USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 695 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 81 MET CE :methyl 149:sc= -0.176 (180deg=-0.128) USER MOD Set 1.2: I 121 MET CE :methyl 152:sc= -0.239 (180deg=-1.22) USER MOD Set 2.1: C 69 SER OG : rot -100:sc= 0.543 USER MOD Set 2.2: C 71 THR OG1 : rot -170:sc= -0.576 USER MOD Set 3.1: C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ -136:sc= 0.121 (180deg=-0.343) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0484) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.101 USER MOD Single : C 16 GLN : amide:sc= -0.328 K(o=-0.33,f=-0.83) USER MOD Single : C 17 LYS NZ :NH3+ 153:sc= -0.0311 (180deg=-0.432) USER MOD Single : C 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -79:sc= 0.116 USER MOD Single : C 37 SER OG : rot 71:sc= 0.671 USER MOD Single : C 38 THR OG1 : rot -78:sc= -0.181! USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -155:sc= -0.251 (180deg=-1.25!) USER MOD Single : C 47 MET CE :methyl -129:sc= 0 (180deg=-0.189) USER MOD Single : C 50 GLN : amide:sc= -2.23! C(o=-2.2!,f=-5!) USER MOD Single : C 51 ASN : amide:sc= -1.08! C(o=-1.1!,f=-0.87!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.483 USER MOD Single : C 58 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : C 80 MET CE :methyl -160:sc= -0.024 (180deg=-0.798) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 175:sc= 0 (180deg=-0.0148) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 57.185 -13.869 22.103 1.00 0.00 N ATOM 2 CA MET C 1 56.658 -13.039 20.983 1.00 0.00 C ATOM 3 C MET C 1 56.631 -13.871 19.705 1.00 0.00 C ATOM 4 O MET C 1 56.920 -15.067 19.726 1.00 0.00 O ATOM 5 CB MET C 1 57.558 -11.816 20.791 1.00 0.00 C ATOM 6 CG MET C 1 57.483 -10.927 22.033 1.00 0.00 C ATOM 7 SD MET C 1 58.442 -9.417 21.753 1.00 0.00 S ATOM 8 CE MET C 1 58.249 -8.715 23.409 1.00 0.00 C ATOM 0 H1 MET C 1 56.600 -13.721 22.950 1.00 0.00 H new ATOM 0 H2 MET C 1 57.156 -14.873 21.834 1.00 0.00 H new ATOM 0 H3 MET C 1 58.167 -13.593 22.307 1.00 0.00 H new ATOM 0 HA MET C 1 55.646 -12.707 21.215 1.00 0.00 H new ATOM 0 HB2 MET C 1 58.587 -12.132 20.619 1.00 0.00 H new ATOM 0 HB3 MET C 1 57.245 -11.256 19.910 1.00 0.00 H new ATOM 0 HG2 MET C 1 56.445 -10.676 22.252 1.00 0.00 H new ATOM 0 HG3 MET C 1 57.871 -11.462 22.900 1.00 0.00 H new ATOM 0 HE1 MET C 1 58.773 -7.761 23.463 1.00 0.00 H new ATOM 0 HE2 MET C 1 57.190 -8.560 23.618 1.00 0.00 H new ATOM 0 HE3 MET C 1 58.668 -9.401 24.146 1.00 0.00 H new ATOM 20 N ASP C 2 56.282 -13.230 18.595 1.00 0.00 N ATOM 21 CA ASP C 2 56.221 -13.922 17.313 1.00 0.00 C ATOM 22 C ASP C 2 56.620 -12.984 16.178 1.00 0.00 C ATOM 23 O ASP C 2 57.196 -11.922 16.412 1.00 0.00 O ATOM 24 CB ASP C 2 54.804 -14.446 17.069 1.00 0.00 C ATOM 25 CG ASP C 2 54.429 -15.456 18.148 1.00 0.00 C ATOM 26 OD1 ASP C 2 55.321 -16.132 18.635 1.00 0.00 O ATOM 27 OD2 ASP C 2 53.256 -15.539 18.472 1.00 0.00 O ATOM 0 H ASP C 2 56.039 -12.240 18.556 1.00 0.00 H new ATOM 0 HA ASP C 2 56.919 -14.759 17.340 1.00 0.00 H new ATOM 0 HB2 ASP C 2 54.095 -13.618 17.072 1.00 0.00 H new ATOM 0 HB3 ASP C 2 54.744 -14.913 16.086 1.00 0.00 H new ATOM 32 N ASP C 3 56.310 -13.384 14.949 1.00 0.00 N ATOM 33 CA ASP C 3 56.642 -12.571 13.785 1.00 0.00 C ATOM 34 C ASP C 3 55.381 -12.204 13.011 1.00 0.00 C ATOM 35 O ASP C 3 54.957 -12.933 12.114 1.00 0.00 O ATOM 36 CB ASP C 3 57.601 -13.335 12.870 1.00 0.00 C ATOM 37 CG ASP C 3 58.609 -14.115 13.706 1.00 0.00 C ATOM 38 OD1 ASP C 3 59.143 -13.542 14.642 1.00 0.00 O ATOM 39 OD2 ASP C 3 58.834 -15.274 13.399 1.00 0.00 O ATOM 0 H ASP C 3 55.833 -14.260 14.734 1.00 0.00 H new ATOM 0 HA ASP C 3 57.122 -11.655 14.130 1.00 0.00 H new ATOM 0 HB2 ASP C 3 57.041 -14.017 12.231 1.00 0.00 H new ATOM 0 HB3 ASP C 3 58.122 -12.639 12.213 1.00 0.00 H new ATOM 44 N ILE C 4 54.785 -11.069 13.363 1.00 0.00 N ATOM 45 CA ILE C 4 53.572 -10.614 12.693 1.00 0.00 C ATOM 46 C ILE C 4 53.910 -9.962 11.357 1.00 0.00 C ATOM 47 O ILE C 4 53.029 -9.728 10.529 1.00 0.00 O ATOM 48 CB ILE C 4 52.831 -9.612 13.579 1.00 0.00 C ATOM 49 CG1 ILE C 4 51.461 -9.309 12.968 1.00 0.00 C ATOM 50 CG2 ILE C 4 53.642 -8.319 13.677 1.00 0.00 C ATOM 51 CD1 ILE C 4 50.651 -8.443 13.935 1.00 0.00 C ATOM 0 H ILE C 4 55.119 -10.451 14.103 1.00 0.00 H new ATOM 0 HA ILE C 4 52.934 -11.479 12.511 1.00 0.00 H new ATOM 0 HB ILE C 4 52.701 -10.035 14.575 1.00 0.00 H new ATOM 0 HG12 ILE C 4 51.582 -8.793 12.015 1.00 0.00 H new ATOM 0 HG13 ILE C 4 50.929 -10.238 12.762 1.00 0.00 H new ATOM 0 HG21 ILE C 4 53.113 -7.605 14.309 1.00 0.00 H new ATOM 0 HG22 ILE C 4 54.619 -8.534 14.111 1.00 0.00 H new ATOM 0 HG23 ILE C 4 53.773 -7.895 12.681 1.00 0.00 H new ATOM 0 HD11 ILE C 4 49.675 -8.227 13.500 1.00 0.00 H new ATOM 0 HD12 ILE C 4 50.519 -8.976 14.877 1.00 0.00 H new ATOM 0 HD13 ILE C 4 51.181 -7.509 14.118 1.00 0.00 H new ATOM 63 N TYR C 5 55.191 -9.671 11.153 1.00 0.00 N ATOM 64 CA TYR C 5 55.634 -9.046 9.912 1.00 0.00 C ATOM 65 C TYR C 5 56.216 -10.090 8.965 1.00 0.00 C ATOM 66 O TYR C 5 55.859 -10.141 7.788 1.00 0.00 O ATOM 67 CB TYR C 5 56.690 -7.980 10.213 1.00 0.00 C ATOM 68 CG TYR C 5 57.358 -8.291 11.530 1.00 0.00 C ATOM 69 CD1 TYR C 5 58.455 -9.160 11.571 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.880 -7.710 12.711 1.00 0.00 C ATOM 71 CE1 TYR C 5 59.074 -9.448 12.793 1.00 0.00 C ATOM 72 CE2 TYR C 5 57.500 -7.998 13.933 1.00 0.00 C ATOM 73 CZ TYR C 5 58.597 -8.867 13.974 1.00 0.00 C ATOM 74 OH TYR C 5 59.207 -9.151 15.179 1.00 0.00 O ATOM 0 H TYR C 5 55.935 -9.856 11.825 1.00 0.00 H new ATOM 0 HA TYR C 5 54.773 -8.579 9.434 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.432 -7.952 9.415 1.00 0.00 H new ATOM 0 HB3 TYR C 5 56.226 -6.994 10.252 1.00 0.00 H new ATOM 0 HD1 TYR C 5 58.824 -9.608 10.660 1.00 0.00 H new ATOM 0 HD2 TYR C 5 56.033 -7.040 12.679 1.00 0.00 H new ATOM 0 HE1 TYR C 5 59.920 -10.119 12.825 1.00 0.00 H new ATOM 0 HE2 TYR C 5 57.132 -7.550 14.844 1.00 0.00 H new ATOM 0 HH TYR C 5 58.753 -8.665 15.898 1.00 0.00 H new ATOM 84 N LYS C 6 57.115 -10.919 9.486 1.00 0.00 N ATOM 85 CA LYS C 6 57.740 -11.958 8.676 1.00 0.00 C ATOM 86 C LYS C 6 56.700 -12.970 8.206 1.00 0.00 C ATOM 87 O LYS C 6 56.870 -13.614 7.171 1.00 0.00 O ATOM 88 CB LYS C 6 58.820 -12.674 9.489 1.00 0.00 C ATOM 89 CG LYS C 6 59.767 -13.414 8.542 1.00 0.00 C ATOM 90 CD LYS C 6 60.789 -14.208 9.358 1.00 0.00 C ATOM 91 CE LYS C 6 61.835 -14.811 8.419 1.00 0.00 C ATOM 92 NZ LYS C 6 62.819 -13.760 8.032 1.00 0.00 N ATOM 0 H LYS C 6 57.425 -10.892 10.457 1.00 0.00 H new ATOM 0 HA LYS C 6 58.193 -11.488 7.803 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.377 -11.953 10.087 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.361 -13.377 10.184 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.201 -14.085 7.896 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.278 -12.703 7.893 1.00 0.00 H new ATOM 0 HD2 LYS C 6 61.272 -13.558 10.088 1.00 0.00 H new ATOM 0 HD3 LYS C 6 60.288 -14.998 9.917 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.346 -15.639 8.910 1.00 0.00 H new ATOM 0 HE3 LYS C 6 61.351 -15.216 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 63.047 -13.853 7.022 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 62.411 -12.820 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 63.686 -13.872 8.595 1.00 0.00 H new ATOM 106 N ALA C 7 55.623 -13.103 8.973 1.00 0.00 N ATOM 107 CA ALA C 7 54.561 -14.040 8.625 1.00 0.00 C ATOM 108 C ALA C 7 53.707 -13.483 7.490 1.00 0.00 C ATOM 109 O ALA C 7 53.400 -14.188 6.528 1.00 0.00 O ATOM 110 CB ALA C 7 53.679 -14.307 9.846 1.00 0.00 C ATOM 0 H ALA C 7 55.463 -12.578 9.833 1.00 0.00 H new ATOM 0 HA ALA C 7 55.018 -14.973 8.297 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.888 -15.008 9.578 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.285 -14.732 10.646 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.235 -13.371 10.185 1.00 0.00 H new ATOM 116 N ALA C 8 53.326 -12.216 7.609 1.00 0.00 N ATOM 117 CA ALA C 8 52.508 -11.575 6.587 1.00 0.00 C ATOM 118 C ALA C 8 53.211 -11.616 5.234 1.00 0.00 C ATOM 119 O ALA C 8 52.603 -11.955 4.218 1.00 0.00 O ATOM 120 CB ALA C 8 52.230 -10.122 6.975 1.00 0.00 C ATOM 0 H ALA C 8 53.569 -11.616 8.397 1.00 0.00 H new ATOM 0 HA ALA C 8 51.565 -12.117 6.511 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.618 -9.651 6.206 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.700 -10.095 7.927 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.173 -9.584 7.069 1.00 0.00 H new ATOM 126 N VAL C 9 54.494 -11.270 5.228 1.00 0.00 N ATOM 127 CA VAL C 9 55.270 -11.271 3.994 1.00 0.00 C ATOM 128 C VAL C 9 55.057 -12.574 3.229 1.00 0.00 C ATOM 129 O VAL C 9 54.627 -12.565 2.076 1.00 0.00 O ATOM 130 CB VAL C 9 56.756 -11.100 4.311 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.582 -11.366 3.051 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.012 -9.671 4.795 1.00 0.00 C ATOM 0 H VAL C 9 55.015 -10.987 6.058 1.00 0.00 H new ATOM 0 HA VAL C 9 54.934 -10.440 3.374 1.00 0.00 H new ATOM 0 HB VAL C 9 57.044 -11.806 5.090 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.641 -11.244 3.278 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.400 -12.383 2.705 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.294 -10.660 2.272 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.071 -9.548 5.021 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.723 -8.966 4.016 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.424 -9.480 5.693 1.00 0.00 H new ATOM 142 N GLU C 10 55.362 -13.692 3.880 1.00 0.00 N ATOM 143 CA GLU C 10 55.200 -14.998 3.251 1.00 0.00 C ATOM 144 C GLU C 10 53.741 -15.234 2.874 1.00 0.00 C ATOM 145 O GLU C 10 53.443 -15.983 1.944 1.00 0.00 O ATOM 146 CB GLU C 10 55.668 -16.099 4.205 1.00 0.00 C ATOM 147 CG GLU C 10 54.968 -15.935 5.556 1.00 0.00 C ATOM 148 CD GLU C 10 55.365 -17.073 6.490 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.100 -17.943 6.053 1.00 0.00 O ATOM 150 OE2 GLU C 10 54.929 -17.057 7.629 1.00 0.00 O ATOM 0 H GLU C 10 55.720 -13.721 4.835 1.00 0.00 H new ATOM 0 HA GLU C 10 55.805 -15.022 2.345 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.444 -17.079 3.784 1.00 0.00 H new ATOM 0 HB3 GLU C 10 56.749 -16.047 4.335 1.00 0.00 H new ATOM 0 HG2 GLU C 10 55.238 -14.977 6.001 1.00 0.00 H new ATOM 0 HG3 GLU C 10 53.887 -15.928 5.416 1.00 0.00 H new ATOM 157 N GLN C 11 52.835 -14.590 3.604 1.00 0.00 N ATOM 158 CA GLN C 11 51.409 -14.738 3.337 1.00 0.00 C ATOM 159 C GLN C 11 50.918 -13.624 2.419 1.00 0.00 C ATOM 160 O GLN C 11 49.852 -13.049 2.639 1.00 0.00 O ATOM 161 CB GLN C 11 50.626 -14.701 4.651 1.00 0.00 C ATOM 162 CG GLN C 11 49.275 -15.392 4.459 1.00 0.00 C ATOM 163 CD GLN C 11 48.401 -15.179 5.691 1.00 0.00 C ATOM 164 OE1 GLN C 11 48.147 -14.040 6.084 1.00 0.00 O ATOM 165 NE2 GLN C 11 47.923 -16.213 6.328 1.00 0.00 N ATOM 0 H GLN C 11 53.061 -13.966 4.379 1.00 0.00 H new ATOM 0 HA GLN C 11 51.248 -15.697 2.844 1.00 0.00 H new ATOM 0 HB2 GLN C 11 51.192 -15.198 5.438 1.00 0.00 H new ATOM 0 HB3 GLN C 11 50.477 -13.669 4.969 1.00 0.00 H new ATOM 0 HG2 GLN C 11 48.776 -14.994 3.576 1.00 0.00 H new ATOM 0 HG3 GLN C 11 49.423 -16.458 4.288 1.00 0.00 H new ATOM 0 HE21 GLN C 11 48.134 -17.156 6.001 1.00 0.00 H new ATOM 0 HE22 GLN C 11 47.338 -16.078 7.153 1.00 0.00 H new ATOM 174 N LEU C 12 51.702 -13.324 1.388 1.00 0.00 N ATOM 175 CA LEU C 12 51.336 -12.276 0.442 1.00 0.00 C ATOM 176 C LEU C 12 50.935 -12.882 -0.899 1.00 0.00 C ATOM 177 O LEU C 12 51.535 -13.854 -1.357 1.00 0.00 O ATOM 178 CB LEU C 12 52.513 -11.320 0.241 1.00 0.00 C ATOM 179 CG LEU C 12 52.067 -9.890 0.549 1.00 0.00 C ATOM 180 CD1 LEU C 12 52.282 -9.597 2.035 1.00 0.00 C ATOM 181 CD2 LEU C 12 52.892 -8.909 -0.287 1.00 0.00 C ATOM 0 H LEU C 12 52.588 -13.788 1.187 1.00 0.00 H new ATOM 0 HA LEU C 12 50.487 -11.726 0.848 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.340 -11.603 0.892 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.878 -11.386 -0.784 1.00 0.00 H new ATOM 0 HG LEU C 12 51.010 -9.778 0.306 1.00 0.00 H new ATOM 0 HD11 LEU C 12 51.964 -8.578 2.255 1.00 0.00 H new ATOM 0 HD12 LEU C 12 51.697 -10.296 2.632 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.339 -9.708 2.279 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.575 -7.889 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU C 12 53.948 -9.021 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU C 12 52.741 -9.117 -1.346 1.00 0.00 H new ATOM 193 N THR C 13 49.916 -12.301 -1.524 1.00 0.00 N ATOM 194 CA THR C 13 49.442 -12.792 -2.813 1.00 0.00 C ATOM 195 C THR C 13 49.971 -11.918 -3.946 1.00 0.00 C ATOM 196 O THR C 13 50.362 -10.772 -3.728 1.00 0.00 O ATOM 197 CB THR C 13 47.912 -12.796 -2.841 1.00 0.00 C ATOM 198 OG1 THR C 13 47.439 -11.461 -2.951 1.00 0.00 O ATOM 199 CG2 THR C 13 47.378 -13.424 -1.553 1.00 0.00 C ATOM 0 H THR C 13 49.406 -11.495 -1.162 1.00 0.00 H new ATOM 0 HA THR C 13 49.810 -13.809 -2.951 1.00 0.00 H new ATOM 0 HB THR C 13 47.565 -13.376 -3.696 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.459 -11.462 -2.971 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.288 -13.426 -1.574 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.742 -14.448 -1.470 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.723 -12.846 -0.696 1.00 0.00 H new ATOM 207 N GLU C 14 49.981 -12.469 -5.156 1.00 0.00 N ATOM 208 CA GLU C 14 50.465 -11.730 -6.316 1.00 0.00 C ATOM 209 C GLU C 14 49.784 -10.368 -6.406 1.00 0.00 C ATOM 210 O GLU C 14 50.286 -9.455 -7.061 1.00 0.00 O ATOM 211 CB GLU C 14 50.189 -12.526 -7.594 1.00 0.00 C ATOM 212 CG GLU C 14 50.923 -13.867 -7.529 1.00 0.00 C ATOM 213 CD GLU C 14 50.134 -14.852 -6.673 1.00 0.00 C ATOM 214 OE1 GLU C 14 49.015 -14.528 -6.312 1.00 0.00 O ATOM 215 OE2 GLU C 14 50.661 -15.915 -6.391 1.00 0.00 O ATOM 0 H GLU C 14 49.662 -13.417 -5.358 1.00 0.00 H new ATOM 0 HA GLU C 14 51.539 -11.580 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.118 -12.691 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.519 -11.961 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.053 -14.269 -8.534 1.00 0.00 H new ATOM 0 HG3 GLU C 14 51.920 -13.726 -7.111 1.00 0.00 H new ATOM 222 N GLU C 15 48.639 -10.240 -5.744 1.00 0.00 N ATOM 223 CA GLU C 15 47.898 -8.984 -5.756 1.00 0.00 C ATOM 224 C GLU C 15 48.665 -7.902 -5.002 1.00 0.00 C ATOM 225 O GLU C 15 48.687 -6.742 -5.414 1.00 0.00 O ATOM 226 CB GLU C 15 46.525 -9.181 -5.112 1.00 0.00 C ATOM 227 CG GLU C 15 45.688 -7.913 -5.293 1.00 0.00 C ATOM 228 CD GLU C 15 45.312 -7.742 -6.761 1.00 0.00 C ATOM 229 OE1 GLU C 15 45.278 -8.739 -7.464 1.00 0.00 O ATOM 230 OE2 GLU C 15 45.064 -6.617 -7.161 1.00 0.00 O ATOM 0 H GLU C 15 48.207 -10.984 -5.197 1.00 0.00 H new ATOM 0 HA GLU C 15 47.771 -8.669 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.018 -10.032 -5.566 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.638 -9.406 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU C 15 44.787 -7.972 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.250 -7.044 -4.949 1.00 0.00 H new ATOM 237 N GLN C 16 49.291 -8.289 -3.896 1.00 0.00 N ATOM 238 CA GLN C 16 50.056 -7.343 -3.092 1.00 0.00 C ATOM 239 C GLN C 16 51.472 -7.197 -3.640 1.00 0.00 C ATOM 240 O GLN C 16 51.899 -6.099 -3.999 1.00 0.00 O ATOM 241 CB GLN C 16 50.116 -7.820 -1.640 1.00 0.00 C ATOM 242 CG GLN C 16 48.727 -7.711 -1.009 1.00 0.00 C ATOM 243 CD GLN C 16 48.757 -8.252 0.417 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.612 -9.456 0.628 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.939 -7.429 1.413 1.00 0.00 N ATOM 0 H GLN C 16 49.284 -9.244 -3.538 1.00 0.00 H new ATOM 0 HA GLN C 16 49.560 -6.374 -3.135 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.466 -8.852 -1.599 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.831 -7.219 -1.078 1.00 0.00 H new ATOM 0 HG2 GLN C 16 48.401 -6.671 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN C 16 48.004 -8.269 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN C 16 49.059 -6.432 1.235 1.00 0.00 H new ATOM 0 HE22 GLN C 16 48.961 -7.783 2.369 1.00 0.00 H new ATOM 254 N LYS C 17 52.196 -8.310 -3.702 1.00 0.00 N ATOM 255 CA LYS C 17 53.563 -8.293 -4.208 1.00 0.00 C ATOM 256 C LYS C 17 53.659 -7.433 -5.465 1.00 0.00 C ATOM 257 O LYS C 17 54.552 -6.596 -5.589 1.00 0.00 O ATOM 258 CB LYS C 17 54.020 -9.718 -4.527 1.00 0.00 C ATOM 259 CG LYS C 17 55.497 -9.705 -4.923 1.00 0.00 C ATOM 260 CD LYS C 17 55.931 -11.115 -5.327 1.00 0.00 C ATOM 261 CE LYS C 17 57.443 -11.138 -5.559 1.00 0.00 C ATOM 262 NZ LYS C 17 58.148 -10.973 -4.256 1.00 0.00 N ATOM 0 H LYS C 17 51.862 -9.228 -3.410 1.00 0.00 H new ATOM 0 HA LYS C 17 54.209 -7.868 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.871 -10.361 -3.660 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.419 -10.131 -5.337 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.656 -9.013 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS C 17 56.104 -9.351 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS C 17 55.661 -11.827 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS C 17 55.409 -11.422 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS C 17 57.736 -12.078 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS C 17 57.729 -10.339 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 59.084 -11.424 -4.308 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 58.263 -9.960 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 57.590 -11.419 -3.500 1.00 0.00 H new ATOM 276 N ASN C 18 52.732 -7.646 -6.393 1.00 0.00 N ATOM 277 CA ASN C 18 52.721 -6.884 -7.636 1.00 0.00 C ATOM 278 C ASN C 18 52.812 -5.389 -7.349 1.00 0.00 C ATOM 279 O ASN C 18 53.337 -4.622 -8.157 1.00 0.00 O ATOM 280 CB ASN C 18 51.440 -7.178 -8.418 1.00 0.00 C ATOM 281 CG ASN C 18 51.483 -6.479 -9.773 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.347 -6.777 -10.598 1.00 0.00 O ATOM 283 ND2 ASN C 18 50.598 -5.563 -10.053 1.00 0.00 N ATOM 0 H ASN C 18 51.984 -8.334 -6.309 1.00 0.00 H new ATOM 0 HA ASN C 18 53.585 -7.182 -8.230 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.328 -8.253 -8.558 1.00 0.00 H new ATOM 0 HB3 ASN C 18 50.573 -6.838 -7.852 1.00 0.00 H new ATOM 0 HD21 ASN C 18 50.621 -5.092 -10.957 1.00 0.00 H new ATOM 0 HD22 ASN C 18 49.883 -5.318 -9.368 1.00 0.00 H new ATOM 290 N GLU C 19 52.298 -4.981 -6.193 1.00 0.00 N ATOM 291 CA GLU C 19 52.327 -3.574 -5.810 1.00 0.00 C ATOM 292 C GLU C 19 53.683 -3.210 -5.214 1.00 0.00 C ATOM 293 O GLU C 19 54.297 -2.218 -5.606 1.00 0.00 O ATOM 294 CB GLU C 19 51.224 -3.289 -4.788 1.00 0.00 C ATOM 295 CG GLU C 19 49.866 -3.665 -5.383 1.00 0.00 C ATOM 296 CD GLU C 19 48.751 -3.290 -4.413 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.065 -2.913 -3.297 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.598 -3.387 -4.801 1.00 0.00 O ATOM 0 H GLU C 19 51.860 -5.599 -5.510 1.00 0.00 H new ATOM 0 HA GLU C 19 52.161 -2.969 -6.702 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.403 -3.858 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.233 -2.234 -4.513 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.721 -3.151 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.834 -4.735 -5.591 1.00 0.00 H new ATOM 305 N PHE C 20 54.143 -4.018 -4.264 1.00 0.00 N ATOM 306 CA PHE C 20 55.428 -3.770 -3.621 1.00 0.00 C ATOM 307 C PHE C 20 56.550 -3.756 -4.653 1.00 0.00 C ATOM 308 O PHE C 20 57.431 -2.897 -4.615 1.00 0.00 O ATOM 309 CB PHE C 20 55.706 -4.853 -2.576 1.00 0.00 C ATOM 310 CG PHE C 20 57.017 -5.532 -2.891 1.00 0.00 C ATOM 311 CD1 PHE C 20 57.051 -6.609 -3.785 1.00 0.00 C ATOM 312 CD2 PHE C 20 58.199 -5.084 -2.290 1.00 0.00 C ATOM 313 CE1 PHE C 20 58.266 -7.239 -4.077 1.00 0.00 C ATOM 314 CE2 PHE C 20 59.415 -5.714 -2.582 1.00 0.00 C ATOM 315 CZ PHE C 20 59.449 -6.791 -3.475 1.00 0.00 C ATOM 0 H PHE C 20 53.650 -4.844 -3.925 1.00 0.00 H new ATOM 0 HA PHE C 20 55.387 -2.796 -3.133 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.743 -4.411 -1.580 1.00 0.00 H new ATOM 0 HB3 PHE C 20 54.898 -5.584 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE C 20 56.139 -6.954 -4.250 1.00 0.00 H new ATOM 0 HD2 PHE C 20 58.173 -4.253 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE C 20 58.292 -8.070 -4.766 1.00 0.00 H new ATOM 0 HE2 PHE C 20 60.327 -5.369 -2.118 1.00 0.00 H new ATOM 0 HZ PHE C 20 60.387 -7.277 -3.700 1.00 0.00 H new ATOM 325 N LYS C 21 56.512 -4.714 -5.574 1.00 0.00 N ATOM 326 CA LYS C 21 57.532 -4.802 -6.613 1.00 0.00 C ATOM 327 C LYS C 21 57.662 -3.474 -7.351 1.00 0.00 C ATOM 328 O LYS C 21 58.720 -3.154 -7.893 1.00 0.00 O ATOM 329 CB LYS C 21 57.170 -5.907 -7.607 1.00 0.00 C ATOM 330 CG LYS C 21 58.333 -6.122 -8.577 1.00 0.00 C ATOM 331 CD LYS C 21 57.949 -7.186 -9.607 1.00 0.00 C ATOM 332 CE LYS C 21 59.166 -7.525 -10.471 1.00 0.00 C ATOM 333 NZ LYS C 21 58.806 -7.388 -11.910 1.00 0.00 N ATOM 0 H LYS C 21 55.792 -5.435 -5.622 1.00 0.00 H new ATOM 0 HA LYS C 21 58.486 -5.036 -6.140 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.951 -6.832 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.269 -5.635 -8.157 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.579 -5.186 -9.079 1.00 0.00 H new ATOM 0 HG3 LYS C 21 59.223 -6.434 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS C 21 57.588 -8.082 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.135 -6.823 -10.234 1.00 0.00 H new ATOM 0 HE2 LYS C 21 59.995 -6.860 -10.227 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.501 -8.541 -10.264 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 59.632 -7.618 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.028 -8.039 -12.137 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.506 -6.411 -12.101 1.00 0.00 H new ATOM 347 N ALA C 22 56.579 -2.704 -7.369 1.00 0.00 N ATOM 348 CA ALA C 22 56.583 -1.411 -8.045 1.00 0.00 C ATOM 349 C ALA C 22 57.607 -0.477 -7.408 1.00 0.00 C ATOM 350 O ALA C 22 58.606 -0.118 -8.030 1.00 0.00 O ATOM 351 CB ALA C 22 55.193 -0.777 -7.969 1.00 0.00 C ATOM 0 H ALA C 22 55.693 -2.950 -6.927 1.00 0.00 H new ATOM 0 HA ALA C 22 56.852 -1.569 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.205 0.188 -8.476 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.468 -1.432 -8.452 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.915 -0.635 -6.925 1.00 0.00 H new ATOM 357 N ALA C 23 57.350 -0.086 -6.164 1.00 0.00 N ATOM 358 CA ALA C 23 58.256 0.808 -5.452 1.00 0.00 C ATOM 359 C ALA C 23 59.672 0.241 -5.443 1.00 0.00 C ATOM 360 O ALA C 23 60.621 0.911 -5.850 1.00 0.00 O ATOM 361 CB ALA C 23 57.773 1.004 -4.013 1.00 0.00 C ATOM 0 H ALA C 23 56.528 -0.371 -5.631 1.00 0.00 H new ATOM 0 HA ALA C 23 58.266 1.769 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.455 1.673 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.773 1.438 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.746 0.041 -3.504 1.00 0.00 H new ATOM 367 N PHE C 24 59.805 -0.996 -4.977 1.00 0.00 N ATOM 368 CA PHE C 24 61.111 -1.643 -4.920 1.00 0.00 C ATOM 369 C PHE C 24 61.942 -1.283 -6.147 1.00 0.00 C ATOM 370 O PHE C 24 63.152 -1.079 -6.052 1.00 0.00 O ATOM 371 CB PHE C 24 60.939 -3.161 -4.846 1.00 0.00 C ATOM 372 CG PHE C 24 62.285 -3.829 -4.996 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.843 -4.000 -6.269 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.975 -4.277 -3.864 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.091 -4.618 -6.409 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.223 -4.896 -4.004 1.00 0.00 C ATOM 377 CZ PHE C 24 64.781 -5.067 -5.276 1.00 0.00 C ATOM 0 H PHE C 24 59.032 -1.567 -4.636 1.00 0.00 H new ATOM 0 HA PHE C 24 61.630 -1.292 -4.028 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.487 -3.440 -3.894 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.264 -3.500 -5.632 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.310 -3.655 -7.143 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.545 -4.145 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.522 -4.749 -7.391 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.755 -5.242 -3.130 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.743 -5.545 -5.384 1.00 0.00 H new ATOM 387 N ASP C 25 61.284 -1.206 -7.300 1.00 0.00 N ATOM 388 CA ASP C 25 61.972 -0.869 -8.540 1.00 0.00 C ATOM 389 C ASP C 25 62.360 0.606 -8.554 1.00 0.00 C ATOM 390 O ASP C 25 63.498 0.956 -8.868 1.00 0.00 O ATOM 391 CB ASP C 25 61.070 -1.173 -9.738 1.00 0.00 C ATOM 392 CG ASP C 25 60.794 -2.671 -9.815 1.00 0.00 C ATOM 393 OD1 ASP C 25 61.586 -3.428 -9.278 1.00 0.00 O ATOM 394 OD2 ASP C 25 59.795 -3.039 -10.411 1.00 0.00 O ATOM 0 H ASP C 25 60.283 -1.371 -7.401 1.00 0.00 H new ATOM 0 HA ASP C 25 62.878 -1.472 -8.606 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.132 -0.626 -9.645 1.00 0.00 H new ATOM 0 HB3 ASP C 25 61.547 -0.835 -10.658 1.00 0.00 H new ATOM 399 N ILE C 26 61.407 1.466 -8.212 1.00 0.00 N ATOM 400 CA ILE C 26 61.660 2.902 -8.189 1.00 0.00 C ATOM 401 C ILE C 26 62.531 3.273 -6.992 1.00 0.00 C ATOM 402 O ILE C 26 63.148 4.338 -6.968 1.00 0.00 O ATOM 403 CB ILE C 26 60.337 3.665 -8.116 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.482 3.318 -9.337 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.614 5.169 -8.100 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.056 3.830 -9.124 1.00 0.00 C ATOM 0 H ILE C 26 60.459 1.197 -7.949 1.00 0.00 H new ATOM 0 HA ILE C 26 62.185 3.174 -9.105 1.00 0.00 H new ATOM 0 HB ILE C 26 59.806 3.384 -7.207 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.911 3.766 -10.233 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.473 2.239 -9.493 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.670 5.712 -8.048 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.224 5.417 -7.232 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.145 5.451 -9.009 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.447 3.583 -9.994 1.00 0.00 H new ATOM 0 HD12 ILE C 26 57.630 3.361 -8.237 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.074 4.911 -8.989 1.00 0.00 H new ATOM 418 N PHE C 27 62.575 2.388 -6.002 1.00 0.00 N ATOM 419 CA PHE C 27 63.374 2.633 -4.807 1.00 0.00 C ATOM 420 C PHE C 27 64.824 2.222 -5.038 1.00 0.00 C ATOM 421 O PHE C 27 65.667 2.361 -4.152 1.00 0.00 O ATOM 422 CB PHE C 27 62.801 1.846 -3.626 1.00 0.00 C ATOM 423 CG PHE C 27 63.649 0.623 -3.377 1.00 0.00 C ATOM 424 CD1 PHE C 27 64.985 0.600 -3.795 1.00 0.00 C ATOM 425 CD2 PHE C 27 63.100 -0.490 -2.728 1.00 0.00 C ATOM 426 CE1 PHE C 27 65.772 -0.535 -3.564 1.00 0.00 C ATOM 427 CE2 PHE C 27 63.887 -1.625 -2.497 1.00 0.00 C ATOM 428 CZ PHE C 27 65.223 -1.647 -2.915 1.00 0.00 C ATOM 0 H PHE C 27 62.071 1.501 -6.003 1.00 0.00 H new ATOM 0 HA PHE C 27 63.342 3.699 -4.584 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.778 2.473 -2.735 1.00 0.00 H new ATOM 0 HB3 PHE C 27 61.773 1.552 -3.836 1.00 0.00 H new ATOM 0 HD1 PHE C 27 65.409 1.458 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.069 -0.473 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE C 27 66.803 -0.552 -3.887 1.00 0.00 H new ATOM 0 HE2 PHE C 27 63.463 -2.483 -1.997 1.00 0.00 H new ATOM 0 HZ PHE C 27 65.830 -2.522 -2.737 1.00 0.00 H new ATOM 438 N VAL C 28 65.107 1.716 -6.234 1.00 0.00 N ATOM 439 CA VAL C 28 66.460 1.288 -6.570 1.00 0.00 C ATOM 440 C VAL C 28 66.819 1.712 -7.991 1.00 0.00 C ATOM 441 O VAL C 28 67.690 1.116 -8.625 1.00 0.00 O ATOM 442 CB VAL C 28 66.573 -0.232 -6.446 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.221 -0.812 -6.027 1.00 0.00 C ATOM 444 CG2 VAL C 28 66.985 -0.824 -7.795 1.00 0.00 C ATOM 0 H VAL C 28 64.424 1.593 -6.981 1.00 0.00 H new ATOM 0 HA VAL C 28 67.153 1.762 -5.875 1.00 0.00 H new ATOM 0 HB VAL C 28 67.323 -0.480 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.302 -1.895 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL C 28 64.926 -0.390 -5.066 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.470 -0.564 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL C 28 67.066 -1.907 -7.707 1.00 0.00 H new ATOM 0 HG22 VAL C 28 66.235 -0.576 -8.546 1.00 0.00 H new ATOM 0 HG23 VAL C 28 67.948 -0.411 -8.094 1.00 0.00 H new ATOM 454 N LEU C 29 66.142 2.743 -8.485 1.00 0.00 N ATOM 455 CA LEU C 29 66.399 3.237 -9.833 1.00 0.00 C ATOM 456 C LEU C 29 67.794 3.848 -9.923 1.00 0.00 C ATOM 457 O LEU C 29 67.992 5.018 -9.596 1.00 0.00 O ATOM 458 CB LEU C 29 65.354 4.289 -10.212 1.00 0.00 C ATOM 459 CG LEU C 29 64.345 3.678 -11.185 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.127 4.596 -11.301 1.00 0.00 C ATOM 461 CD2 LEU C 29 64.996 3.520 -12.561 1.00 0.00 C ATOM 0 H LEU C 29 65.417 3.249 -7.977 1.00 0.00 H new ATOM 0 HA LEU C 29 66.337 2.397 -10.525 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.843 4.647 -9.319 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.840 5.151 -10.669 1.00 0.00 H new ATOM 0 HG LEU C 29 64.030 2.702 -10.816 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.408 4.160 -11.995 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.663 4.710 -10.321 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.441 5.572 -11.670 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.278 3.084 -13.256 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.310 4.497 -12.929 1.00 0.00 H new ATOM 0 HD23 LEU C 29 65.864 2.866 -12.480 1.00 0.00 H new ATOM 473 N GLY C 30 68.757 3.047 -10.369 1.00 0.00 N ATOM 474 CA GLY C 30 70.130 3.520 -10.498 1.00 0.00 C ATOM 475 C GLY C 30 71.062 2.744 -9.573 1.00 0.00 C ATOM 476 O GLY C 30 72.263 3.009 -9.522 1.00 0.00 O ATOM 0 H GLY C 30 68.614 2.076 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.461 3.410 -11.531 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.177 4.583 -10.260 1.00 0.00 H new ATOM 480 N ALA C 31 70.501 1.785 -8.844 1.00 0.00 N ATOM 481 CA ALA C 31 71.292 0.977 -7.924 1.00 0.00 C ATOM 482 C ALA C 31 72.341 0.171 -8.683 1.00 0.00 C ATOM 483 O ALA C 31 72.309 0.094 -9.911 1.00 0.00 O ATOM 484 CB ALA C 31 70.379 0.026 -7.147 1.00 0.00 C ATOM 0 H ALA C 31 69.509 1.550 -8.872 1.00 0.00 H new ATOM 0 HA ALA C 31 71.798 1.645 -7.227 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.978 -0.574 -6.462 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.649 0.604 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.859 -0.630 -7.845 1.00 0.00 H new ATOM 490 N GLU C 32 73.269 -0.427 -7.944 1.00 0.00 N ATOM 491 CA GLU C 32 74.324 -1.225 -8.559 1.00 0.00 C ATOM 492 C GLU C 32 73.948 -2.704 -8.556 1.00 0.00 C ATOM 493 O GLU C 32 74.098 -3.394 -9.564 1.00 0.00 O ATOM 494 CB GLU C 32 75.638 -1.029 -7.800 1.00 0.00 C ATOM 495 CG GLU C 32 76.069 0.436 -7.896 1.00 0.00 C ATOM 496 CD GLU C 32 76.345 0.804 -9.350 1.00 0.00 C ATOM 497 OE1 GLU C 32 76.516 -0.102 -10.148 1.00 0.00 O ATOM 498 OE2 GLU C 32 76.380 1.988 -9.644 1.00 0.00 O ATOM 0 H GLU C 32 73.313 -0.375 -6.926 1.00 0.00 H new ATOM 0 HA GLU C 32 74.448 -0.895 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.513 -1.315 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.411 -1.675 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.289 1.080 -7.491 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.963 0.601 -7.294 1.00 0.00 H new ATOM 505 N ASP C 33 73.461 -3.182 -7.416 1.00 0.00 N ATOM 506 CA ASP C 33 73.067 -4.581 -7.293 1.00 0.00 C ATOM 507 C ASP C 33 71.547 -4.709 -7.255 1.00 0.00 C ATOM 508 O ASP C 33 70.971 -5.574 -7.913 1.00 0.00 O ATOM 509 CB ASP C 33 73.663 -5.181 -6.018 1.00 0.00 C ATOM 510 CG ASP C 33 75.184 -5.214 -6.119 1.00 0.00 C ATOM 511 OD1 ASP C 33 75.689 -5.035 -7.215 1.00 0.00 O ATOM 512 OD2 ASP C 33 75.822 -5.417 -5.099 1.00 0.00 O ATOM 0 H ASP C 33 73.330 -2.627 -6.570 1.00 0.00 H new ATOM 0 HA ASP C 33 73.444 -5.123 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.360 -4.591 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.278 -6.190 -5.867 1.00 0.00 H new ATOM 517 N GLY C 34 70.905 -3.841 -6.480 1.00 0.00 N ATOM 518 CA GLY C 34 69.451 -3.866 -6.364 1.00 0.00 C ATOM 519 C GLY C 34 69.015 -3.614 -4.925 1.00 0.00 C ATOM 520 O GLY C 34 68.185 -4.343 -4.382 1.00 0.00 O ATOM 0 H GLY C 34 71.364 -3.117 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.017 -3.109 -7.017 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.072 -4.832 -6.699 1.00 0.00 H new ATOM 524 N CYS C 35 69.580 -2.579 -4.313 1.00 0.00 N ATOM 525 CA CYS C 35 69.242 -2.241 -2.935 1.00 0.00 C ATOM 526 C CYS C 35 68.893 -0.761 -2.817 1.00 0.00 C ATOM 527 O CYS C 35 68.711 -0.074 -3.822 1.00 0.00 O ATOM 528 CB CYS C 35 70.419 -2.564 -2.014 1.00 0.00 C ATOM 529 SG CYS C 35 71.151 -4.146 -2.503 1.00 0.00 S ATOM 0 H CYS C 35 70.269 -1.964 -4.745 1.00 0.00 H new ATOM 0 HA CYS C 35 68.376 -2.832 -2.638 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.166 -1.772 -2.070 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.082 -2.612 -0.978 1.00 0.00 H new ATOM 0 HG CYS C 35 70.423 -5.121 -2.046 1.00 0.00 H new ATOM 535 N ILE C 36 68.801 -0.276 -1.583 1.00 0.00 N ATOM 536 CA ILE C 36 68.473 1.125 -1.345 1.00 0.00 C ATOM 537 C ILE C 36 69.497 1.764 -0.413 1.00 0.00 C ATOM 538 O ILE C 36 70.131 1.080 0.390 1.00 0.00 O ATOM 539 CB ILE C 36 67.078 1.237 -0.728 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.361 2.459 -1.308 1.00 0.00 C ATOM 541 CG2 ILE C 36 67.201 1.392 0.789 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.914 2.485 -0.813 1.00 0.00 C ATOM 0 H ILE C 36 68.948 -0.828 -0.738 1.00 0.00 H new ATOM 0 HA ILE C 36 68.491 1.650 -2.300 1.00 0.00 H new ATOM 0 HB ILE C 36 66.507 0.337 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE C 36 66.875 3.372 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.383 2.424 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE C 36 66.207 1.472 1.228 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.712 0.523 1.203 1.00 0.00 H new ATOM 0 HG23 ILE C 36 67.772 2.292 1.018 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.404 3.355 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE C 36 64.403 1.578 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.903 2.541 0.276 1.00 0.00 H new ATOM 554 N SER C 37 69.652 3.079 -0.525 1.00 0.00 N ATOM 555 CA SER C 37 70.603 3.800 0.313 1.00 0.00 C ATOM 556 C SER C 37 70.254 5.284 0.365 1.00 0.00 C ATOM 557 O SER C 37 71.137 6.141 0.320 1.00 0.00 O ATOM 558 CB SER C 37 72.019 3.626 -0.235 1.00 0.00 C ATOM 559 OG SER C 37 72.195 4.475 -1.361 1.00 0.00 O ATOM 0 H SER C 37 69.136 3.663 -1.182 1.00 0.00 H new ATOM 0 HA SER C 37 70.552 3.391 1.322 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.751 3.868 0.535 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.186 2.587 -0.519 1.00 0.00 H new ATOM 0 HG SER C 37 72.230 5.408 -1.065 1.00 0.00 H new ATOM 565 N THR C 38 68.962 5.580 0.459 1.00 0.00 N ATOM 566 CA THR C 38 68.508 6.965 0.516 1.00 0.00 C ATOM 567 C THR C 38 68.695 7.647 -0.835 1.00 0.00 C ATOM 568 O THR C 38 67.742 8.160 -1.420 1.00 0.00 O ATOM 569 CB THR C 38 69.290 7.728 1.588 1.00 0.00 C ATOM 570 OG1 THR C 38 70.486 8.244 1.021 1.00 0.00 O ATOM 571 CG2 THR C 38 69.635 6.783 2.740 1.00 0.00 C ATOM 0 H THR C 38 68.216 4.886 0.497 1.00 0.00 H new ATOM 0 HA THR C 38 67.448 6.969 0.768 1.00 0.00 H new ATOM 0 HB THR C 38 68.682 8.550 1.966 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.147 7.525 0.941 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.192 7.327 3.503 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.717 6.388 3.174 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.243 5.959 2.365 1.00 0.00 H new ATOM 579 N LYS C 39 69.931 7.649 -1.325 1.00 0.00 N ATOM 580 CA LYS C 39 70.232 8.271 -2.609 1.00 0.00 C ATOM 581 C LYS C 39 69.137 7.960 -3.625 1.00 0.00 C ATOM 582 O LYS C 39 68.775 8.807 -4.441 1.00 0.00 O ATOM 583 CB LYS C 39 71.576 7.763 -3.134 1.00 0.00 C ATOM 584 CG LYS C 39 71.994 8.588 -4.353 1.00 0.00 C ATOM 585 CD LYS C 39 73.135 7.878 -5.084 1.00 0.00 C ATOM 586 CE LYS C 39 74.367 7.824 -4.179 1.00 0.00 C ATOM 587 NZ LYS C 39 75.571 7.504 -4.997 1.00 0.00 N ATOM 0 H LYS C 39 70.734 7.230 -0.856 1.00 0.00 H new ATOM 0 HA LYS C 39 70.283 9.350 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS C 39 72.334 7.837 -2.354 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.498 6.710 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS C 39 71.145 8.721 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS C 39 72.312 9.583 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS C 39 72.831 6.869 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.372 8.405 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS C 39 74.502 8.780 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.230 7.070 -3.404 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 76.409 7.467 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 75.441 6.582 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 75.705 8.239 -5.720 1.00 0.00 H new ATOM 601 N GLU C 40 68.614 6.739 -3.569 1.00 0.00 N ATOM 602 CA GLU C 40 67.561 6.327 -4.489 1.00 0.00 C ATOM 603 C GLU C 40 66.187 6.540 -3.862 1.00 0.00 C ATOM 604 O GLU C 40 65.264 7.026 -4.515 1.00 0.00 O ATOM 605 CB GLU C 40 67.734 4.852 -4.855 1.00 0.00 C ATOM 606 CG GLU C 40 69.131 4.631 -5.440 1.00 0.00 C ATOM 607 CD GLU C 40 70.147 4.470 -4.315 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.746 4.542 -3.165 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.313 4.276 -4.620 1.00 0.00 O ATOM 0 H GLU C 40 68.900 6.023 -2.901 1.00 0.00 H new ATOM 0 HA GLU C 40 67.634 6.936 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.595 4.229 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU C 40 66.974 4.554 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.133 3.744 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.407 5.475 -6.073 1.00 0.00 H new ATOM 616 N LEU C 41 66.059 6.173 -2.591 1.00 0.00 N ATOM 617 CA LEU C 41 64.793 6.328 -1.885 1.00 0.00 C ATOM 618 C LEU C 41 64.331 7.782 -1.926 1.00 0.00 C ATOM 619 O LEU C 41 63.248 8.085 -2.425 1.00 0.00 O ATOM 620 CB LEU C 41 64.947 5.881 -0.430 1.00 0.00 C ATOM 621 CG LEU C 41 63.591 5.951 0.273 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.736 4.753 -0.144 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.801 5.923 1.789 1.00 0.00 C ATOM 0 H LEU C 41 66.811 5.769 -2.032 1.00 0.00 H new ATOM 0 HA LEU C 41 64.046 5.706 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.337 4.864 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.667 6.518 0.083 1.00 0.00 H new ATOM 0 HG LEU C 41 63.084 6.874 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU C 41 61.770 4.804 0.358 1.00 0.00 H new ATOM 0 HD12 LEU C 41 62.586 4.771 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU C 41 63.242 3.829 0.136 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.835 5.973 2.291 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.308 5.000 2.069 1.00 0.00 H new ATOM 0 HD23 LEU C 41 64.410 6.776 2.088 1.00 0.00 H new ATOM 635 N GLY C 42 65.160 8.676 -1.397 1.00 0.00 N ATOM 636 CA GLY C 42 64.827 10.095 -1.378 1.00 0.00 C ATOM 637 C GLY C 42 64.279 10.543 -2.729 1.00 0.00 C ATOM 638 O GLY C 42 63.326 11.320 -2.796 1.00 0.00 O ATOM 0 H GLY C 42 66.061 8.445 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.089 10.289 -0.599 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.714 10.678 -1.129 1.00 0.00 H new ATOM 642 N LYS C 43 64.886 10.049 -3.802 1.00 0.00 N ATOM 643 CA LYS C 43 64.450 10.406 -5.147 1.00 0.00 C ATOM 644 C LYS C 43 62.931 10.329 -5.256 1.00 0.00 C ATOM 645 O LYS C 43 62.303 11.156 -5.917 1.00 0.00 O ATOM 646 CB LYS C 43 65.085 9.463 -6.170 1.00 0.00 C ATOM 647 CG LYS C 43 64.891 10.030 -7.578 1.00 0.00 C ATOM 648 CD LYS C 43 66.029 11.000 -7.900 1.00 0.00 C ATOM 649 CE LYS C 43 65.917 11.453 -9.356 1.00 0.00 C ATOM 650 NZ LYS C 43 65.844 10.258 -10.244 1.00 0.00 N ATOM 0 H LYS C 43 65.676 9.405 -3.768 1.00 0.00 H new ATOM 0 HA LYS C 43 64.766 11.429 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS C 43 66.147 9.342 -5.958 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.632 8.474 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS C 43 64.872 9.221 -8.308 1.00 0.00 H new ATOM 0 HG3 LYS C 43 63.932 10.543 -7.646 1.00 0.00 H new ATOM 0 HD2 LYS C 43 65.985 11.863 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.991 10.517 -7.731 1.00 0.00 H new ATOM 0 HE2 LYS C 43 65.030 12.072 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.777 12.067 -9.624 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 66.186 10.509 -11.193 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 66.436 9.498 -9.852 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 64.858 9.932 -10.307 1.00 0.00 H new ATOM 664 N VAL C 44 62.346 9.330 -4.602 1.00 0.00 N ATOM 665 CA VAL C 44 60.898 9.155 -4.632 1.00 0.00 C ATOM 666 C VAL C 44 60.215 10.190 -3.744 1.00 0.00 C ATOM 667 O VAL C 44 59.174 10.740 -4.103 1.00 0.00 O ATOM 668 CB VAL C 44 60.532 7.749 -4.155 1.00 0.00 C ATOM 669 CG1 VAL C 44 61.649 6.774 -4.533 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.358 7.757 -2.634 1.00 0.00 C ATOM 0 H VAL C 44 62.847 8.635 -4.049 1.00 0.00 H new ATOM 0 HA VAL C 44 60.555 9.291 -5.658 1.00 0.00 H new ATOM 0 HB VAL C 44 59.601 7.436 -4.628 1.00 0.00 H new ATOM 0 HG11 VAL C 44 61.388 5.772 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL C 44 61.776 6.768 -5.616 1.00 0.00 H new ATOM 0 HG13 VAL C 44 62.580 7.086 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.097 6.755 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL C 44 61.290 8.070 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL C 44 59.563 8.452 -2.362 1.00 0.00 H new ATOM 680 N MET C 45 60.807 10.450 -2.583 1.00 0.00 N ATOM 681 CA MET C 45 60.246 11.421 -1.651 1.00 0.00 C ATOM 682 C MET C 45 59.792 12.674 -2.392 1.00 0.00 C ATOM 683 O MET C 45 58.607 13.009 -2.396 1.00 0.00 O ATOM 684 CB MET C 45 61.291 11.798 -0.599 1.00 0.00 C ATOM 685 CG MET C 45 61.492 10.627 0.365 1.00 0.00 C ATOM 686 SD MET C 45 60.195 10.655 1.627 1.00 0.00 S ATOM 687 CE MET C 45 59.482 9.034 1.254 1.00 0.00 C ATOM 0 H MET C 45 61.669 10.006 -2.267 1.00 0.00 H new ATOM 0 HA MET C 45 59.383 10.970 -1.161 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.235 12.050 -1.083 1.00 0.00 H new ATOM 0 HB3 MET C 45 60.967 12.683 -0.051 1.00 0.00 H new ATOM 0 HG2 MET C 45 61.463 9.684 -0.181 1.00 0.00 H new ATOM 0 HG3 MET C 45 62.473 10.693 0.835 1.00 0.00 H new ATOM 0 HE1 MET C 45 58.647 8.840 1.928 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.127 9.021 0.223 1.00 0.00 H new ATOM 0 HE3 MET C 45 60.242 8.263 1.386 1.00 0.00 H new ATOM 697 N ARG C 46 60.741 13.362 -3.018 1.00 0.00 N ATOM 698 CA ARG C 46 60.426 14.578 -3.759 1.00 0.00 C ATOM 699 C ARG C 46 59.096 14.429 -4.492 1.00 0.00 C ATOM 700 O ARG C 46 58.312 15.374 -4.573 1.00 0.00 O ATOM 701 CB ARG C 46 61.536 14.877 -4.768 1.00 0.00 C ATOM 702 CG ARG C 46 62.829 15.209 -4.021 1.00 0.00 C ATOM 703 CD ARG C 46 63.922 15.572 -5.028 1.00 0.00 C ATOM 704 NE ARG C 46 63.636 16.865 -5.640 1.00 0.00 N ATOM 705 CZ ARG C 46 64.330 17.298 -6.687 1.00 0.00 C ATOM 706 NH1 ARG C 46 65.286 16.563 -7.185 1.00 0.00 N ATOM 707 NH2 ARG C 46 64.055 18.459 -7.216 1.00 0.00 N ATOM 0 H ARG C 46 61.727 13.101 -3.028 1.00 0.00 H new ATOM 0 HA ARG C 46 60.347 15.403 -3.051 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.691 14.017 -5.420 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.247 15.713 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.662 16.039 -3.335 1.00 0.00 H new ATOM 0 HG3 ARG C 46 63.143 14.356 -3.419 1.00 0.00 H new ATOM 0 HD2 ARG C 46 64.890 15.604 -4.528 1.00 0.00 H new ATOM 0 HD3 ARG C 46 63.986 14.803 -5.798 1.00 0.00 H new ATOM 0 HE ARG C 46 62.890 17.447 -5.258 1.00 0.00 H new ATOM 0 HH11 ARG C 46 65.501 15.656 -6.771 1.00 0.00 H new ATOM 0 HH12 ARG C 46 65.819 16.895 -7.989 1.00 0.00 H new ATOM 0 HH21 ARG C 46 63.308 19.033 -6.826 1.00 0.00 H new ATOM 0 HH22 ARG C 46 64.587 18.792 -8.020 1.00 0.00 H new ATOM 721 N MET C 47 58.850 13.237 -5.025 1.00 0.00 N ATOM 722 CA MET C 47 57.612 12.976 -5.750 1.00 0.00 C ATOM 723 C MET C 47 56.484 12.637 -4.780 1.00 0.00 C ATOM 724 O MET C 47 55.318 12.933 -5.041 1.00 0.00 O ATOM 725 CB MET C 47 57.813 11.816 -6.727 1.00 0.00 C ATOM 726 CG MET C 47 56.871 11.984 -7.921 1.00 0.00 C ATOM 727 SD MET C 47 57.020 10.549 -9.014 1.00 0.00 S ATOM 728 CE MET C 47 55.942 9.438 -8.077 1.00 0.00 C ATOM 0 H MET C 47 59.486 12.442 -4.969 1.00 0.00 H new ATOM 0 HA MET C 47 57.342 13.875 -6.304 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.848 11.789 -7.068 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.617 10.867 -6.227 1.00 0.00 H new ATOM 0 HG2 MET C 47 55.842 12.086 -7.575 1.00 0.00 H new ATOM 0 HG3 MET C 47 57.116 12.896 -8.465 1.00 0.00 H new ATOM 0 HE1 MET C 47 56.456 8.493 -7.903 1.00 0.00 H new ATOM 0 HE2 MET C 47 55.691 9.896 -7.120 1.00 0.00 H new ATOM 0 HE3 MET C 47 55.028 9.255 -8.642 1.00 0.00 H new ATOM 738 N LEU C 48 56.840 12.014 -3.661 1.00 0.00 N ATOM 739 CA LEU C 48 55.849 11.639 -2.659 1.00 0.00 C ATOM 740 C LEU C 48 55.269 12.880 -1.989 1.00 0.00 C ATOM 741 O LEU C 48 54.284 12.798 -1.255 1.00 0.00 O ATOM 742 CB LEU C 48 56.490 10.737 -1.602 1.00 0.00 C ATOM 743 CG LEU C 48 55.508 9.632 -1.210 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.169 8.697 -0.197 1.00 0.00 C ATOM 745 CD2 LEU C 48 54.260 10.259 -0.584 1.00 0.00 C ATOM 0 H LEU C 48 57.800 11.760 -3.426 1.00 0.00 H new ATOM 0 HA LEU C 48 55.043 11.099 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.409 10.300 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU C 48 56.763 11.324 -0.725 1.00 0.00 H new ATOM 0 HG LEU C 48 55.226 9.065 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU C 48 55.469 7.910 0.082 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.059 8.251 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.451 9.263 0.691 1.00 0.00 H new ATOM 0 HD21 LEU C 48 53.559 9.473 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.543 10.825 0.303 1.00 0.00 H new ATOM 0 HD23 LEU C 48 53.788 10.926 -1.305 1.00 0.00 H new ATOM 757 N GLY C 49 55.886 14.028 -2.246 1.00 0.00 N ATOM 758 CA GLY C 49 55.422 15.281 -1.662 1.00 0.00 C ATOM 759 C GLY C 49 56.293 15.686 -0.478 1.00 0.00 C ATOM 760 O GLY C 49 55.896 16.512 0.344 1.00 0.00 O ATOM 0 H GLY C 49 56.703 14.117 -2.850 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.440 16.067 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.387 15.174 -1.337 1.00 0.00 H new ATOM 764 N GLN C 50 57.483 15.099 -0.397 1.00 0.00 N ATOM 765 CA GLN C 50 58.403 15.408 0.691 1.00 0.00 C ATOM 766 C GLN C 50 59.845 15.397 0.194 1.00 0.00 C ATOM 767 O GLN C 50 60.096 15.400 -1.012 1.00 0.00 O ATOM 768 CB GLN C 50 58.242 14.384 1.817 1.00 0.00 C ATOM 769 CG GLN C 50 57.883 15.106 3.117 1.00 0.00 C ATOM 770 CD GLN C 50 59.090 15.882 3.633 1.00 0.00 C ATOM 771 OE1 GLN C 50 59.445 16.921 3.078 1.00 0.00 O ATOM 772 NE2 GLN C 50 59.746 15.435 4.670 1.00 0.00 N ATOM 0 H GLN C 50 57.831 14.412 -1.066 1.00 0.00 H new ATOM 0 HA GLN C 50 58.169 16.403 1.068 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.463 13.666 1.561 1.00 0.00 H new ATOM 0 HB3 GLN C 50 59.166 13.820 1.945 1.00 0.00 H new ATOM 0 HG2 GLN C 50 57.049 15.786 2.946 1.00 0.00 H new ATOM 0 HG3 GLN C 50 57.557 14.384 3.866 1.00 0.00 H new ATOM 0 HE21 GLN C 50 59.450 14.573 5.128 1.00 0.00 H new ATOM 0 HE22 GLN C 50 60.555 15.948 5.022 1.00 0.00 H new ATOM 781 N ASN C 51 60.788 15.385 1.129 1.00 0.00 N ATOM 782 CA ASN C 51 62.203 15.373 0.774 1.00 0.00 C ATOM 783 C ASN C 51 63.069 15.271 2.025 1.00 0.00 C ATOM 784 O ASN C 51 63.576 16.275 2.527 1.00 0.00 O ATOM 785 CB ASN C 51 62.559 16.648 0.007 1.00 0.00 C ATOM 786 CG ASN C 51 64.064 16.886 0.061 1.00 0.00 C ATOM 787 OD1 ASN C 51 64.840 16.072 -0.438 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.525 17.960 0.640 1.00 0.00 N ATOM 0 H ASN C 51 60.601 15.383 2.132 1.00 0.00 H new ATOM 0 HA ASN C 51 62.393 14.504 0.143 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.233 16.562 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.032 17.500 0.437 1.00 0.00 H new ATOM 0 HD21 ASN C 51 65.531 18.126 0.680 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.880 18.634 1.053 1.00 0.00 H new ATOM 795 N PRO C 52 63.242 14.081 2.530 1.00 0.00 N ATOM 796 CA PRO C 52 64.063 13.832 3.749 1.00 0.00 C ATOM 797 C PRO C 52 65.559 13.964 3.473 1.00 0.00 C ATOM 798 O PRO C 52 66.004 13.825 2.333 1.00 0.00 O ATOM 799 CB PRO C 52 63.705 12.397 4.140 1.00 0.00 C ATOM 800 CG PRO C 52 63.259 11.739 2.876 1.00 0.00 C ATOM 801 CD PRO C 52 62.671 12.838 1.989 1.00 0.00 C ATOM 0 HA PRO C 52 63.856 14.557 4.536 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.564 11.881 4.569 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.915 12.380 4.891 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.096 11.248 2.380 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.515 10.970 3.082 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.945 12.696 0.944 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.582 12.847 2.035 1.00 0.00 H new ATOM 809 N THR C 53 66.328 14.232 4.523 1.00 0.00 N ATOM 810 CA THR C 53 67.772 14.381 4.381 1.00 0.00 C ATOM 811 C THR C 53 68.450 13.015 4.341 1.00 0.00 C ATOM 812 O THR C 53 67.849 12.001 4.694 1.00 0.00 O ATOM 813 CB THR C 53 68.331 15.196 5.550 1.00 0.00 C ATOM 814 OG1 THR C 53 69.304 14.424 6.240 1.00 0.00 O ATOM 815 CG2 THR C 53 67.196 15.564 6.506 1.00 0.00 C ATOM 0 H THR C 53 65.979 14.350 5.474 1.00 0.00 H new ATOM 0 HA THR C 53 67.974 14.902 3.445 1.00 0.00 H new ATOM 0 HB THR C 53 68.793 16.108 5.171 1.00 0.00 H new ATOM 0 HG1 THR C 53 69.664 14.945 6.988 1.00 0.00 H new ATOM 0 HG21 THR C 53 67.595 16.144 7.338 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.451 16.156 5.975 1.00 0.00 H new ATOM 0 HG23 THR C 53 66.732 14.654 6.887 1.00 0.00 H new ATOM 823 N PRO C 54 69.684 12.978 3.918 1.00 0.00 N ATOM 824 CA PRO C 54 70.469 11.714 3.826 1.00 0.00 C ATOM 825 C PRO C 54 70.877 11.190 5.201 1.00 0.00 C ATOM 826 O PRO C 54 71.225 10.019 5.351 1.00 0.00 O ATOM 827 CB PRO C 54 71.698 12.108 3.004 1.00 0.00 C ATOM 828 CG PRO C 54 71.861 13.578 3.212 1.00 0.00 C ATOM 829 CD PRO C 54 70.466 14.144 3.480 1.00 0.00 C ATOM 0 HA PRO C 54 69.893 10.906 3.375 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.583 11.564 3.335 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.556 11.874 1.949 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.527 13.778 4.051 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.306 14.046 2.334 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.491 14.918 4.247 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.040 14.596 2.584 1.00 0.00 H new ATOM 837 N GLU C 55 70.832 12.066 6.199 1.00 0.00 N ATOM 838 CA GLU C 55 71.199 11.680 7.557 1.00 0.00 C ATOM 839 C GLU C 55 70.020 11.019 8.263 1.00 0.00 C ATOM 840 O GLU C 55 70.203 10.143 9.109 1.00 0.00 O ATOM 841 CB GLU C 55 71.644 12.912 8.348 1.00 0.00 C ATOM 842 CG GLU C 55 72.917 13.487 7.724 1.00 0.00 C ATOM 843 CD GLU C 55 73.388 14.698 8.523 1.00 0.00 C ATOM 844 OE1 GLU C 55 72.646 15.140 9.384 1.00 0.00 O ATOM 845 OE2 GLU C 55 74.485 15.165 8.261 1.00 0.00 O ATOM 0 H GLU C 55 70.548 13.040 6.095 1.00 0.00 H new ATOM 0 HA GLU C 55 72.022 10.967 7.502 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.854 13.663 8.346 1.00 0.00 H new ATOM 0 HB3 GLU C 55 71.826 12.643 9.389 1.00 0.00 H new ATOM 0 HG2 GLU C 55 73.698 12.727 7.705 1.00 0.00 H new ATOM 0 HG3 GLU C 55 72.727 13.775 6.690 1.00 0.00 H new ATOM 852 N GLU C 56 68.811 11.443 7.909 1.00 0.00 N ATOM 853 CA GLU C 56 67.609 10.884 8.516 1.00 0.00 C ATOM 854 C GLU C 56 67.087 9.712 7.690 1.00 0.00 C ATOM 855 O GLU C 56 66.673 8.690 8.237 1.00 0.00 O ATOM 856 CB GLU C 56 66.526 11.960 8.618 1.00 0.00 C ATOM 857 CG GLU C 56 67.015 13.091 9.525 1.00 0.00 C ATOM 858 CD GLU C 56 65.928 14.152 9.667 1.00 0.00 C ATOM 859 OE1 GLU C 56 64.954 14.075 8.936 1.00 0.00 O ATOM 860 OE2 GLU C 56 66.086 15.025 10.504 1.00 0.00 O ATOM 0 H GLU C 56 68.638 12.166 7.211 1.00 0.00 H new ATOM 0 HA GLU C 56 67.862 10.527 9.514 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.291 12.350 7.628 1.00 0.00 H new ATOM 0 HB3 GLU C 56 65.608 11.530 9.018 1.00 0.00 H new ATOM 0 HG2 GLU C 56 67.278 12.694 10.506 1.00 0.00 H new ATOM 0 HG3 GLU C 56 67.918 13.537 9.109 1.00 0.00 H new ATOM 867 N LEU C 57 67.111 9.868 6.370 1.00 0.00 N ATOM 868 CA LEU C 57 66.639 8.816 5.478 1.00 0.00 C ATOM 869 C LEU C 57 67.018 7.442 6.022 1.00 0.00 C ATOM 870 O LEU C 57 66.218 6.507 5.986 1.00 0.00 O ATOM 871 CB LEU C 57 67.245 9.001 4.085 1.00 0.00 C ATOM 872 CG LEU C 57 66.295 9.832 3.221 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.040 10.340 1.986 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.115 8.962 2.782 1.00 0.00 C ATOM 0 H LEU C 57 67.450 10.706 5.898 1.00 0.00 H new ATOM 0 HA LEU C 57 65.553 8.881 5.413 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.213 9.497 4.161 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.420 8.030 3.621 1.00 0.00 H new ATOM 0 HG LEU C 57 65.928 10.681 3.798 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.363 10.932 1.371 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.882 10.959 2.298 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.407 9.492 1.408 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.437 9.553 2.166 1.00 0.00 H new ATOM 0 HD22 LEU C 57 65.483 8.114 2.205 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.583 8.599 3.662 1.00 0.00 H new ATOM 886 N GLN C 58 68.243 7.328 6.524 1.00 0.00 N ATOM 887 CA GLN C 58 68.718 6.063 7.073 1.00 0.00 C ATOM 888 C GLN C 58 67.622 5.390 7.893 1.00 0.00 C ATOM 889 O GLN C 58 67.497 4.165 7.892 1.00 0.00 O ATOM 890 CB GLN C 58 69.944 6.304 7.956 1.00 0.00 C ATOM 891 CG GLN C 58 71.104 6.803 7.093 1.00 0.00 C ATOM 892 CD GLN C 58 72.310 7.118 7.973 1.00 0.00 C ATOM 893 OE1 GLN C 58 72.168 7.290 9.183 1.00 0.00 O ATOM 894 NE2 GLN C 58 73.495 7.204 7.433 1.00 0.00 N ATOM 0 H GLN C 58 68.920 8.090 6.562 1.00 0.00 H new ATOM 0 HA GLN C 58 68.990 5.409 6.245 1.00 0.00 H new ATOM 0 HB2 GLN C 58 69.710 7.036 8.729 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.226 5.382 8.465 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.370 6.047 6.354 1.00 0.00 H new ATOM 0 HG3 GLN C 58 70.802 7.694 6.543 1.00 0.00 H new ATOM 0 HE21 GLN C 58 73.610 7.061 6.430 1.00 0.00 H new ATOM 0 HE22 GLN C 58 74.306 7.414 8.014 1.00 0.00 H new ATOM 903 N GLU C 59 66.832 6.198 8.592 1.00 0.00 N ATOM 904 CA GLU C 59 65.749 5.668 9.413 1.00 0.00 C ATOM 905 C GLU C 59 64.866 4.731 8.596 1.00 0.00 C ATOM 906 O GLU C 59 64.499 3.650 9.056 1.00 0.00 O ATOM 907 CB GLU C 59 64.903 6.817 9.967 1.00 0.00 C ATOM 908 CG GLU C 59 65.757 7.676 10.901 1.00 0.00 C ATOM 909 CD GLU C 59 64.932 8.841 11.437 1.00 0.00 C ATOM 910 OE1 GLU C 59 63.839 9.048 10.935 1.00 0.00 O ATOM 911 OE2 GLU C 59 65.405 9.510 12.341 1.00 0.00 O ATOM 0 H GLU C 59 66.920 7.214 8.607 1.00 0.00 H new ATOM 0 HA GLU C 59 66.186 5.108 10.240 1.00 0.00 H new ATOM 0 HB2 GLU C 59 64.516 7.425 9.149 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.042 6.422 10.505 1.00 0.00 H new ATOM 0 HG2 GLU C 59 66.127 7.071 11.728 1.00 0.00 H new ATOM 0 HG3 GLU C 59 66.629 8.053 10.366 1.00 0.00 H new ATOM 918 N MET C 60 64.529 5.153 7.382 1.00 0.00 N ATOM 919 CA MET C 60 63.688 4.343 6.508 1.00 0.00 C ATOM 920 C MET C 60 64.379 3.025 6.172 1.00 0.00 C ATOM 921 O MET C 60 63.743 2.081 5.703 1.00 0.00 O ATOM 922 CB MET C 60 63.386 5.107 5.218 1.00 0.00 C ATOM 923 CG MET C 60 62.601 6.378 5.549 1.00 0.00 C ATOM 924 SD MET C 60 61.496 6.780 4.173 1.00 0.00 S ATOM 925 CE MET C 60 60.983 8.412 4.764 1.00 0.00 C ATOM 0 H MET C 60 64.823 6.045 6.983 1.00 0.00 H new ATOM 0 HA MET C 60 62.755 4.129 7.029 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.315 5.363 4.709 1.00 0.00 H new ATOM 0 HB3 MET C 60 62.812 4.479 4.537 1.00 0.00 H new ATOM 0 HG2 MET C 60 62.024 6.234 6.463 1.00 0.00 H new ATOM 0 HG3 MET C 60 63.287 7.205 5.732 1.00 0.00 H new ATOM 0 HE1 MET C 60 60.284 8.853 4.053 1.00 0.00 H new ATOM 0 HE2 MET C 60 60.498 8.311 5.735 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.857 9.056 4.860 1.00 0.00 H new ATOM 935 N ILE C 61 65.685 2.969 6.414 1.00 0.00 N ATOM 936 CA ILE C 61 66.453 1.762 6.133 1.00 0.00 C ATOM 937 C ILE C 61 66.761 1.011 7.424 1.00 0.00 C ATOM 938 O ILE C 61 66.691 -0.217 7.471 1.00 0.00 O ATOM 939 CB ILE C 61 67.761 2.127 5.429 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.452 2.668 4.031 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.642 0.882 5.310 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.358 4.194 4.083 1.00 0.00 C ATOM 0 H ILE C 61 66.230 3.739 6.801 1.00 0.00 H new ATOM 0 HA ILE C 61 65.859 1.119 5.484 1.00 0.00 H new ATOM 0 HB ILE C 61 68.285 2.888 6.007 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.231 2.365 3.332 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.515 2.248 3.666 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.574 1.142 4.808 1.00 0.00 H new ATOM 0 HG22 ILE C 61 68.861 0.495 6.305 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.119 0.120 4.732 1.00 0.00 H new ATOM 0 HD11 ILE C 61 67.138 4.579 3.087 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.563 4.486 4.769 1.00 0.00 H new ATOM 0 HD13 ILE C 61 68.306 4.605 4.430 1.00 0.00 H new ATOM 954 N ASP C 62 67.101 1.757 8.470 1.00 0.00 N ATOM 955 CA ASP C 62 67.416 1.150 9.758 1.00 0.00 C ATOM 956 C ASP C 62 66.163 0.554 10.391 1.00 0.00 C ATOM 957 O ASP C 62 66.246 -0.257 11.313 1.00 0.00 O ATOM 958 CB ASP C 62 68.015 2.199 10.697 1.00 0.00 C ATOM 959 CG ASP C 62 69.379 2.643 10.181 1.00 0.00 C ATOM 960 OD1 ASP C 62 69.895 1.988 9.290 1.00 0.00 O ATOM 961 OD2 ASP C 62 69.888 3.631 10.684 1.00 0.00 O ATOM 0 H ASP C 62 67.165 2.775 8.452 1.00 0.00 H new ATOM 0 HA ASP C 62 68.141 0.352 9.595 1.00 0.00 H new ATOM 0 HB2 ASP C 62 67.347 3.058 10.769 1.00 0.00 H new ATOM 0 HB3 ASP C 62 68.114 1.786 11.701 1.00 0.00 H new ATOM 966 N GLU C 63 65.002 0.963 9.889 1.00 0.00 N ATOM 967 CA GLU C 63 63.736 0.462 10.412 1.00 0.00 C ATOM 968 C GLU C 63 63.545 -1.005 10.040 1.00 0.00 C ATOM 969 O GLU C 63 62.768 -1.720 10.673 1.00 0.00 O ATOM 970 CB GLU C 63 62.576 1.288 9.852 1.00 0.00 C ATOM 971 CG GLU C 63 61.287 0.926 10.592 1.00 0.00 C ATOM 972 CD GLU C 63 60.115 1.709 10.011 1.00 0.00 C ATOM 973 OE1 GLU C 63 60.334 2.455 9.071 1.00 0.00 O ATOM 974 OE2 GLU C 63 59.015 1.551 10.514 1.00 0.00 O ATOM 0 H GLU C 63 64.912 1.635 9.127 1.00 0.00 H new ATOM 0 HA GLU C 63 63.753 0.550 11.498 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.786 2.352 9.964 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.461 1.097 8.785 1.00 0.00 H new ATOM 0 HG2 GLU C 63 61.098 -0.144 10.508 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.393 1.148 11.654 1.00 0.00 H new ATOM 981 N VAL C 64 64.260 -1.447 9.010 1.00 0.00 N ATOM 982 CA VAL C 64 64.161 -2.831 8.563 1.00 0.00 C ATOM 983 C VAL C 64 65.502 -3.317 8.023 1.00 0.00 C ATOM 984 O VAL C 64 65.607 -3.721 6.865 1.00 0.00 O ATOM 985 CB VAL C 64 63.096 -2.953 7.472 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.720 -2.642 8.064 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.403 -1.960 6.349 1.00 0.00 C ATOM 0 H VAL C 64 64.909 -0.872 8.473 1.00 0.00 H new ATOM 0 HA VAL C 64 63.880 -3.449 9.416 1.00 0.00 H new ATOM 0 HB VAL C 64 63.099 -3.967 7.073 1.00 0.00 H new ATOM 0 HG11 VAL C 64 60.961 -2.729 7.286 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.501 -3.348 8.865 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.716 -1.628 8.463 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.645 -2.045 5.570 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.400 -0.946 6.749 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.383 -2.180 5.927 1.00 0.00 H new ATOM 997 N ASP C 65 66.526 -3.275 8.870 1.00 0.00 N ATOM 998 CA ASP C 65 67.857 -3.714 8.467 1.00 0.00 C ATOM 999 C ASP C 65 68.361 -4.815 9.394 1.00 0.00 C ATOM 1000 O ASP C 65 69.308 -4.615 10.155 1.00 0.00 O ATOM 1001 CB ASP C 65 68.828 -2.533 8.499 1.00 0.00 C ATOM 1002 CG ASP C 65 70.237 -3.007 8.158 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.426 -4.207 8.048 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.105 -2.163 8.011 1.00 0.00 O ATOM 0 H ASP C 65 66.461 -2.944 9.833 1.00 0.00 H new ATOM 0 HA ASP C 65 67.798 -4.108 7.452 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.510 -1.771 7.788 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.820 -2.071 9.486 1.00 0.00 H new ATOM 1009 N GLU C 66 67.721 -5.978 9.325 1.00 0.00 N ATOM 1010 CA GLU C 66 68.114 -7.105 10.164 1.00 0.00 C ATOM 1011 C GLU C 66 69.445 -7.684 9.696 1.00 0.00 C ATOM 1012 O GLU C 66 69.825 -8.788 10.087 1.00 0.00 O ATOM 1013 CB GLU C 66 67.038 -8.192 10.115 1.00 0.00 C ATOM 1014 CG GLU C 66 66.884 -8.695 8.678 1.00 0.00 C ATOM 1015 CD GLU C 66 65.640 -9.569 8.563 1.00 0.00 C ATOM 1016 OE1 GLU C 66 64.977 -9.758 9.569 1.00 0.00 O ATOM 1017 OE2 GLU C 66 65.369 -10.037 7.469 1.00 0.00 O ATOM 0 H GLU C 66 66.935 -6.164 8.703 1.00 0.00 H new ATOM 0 HA GLU C 66 68.226 -6.749 11.188 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.310 -9.017 10.773 1.00 0.00 H new ATOM 0 HB3 GLU C 66 66.089 -7.796 10.476 1.00 0.00 H new ATOM 0 HG2 GLU C 66 66.809 -7.850 7.994 1.00 0.00 H new ATOM 0 HG3 GLU C 66 67.767 -9.264 8.386 1.00 0.00 H new ATOM 1024 N ASP C 67 70.149 -6.932 8.856 1.00 0.00 N ATOM 1025 CA ASP C 67 71.438 -7.381 8.341 1.00 0.00 C ATOM 1026 C ASP C 67 72.402 -6.206 8.211 1.00 0.00 C ATOM 1027 O ASP C 67 72.371 -5.473 7.223 1.00 0.00 O ATOM 1028 CB ASP C 67 71.252 -8.045 6.976 1.00 0.00 C ATOM 1029 CG ASP C 67 71.151 -6.981 5.888 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.452 -5.835 6.179 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.774 -7.328 4.781 1.00 0.00 O ATOM 0 H ASP C 67 69.852 -6.016 8.519 1.00 0.00 H new ATOM 0 HA ASP C 67 71.857 -8.103 9.042 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.090 -8.710 6.769 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.351 -8.659 6.981 1.00 0.00 H new ATOM 1036 N GLY C 68 73.256 -6.034 9.214 1.00 0.00 N ATOM 1037 CA GLY C 68 74.225 -4.944 9.200 1.00 0.00 C ATOM 1038 C GLY C 68 74.766 -4.715 7.793 1.00 0.00 C ATOM 1039 O GLY C 68 75.955 -4.902 7.536 1.00 0.00 O ATOM 0 H GLY C 68 73.298 -6.630 10.041 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.756 -4.031 9.567 1.00 0.00 H new ATOM 0 HA3 GLY C 68 75.047 -5.174 9.877 1.00 0.00 H new ATOM 1043 N SER C 69 73.885 -4.310 6.884 1.00 0.00 N ATOM 1044 CA SER C 69 74.285 -4.058 5.504 1.00 0.00 C ATOM 1045 C SER C 69 74.192 -2.571 5.182 1.00 0.00 C ATOM 1046 O SER C 69 75.078 -2.008 4.538 1.00 0.00 O ATOM 1047 CB SER C 69 73.389 -4.847 4.549 1.00 0.00 C ATOM 1048 OG SER C 69 72.197 -4.110 4.309 1.00 0.00 O ATOM 0 H SER C 69 72.896 -4.150 7.076 1.00 0.00 H new ATOM 0 HA SER C 69 75.319 -4.380 5.380 1.00 0.00 H new ATOM 0 HB2 SER C 69 73.912 -5.032 3.610 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.149 -5.820 4.977 1.00 0.00 H new ATOM 0 HG SER C 69 71.473 -4.470 4.863 1.00 0.00 H new ATOM 1054 N GLY C 70 73.113 -1.939 5.633 1.00 0.00 N ATOM 1055 CA GLY C 70 72.914 -0.516 5.386 1.00 0.00 C ATOM 1056 C GLY C 70 71.886 -0.293 4.283 1.00 0.00 C ATOM 1057 O GLY C 70 71.105 0.657 4.332 1.00 0.00 O ATOM 0 H GLY C 70 72.368 -2.386 6.168 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.582 -0.027 6.302 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.861 -0.056 5.104 1.00 0.00 H new ATOM 1061 N THR C 71 71.891 -1.175 3.288 1.00 0.00 N ATOM 1062 CA THR C 71 70.953 -1.064 2.177 1.00 0.00 C ATOM 1063 C THR C 71 69.756 -1.985 2.393 1.00 0.00 C ATOM 1064 O THR C 71 69.859 -3.002 3.078 1.00 0.00 O ATOM 1065 CB THR C 71 71.651 -1.429 0.866 1.00 0.00 C ATOM 1066 OG1 THR C 71 71.656 -2.842 0.712 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.090 -0.912 0.889 1.00 0.00 C ATOM 0 H THR C 71 72.529 -1.969 3.228 1.00 0.00 H new ATOM 0 HA THR C 71 70.600 -0.034 2.125 1.00 0.00 H new ATOM 0 HB THR C 71 71.118 -0.973 0.032 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.235 -3.087 -0.039 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.585 -1.173 -0.046 1.00 0.00 H new ATOM 0 HG22 THR C 71 73.085 0.172 1.007 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.626 -1.365 1.723 1.00 0.00 H new ATOM 1075 N VAL C 72 68.622 -1.620 1.802 1.00 0.00 N ATOM 1076 CA VAL C 72 67.411 -2.422 1.936 1.00 0.00 C ATOM 1077 C VAL C 72 67.223 -3.317 0.716 1.00 0.00 C ATOM 1078 O VAL C 72 67.698 -3.002 -0.376 1.00 0.00 O ATOM 1079 CB VAL C 72 66.195 -1.507 2.093 1.00 0.00 C ATOM 1080 CG1 VAL C 72 64.951 -2.354 2.366 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.426 -0.550 3.264 1.00 0.00 C ATOM 0 H VAL C 72 68.517 -0.782 1.231 1.00 0.00 H new ATOM 0 HA VAL C 72 67.510 -3.051 2.821 1.00 0.00 H new ATOM 0 HB VAL C 72 66.051 -0.934 1.177 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.084 -1.702 2.478 1.00 0.00 H new ATOM 0 HG12 VAL C 72 64.786 -3.037 1.533 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.095 -2.927 3.282 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.560 0.103 3.377 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.570 -1.124 4.180 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.313 0.054 3.071 1.00 0.00 H new ATOM 1091 N ASP C 73 66.529 -4.434 0.908 1.00 0.00 N ATOM 1092 CA ASP C 73 66.285 -5.367 -0.185 1.00 0.00 C ATOM 1093 C ASP C 73 64.841 -5.859 -0.157 1.00 0.00 C ATOM 1094 O ASP C 73 64.068 -5.496 0.729 1.00 0.00 O ATOM 1095 CB ASP C 73 67.235 -6.561 -0.074 1.00 0.00 C ATOM 1096 CG ASP C 73 68.675 -6.102 -0.274 1.00 0.00 C ATOM 1097 OD1 ASP C 73 68.864 -5.052 -0.866 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.568 -6.806 0.168 1.00 0.00 O ATOM 0 H ASP C 73 66.128 -4.714 1.803 1.00 0.00 H new ATOM 0 HA ASP C 73 66.462 -4.848 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.127 -7.032 0.903 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.977 -7.312 -0.821 1.00 0.00 H new ATOM 1103 N PHE C 74 64.484 -6.687 -1.134 1.00 0.00 N ATOM 1104 CA PHE C 74 63.130 -7.223 -1.211 1.00 0.00 C ATOM 1105 C PHE C 74 62.737 -7.877 0.110 1.00 0.00 C ATOM 1106 O PHE C 74 61.553 -8.060 0.395 1.00 0.00 O ATOM 1107 CB PHE C 74 63.038 -8.251 -2.340 1.00 0.00 C ATOM 1108 CG PHE C 74 63.910 -9.439 -2.011 1.00 0.00 C ATOM 1109 CD1 PHE C 74 65.272 -9.419 -2.335 1.00 0.00 C ATOM 1110 CD2 PHE C 74 63.357 -10.561 -1.382 1.00 0.00 C ATOM 1111 CE1 PHE C 74 66.080 -10.521 -2.031 1.00 0.00 C ATOM 1112 CE2 PHE C 74 64.165 -11.663 -1.078 1.00 0.00 C ATOM 1113 CZ PHE C 74 65.527 -11.643 -1.402 1.00 0.00 C ATOM 0 H PHE C 74 65.108 -6.999 -1.878 1.00 0.00 H new ATOM 0 HA PHE C 74 62.445 -6.400 -1.414 1.00 0.00 H new ATOM 0 HB2 PHE C 74 62.004 -8.571 -2.472 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.356 -7.803 -3.281 1.00 0.00 H new ATOM 0 HD1 PHE C 74 65.699 -8.553 -2.819 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.307 -10.576 -1.131 1.00 0.00 H new ATOM 0 HE1 PHE C 74 67.130 -10.506 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE C 74 63.738 -12.529 -0.594 1.00 0.00 H new ATOM 0 HZ PHE C 74 66.151 -12.493 -1.167 1.00 0.00 H new ATOM 1123 N ASP C 75 63.737 -8.227 0.912 1.00 0.00 N ATOM 1124 CA ASP C 75 63.483 -8.861 2.201 1.00 0.00 C ATOM 1125 C ASP C 75 63.149 -7.812 3.257 1.00 0.00 C ATOM 1126 O ASP C 75 62.163 -7.939 3.982 1.00 0.00 O ATOM 1127 CB ASP C 75 64.712 -9.658 2.642 1.00 0.00 C ATOM 1128 CG ASP C 75 64.414 -10.397 3.942 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.902 -11.502 3.869 1.00 0.00 O ATOM 1130 OD2 ASP C 75 64.702 -9.847 4.992 1.00 0.00 O ATOM 0 H ASP C 75 64.723 -8.084 0.695 1.00 0.00 H new ATOM 0 HA ASP C 75 62.633 -9.535 2.092 1.00 0.00 H new ATOM 0 HB2 ASP C 75 64.992 -10.370 1.865 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.560 -8.987 2.781 1.00 0.00 H new ATOM 1135 N GLU C 76 63.977 -6.775 3.336 1.00 0.00 N ATOM 1136 CA GLU C 76 63.759 -5.709 4.307 1.00 0.00 C ATOM 1137 C GLU C 76 62.678 -4.751 3.817 1.00 0.00 C ATOM 1138 O GLU C 76 61.796 -4.354 4.579 1.00 0.00 O ATOM 1139 CB GLU C 76 65.061 -4.938 4.536 1.00 0.00 C ATOM 1140 CG GLU C 76 66.101 -5.867 5.164 1.00 0.00 C ATOM 1141 CD GLU C 76 67.442 -5.149 5.274 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.537 -4.035 4.788 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.355 -5.725 5.842 1.00 0.00 O ATOM 0 H GLU C 76 64.799 -6.650 2.744 1.00 0.00 H new ATOM 0 HA GLU C 76 63.432 -6.158 5.245 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.434 -4.544 3.591 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.880 -4.084 5.188 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.767 -6.185 6.152 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.209 -6.767 4.559 1.00 0.00 H new ATOM 1150 N PHE C 77 62.753 -4.384 2.542 1.00 0.00 N ATOM 1151 CA PHE C 77 61.774 -3.472 1.961 1.00 0.00 C ATOM 1152 C PHE C 77 60.357 -3.979 2.208 1.00 0.00 C ATOM 1153 O PHE C 77 59.531 -3.282 2.796 1.00 0.00 O ATOM 1154 CB PHE C 77 62.015 -3.337 0.457 1.00 0.00 C ATOM 1155 CG PHE C 77 61.243 -2.152 -0.073 1.00 0.00 C ATOM 1156 CD1 PHE C 77 61.518 -0.866 0.407 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.253 -2.340 -1.044 1.00 0.00 C ATOM 1158 CE1 PHE C 77 60.802 0.232 -0.084 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.537 -1.242 -1.535 1.00 0.00 C ATOM 1160 CZ PHE C 77 59.811 0.044 -1.055 1.00 0.00 C ATOM 0 H PHE C 77 63.475 -4.701 1.895 1.00 0.00 H new ATOM 0 HA PHE C 77 61.887 -2.497 2.436 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.079 -3.209 0.259 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.702 -4.247 -0.055 1.00 0.00 H new ATOM 0 HD1 PHE C 77 62.282 -0.721 1.156 1.00 0.00 H new ATOM 0 HD2 PHE C 77 60.041 -3.332 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE C 77 61.014 1.224 0.286 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.773 -1.387 -2.284 1.00 0.00 H new ATOM 0 HZ PHE C 77 59.258 0.891 -1.434 1.00 0.00 H new ATOM 1170 N LEU C 78 60.083 -5.198 1.754 1.00 0.00 N ATOM 1171 CA LEU C 78 58.761 -5.789 1.930 1.00 0.00 C ATOM 1172 C LEU C 78 58.216 -5.476 3.320 1.00 0.00 C ATOM 1173 O LEU C 78 57.175 -4.833 3.459 1.00 0.00 O ATOM 1174 CB LEU C 78 58.837 -7.305 1.739 1.00 0.00 C ATOM 1175 CG LEU C 78 58.475 -7.656 0.296 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.942 -9.079 -0.017 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.957 -7.569 0.116 1.00 0.00 C ATOM 0 H LEU C 78 60.753 -5.792 1.265 1.00 0.00 H new ATOM 0 HA LEU C 78 58.090 -5.363 1.184 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.841 -7.661 1.970 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.155 -7.804 2.428 1.00 0.00 H new ATOM 0 HG LEU C 78 58.964 -6.956 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.684 -9.329 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.022 -9.144 0.112 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.453 -9.780 0.660 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.698 -7.819 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.469 -8.270 0.794 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.622 -6.556 0.339 1.00 0.00 H new ATOM 1189 N VAL C 79 58.926 -5.934 4.346 1.00 0.00 N ATOM 1190 CA VAL C 79 58.503 -5.697 5.721 1.00 0.00 C ATOM 1191 C VAL C 79 58.146 -4.228 5.926 1.00 0.00 C ATOM 1192 O VAL C 79 57.129 -3.907 6.541 1.00 0.00 O ATOM 1193 CB VAL C 79 59.621 -6.092 6.687 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.256 -5.644 8.103 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.799 -7.612 6.665 1.00 0.00 C ATOM 0 H VAL C 79 59.790 -6.467 4.253 1.00 0.00 H new ATOM 0 HA VAL C 79 57.620 -6.305 5.920 1.00 0.00 H new ATOM 0 HB VAL C 79 60.550 -5.611 6.382 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.053 -5.926 8.791 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.128 -4.562 8.120 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.327 -6.125 8.408 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.596 -7.895 7.353 1.00 0.00 H new ATOM 0 HG22 VAL C 79 58.869 -8.092 6.970 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.060 -7.933 5.657 1.00 0.00 H new ATOM 1205 N MET C 80 58.989 -3.342 5.407 1.00 0.00 N ATOM 1206 CA MET C 80 58.752 -1.909 5.539 1.00 0.00 C ATOM 1207 C MET C 80 57.324 -1.563 5.129 1.00 0.00 C ATOM 1208 O MET C 80 56.812 -0.496 5.469 1.00 0.00 O ATOM 1209 CB MET C 80 59.738 -1.133 4.664 1.00 0.00 C ATOM 1210 CG MET C 80 59.655 0.357 4.999 1.00 0.00 C ATOM 1211 SD MET C 80 60.684 1.294 3.841 1.00 0.00 S ATOM 1212 CE MET C 80 60.462 2.920 4.604 1.00 0.00 C ATOM 0 H MET C 80 59.836 -3.588 4.895 1.00 0.00 H new ATOM 0 HA MET C 80 58.897 -1.631 6.583 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.752 -1.498 4.829 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.509 -1.293 3.610 1.00 0.00 H new ATOM 0 HG2 MET C 80 58.621 0.697 4.940 1.00 0.00 H new ATOM 0 HG3 MET C 80 59.990 0.530 6.022 1.00 0.00 H new ATOM 0 HE1 MET C 80 60.705 3.698 3.880 1.00 0.00 H new ATOM 0 HE2 MET C 80 59.426 3.033 4.925 1.00 0.00 H new ATOM 0 HE3 MET C 80 61.121 3.010 5.467 1.00 0.00 H new ATOM 1222 N MET C 81 56.687 -2.471 4.399 1.00 0.00 N ATOM 1223 CA MET C 81 55.317 -2.252 3.948 1.00 0.00 C ATOM 1224 C MET C 81 54.323 -2.807 4.963 1.00 0.00 C ATOM 1225 O MET C 81 53.362 -2.135 5.336 1.00 0.00 O ATOM 1226 CB MET C 81 55.098 -2.928 2.593 1.00 0.00 C ATOM 1227 CG MET C 81 55.617 -2.019 1.478 1.00 0.00 C ATOM 1228 SD MET C 81 57.358 -1.626 1.781 1.00 0.00 S ATOM 1229 CE MET C 81 57.146 0.152 2.046 1.00 0.00 C ATOM 0 H MET C 81 57.093 -3.360 4.108 1.00 0.00 H new ATOM 0 HA MET C 81 55.155 -1.179 3.848 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.616 -3.887 2.565 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.038 -3.134 2.445 1.00 0.00 H new ATOM 0 HG2 MET C 81 55.507 -2.512 0.512 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.028 -1.103 1.437 1.00 0.00 H new ATOM 0 HE1 MET C 81 57.899 0.507 2.749 1.00 0.00 H new ATOM 0 HE2 MET C 81 57.258 0.677 1.097 1.00 0.00 H new ATOM 0 HE3 MET C 81 56.152 0.344 2.451 1.00 0.00 H new ATOM 1239 N VAL C 82 54.562 -4.037 5.406 1.00 0.00 N ATOM 1240 CA VAL C 82 53.681 -4.673 6.378 1.00 0.00 C ATOM 1241 C VAL C 82 53.588 -3.831 7.647 1.00 0.00 C ATOM 1242 O VAL C 82 52.520 -3.716 8.250 1.00 0.00 O ATOM 1243 CB VAL C 82 54.206 -6.066 6.726 1.00 0.00 C ATOM 1244 CG1 VAL C 82 54.877 -6.682 5.497 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.227 -5.957 7.861 1.00 0.00 C ATOM 0 H VAL C 82 55.352 -4.610 5.110 1.00 0.00 H new ATOM 0 HA VAL C 82 52.687 -4.759 5.938 1.00 0.00 H new ATOM 0 HB VAL C 82 53.375 -6.698 7.041 1.00 0.00 H new ATOM 0 HG11 VAL C 82 55.251 -7.675 5.746 1.00 0.00 H new ATOM 0 HG12 VAL C 82 54.152 -6.760 4.687 1.00 0.00 H new ATOM 0 HG13 VAL C 82 55.707 -6.050 5.181 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.602 -6.950 8.110 1.00 0.00 H new ATOM 0 HG22 VAL C 82 56.057 -5.325 7.545 1.00 0.00 H new ATOM 0 HG23 VAL C 82 54.751 -5.519 8.738 1.00 0.00 H new ATOM 1255 N ARG C 83 54.712 -3.245 8.046 1.00 0.00 N ATOM 1256 CA ARG C 83 54.745 -2.416 9.246 1.00 0.00 C ATOM 1257 C ARG C 83 53.802 -1.226 9.101 1.00 0.00 C ATOM 1258 O ARG C 83 53.229 -0.753 10.082 1.00 0.00 O ATOM 1259 CB ARG C 83 56.169 -1.914 9.494 1.00 0.00 C ATOM 1260 CG ARG C 83 57.072 -3.096 9.849 1.00 0.00 C ATOM 1261 CD ARG C 83 58.456 -2.580 10.248 1.00 0.00 C ATOM 1262 NE ARG C 83 58.395 -1.929 11.552 1.00 0.00 N ATOM 1263 CZ ARG C 83 59.488 -1.764 12.289 1.00 0.00 C ATOM 1264 NH1 ARG C 83 60.642 -2.186 11.849 1.00 0.00 N ATOM 1265 NH2 ARG C 83 59.409 -1.178 13.452 1.00 0.00 N ATOM 0 H ARG C 83 55.605 -3.327 7.561 1.00 0.00 H new ATOM 0 HA ARG C 83 54.420 -3.021 10.093 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.547 -1.408 8.606 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.173 -1.184 10.303 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.635 -3.668 10.668 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.156 -3.772 8.998 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.165 -3.407 10.279 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.820 -1.877 9.499 1.00 0.00 H new ATOM 0 HE ARG C 83 57.498 -1.595 11.904 1.00 0.00 H new ATOM 0 HH11 ARG C 83 60.705 -2.643 10.939 1.00 0.00 H new ATOM 0 HH12 ARG C 83 61.481 -2.059 12.415 1.00 0.00 H new ATOM 0 HH21 ARG C 83 58.508 -0.846 13.796 1.00 0.00 H new ATOM 0 HH22 ARG C 83 60.248 -1.052 14.017 1.00 0.00 H new ATOM 1279 N CYS C 84 53.645 -0.747 7.871 1.00 0.00 N ATOM 1280 CA CYS C 84 52.768 0.388 7.610 1.00 0.00 C ATOM 1281 C CYS C 84 51.527 -0.058 6.844 1.00 0.00 C ATOM 1282 O CYS C 84 51.091 0.610 5.906 1.00 0.00 O ATOM 1283 CB CYS C 84 53.516 1.450 6.800 1.00 0.00 C ATOM 1284 SG CYS C 84 54.845 2.152 7.808 1.00 0.00 S ATOM 0 H CYS C 84 54.110 -1.124 7.045 1.00 0.00 H new ATOM 0 HA CYS C 84 52.458 0.811 8.566 1.00 0.00 H new ATOM 0 HB2 CYS C 84 53.928 1.008 5.893 1.00 0.00 H new ATOM 0 HB3 CYS C 84 52.828 2.236 6.488 1.00 0.00 H new ATOM 0 HG CYS C 84 55.482 3.052 7.120 1.00 0.00 H new ATOM 1290 N MET C 85 50.963 -1.191 7.250 1.00 0.00 N ATOM 1291 CA MET C 85 49.771 -1.717 6.595 1.00 0.00 C ATOM 1292 C MET C 85 48.631 -0.707 6.665 1.00 0.00 C ATOM 1293 O MET C 85 48.318 -0.040 5.679 1.00 0.00 O ATOM 1294 CB MET C 85 49.341 -3.024 7.265 1.00 0.00 C ATOM 1295 CG MET C 85 49.522 -2.905 8.779 1.00 0.00 C ATOM 1296 SD MET C 85 48.030 -3.500 9.613 1.00 0.00 S ATOM 1297 CE MET C 85 48.310 -5.268 9.346 1.00 0.00 C ATOM 0 H MET C 85 51.309 -1.759 8.024 1.00 0.00 H new ATOM 0 HA MET C 85 50.008 -1.907 5.548 1.00 0.00 H new ATOM 0 HB2 MET C 85 48.299 -3.241 7.029 1.00 0.00 H new ATOM 0 HB3 MET C 85 49.934 -3.854 6.881 1.00 0.00 H new ATOM 0 HG2 MET C 85 50.387 -3.486 9.099 1.00 0.00 H new ATOM 0 HG3 MET C 85 49.715 -1.868 9.053 1.00 0.00 H new ATOM 0 HE1 MET C 85 47.541 -5.841 9.864 1.00 0.00 H new ATOM 0 HE2 MET C 85 48.268 -5.486 8.279 1.00 0.00 H new ATOM 0 HE3 MET C 85 49.291 -5.544 9.734 1.00 0.00 H new ATOM 1307 N LYS C 86 48.013 -0.600 7.837 1.00 0.00 N ATOM 1308 CA LYS C 86 46.907 0.332 8.024 1.00 0.00 C ATOM 1309 C LYS C 86 47.069 1.100 9.332 1.00 0.00 C ATOM 1310 O LYS C 86 47.561 0.560 10.323 1.00 0.00 O ATOM 1311 CB LYS C 86 45.579 -0.428 8.038 1.00 0.00 C ATOM 1312 CG LYS C 86 45.501 -1.342 6.814 1.00 0.00 C ATOM 1313 CD LYS C 86 45.272 -0.497 5.559 1.00 0.00 C ATOM 1314 CE LYS C 86 44.688 -1.376 4.451 1.00 0.00 C ATOM 1315 NZ LYS C 86 44.799 -0.667 3.145 1.00 0.00 N ATOM 0 H LYS C 86 48.257 -1.143 8.666 1.00 0.00 H new ATOM 0 HA LYS C 86 46.911 1.041 7.196 1.00 0.00 H new ATOM 0 HB2 LYS C 86 45.495 -1.017 8.951 1.00 0.00 H new ATOM 0 HB3 LYS C 86 44.746 0.275 8.034 1.00 0.00 H new ATOM 0 HG2 LYS C 86 46.423 -1.915 6.716 1.00 0.00 H new ATOM 0 HG3 LYS C 86 44.690 -2.060 6.935 1.00 0.00 H new ATOM 0 HD2 LYS C 86 44.593 0.326 5.781 1.00 0.00 H new ATOM 0 HD3 LYS C 86 46.212 -0.054 5.229 1.00 0.00 H new ATOM 0 HE2 LYS C 86 45.220 -2.326 4.407 1.00 0.00 H new ATOM 0 HE3 LYS C 86 43.644 -1.605 4.665 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 44.402 -1.264 2.391 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 44.273 0.229 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 45.800 -0.471 2.941 1.00 0.00 H new ATOM 1329 N ASP C 87 46.653 2.362 9.327 1.00 0.00 N ATOM 1330 CA ASP C 87 46.757 3.196 10.519 1.00 0.00 C ATOM 1331 C ASP C 87 45.520 3.033 11.396 1.00 0.00 C ATOM 1332 O ASP C 87 44.404 3.336 10.974 1.00 0.00 O ATOM 1333 CB ASP C 87 46.912 4.664 10.118 1.00 0.00 C ATOM 1334 CG ASP C 87 48.213 4.860 9.348 1.00 0.00 C ATOM 1335 OD1 ASP C 87 49.037 3.961 9.377 1.00 0.00 O ATOM 1336 OD2 ASP C 87 48.367 5.907 8.741 1.00 0.00 O ATOM 0 H ASP C 87 46.243 2.827 8.517 1.00 0.00 H new ATOM 0 HA ASP C 87 47.634 2.881 11.085 1.00 0.00 H new ATOM 0 HB2 ASP C 87 46.066 4.973 9.504 1.00 0.00 H new ATOM 0 HB3 ASP C 87 46.907 5.295 11.007 1.00 0.00 H new ATOM 1341 N ASP C 88 45.726 2.553 12.618 1.00 0.00 N ATOM 1342 CA ASP C 88 44.620 2.355 13.547 1.00 0.00 C ATOM 1343 C ASP C 88 45.112 2.417 14.989 1.00 0.00 C ATOM 1344 O ASP C 88 44.618 1.696 15.856 1.00 0.00 O ATOM 1345 CB ASP C 88 43.959 0.999 13.290 1.00 0.00 C ATOM 1346 CG ASP C 88 43.369 0.965 11.884 1.00 0.00 C ATOM 1347 OD1 ASP C 88 42.698 1.917 11.521 1.00 0.00 O ATOM 1348 OD2 ASP C 88 43.598 -0.013 11.191 1.00 0.00 O ATOM 0 H ASP C 88 46.642 2.296 12.986 1.00 0.00 H new ATOM 0 HA ASP C 88 43.892 3.151 13.389 1.00 0.00 H new ATOM 0 HB2 ASP C 88 44.692 0.200 13.405 1.00 0.00 H new ATOM 0 HB3 ASP C 88 43.175 0.822 14.027 1.00 0.00 H new ATOM 1353 N SER C 89 46.089 3.284 15.238 1.00 0.00 N ATOM 1354 CA SER C 89 46.641 3.432 16.580 1.00 0.00 C ATOM 1355 C SER C 89 45.994 4.612 17.298 1.00 0.00 C ATOM 1356 O SER C 89 45.573 4.434 18.429 1.00 0.00 O ATOM 1357 CB SER C 89 48.153 3.647 16.501 1.00 0.00 C ATOM 1358 OG SER C 89 48.673 2.918 15.397 1.00 0.00 O ATOM 1359 OXT SER C 89 45.930 5.677 16.706 1.00 0.00 O ATOM 0 H SER C 89 46.512 3.890 14.535 1.00 0.00 H new ATOM 0 HA SER C 89 46.432 2.521 17.141 1.00 0.00 H new ATOM 0 HB2 SER C 89 48.376 4.708 16.389 1.00 0.00 H new ATOM 0 HB3 SER C 89 48.628 3.318 17.425 1.00 0.00 H new ATOM 0 HG SER C 89 49.642 3.055 15.342 1.00 0.00 H new ATOM 1430 N ASP I 119 50.291 3.584 2.509 1.00 0.00 N ATOM 1431 CA ASP I 119 49.148 3.954 1.682 1.00 0.00 C ATOM 1432 C ASP I 119 49.481 5.168 0.820 1.00 0.00 C ATOM 1433 O ASP I 119 49.126 5.221 -0.357 1.00 0.00 O ATOM 1434 CB ASP I 119 47.942 4.271 2.569 1.00 0.00 C ATOM 1435 CG ASP I 119 47.494 3.015 3.309 1.00 0.00 C ATOM 1436 OD1 ASP I 119 47.937 1.942 2.935 1.00 0.00 O ATOM 1437 OD2 ASP I 119 46.715 3.145 4.238 1.00 0.00 O ATOM 0 HA ASP I 119 48.908 3.114 1.030 1.00 0.00 H new ATOM 0 HB2 ASP I 119 48.201 5.051 3.284 1.00 0.00 H new ATOM 0 HB3 ASP I 119 47.124 4.656 1.960 1.00 0.00 H new ATOM 1442 N ALA I 120 50.164 6.140 1.415 1.00 0.00 N ATOM 1443 CA ALA I 120 50.540 7.349 0.692 1.00 0.00 C ATOM 1444 C ALA I 120 51.577 7.031 -0.381 1.00 0.00 C ATOM 1445 O ALA I 120 51.406 7.384 -1.548 1.00 0.00 O ATOM 1446 CB ALA I 120 51.109 8.384 1.664 1.00 0.00 C ATOM 0 H ALA I 120 50.467 6.115 2.389 1.00 0.00 H new ATOM 0 HA ALA I 120 49.649 7.754 0.212 1.00 0.00 H new ATOM 0 HB1 ALA I 120 51.387 9.284 1.115 1.00 0.00 H new ATOM 0 HB2 ALA I 120 50.356 8.633 2.412 1.00 0.00 H new ATOM 0 HB3 ALA I 120 51.990 7.974 2.158 1.00 0.00 H new ATOM 1452 N MET I 121 52.653 6.363 0.023 1.00 0.00 N ATOM 1453 CA MET I 121 53.712 6.002 -0.913 1.00 0.00 C ATOM 1454 C MET I 121 53.138 5.237 -2.101 1.00 0.00 C ATOM 1455 O MET I 121 53.728 5.217 -3.182 1.00 0.00 O ATOM 1456 CB MET I 121 54.762 5.141 -0.208 1.00 0.00 C ATOM 1457 CG MET I 121 55.972 4.958 -1.125 1.00 0.00 C ATOM 1458 SD MET I 121 57.035 3.650 -0.467 1.00 0.00 S ATOM 1459 CE MET I 121 55.961 2.254 -0.883 1.00 0.00 C ATOM 0 H MET I 121 52.814 6.063 0.984 1.00 0.00 H new ATOM 0 HA MET I 121 54.178 6.918 -1.276 1.00 0.00 H new ATOM 0 HB2 MET I 121 55.068 5.614 0.725 1.00 0.00 H new ATOM 0 HB3 MET I 121 54.338 4.171 0.050 1.00 0.00 H new ATOM 0 HG2 MET I 121 55.643 4.702 -2.132 1.00 0.00 H new ATOM 0 HG3 MET I 121 56.530 5.892 -1.200 1.00 0.00 H new ATOM 0 HE1 MET I 121 56.568 1.361 -1.037 1.00 0.00 H new ATOM 0 HE2 MET I 121 55.259 2.080 -0.068 1.00 0.00 H new ATOM 0 HE3 MET I 121 55.409 2.479 -1.796 1.00 0.00 H new ATOM 1469 N LEU I 122 51.985 4.611 -1.894 1.00 0.00 N ATOM 1470 CA LEU I 122 51.340 3.847 -2.957 1.00 0.00 C ATOM 1471 C LEU I 122 50.536 4.770 -3.867 1.00 0.00 C ATOM 1472 O LEU I 122 50.247 4.429 -5.014 1.00 0.00 O ATOM 1473 CB LEU I 122 50.415 2.790 -2.352 1.00 0.00 C ATOM 1474 CG LEU I 122 51.197 1.495 -2.127 1.00 0.00 C ATOM 1475 CD1 LEU I 122 52.614 1.829 -1.659 1.00 0.00 C ATOM 1476 CD2 LEU I 122 50.493 0.655 -1.059 1.00 0.00 C ATOM 0 H LEU I 122 51.480 4.616 -1.008 1.00 0.00 H new ATOM 0 HA LEU I 122 52.113 3.357 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU I 122 50.005 3.148 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU I 122 49.571 2.607 -3.017 1.00 0.00 H new ATOM 0 HG LEU I 122 51.246 0.933 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU I 122 53.171 0.906 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU I 122 53.116 2.429 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU I 122 52.566 2.391 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU I 122 51.049 -0.268 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU I 122 50.445 1.218 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU I 122 49.483 0.417 -1.391 1.00 0.00 H new