 -5.214 8.407 1.00 0.00 N ATOM 1037 CA GLY C 68 74.608 -4.107 8.490 1.00 0.00 C ATOM 1038 C GLY C 68 75.145 -3.795 7.092 1.00 0.00 C ATOM 1039 O GLY C 68 76.334 -3.660 6.888 1.00 0.00 O ATOM 0 H GLY C 68 72.681 -4.989 8.755 1.00 0.00 H new ATOM 0 HA2 GLY C 68 74.144 -3.219 8.919 1.00 0.00 H new ATOM 0 HA3 GLY C 68 75.427 -4.390 9.151 1.00 0.00 H new ATOM 1043 N SER C 69 74.275 -3.681 6.125 1.00 0.00 N ATOM 1044 CA SER C 69 74.737 -3.380 4.739 1.00 0.00 C ATOM 1045 C SER C 69 74.443 -1.919 4.387 1.00 0.00 C ATOM 1046 O SER C 69 74.984 -1.376 3.443 1.00 0.00 O ATOM 1047 CB SER C 69 73.936 -4.321 3.841 1.00 0.00 C ATOM 1048 OG SER C 69 72.566 -3.940 3.865 1.00 0.00 O ATOM 0 H SER C 69 73.266 -3.783 6.234 1.00 0.00 H new ATOM 0 HA SER C 69 75.811 -3.523 4.622 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.318 -4.282 2.821 1.00 0.00 H new ATOM 0 HB3 SER C 69 74.045 -5.350 4.183 1.00 0.00 H new ATOM 0 HG SER C 69 72.128 -4.344 4.643 1.00 0.00 H new ATOM 1054 N GLY C 70 73.589 -1.277 5.139 1.00 0.00 N ATOM 1055 CA GLY C 70 73.264 0.148 4.847 1.00 0.00 C ATOM 1056 C GLY C 70 72.341 0.227 3.628 1.00 0.00 C ATOM 1057 O GLY C 70 72.004 1.299 3.164 1.00 0.00 O ATOM 0 H GLY C 70 73.103 -1.678 5.942 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.782 0.605 5.711 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.180 0.709 4.659 1.00 0.00 H new ATOM 1061 N THR C 71 71.928 -0.895 3.106 1.00 0.00 N ATOM 1062 CA THR C 71 71.026 -0.876 1.919 1.00 0.00 C ATOM 1063 C THR C 71 69.823 -1.794 2.155 1.00 0.00 C ATOM 1064 O THR C 71 69.882 -2.721 2.938 1.00 0.00 O ATOM 1065 CB THR C 71 71.881 -1.396 0.762 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.219 -2.756 0.999 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.158 -0.561 0.656 1.00 0.00 C ATOM 0 H THR C 71 72.175 -1.823 3.449 1.00 0.00 H new ATOM 0 HA THR C 71 70.630 0.119 1.716 1.00 0.00 H new ATOM 0 HB THR C 71 71.320 -1.319 -0.170 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.247 -2.923 1.964 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.767 -0.931 -0.168 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.897 0.482 0.474 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.721 -0.637 1.586 1.00 0.00 H new ATOM 1075 N VAL C 72 68.732 -1.541 1.486 1.00 0.00 N ATOM 1076 CA VAL C 72 67.526 -2.398 1.675 1.00 0.00 C ATOM 1077 C VAL C 72 67.291 -3.268 0.437 1.00 0.00 C ATOM 1078 O VAL C 72 67.642 -2.902 -0.667 1.00 0.00 O ATOM 1079 CB VAL C 72 66.370 -1.416 1.867 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.040 -2.150 1.685 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.435 -0.823 3.274 1.00 0.00 C ATOM 0 H VAL C 72 68.623 -0.779 0.817 1.00 0.00 H new ATOM 0 HA VAL C 72 67.632 -3.076 2.522 1.00 0.00 H new ATOM 0 HB VAL C 72 66.447 -0.616 1.130 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.216 -1.450 1.822 1.00 0.00 H new ATOM 0 HG12 VAL C 72 64.993 -2.574 0.682 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.962 -2.950 2.421 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.611 -0.123 3.412 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.358 -1.623 4.010 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.382 -0.300 3.405 1.00 0.00 H new ATOM 1091 N ASP C 73 66.696 -4.415 0.614 1.00 0.00 N ATOM 1092 CA ASP C 73 66.433 -5.309 -0.550 1.00 0.00 C ATOM 1093 C ASP C 73 64.952 -5.693 -0.590 1.00 0.00 C ATOM 1094 O ASP C 73 64.235 -5.540 0.379 1.00 0.00 O ATOM 1095 CB ASP C 73 67.302 -6.544 -0.306 1.00 0.00 C ATOM 1096 CG ASP C 73 68.627 -6.393 -1.055 1.00 0.00 C ATOM 1097 OD1 ASP C 73 68.586 -6.108 -2.241 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.661 -6.565 -0.431 1.00 0.00 O ATOM 0 H ASP C 73 66.380 -4.773 1.515 1.00 0.00 H new ATOM 0 HA ASP C 73 66.665 -4.831 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.487 -6.666 0.761 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.782 -7.440 -0.644 1.00 0.00 H new ATOM 1103 N PHE C 74 64.488 -6.191 -1.702 1.00 0.00 N ATOM 1104 CA PHE C 74 63.053 -6.583 -1.800 1.00 0.00 C ATOM 1105 C PHE C 74 62.635 -7.368 -0.553 1.00 0.00 C ATOM 1106 O PHE C 74 61.476 -7.406 -0.191 1.00 0.00 O ATOM 1107 CB PHE C 74 62.970 -7.467 -3.044 1.00 0.00 C ATOM 1108 CG PHE C 74 61.522 -7.754 -3.363 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.630 -6.696 -3.580 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.071 -9.077 -3.443 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.288 -6.962 -3.877 1.00 0.00 C ATOM 1112 CE2 PHE C 74 59.729 -9.342 -3.739 1.00 0.00 C ATOM 1113 CZ PHE C 74 58.838 -8.285 -3.956 1.00 0.00 C ATOM 0 H PHE C 74 65.039 -6.344 -2.547 1.00 0.00 H new ATOM 0 HA PHE C 74 62.391 -5.720 -1.869 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.448 -6.970 -3.888 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.508 -8.400 -2.877 1.00 0.00 H new ATOM 0 HD1 PHE C 74 60.977 -5.675 -3.518 1.00 0.00 H new ATOM 0 HD2 PHE C 74 61.759 -9.893 -3.276 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.600 -6.147 -4.045 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.381 -10.363 -3.800 1.00 0.00 H new ATOM 0 HZ PHE C 74 57.803 -8.490 -4.185 1.00 0.00 H new ATOM 1123 N ASP C 75 63.572 -7.995 0.105 1.00 0.00 N ATOM 1124 CA ASP C 75 63.230 -8.778 1.326 1.00 0.00 C ATOM 1125 C ASP C 75 62.963 -7.835 2.505 1.00 0.00 C ATOM 1126 O ASP C 75 62.010 -8.002 3.240 1.00 0.00 O ATOM 1127 CB ASP C 75 64.462 -9.640 1.601 1.00 0.00 C ATOM 1128 CG ASP C 75 64.307 -10.335 2.955 1.00 0.00 C ATOM 1129 OD1 ASP C 75 64.154 -9.635 3.942 1.00 0.00 O ATOM 1130 OD2 ASP C 75 64.343 -11.554 2.981 1.00 0.00 O ATOM 0 H ASP C 75 64.559 -7.999 -0.150 1.00 0.00 H new ATOM 0 HA ASP C 75 62.331 -9.380 1.191 1.00 0.00 H new ATOM 0 HB2 ASP C 75 64.584 -10.382 0.811 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.360 -9.022 1.598 1.00 0.00 H new ATOM 1135 N GLU C 76 63.798 -6.848 2.692 1.00 0.00 N ATOM 1136 CA GLU C 76 63.589 -5.901 3.826 1.00 0.00 C ATOM 1137 C GLU C 76 62.583 -4.814 3.437 1.00 0.00 C ATOM 1138 O GLU C 76 61.809 -4.351 4.250 1.00 0.00 O ATOM 1139 CB GLU C 76 64.965 -5.283 4.085 1.00 0.00 C ATOM 1140 CG GLU C 76 65.927 -6.360 4.589 1.00 0.00 C ATOM 1141 CD GLU C 76 67.360 -5.827 4.536 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.610 -4.932 3.745 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.184 -6.322 5.287 1.00 0.00 O ATOM 0 H GLU C 76 64.614 -6.657 2.110 1.00 0.00 H new ATOM 0 HA GLU C 76 63.190 -6.401 4.708 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.352 -4.836 3.169 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.882 -4.483 4.820 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.670 -6.644 5.610 1.00 0.00 H new ATOM 0 HG3 GLU C 76 65.838 -7.258 3.977 1.00 0.00 H new ATOM 1150 N PHE C 77 62.591 -4.400 2.199 1.00 0.00 N ATOM 1151 CA PHE C 77 61.639 -3.339 1.758 1.00 0.00 C ATOM 1152 C PHE C 77 60.195 -3.754 2.052 1.00 0.00 C ATOM 1153 O PHE C 77 59.321 -2.925 2.207 1.00 0.00 O ATOM 1154 CB PHE C 77 61.863 -3.213 0.250 1.00 0.00 C ATOM 1155 CG PHE C 77 60.729 -2.429 -0.366 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.663 -1.042 -0.196 1.00 0.00 C ATOM 1157 CD2 PHE C 77 59.741 -3.091 -1.107 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.612 -0.315 -0.767 1.00 0.00 C ATOM 1159 CE2 PHE C 77 58.690 -2.364 -1.678 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.624 -0.976 -1.508 1.00 0.00 C ATOM 0 H PHE C 77 63.216 -4.751 1.473 1.00 0.00 H new ATOM 0 HA PHE C 77 61.805 -2.397 2.280 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.812 -2.715 0.053 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.923 -4.203 -0.203 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.424 -0.532 0.376 1.00 0.00 H new ATOM 0 HD2 PHE C 77 59.790 -4.162 -1.238 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.563 0.756 -0.636 1.00 0.00 H new ATOM 0 HE2 PHE C 77 57.929 -2.874 -2.250 1.00 0.00 H new ATOM 0 HZ PHE C 77 57.812 -0.415 -1.948 1.00 0.00 H new ATOM 1170 N LEU C 78 59.936 -5.031 2.125 1.00 0.00 N ATOM 1171 CA LEU C 78 58.545 -5.494 2.405 1.00 0.00 C ATOM 1172 C LEU C 78 58.199 -5.291 3.883 1.00 0.00 C ATOM 1173 O LEU C 78 57.164 -4.751 4.219 1.00 0.00 O ATOM 1174 CB LEU C 78 58.550 -6.983 2.059 1.00 0.00 C ATOM 1175 CG LEU C 78 58.162 -7.171 0.591 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.179 -8.661 0.246 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.756 -6.612 0.360 1.00 0.00 C ATOM 0 H LEU C 78 60.625 -5.773 2.003 1.00 0.00 H new ATOM 0 HA LEU C 78 57.804 -4.939 1.829 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.538 -7.406 2.241 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.851 -7.518 2.702 1.00 0.00 H new ATOM 0 HG LEU C 78 58.873 -6.642 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU C 78 57.903 -8.796 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.179 -9.061 0.411 1.00 0.00 H new ATOM 0 HD13 LEU C 78 57.467 -9.189 0.880 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.479 -6.745 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.045 -7.141 0.994 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.742 -5.550 0.607 1.00 0.00 H new ATOM 1189 N VAL C 79 59.055 -5.726 4.768 1.00 0.00 N ATOM 1190 CA VAL C 79 58.774 -5.567 6.225 1.00 0.00 C ATOM 1191 C VAL C 79 58.559 -4.091 6.578 1.00 0.00 C ATOM 1192 O VAL C 79 57.718 -3.754 7.387 1.00 0.00 O ATOM 1193 CB VAL C 79 60.019 -6.109 6.928 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.862 -5.953 8.441 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.192 -7.591 6.586 1.00 0.00 C ATOM 0 H VAL C 79 59.938 -6.185 4.545 1.00 0.00 H new ATOM 0 HA VAL C 79 57.869 -6.094 6.526 1.00 0.00 H new ATOM 0 HB VAL C 79 60.894 -5.552 6.594 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.750 -6.340 8.941 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.737 -4.898 8.687 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.986 -6.509 8.775 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.079 -7.979 7.087 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.315 -8.146 6.920 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.305 -7.705 5.508 1.00 0.00 H new ATOM 1205 N MET C 80 59.315 -3.210 5.984 1.00 0.00 N ATOM 1206 CA MET C 80 59.155 -1.758 6.294 1.00 0.00 C ATOM 1207 C MET C 80 57.699 -1.323 6.096 1.00 0.00 C ATOM 1208 O MET C 80 57.182 -0.501 6.826 1.00 0.00 O ATOM 1209 CB MET C 80 60.069 -1.038 5.303 1.00 0.00 C ATOM 1210 CG MET C 80 60.715 0.166 5.990 1.00 0.00 C ATOM 1211 SD MET C 80 62.135 0.727 5.018 1.00 0.00 S ATOM 1212 CE MET C 80 61.253 0.985 3.459 1.00 0.00 C ATOM 0 H MET C 80 60.037 -3.430 5.298 1.00 0.00 H new ATOM 0 HA MET C 80 59.412 -1.530 7.328 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.838 -1.719 4.940 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.497 -0.711 4.435 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.989 0.973 6.092 1.00 0.00 H new ATOM 0 HG3 MET C 80 61.034 -0.104 6.997 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.776 1.734 2.865 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.211 0.047 2.905 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.240 1.329 3.667 1.00 0.00 H new ATOM 1222 N MET C 81 57.035 -1.863 5.111 1.00 0.00 N ATOM 1223 CA MET C 81 55.616 -1.472 4.867 1.00 0.00 C ATOM 1224 C MET C 81 54.685 -2.199 5.842 1.00 0.00 C ATOM 1225 O MET C 81 53.799 -1.607 6.426 1.00 0.00 O ATOM 1226 CB MET C 81 55.331 -1.902 3.428 1.00 0.00 C ATOM 1227 CG MET C 81 56.262 -1.148 2.477 1.00 0.00 C ATOM 1228 SD MET C 81 55.279 -0.111 1.367 1.00 0.00 S ATOM 1229 CE MET C 81 56.415 1.296 1.306 1.00 0.00 C ATOM 0 H MET C 81 57.412 -2.557 4.465 1.00 0.00 H new ATOM 0 HA MET C 81 55.452 -0.405 5.015 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.478 -2.977 3.322 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.291 -1.696 3.175 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.959 -0.532 3.045 1.00 0.00 H new ATOM 0 HG3 MET C 81 56.859 -1.854 1.899 1.00 0.00 H new ATOM 0 HE1 MET C 81 55.999 2.072 0.663 1.00 0.00 H new ATOM 0 HE2 MET C 81 56.555 1.694 2.311 1.00 0.00 H new ATOM 0 HE3 MET C 81 57.376 0.971 0.908 1.00 0.00 H new ATOM 1239 N VAL C 82 54.876 -3.477 6.020 1.00 0.00 N ATOM 1240 CA VAL C 82 53.999 -4.239 6.957 1.00 0.00 C ATOM 1241 C VAL C 82 53.766 -3.436 8.239 1.00 0.00 C ATOM 1242 O VAL C 82 52.661 -3.344 8.735 1.00 0.00 O ATOM 1243 CB VAL C 82 54.767 -5.524 7.263 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.889 -6.461 8.093 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.149 -6.213 5.951 1.00 0.00 C ATOM 0 H VAL C 82 55.600 -4.027 5.558 1.00 0.00 H new ATOM 0 HA VAL C 82 53.018 -4.442 6.528 1.00 0.00 H new ATOM 0 HB VAL C 82 55.669 -5.282 7.824 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.438 -7.377 8.310 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.616 -5.971 9.028 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.986 -6.704 7.534 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.697 -7.130 6.168 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.246 -6.454 5.390 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.777 -5.547 5.359 1.00 0.00 H new ATOM 1255 N ARG C 83 54.803 -2.859 8.781 1.00 0.00 N ATOM 1256 CA ARG C 83 54.648 -2.068 10.035 1.00 0.00 C ATOM 1257 C ARG C 83 53.545 -1.017 9.871 1.00 0.00 C ATOM 1258 O ARG C 83 52.620 -0.948 10.656 1.00 0.00 O ATOM 1259 CB ARG C 83 56.003 -1.393 10.246 1.00 0.00 C ATOM 1260 CG ARG C 83 57.072 -2.460 10.485 1.00 0.00 C ATOM 1261 CD ARG C 83 58.433 -1.786 10.665 1.00 0.00 C ATOM 1262 NE ARG C 83 58.815 -2.061 12.077 1.00 0.00 N ATOM 1263 CZ ARG C 83 59.861 -1.479 12.593 1.00 0.00 C ATOM 1264 NH1 ARG C 83 61.053 -1.770 12.149 1.00 0.00 N ATOM 1265 NH2 ARG C 83 59.717 -0.605 13.552 1.00 0.00 N ATOM 0 H ARG C 83 55.752 -2.901 8.409 1.00 0.00 H new ATOM 0 HA ARG C 83 54.365 -2.692 10.882 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.262 -0.792 9.374 1.00 0.00 H new ATOM 0 HB3 ARG C 83 55.955 -0.714 11.098 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.825 -3.046 11.370 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.105 -3.152 9.643 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.169 -2.191 9.971 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.371 -0.715 10.474 1.00 0.00 H new ATOM 0 HE ARG C 83 58.259 -2.704 12.640 1.00 0.00 H new ATOM 0 HH11 ARG C 83 61.165 -2.452 11.399 1.00 0.00 H new ATOM 0 HH12 ARG C 83 61.872 -1.315 12.552 1.00 0.00 H new ATOM 0 HH21 ARG C 83 58.785 -0.377 13.898 1.00 0.00 H new ATOM 0 HH22 ARG C 83 60.536 -0.150 13.955 1.00 0.00 H new ATOM 1279 N CYS C 84 53.638 -0.194 8.863 1.00 0.00 N ATOM 1280 CA CYS C 84 52.595 0.853 8.659 1.00 0.00 C ATOM 1281 C CYS C 84 51.616 0.430 7.560 1.00 0.00 C ATOM 1282 O CYS C 84 51.374 1.159 6.618 1.00 0.00 O ATOM 1283 CB CYS C 84 53.367 2.103 8.237 1.00 0.00 C ATOM 1284 SG CYS C 84 52.257 3.533 8.255 1.00 0.00 S ATOM 0 H CYS C 84 54.389 -0.200 8.173 1.00 0.00 H new ATOM 0 HA CYS C 84 52.002 1.021 9.558 1.00 0.00 H new ATOM 0 HB2 CYS C 84 54.205 2.271 8.913 1.00 0.00 H new ATOM 0 HB3 CYS C 84 53.785 1.966 7.240 1.00 0.00 H new ATOM 0 HG CYS C 84 51.204 3.274 7.537 1.00 0.00 H new ATOM 1290 N MET C 85 51.049 -0.740 7.673 1.00 0.00 N ATOM 1291 CA MET C 85 50.084 -1.199 6.634 1.00 0.00 C ATOM 1292 C MET C 85 48.645 -0.991 7.120 1.00 0.00 C ATOM 1293 O MET C 85 47.695 -1.260 6.411 1.00 0.00 O ATOM 1294 CB MET C 85 50.384 -2.689 6.439 1.00 0.00 C ATOM 1295 CG MET C 85 49.765 -3.499 7.584 1.00 0.00 C ATOM 1296 SD MET C 85 50.218 -5.243 7.406 1.00 0.00 S ATOM 1297 CE MET C 85 49.442 -5.517 5.795 1.00 0.00 C ATOM 0 H MET C 85 51.211 -1.396 8.437 1.00 0.00 H new ATOM 0 HA MET C 85 50.184 -0.643 5.702 1.00 0.00 H new ATOM 0 HB2 MET C 85 49.983 -3.028 5.484 1.00 0.00 H new ATOM 0 HB3 MET C 85 51.461 -2.851 6.408 1.00 0.00 H new ATOM 0 HG2 MET C 85 50.115 -3.118 8.543 1.00 0.00 H new ATOM 0 HG3 MET C 85 48.680 -3.391 7.574 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.106 -6.552 5.724 1.00 0.00 H new ATOM 0 HE2 MET C 85 48.587 -4.850 5.685 1.00 0.00 H new ATOM 0 HE3 MET C 85 50.164 -5.315 5.004 1.00 0.00 H new ATOM 1411 N SER I 3 54.796 6.209 3.756 1.00 0.00 N ATOM 1412 CA SER I 3 53.415 6.163 3.194 1.00 0.00 C ATOM 1413 C SER I 3 53.245 4.923 2.313 1.00 0.00 C ATOM 1414 O SER I 3 54.126 4.559 1.559 1.00 0.00 O ATOM 1415 CB SER I 3 53.286 7.435 2.360 1.00 0.00 C ATOM 1416 OG SER I 3 54.450 7.593 1.560 1.00 0.00 O ATOM 0 HA SER I 3 52.653 6.107 3.971 1.00 0.00 H new ATOM 0 HB2 SER I 3 52.400 7.380 1.727 1.00 0.00 H new ATOM 0 HB3 SER I 3 53.159 8.299 3.012 1.00 0.00 H new ATOM 0 HG SER I 3 55.225 7.223 2.033 1.00 0.00 H new ATOM 1422 N ALA I 4 52.119 4.269 2.403 1.00 0.00 N ATOM 1423 CA ALA I 4 51.896 3.054 1.570 1.00 0.00 C ATOM 1424 C ALA I 4 50.864 3.342 0.477 1.00 0.00 C ATOM 1425 O ALA I 4 51.118 3.148 -0.696 1.00 0.00 O ATOM 1426 CB ALA I 4 51.366 2.001 2.542 1.00 0.00 C ATOM 0 H ALA I 4 51.345 4.523 3.017 1.00 0.00 H new ATOM 0 HA ALA I 4 52.806 2.726 1.068 1.00 0.00 H new ATOM 0 HB1 ALA I 4 51.176 1.072 2.004 1.00 0.00 H new ATOM 0 HB2 ALA I 4 52.104 1.823 3.324 1.00 0.00 H new ATOM 0 HB3 ALA I 4 50.439 2.356 2.993 1.00 0.00 H new ATOM 1432 N ASP I 5 49.702 3.804 0.849 1.00 0.00 N ATOM 1433 CA ASP I 5 48.657 4.101 -0.172 1.00 0.00 C ATOM 1434 C ASP I 5 48.874 5.496 -0.766 1.00 0.00 C ATOM 1435 O ASP I 5 48.370 5.816 -1.824 1.00 0.00 O ATOM 1436 CB ASP I 5 47.328 4.037 0.585 1.00 0.00 C ATOM 1437 CG ASP I 5 47.387 4.952 1.811 1.00 0.00 C ATOM 1438 OD1 ASP I 5 48.168 5.888 1.792 1.00 0.00 O ATOM 1439 OD2 ASP I 5 46.650 4.698 2.749 1.00 0.00 O ATOM 0 H ASP I 5 49.431 3.989 1.815 1.00 0.00 H new ATOM 0 HA ASP I 5 48.684 3.397 -1.004 1.00 0.00 H new ATOM 0 HB2 ASP I 5 46.511 4.342 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.124 3.012 0.894 1.00 0.00 H new ATOM 1444 N ALA I 6 49.622 6.327 -0.095 1.00 0.00 N ATOM 1445 CA ALA I 6 49.872 7.698 -0.623 1.00 0.00 C ATOM 1446 C ALA I 6 51.016 7.670 -1.639 1.00 0.00 C ATOM 1447 O ALA I 6 51.079 8.479 -2.542 1.00 0.00 O ATOM 1448 CB ALA I 6 50.261 8.528 0.600 1.00 0.00 C ATOM 0 H ALA I 6 50.071 6.116 0.796 1.00 0.00 H new ATOM 0 HA ALA I 6 49.002 8.110 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA I 6 50.462 9.555 0.294 1.00 0.00 H new ATOM 0 HB2 ALA I 6 49.444 8.518 1.322 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.155 8.104 1.058 1.00 0.00 H new ATOM 1454 N MET I 7 51.922 6.741 -1.497 1.00 0.00 N ATOM 1455 CA MET I 7 53.061 6.658 -2.456 1.00 0.00 C ATOM 1456 C MET I 7 52.573 6.152 -3.815 1.00 0.00 C ATOM 1457 O MET I 7 53.226 6.327 -4.825 1.00 0.00 O ATOM 1458 CB MET I 7 54.034 5.658 -1.832 1.00 0.00 C ATOM 1459 CG MET I 7 55.293 5.566 -2.694 1.00 0.00 C ATOM 1460 SD MET I 7 56.078 3.953 -2.450 1.00 0.00 S ATOM 1461 CE MET I 7 57.400 4.158 -3.669 1.00 0.00 C ATOM 0 H MET I 7 51.923 6.037 -0.759 1.00 0.00 H new ATOM 0 HA MET I 7 53.527 7.629 -2.626 1.00 0.00 H new ATOM 0 HB2 MET I 7 54.295 5.971 -0.821 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.563 4.678 -1.751 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.037 5.702 -3.745 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.987 6.364 -2.429 1.00 0.00 H new ATOM 0 HE1 MET I 7 58.304 3.663 -3.313 1.00 0.00 H new ATOM 0 HE2 MET I 7 57.093 3.715 -4.616 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.600 5.220 -3.813 1.00 0.00 H new ATOM 1471 N MET I 8 51.429 5.526 -3.849 1.00 0.00 N ATOM 1472 CA MET I 8 50.900 5.010 -5.144 1.00 0.00 C ATOM 1473 C MET I 8 50.158 6.120 -5.891 1.00 0.00 C ATOM 1474 O MET I 8 49.895 6.020 -7.074 1.00 0.00 O ATOM 1475 CB MET I 8 49.935 3.886 -4.758 1.00 0.00 C ATOM 1476 CG MET I 8 50.609 2.955 -3.749 1.00 0.00 C ATOM 1477 SD MET I 8 52.041 2.162 -4.521 1.00 0.00 S ATOM 1478 CE MET I 8 53.304 2.847 -3.420 1.00 0.00 C ATOM 0 H MET I 8 50.838 5.349 -3.037 1.00 0.00 H new ATOM 0 HA MET I 8 51.693 4.658 -5.804 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.025 4.306 -4.329 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.640 3.325 -5.645 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.922 3.519 -2.871 1.00 0.00 H new ATOM 0 HG3 MET I 8 49.902 2.199 -3.407 1.00 0.00 H new ATOM 0 HE1 MET I 8 54.118 2.130 -3.309 1.00 0.00 H new ATOM 0 HE2 MET I 8 53.692 3.773 -3.843 1.00 0.00 H new ATOM 0 HE3 MET I 8 52.864 3.051 -2.444 1.00 0.00 H new ATOM 1488 N GLN I 9 49.817 7.180 -5.210 1.00 0.00 N ATOM 1489 CA GLN I 9 49.090 8.297 -5.880 1.00 0.00 C ATOM 1490 C GLN I 9 50.085 9.249 -6.555 1.00 0.00 C ATOM 1491 O GLN I 9 49.838 9.758 -7.630 1.00 0.00 O ATOM 1492 CB GLN I 9 48.345 9.014 -4.754 1.00 0.00 C ATOM 1493 CG GLN I 9 47.542 7.994 -3.941 1.00 0.00 C ATOM 1494 CD GLN I 9 46.061 8.109 -4.300 1.00 0.00 C ATOM 1495 OE1 GLN I 9 45.516 9.194 -4.343 1.00 0.00 O ATOM 1496 NE2 GLN I 9 45.379 7.027 -4.560 1.00 0.00 N ATOM 0 H GLN I 9 50.010 7.321 -4.218 1.00 0.00 H new ATOM 0 HA GLN I 9 48.414 7.942 -6.657 1.00 0.00 H new ATOM 0 HB2 GLN I 9 49.053 9.533 -4.108 1.00 0.00 H new ATOM 0 HB3 GLN I 9 47.678 9.770 -5.169 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.900 6.985 -4.148 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.684 8.170 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN I 9 45.835 6.116 -4.524 1.00 0.00 H new ATOM 0 HE22 GLN I 9 44.390 7.093 -4.799 1.00 0.00 H new ATOM 1505 N ALA I 10 51.206 9.493 -5.931 1.00 0.00 N ATOM 1506 CA ALA I 10 52.211 10.413 -6.539 1.00 0.00 C ATOM 1507 C ALA I 10 52.939 9.715 -7.691 1.00 0.00 C ATOM 1508 O ALA I 10 52.967 10.199 -8.805 1.00 0.00 O ATOM 1509 CB ALA I 10 53.185 10.736 -5.407 1.00 0.00 C ATOM 0 H ALA I 10 51.469 9.096 -5.029 1.00 0.00 H new ATOM 0 HA ALA I 10 51.753 11.311 -6.952 1.00 0.00 H new ATOM 0 HB1 ALA I 10 53.958 11.411 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.646 11.213 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.646 9.815 -5.050 1.00 0.00 H new ATOM 1515 N LEU I 11 53.524 8.578 -7.433 1.00 0.00 N ATOM 1516 CA LEU I 11 54.246 7.848 -8.514 1.00 0.00 C ATOM 1517 C LEU I 11 53.725 6.412 -8.607 1.00 0.00 C ATOM 1518 O LEU I 11 52.822 6.025 -7.894 1.00 0.00 O ATOM 1519 CB LEU I 11 55.718 7.865 -8.096 1.00 0.00 C ATOM 1520 CG LEU I 11 55.884 7.123 -6.768 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.174 6.300 -6.800 1.00 0.00 C ATOM 1522 CD2 LEU I 11 55.956 8.138 -5.623 1.00 0.00 C ATOM 0 H LEU I 11 53.534 8.122 -6.520 1.00 0.00 H new ATOM 0 HA LEU I 11 54.103 8.305 -9.493 1.00 0.00 H new ATOM 0 HB2 LEU I 11 56.330 7.395 -8.866 1.00 0.00 H new ATOM 0 HB3 LEU I 11 56.066 8.893 -7.996 1.00 0.00 H new ATOM 0 HG LEU I 11 55.033 6.459 -6.614 1.00 0.00 H new ATOM 0 HD11 LEU I 11 57.292 5.772 -5.854 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.125 5.578 -7.615 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.025 6.963 -6.954 1.00 0.00 H new ATOM 0 HD21 LEU I 11 56.074 7.611 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU I 11 56.807 8.801 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU I 11 55.038 8.725 -5.599 1.00 0.00 H new ATOM 1534 N LEU I 12 54.285 5.619 -9.480 1.00 0.00 N ATOM 1535 CA LEU I 12 53.818 4.208 -9.613 1.00 0.00 C ATOM 1536 C LEU I 12 52.368 4.180 -10.104 1.00 0.00 C ATOM 1537 O LEU I 12 51.654 5.158 -10.015 1.00 0.00 O ATOM 1538 CB LEU I 12 53.913 3.611 -8.204 1.00 0.00 C ATOM 1539 CG LEU I 12 55.246 3.994 -7.554 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.107 3.928 -6.032 1.00 0.00 C ATOM 1541 CD2 LEU I 12 56.333 3.017 -8.006 1.00 0.00 C ATOM 0 H LEU I 12 55.045 5.886 -10.106 1.00 0.00 H new ATOM 0 HA LEU I 12 54.415 3.646 -10.331 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.086 3.971 -7.592 1.00 0.00 H new ATOM 0 HB3 LEU I 12 53.824 2.526 -8.254 1.00 0.00 H new ATOM 0 HG LEU I 12 55.518 5.006 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.055 4.200 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU I 12 54.331 4.622 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU I 12 54.835 2.915 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU I 12 57.282 3.289 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU I 12 56.060 2.005 -7.706 1.00 0.00 H new ATOM 0 HD23 LEU I 12 56.432 3.060 -9.091 1.00 0.00 H new