USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 847 hydrogens (9 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: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 SER OG : rot -110:sc= -0.682 USER MOD Set 2.1: A 17 LYS NZ :NH3+ 146:sc= 1.96 (180deg=0.895) USER MOD Set 2.2: A 18 ASN : amide:sc= -0.786 K(o=1.2,f=-4.3!) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.221 USER MOD Set 3.2: A 16 GLN : amide:sc= 0.185 X(o=0.41,f=0.63) USER MOD Single : A 1 MET CE :methyl -142:sc= -0.263 (180deg=-1.26) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 1.19 (180deg=1.06) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= 0.373 (180deg=0.263) USER MOD Single : A 35 CYS SG : rot 21:sc= 0.0861 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0.819 (180deg=0.745) USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -1.2 (180deg=-1.57) USER MOD Single : A 45 MET CE :methyl 168:sc= -1.62 (180deg=-1.92) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -4.22! C(o=-4.2!,f=-10!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.839 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -142:sc= -0.359 (180deg=-0.684) USER MOD Single : A 69 SER OG : rot -86:sc= 1.04 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 174:sc= -0.178 (180deg=-0.273) USER MOD Single : A 81 MET CE :methyl -146:sc= -0.669 (180deg=-2.97!) USER MOD Single : A 84 CYS SG : rot 78:sc= 0.971 USER MOD Single : A 86 LYS NZ :NH3+ -156:sc= 1.11 (180deg=0.736) USER MOD Single : A 91 SXK OAB : rot 144:sc= 0.0159 USER MOD Single : B 149 SER OG : rot 180:sc= 0.0133 USER MOD Single : B 153 MET CE :methyl 170:sc= -0.489 (180deg=-0.872) USER MOD Single : B 154 MET CE :methyl -177:sc= 0 (180deg=-0.00452) USER MOD Single : B 155 GLN : amide:sc=-0.00804 X(o=-0.008,f=-0.008) USER MOD Single : B 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 76.469 16.442 10.954 1.00 0.00 N ATOM 2 CA MET A 1 76.425 15.209 10.108 1.00 0.00 C ATOM 3 C MET A 1 75.969 14.004 10.946 1.00 0.00 C ATOM 4 O MET A 1 76.676 13.549 11.825 1.00 0.00 O ATOM 5 CB MET A 1 77.863 15.012 9.607 1.00 0.00 C ATOM 6 CG MET A 1 77.959 13.721 8.784 1.00 0.00 C ATOM 7 SD MET A 1 76.901 13.856 7.319 1.00 0.00 S ATOM 8 CE MET A 1 75.856 12.414 7.648 1.00 0.00 C ATOM 0 H1 MET A 1 76.779 17.249 10.376 1.00 0.00 H new ATOM 0 H2 MET A 1 75.521 16.634 11.337 1.00 0.00 H new ATOM 0 H3 MET A 1 77.138 16.301 11.738 1.00 0.00 H new ATOM 0 HA MET A 1 75.720 15.302 9.282 1.00 0.00 H new ATOM 0 HB2 MET A 1 78.165 15.864 8.998 1.00 0.00 H new ATOM 0 HB3 MET A 1 78.549 14.966 10.453 1.00 0.00 H new ATOM 0 HG2 MET A 1 78.992 13.545 8.484 1.00 0.00 H new ATOM 0 HG3 MET A 1 77.653 12.868 9.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 75.633 11.905 6.710 1.00 0.00 H new ATOM 0 HE2 MET A 1 76.379 11.730 8.317 1.00 0.00 H new ATOM 0 HE3 MET A 1 74.926 12.738 8.115 1.00 0.00 H new ATOM 20 N ASP A 2 74.792 13.493 10.682 1.00 0.00 N ATOM 21 CA ASP A 2 74.279 12.321 11.462 1.00 0.00 C ATOM 22 C ASP A 2 73.202 11.569 10.662 1.00 0.00 C ATOM 23 O ASP A 2 72.721 12.047 9.651 1.00 0.00 O ATOM 24 CB ASP A 2 73.686 12.916 12.750 1.00 0.00 C ATOM 25 CG ASP A 2 72.793 14.117 12.419 1.00 0.00 C ATOM 26 OD1 ASP A 2 71.614 13.908 12.190 1.00 0.00 O ATOM 27 OD2 ASP A 2 73.306 15.226 12.403 1.00 0.00 O ATOM 0 H ASP A 2 74.161 13.837 9.958 1.00 0.00 H new ATOM 0 HA ASP A 2 75.067 11.600 11.677 1.00 0.00 H new ATOM 0 HB2 ASP A 2 73.107 12.157 13.276 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.489 13.225 13.419 1.00 0.00 H new ATOM 32 N ASP A 3 72.826 10.393 11.106 1.00 0.00 N ATOM 33 CA ASP A 3 71.784 9.607 10.371 1.00 0.00 C ATOM 34 C ASP A 3 70.492 9.517 11.190 1.00 0.00 C ATOM 35 O ASP A 3 70.340 8.661 12.043 1.00 0.00 O ATOM 36 CB ASP A 3 72.389 8.217 10.176 1.00 0.00 C ATOM 37 CG ASP A 3 72.250 7.798 8.711 1.00 0.00 C ATOM 38 OD1 ASP A 3 71.134 7.797 8.216 1.00 0.00 O ATOM 39 OD2 ASP A 3 73.262 7.482 8.109 1.00 0.00 O ATOM 0 H ASP A 3 73.195 9.944 11.944 1.00 0.00 H new ATOM 0 HA ASP A 3 71.522 10.076 9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 3 73.440 8.223 10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 3 71.885 7.496 10.820 1.00 0.00 H new ATOM 44 N ILE A 4 69.556 10.391 10.932 1.00 0.00 N ATOM 45 CA ILE A 4 68.263 10.357 11.690 1.00 0.00 C ATOM 46 C ILE A 4 67.308 9.313 11.086 1.00 0.00 C ATOM 47 O ILE A 4 66.486 8.743 11.780 1.00 0.00 O ATOM 48 CB ILE A 4 67.677 11.771 11.576 1.00 0.00 C ATOM 49 CG1 ILE A 4 67.436 12.127 10.103 1.00 0.00 C ATOM 50 CG2 ILE A 4 68.656 12.776 12.187 1.00 0.00 C ATOM 51 CD1 ILE A 4 65.934 12.102 9.813 1.00 0.00 C ATOM 0 H ILE A 4 69.627 11.128 10.230 1.00 0.00 H new ATOM 0 HA ILE A 4 68.413 10.073 12.732 1.00 0.00 H new ATOM 0 HB ILE A 4 66.728 11.807 12.110 1.00 0.00 H new ATOM 0 HG12 ILE A 4 67.843 13.114 9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 4 67.954 11.418 9.457 1.00 0.00 H new ATOM 0 HG21 ILE A 4 68.242 13.781 12.107 1.00 0.00 H new ATOM 0 HG22 ILE A 4 68.819 12.533 13.237 1.00 0.00 H new ATOM 0 HG23 ILE A 4 69.605 12.731 11.652 1.00 0.00 H new ATOM 0 HD11 ILE A 4 65.761 12.355 8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 4 65.541 11.106 10.015 1.00 0.00 H new ATOM 0 HD13 ILE A 4 65.428 12.828 10.450 1.00 0.00 H new ATOM 63 N TYR A 5 67.417 9.050 9.803 1.00 0.00 N ATOM 64 CA TYR A 5 66.524 8.034 9.163 1.00 0.00 C ATOM 65 C TYR A 5 66.934 6.629 9.611 1.00 0.00 C ATOM 66 O TYR A 5 66.099 5.802 9.928 1.00 0.00 O ATOM 67 CB TYR A 5 66.727 8.208 7.653 1.00 0.00 C ATOM 68 CG TYR A 5 65.782 9.271 7.147 1.00 0.00 C ATOM 69 CD1 TYR A 5 64.427 8.971 6.966 1.00 0.00 C ATOM 70 CD2 TYR A 5 66.257 10.558 6.870 1.00 0.00 C ATOM 71 CE1 TYR A 5 63.548 9.959 6.510 1.00 0.00 C ATOM 72 CE2 TYR A 5 65.377 11.545 6.411 1.00 0.00 C ATOM 73 CZ TYR A 5 64.023 11.245 6.232 1.00 0.00 C ATOM 74 OH TYR A 5 63.153 12.217 5.788 1.00 0.00 O ATOM 0 H TYR A 5 68.085 9.495 9.174 1.00 0.00 H new ATOM 0 HA TYR A 5 65.478 8.166 9.440 1.00 0.00 H new ATOM 0 HB2 TYR A 5 67.758 8.491 7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 5 66.543 7.265 7.138 1.00 0.00 H new ATOM 0 HD1 TYR A 5 64.060 7.978 7.178 1.00 0.00 H new ATOM 0 HD2 TYR A 5 67.302 10.790 7.010 1.00 0.00 H new ATOM 0 HE1 TYR A 5 62.502 9.729 6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 5 65.744 12.538 6.195 1.00 0.00 H new ATOM 0 HH TYR A 5 63.643 13.053 5.643 1.00 0.00 H new ATOM 84 N LYS A 6 68.217 6.361 9.657 1.00 0.00 N ATOM 85 CA LYS A 6 68.692 5.016 10.104 1.00 0.00 C ATOM 86 C LYS A 6 68.357 4.814 11.586 1.00 0.00 C ATOM 87 O LYS A 6 67.875 3.771 11.978 1.00 0.00 O ATOM 88 CB LYS A 6 70.208 5.025 9.884 1.00 0.00 C ATOM 89 CG LYS A 6 70.583 3.911 8.901 1.00 0.00 C ATOM 90 CD LYS A 6 71.793 4.344 8.068 1.00 0.00 C ATOM 91 CE LYS A 6 71.312 4.977 6.758 1.00 0.00 C ATOM 92 NZ LYS A 6 72.524 5.605 6.159 1.00 0.00 N ATOM 0 H LYS A 6 68.956 7.017 9.404 1.00 0.00 H new ATOM 0 HA LYS A 6 68.216 4.204 9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 6 70.525 5.992 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 6 70.726 4.879 10.832 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.813 2.995 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.739 3.690 8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 6 72.397 5.057 8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 6 72.429 3.484 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 6 70.887 4.227 6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 6 70.534 5.718 6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 72.256 6.130 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 72.952 6.258 6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 73.211 4.865 5.910 1.00 0.00 H new ATOM 106 N ALA A 7 68.591 5.814 12.408 1.00 0.00 N ATOM 107 CA ALA A 7 68.266 5.684 13.865 1.00 0.00 C ATOM 108 C ALA A 7 66.810 5.228 14.038 1.00 0.00 C ATOM 109 O ALA A 7 66.512 4.384 14.861 1.00 0.00 O ATOM 110 CB ALA A 7 68.467 7.086 14.451 1.00 0.00 C ATOM 0 H ALA A 7 68.992 6.711 12.132 1.00 0.00 H new ATOM 0 HA ALA A 7 68.894 4.947 14.365 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.247 7.069 15.518 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.500 7.399 14.298 1.00 0.00 H new ATOM 0 HB3 ALA A 7 67.798 7.788 13.953 1.00 0.00 H new ATOM 116 N ALA A 8 65.908 5.768 13.251 1.00 0.00 N ATOM 117 CA ALA A 8 64.470 5.360 13.349 1.00 0.00 C ATOM 118 C ALA A 8 64.313 3.856 13.068 1.00 0.00 C ATOM 119 O ALA A 8 63.456 3.199 13.628 1.00 0.00 O ATOM 120 CB ALA A 8 63.751 6.181 12.273 1.00 0.00 C ATOM 0 H ALA A 8 66.107 6.475 12.544 1.00 0.00 H new ATOM 0 HA ALA A 8 64.063 5.538 14.344 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.688 5.939 12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 8 63.883 7.244 12.478 1.00 0.00 H new ATOM 0 HB3 ALA A 8 64.170 5.945 11.295 1.00 0.00 H new ATOM 126 N VAL A 9 65.136 3.313 12.205 1.00 0.00 N ATOM 127 CA VAL A 9 65.049 1.854 11.876 1.00 0.00 C ATOM 128 C VAL A 9 65.833 1.020 12.905 1.00 0.00 C ATOM 129 O VAL A 9 65.431 -0.070 13.262 1.00 0.00 O ATOM 130 CB VAL A 9 65.690 1.727 10.484 1.00 0.00 C ATOM 131 CG1 VAL A 9 65.720 0.259 10.051 1.00 0.00 C ATOM 132 CG2 VAL A 9 64.884 2.534 9.464 1.00 0.00 C ATOM 0 H VAL A 9 65.870 3.820 11.710 1.00 0.00 H new ATOM 0 HA VAL A 9 64.022 1.489 11.894 1.00 0.00 H new ATOM 0 HB VAL A 9 66.709 2.112 10.533 1.00 0.00 H new ATOM 0 HG11 VAL A 9 66.176 0.180 9.064 1.00 0.00 H new ATOM 0 HG12 VAL A 9 66.303 -0.320 10.767 1.00 0.00 H new ATOM 0 HG13 VAL A 9 64.702 -0.130 10.013 1.00 0.00 H new ATOM 0 HG21 VAL A 9 65.344 2.440 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 9 63.863 2.155 9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.871 3.583 9.759 1.00 0.00 H new ATOM 142 N GLU A 10 66.957 1.517 13.361 1.00 0.00 N ATOM 143 CA GLU A 10 67.789 0.749 14.344 1.00 0.00 C ATOM 144 C GLU A 10 67.105 0.617 15.716 1.00 0.00 C ATOM 145 O GLU A 10 67.380 -0.314 16.449 1.00 0.00 O ATOM 146 CB GLU A 10 69.091 1.547 14.476 1.00 0.00 C ATOM 147 CG GLU A 10 70.143 0.983 13.513 1.00 0.00 C ATOM 148 CD GLU A 10 70.156 1.803 12.220 1.00 0.00 C ATOM 149 OE1 GLU A 10 70.869 2.792 12.178 1.00 0.00 O ATOM 150 OE2 GLU A 10 69.456 1.426 11.294 1.00 0.00 O ATOM 0 H GLU A 10 67.337 2.425 13.094 1.00 0.00 H new ATOM 0 HA GLU A 10 67.951 -0.272 13.997 1.00 0.00 H new ATOM 0 HB2 GLU A 10 68.908 2.599 14.255 1.00 0.00 H new ATOM 0 HB3 GLU A 10 69.458 1.496 15.501 1.00 0.00 H new ATOM 0 HG2 GLU A 10 71.127 1.008 13.980 1.00 0.00 H new ATOM 0 HG3 GLU A 10 69.923 -0.061 13.290 1.00 0.00 H new ATOM 157 N GLN A 11 66.235 1.527 16.088 1.00 0.00 N ATOM 158 CA GLN A 11 65.582 1.403 17.431 1.00 0.00 C ATOM 159 C GLN A 11 64.062 1.637 17.362 1.00 0.00 C ATOM 160 O GLN A 11 63.540 2.573 17.940 1.00 0.00 O ATOM 161 CB GLN A 11 66.269 2.443 18.325 1.00 0.00 C ATOM 162 CG GLN A 11 66.208 3.815 17.663 1.00 0.00 C ATOM 163 CD GLN A 11 66.098 4.906 18.732 1.00 0.00 C ATOM 164 OE1 GLN A 11 65.093 5.582 18.827 1.00 0.00 O ATOM 165 NE2 GLN A 11 67.096 5.111 19.547 1.00 0.00 N ATOM 0 H GLN A 11 65.953 2.335 15.533 1.00 0.00 H new ATOM 0 HA GLN A 11 65.697 0.394 17.827 1.00 0.00 H new ATOM 0 HB2 GLN A 11 65.781 2.477 19.299 1.00 0.00 H new ATOM 0 HB3 GLN A 11 67.307 2.158 18.498 1.00 0.00 H new ATOM 0 HG2 GLN A 11 67.100 3.976 17.057 1.00 0.00 H new ATOM 0 HG3 GLN A 11 65.352 3.866 16.990 1.00 0.00 H new ATOM 0 HE21 GLN A 11 67.941 4.546 19.470 1.00 0.00 H new ATOM 0 HE22 GLN A 11 67.031 5.837 20.261 1.00 0.00 H new ATOM 174 N LEU A 12 63.345 0.764 16.695 1.00 0.00 N ATOM 175 CA LEU A 12 61.854 0.906 16.629 1.00 0.00 C ATOM 176 C LEU A 12 61.198 -0.223 17.446 1.00 0.00 C ATOM 177 O LEU A 12 61.822 -1.226 17.741 1.00 0.00 O ATOM 178 CB LEU A 12 61.464 0.848 15.134 1.00 0.00 C ATOM 179 CG LEU A 12 61.961 -0.441 14.459 1.00 0.00 C ATOM 180 CD1 LEU A 12 61.018 -1.597 14.792 1.00 0.00 C ATOM 181 CD2 LEU A 12 61.980 -0.240 12.939 1.00 0.00 C ATOM 0 H LEU A 12 63.726 -0.039 16.194 1.00 0.00 H new ATOM 0 HA LEU A 12 61.510 1.848 17.056 1.00 0.00 H new ATOM 0 HB2 LEU A 12 60.380 0.912 15.039 1.00 0.00 H new ATOM 0 HB3 LEU A 12 61.881 1.712 14.617 1.00 0.00 H new ATOM 0 HG LEU A 12 62.963 -0.671 14.820 1.00 0.00 H new ATOM 0 HD11 LEU A 12 61.375 -2.508 14.311 1.00 0.00 H new ATOM 0 HD12 LEU A 12 60.990 -1.744 15.872 1.00 0.00 H new ATOM 0 HD13 LEU A 12 60.016 -1.365 14.431 1.00 0.00 H new ATOM 0 HD21 LEU A 12 62.332 -1.152 12.456 1.00 0.00 H new ATOM 0 HD22 LEU A 12 60.973 -0.009 12.590 1.00 0.00 H new ATOM 0 HD23 LEU A 12 62.648 0.584 12.689 1.00 0.00 H new ATOM 193 N THR A 13 59.958 -0.057 17.839 1.00 0.00 N ATOM 194 CA THR A 13 59.278 -1.114 18.666 1.00 0.00 C ATOM 195 C THR A 13 58.910 -2.333 17.822 1.00 0.00 C ATOM 196 O THR A 13 58.766 -2.251 16.616 1.00 0.00 O ATOM 197 CB THR A 13 58.013 -0.452 19.231 1.00 0.00 C ATOM 198 OG1 THR A 13 57.218 0.050 18.164 1.00 0.00 O ATOM 199 CG2 THR A 13 58.400 0.698 20.163 1.00 0.00 C ATOM 0 H THR A 13 59.386 0.760 17.626 1.00 0.00 H new ATOM 0 HA THR A 13 59.937 -1.475 19.456 1.00 0.00 H new ATOM 0 HB THR A 13 57.443 -1.193 19.791 1.00 0.00 H new ATOM 0 HG1 THR A 13 56.411 0.470 18.527 1.00 0.00 H new ATOM 0 HG21 THR A 13 57.498 1.163 20.560 1.00 0.00 H new ATOM 0 HG22 THR A 13 59.002 0.313 20.986 1.00 0.00 H new ATOM 0 HG23 THR A 13 58.976 1.438 19.608 1.00 0.00 H new ATOM 207 N GLU A 14 58.752 -3.467 18.462 1.00 0.00 N ATOM 208 CA GLU A 14 58.388 -4.714 17.722 1.00 0.00 C ATOM 209 C GLU A 14 57.136 -4.479 16.863 1.00 0.00 C ATOM 210 O GLU A 14 57.008 -5.012 15.776 1.00 0.00 O ATOM 211 CB GLU A 14 58.112 -5.759 18.811 1.00 0.00 C ATOM 212 CG GLU A 14 57.666 -7.077 18.166 1.00 0.00 C ATOM 213 CD GLU A 14 58.887 -7.954 17.887 1.00 0.00 C ATOM 214 OE1 GLU A 14 59.255 -8.717 18.763 1.00 0.00 O ATOM 215 OE2 GLU A 14 59.432 -7.848 16.800 1.00 0.00 O ATOM 0 H GLU A 14 58.860 -3.582 19.470 1.00 0.00 H new ATOM 0 HA GLU A 14 59.178 -5.036 17.043 1.00 0.00 H new ATOM 0 HB2 GLU A 14 59.010 -5.921 19.408 1.00 0.00 H new ATOM 0 HB3 GLU A 14 57.340 -5.396 19.489 1.00 0.00 H new ATOM 0 HG2 GLU A 14 56.974 -7.600 18.826 1.00 0.00 H new ATOM 0 HG3 GLU A 14 57.131 -6.876 17.238 1.00 0.00 H new ATOM 222 N GLU A 15 56.224 -3.673 17.343 1.00 0.00 N ATOM 223 CA GLU A 15 54.981 -3.379 16.565 1.00 0.00 C ATOM 224 C GLU A 15 55.349 -2.666 15.258 1.00 0.00 C ATOM 225 O GLU A 15 54.841 -2.992 14.203 1.00 0.00 O ATOM 226 CB GLU A 15 54.145 -2.456 17.462 1.00 0.00 C ATOM 227 CG GLU A 15 53.909 -3.121 18.825 1.00 0.00 C ATOM 228 CD GLU A 15 54.775 -2.441 19.891 1.00 0.00 C ATOM 229 OE1 GLU A 15 54.324 -1.457 20.453 1.00 0.00 O ATOM 230 OE2 GLU A 15 55.876 -2.915 20.123 1.00 0.00 O ATOM 0 H GLU A 15 56.287 -3.203 18.246 1.00 0.00 H new ATOM 0 HA GLU A 15 54.433 -4.284 16.302 1.00 0.00 H new ATOM 0 HB2 GLU A 15 54.658 -1.504 17.597 1.00 0.00 H new ATOM 0 HB3 GLU A 15 53.190 -2.238 16.984 1.00 0.00 H new ATOM 0 HG2 GLU A 15 52.856 -3.048 19.098 1.00 0.00 H new ATOM 0 HG3 GLU A 15 54.151 -4.182 18.769 1.00 0.00 H new ATOM 237 N GLN A 16 56.245 -1.706 15.328 1.00 0.00 N ATOM 238 CA GLN A 16 56.672 -0.971 14.095 1.00 0.00 C ATOM 239 C GLN A 16 57.247 -1.950 13.071 1.00 0.00 C ATOM 240 O GLN A 16 57.030 -1.828 11.884 1.00 0.00 O ATOM 241 CB GLN A 16 57.744 0.019 14.564 1.00 0.00 C ATOM 242 CG GLN A 16 57.276 1.452 14.289 1.00 0.00 C ATOM 243 CD GLN A 16 57.986 2.416 15.243 1.00 0.00 C ATOM 244 OE1 GLN A 16 58.816 3.198 14.829 1.00 0.00 O ATOM 245 NE2 GLN A 16 57.697 2.390 16.514 1.00 0.00 N ATOM 0 H GLN A 16 56.699 -1.401 16.189 1.00 0.00 H new ATOM 0 HA GLN A 16 55.840 -0.460 13.611 1.00 0.00 H new ATOM 0 HB2 GLN A 16 57.935 -0.114 15.629 1.00 0.00 H new ATOM 0 HB3 GLN A 16 58.683 -0.173 14.045 1.00 0.00 H new ATOM 0 HG2 GLN A 16 57.491 1.723 13.255 1.00 0.00 H new ATOM 0 HG3 GLN A 16 56.196 1.524 14.420 1.00 0.00 H new ATOM 0 HE21 GLN A 16 57.000 1.734 16.865 1.00 0.00 H new ATOM 0 HE22 GLN A 16 58.168 3.026 17.157 1.00 0.00 H new ATOM 254 N LYS A 17 57.964 -2.928 13.532 1.00 0.00 N ATOM 255 CA LYS A 17 58.549 -3.941 12.604 1.00 0.00 C ATOM 256 C LYS A 17 57.466 -4.944 12.170 1.00 0.00 C ATOM 257 O LYS A 17 57.475 -5.433 11.056 1.00 0.00 O ATOM 258 CB LYS A 17 59.645 -4.634 13.420 1.00 0.00 C ATOM 259 CG LYS A 17 60.317 -5.722 12.579 1.00 0.00 C ATOM 260 CD LYS A 17 60.333 -7.029 13.373 1.00 0.00 C ATOM 261 CE LYS A 17 59.082 -7.850 13.044 1.00 0.00 C ATOM 262 NZ LYS A 17 58.888 -8.739 14.226 1.00 0.00 N ATOM 0 H LYS A 17 58.175 -3.076 14.519 1.00 0.00 H new ATOM 0 HA LYS A 17 58.947 -3.496 11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 17 60.386 -3.903 13.743 1.00 0.00 H new ATOM 0 HB3 LYS A 17 59.216 -5.073 14.321 1.00 0.00 H new ATOM 0 HG2 LYS A 17 59.779 -5.858 11.641 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.334 -5.425 12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.229 -7.601 13.132 1.00 0.00 H new ATOM 0 HD3 LYS A 17 60.369 -6.816 14.441 1.00 0.00 H new ATOM 0 HE2 LYS A 17 58.216 -7.206 12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 17 59.218 -8.430 12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 57.871 -8.886 14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 59.346 -9.656 14.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 59.311 -8.296 15.067 1.00 0.00 H new ATOM 276 N ASN A 18 56.533 -5.248 13.044 1.00 0.00 N ATOM 277 CA ASN A 18 55.445 -6.216 12.691 1.00 0.00 C ATOM 278 C ASN A 18 54.507 -5.621 11.631 1.00 0.00 C ATOM 279 O ASN A 18 54.171 -6.277 10.663 1.00 0.00 O ATOM 280 CB ASN A 18 54.684 -6.473 13.997 1.00 0.00 C ATOM 281 CG ASN A 18 55.376 -7.584 14.795 1.00 0.00 C ATOM 282 OD1 ASN A 18 56.033 -8.438 14.234 1.00 0.00 O ATOM 283 ND2 ASN A 18 55.253 -7.609 16.092 1.00 0.00 N ATOM 0 H ASN A 18 56.479 -4.866 13.988 1.00 0.00 H new ATOM 0 HA ASN A 18 55.850 -7.136 12.269 1.00 0.00 H new ATOM 0 HB2 ASN A 18 54.643 -5.559 14.590 1.00 0.00 H new ATOM 0 HB3 ASN A 18 53.655 -6.758 13.778 1.00 0.00 H new ATOM 0 HD21 ASN A 18 55.708 -8.344 16.633 1.00 0.00 H new ATOM 0 HD22 ASN A 18 54.702 -6.893 16.566 1.00 0.00 H new ATOM 290 N GLU A 19 54.081 -4.388 11.799 1.00 0.00 N ATOM 291 CA GLU A 19 53.165 -3.772 10.781 1.00 0.00 C ATOM 292 C GLU A 19 53.856 -3.723 9.409 1.00 0.00 C ATOM 293 O GLU A 19 53.227 -3.918 8.384 1.00 0.00 O ATOM 294 CB GLU A 19 52.840 -2.359 11.294 1.00 0.00 C ATOM 295 CG GLU A 19 54.117 -1.520 11.398 1.00 0.00 C ATOM 296 CD GLU A 19 53.804 -0.185 12.079 1.00 0.00 C ATOM 297 OE1 GLU A 19 53.541 -0.194 13.272 1.00 0.00 O ATOM 298 OE2 GLU A 19 53.834 0.825 11.397 1.00 0.00 O ATOM 0 H GLU A 19 54.324 -3.788 12.587 1.00 0.00 H new ATOM 0 HA GLU A 19 52.252 -4.354 10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 19 52.133 -1.875 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 19 52.358 -2.422 12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 19 54.873 -2.061 11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 19 54.530 -1.344 10.405 1.00 0.00 H new ATOM 305 N PHE A 20 55.146 -3.489 9.383 1.00 0.00 N ATOM 306 CA PHE A 20 55.880 -3.453 8.080 1.00 0.00 C ATOM 307 C PHE A 20 56.115 -4.883 7.572 1.00 0.00 C ATOM 308 O PHE A 20 56.118 -5.128 6.381 1.00 0.00 O ATOM 309 CB PHE A 20 57.210 -2.744 8.378 1.00 0.00 C ATOM 310 CG PHE A 20 56.963 -1.277 8.685 1.00 0.00 C ATOM 311 CD1 PHE A 20 55.836 -0.620 8.160 1.00 0.00 C ATOM 312 CD2 PHE A 20 57.865 -0.571 9.497 1.00 0.00 C ATOM 313 CE1 PHE A 20 55.614 0.730 8.448 1.00 0.00 C ATOM 314 CE2 PHE A 20 57.639 0.782 9.782 1.00 0.00 C ATOM 315 CZ PHE A 20 56.514 1.431 9.259 1.00 0.00 C ATOM 0 H PHE A 20 55.722 -3.321 10.208 1.00 0.00 H new ATOM 0 HA PHE A 20 55.321 -2.931 7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.704 -3.222 9.224 1.00 0.00 H new ATOM 0 HB3 PHE A 20 57.880 -2.837 7.523 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.141 -1.159 7.533 1.00 0.00 H new ATOM 0 HD2 PHE A 20 58.733 -1.071 9.902 1.00 0.00 H new ATOM 0 HE1 PHE A 20 54.747 1.232 8.044 1.00 0.00 H new ATOM 0 HE2 PHE A 20 58.333 1.325 10.406 1.00 0.00 H new ATOM 0 HZ PHE A 20 56.341 2.473 9.482 1.00 0.00 H new ATOM 325 N LYS A 21 56.289 -5.828 8.467 1.00 0.00 N ATOM 326 CA LYS A 21 56.500 -7.249 8.042 1.00 0.00 C ATOM 327 C LYS A 21 55.272 -7.742 7.257 1.00 0.00 C ATOM 328 O LYS A 21 55.401 -8.325 6.199 1.00 0.00 O ATOM 329 CB LYS A 21 56.683 -8.027 9.358 1.00 0.00 C ATOM 330 CG LYS A 21 56.199 -9.476 9.209 1.00 0.00 C ATOM 331 CD LYS A 21 57.257 -10.298 8.468 1.00 0.00 C ATOM 332 CE LYS A 21 57.162 -11.766 8.899 1.00 0.00 C ATOM 333 NZ LYS A 21 56.326 -12.424 7.855 1.00 0.00 N ATOM 0 H LYS A 21 56.294 -5.675 9.476 1.00 0.00 H new ATOM 0 HA LYS A 21 57.359 -7.378 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 21 57.734 -8.018 9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 21 56.128 -7.534 10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 21 56.009 -9.909 10.191 1.00 0.00 H new ATOM 0 HG3 LYS A 21 55.256 -9.501 8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 21 57.109 -10.214 7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 21 58.252 -9.909 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 21 58.149 -12.224 8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 21 56.707 -11.859 9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 56.396 -13.457 7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 55.334 -12.132 7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 56.663 -12.143 6.912 1.00 0.00 H new ATOM 347 N ALA A 22 54.084 -7.498 7.764 1.00 0.00 N ATOM 348 CA ALA A 22 52.848 -7.939 7.040 1.00 0.00 C ATOM 349 C ALA A 22 52.769 -7.246 5.673 1.00 0.00 C ATOM 350 O ALA A 22 52.592 -7.889 4.656 1.00 0.00 O ATOM 351 CB ALA A 22 51.682 -7.513 7.935 1.00 0.00 C ATOM 0 H ALA A 22 53.918 -7.013 8.646 1.00 0.00 H new ATOM 0 HA ALA A 22 52.836 -9.013 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 22 50.741 -7.803 7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 22 51.772 -8.000 8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 22 51.702 -6.431 8.069 1.00 0.00 H new ATOM 357 N ALA A 23 52.920 -5.942 5.644 1.00 0.00 N ATOM 358 CA ALA A 23 52.878 -5.205 4.341 1.00 0.00 C ATOM 359 C ALA A 23 53.979 -5.738 3.410 1.00 0.00 C ATOM 360 O ALA A 23 53.770 -5.919 2.225 1.00 0.00 O ATOM 361 CB ALA A 23 53.137 -3.739 4.703 1.00 0.00 C ATOM 0 H ALA A 23 53.070 -5.357 6.466 1.00 0.00 H new ATOM 0 HA ALA A 23 51.928 -5.328 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.122 -3.132 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.362 -3.391 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.111 -3.649 5.183 1.00 0.00 H new ATOM 367 N PHE A 24 55.142 -6.004 3.955 1.00 0.00 N ATOM 368 CA PHE A 24 56.274 -6.544 3.136 1.00 0.00 C ATOM 369 C PHE A 24 55.912 -7.937 2.598 1.00 0.00 C ATOM 370 O PHE A 24 56.142 -8.238 1.444 1.00 0.00 O ATOM 371 CB PHE A 24 57.452 -6.619 4.117 1.00 0.00 C ATOM 372 CG PHE A 24 58.725 -7.018 3.401 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.406 -6.086 2.608 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.234 -8.315 3.549 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.595 -6.451 1.964 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.421 -8.680 2.902 1.00 0.00 C ATOM 377 CZ PHE A 24 61.102 -7.747 2.110 1.00 0.00 C ATOM 0 H PHE A 24 55.357 -5.869 4.943 1.00 0.00 H new ATOM 0 HA PHE A 24 56.506 -5.926 2.268 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.590 -5.652 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.231 -7.341 4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.014 -5.086 2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.711 -9.034 4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.121 -5.731 1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.811 -9.681 3.014 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.018 -8.028 1.612 1.00 0.00 H new ATOM 387 N ASP A 25 55.338 -8.781 3.426 1.00 0.00 N ATOM 388 CA ASP A 25 54.947 -10.155 2.971 1.00 0.00 C ATOM 389 C ASP A 25 54.007 -10.073 1.759 1.00 0.00 C ATOM 390 O ASP A 25 54.184 -10.775 0.781 1.00 0.00 O ATOM 391 CB ASP A 25 54.231 -10.785 4.171 1.00 0.00 C ATOM 392 CG ASP A 25 55.218 -11.638 4.972 1.00 0.00 C ATOM 393 OD1 ASP A 25 56.263 -11.123 5.336 1.00 0.00 O ATOM 394 OD2 ASP A 25 54.911 -12.792 5.212 1.00 0.00 O ATOM 0 H ASP A 25 55.123 -8.575 4.402 1.00 0.00 H new ATOM 0 HA ASP A 25 55.809 -10.744 2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 25 53.811 -10.005 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 25 53.399 -11.400 3.828 1.00 0.00 H new ATOM 399 N ILE A 26 53.020 -9.211 1.806 1.00 0.00 N ATOM 400 CA ILE A 26 52.086 -9.078 0.642 1.00 0.00 C ATOM 401 C ILE A 26 52.822 -8.416 -0.534 1.00 0.00 C ATOM 402 O ILE A 26 52.552 -8.701 -1.683 1.00 0.00 O ATOM 403 CB ILE A 26 50.927 -8.200 1.137 1.00 0.00 C ATOM 404 CG1 ILE A 26 50.194 -8.909 2.284 1.00 0.00 C ATOM 405 CG2 ILE A 26 49.941 -7.959 -0.010 1.00 0.00 C ATOM 406 CD1 ILE A 26 49.856 -7.897 3.383 1.00 0.00 C ATOM 0 H ILE A 26 52.821 -8.596 2.595 1.00 0.00 H new ATOM 0 HA ILE A 26 51.719 -10.042 0.289 1.00 0.00 H new ATOM 0 HB ILE A 26 51.325 -7.248 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 26 49.282 -9.375 1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 26 50.817 -9.706 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.119 -7.336 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.453 -7.455 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 26 49.549 -8.914 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 26 49.336 -8.403 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 26 50.775 -7.451 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.216 -7.115 2.974 1.00 0.00 H new ATOM 418 N PHE A 27 53.762 -7.545 -0.255 1.00 0.00 N ATOM 419 CA PHE A 27 54.524 -6.883 -1.359 1.00 0.00 C ATOM 420 C PHE A 27 55.533 -7.860 -1.988 1.00 0.00 C ATOM 421 O PHE A 27 55.957 -7.676 -3.112 1.00 0.00 O ATOM 422 CB PHE A 27 55.265 -5.712 -0.704 1.00 0.00 C ATOM 423 CG PHE A 27 54.734 -4.406 -1.248 1.00 0.00 C ATOM 424 CD1 PHE A 27 54.880 -4.101 -2.608 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.098 -3.499 -0.393 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.389 -2.891 -3.111 1.00 0.00 C ATOM 427 CE2 PHE A 27 53.608 -2.287 -0.896 1.00 0.00 C ATOM 428 CZ PHE A 27 53.754 -1.984 -2.255 1.00 0.00 C ATOM 0 H PHE A 27 54.034 -7.265 0.687 1.00 0.00 H new ATOM 0 HA PHE A 27 53.860 -6.552 -2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.135 -5.746 0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.334 -5.791 -0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.372 -4.800 -3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 27 53.985 -3.734 0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.500 -2.657 -4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.118 -1.587 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.376 -1.050 -2.643 1.00 0.00 H new ATOM 438 N VAL A 28 55.931 -8.889 -1.270 1.00 0.00 N ATOM 439 CA VAL A 28 56.925 -9.859 -1.838 1.00 0.00 C ATOM 440 C VAL A 28 56.270 -11.207 -2.202 1.00 0.00 C ATOM 441 O VAL A 28 56.964 -12.162 -2.501 1.00 0.00 O ATOM 442 CB VAL A 28 57.998 -10.062 -0.749 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.532 -8.710 -0.266 1.00 0.00 C ATOM 444 CG2 VAL A 28 57.408 -10.827 0.441 1.00 0.00 C ATOM 0 H VAL A 28 55.613 -9.097 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 28 57.351 -9.468 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 28 58.817 -10.638 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.288 -8.871 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 28 58.975 -8.173 -1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 28 57.713 -8.122 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.176 -10.964 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 28 56.577 -10.261 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.051 -11.801 0.107 1.00 0.00 H new ATOM 454 N LEU A 29 54.953 -11.305 -2.194 1.00 0.00 N ATOM 455 CA LEU A 29 54.304 -12.611 -2.561 1.00 0.00 C ATOM 456 C LEU A 29 54.760 -13.030 -3.966 1.00 0.00 C ATOM 457 O LEU A 29 54.867 -12.213 -4.862 1.00 0.00 O ATOM 458 CB LEU A 29 52.780 -12.379 -2.496 1.00 0.00 C ATOM 459 CG LEU A 29 52.332 -11.316 -3.510 1.00 0.00 C ATOM 460 CD1 LEU A 29 52.071 -11.969 -4.871 1.00 0.00 C ATOM 461 CD2 LEU A 29 51.039 -10.664 -3.013 1.00 0.00 C ATOM 0 H LEU A 29 54.311 -10.550 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 29 54.584 -13.416 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 29 52.259 -13.316 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 29 52.501 -12.065 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 29 53.116 -10.566 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 29 51.754 -11.209 -5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 29 52.985 -12.443 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 29 51.288 -12.721 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 29 50.715 -9.908 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 29 50.264 -11.424 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 29 51.217 -10.195 -2.045 1.00 0.00 H new ATOM 473 N GLY A 30 55.077 -14.285 -4.153 1.00 0.00 N ATOM 474 CA GLY A 30 55.574 -14.740 -5.488 1.00 0.00 C ATOM 475 C GLY A 30 57.100 -14.610 -5.497 1.00 0.00 C ATOM 476 O GLY A 30 57.809 -15.538 -5.831 1.00 0.00 O ATOM 0 H GLY A 30 55.014 -15.013 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 30 55.279 -15.773 -5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 30 55.136 -14.137 -6.283 1.00 0.00 H new ATOM 480 N ALA A 31 57.606 -13.465 -5.101 1.00 0.00 N ATOM 481 CA ALA A 31 59.083 -13.266 -5.047 1.00 0.00 C ATOM 482 C ALA A 31 59.592 -13.719 -3.669 1.00 0.00 C ATOM 483 O ALA A 31 60.025 -12.923 -2.855 1.00 0.00 O ATOM 484 CB ALA A 31 59.291 -11.758 -5.248 1.00 0.00 C ATOM 0 H ALA A 31 57.053 -12.658 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 31 59.624 -13.838 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.357 -11.531 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 31 58.881 -11.460 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.783 -11.212 -4.453 1.00 0.00 H new ATOM 490 N GLU A 32 59.518 -15.002 -3.403 1.00 0.00 N ATOM 491 CA GLU A 32 59.966 -15.543 -2.076 1.00 0.00 C ATOM 492 C GLU A 32 61.465 -15.289 -1.821 1.00 0.00 C ATOM 493 O GLU A 32 61.941 -15.477 -0.718 1.00 0.00 O ATOM 494 CB GLU A 32 59.676 -17.047 -2.146 1.00 0.00 C ATOM 495 CG GLU A 32 58.294 -17.334 -1.543 1.00 0.00 C ATOM 496 CD GLU A 32 57.200 -16.695 -2.407 1.00 0.00 C ATOM 497 OE1 GLU A 32 56.849 -17.285 -3.415 1.00 0.00 O ATOM 498 OE2 GLU A 32 56.732 -15.628 -2.044 1.00 0.00 O ATOM 0 H GLU A 32 59.164 -15.704 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 32 59.444 -15.053 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 32 59.710 -17.386 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 32 60.442 -17.601 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.134 -18.410 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 32 58.243 -16.941 -0.528 1.00 0.00 H new ATOM 505 N ASP A 33 62.208 -14.858 -2.819 1.00 0.00 N ATOM 506 CA ASP A 33 63.670 -14.585 -2.618 1.00 0.00 C ATOM 507 C ASP A 33 63.883 -13.639 -1.421 1.00 0.00 C ATOM 508 O ASP A 33 64.844 -13.764 -0.685 1.00 0.00 O ATOM 509 CB ASP A 33 64.128 -13.919 -3.921 1.00 0.00 C ATOM 510 CG ASP A 33 65.656 -13.885 -3.975 1.00 0.00 C ATOM 511 OD1 ASP A 33 66.239 -14.892 -4.343 1.00 0.00 O ATOM 512 OD2 ASP A 33 66.216 -12.853 -3.647 1.00 0.00 O ATOM 0 H ASP A 33 61.864 -14.684 -3.763 1.00 0.00 H new ATOM 0 HA ASP A 33 64.233 -15.493 -2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 33 63.737 -14.467 -4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 33 63.730 -12.906 -3.982 1.00 0.00 H new ATOM 517 N GLY A 34 62.986 -12.700 -1.221 1.00 0.00 N ATOM 518 CA GLY A 34 63.122 -11.751 -0.071 1.00 0.00 C ATOM 519 C GLY A 34 63.524 -10.360 -0.575 1.00 0.00 C ATOM 520 O GLY A 34 64.246 -9.640 0.087 1.00 0.00 O ATOM 0 H GLY A 34 62.164 -12.551 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 34 62.179 -11.690 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 34 63.870 -12.122 0.629 1.00 0.00 H new ATOM 524 N CYS A 35 63.056 -9.972 -1.736 1.00 0.00 N ATOM 525 CA CYS A 35 63.406 -8.624 -2.279 1.00 0.00 C ATOM 526 C CYS A 35 62.214 -8.035 -3.043 1.00 0.00 C ATOM 527 O CYS A 35 61.345 -8.750 -3.507 1.00 0.00 O ATOM 528 CB CYS A 35 64.594 -8.860 -3.220 1.00 0.00 C ATOM 529 SG CYS A 35 64.108 -9.975 -4.564 1.00 0.00 S ATOM 0 H CYS A 35 62.446 -10.532 -2.331 1.00 0.00 H new ATOM 0 HA CYS A 35 63.656 -7.915 -1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.938 -7.911 -3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 35 65.429 -9.288 -2.665 1.00 0.00 H new ATOM 0 HG CYS A 35 62.814 -9.969 -4.686 1.00 0.00 H new ATOM 535 N ILE A 36 62.168 -6.735 -3.174 1.00 0.00 N ATOM 536 CA ILE A 36 61.037 -6.088 -3.905 1.00 0.00 C ATOM 537 C ILE A 36 61.575 -5.270 -5.084 1.00 0.00 C ATOM 538 O ILE A 36 62.323 -4.325 -4.907 1.00 0.00 O ATOM 539 CB ILE A 36 60.352 -5.180 -2.871 1.00 0.00 C ATOM 540 CG1 ILE A 36 59.431 -6.024 -1.985 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.518 -4.103 -3.581 1.00 0.00 C ATOM 542 CD1 ILE A 36 59.167 -5.283 -0.671 1.00 0.00 C ATOM 0 H ILE A 36 62.867 -6.091 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 36 60.339 -6.816 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 36 61.117 -4.698 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.491 -6.218 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.890 -6.992 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 36 59.038 -3.466 -2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 36 60.168 -3.497 -4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.756 -4.580 -4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.512 -5.883 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 36 60.111 -5.112 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.690 -4.326 -0.882 1.00 0.00 H new ATOM 554 N SER A 37 61.188 -5.621 -6.282 1.00 0.00 N ATOM 555 CA SER A 37 61.658 -4.857 -7.476 1.00 0.00 C ATOM 556 C SER A 37 60.555 -3.902 -7.943 1.00 0.00 C ATOM 557 O SER A 37 59.403 -4.042 -7.574 1.00 0.00 O ATOM 558 CB SER A 37 61.955 -5.909 -8.545 1.00 0.00 C ATOM 559 OG SER A 37 63.100 -5.509 -9.288 1.00 0.00 O ATOM 0 H SER A 37 60.567 -6.404 -6.486 1.00 0.00 H new ATOM 0 HA SER A 37 62.539 -4.253 -7.262 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.129 -6.879 -8.079 1.00 0.00 H new ATOM 0 HB3 SER A 37 61.098 -6.023 -9.208 1.00 0.00 H new ATOM 0 HG SER A 37 63.296 -6.181 -9.974 1.00 0.00 H new ATOM 565 N THR A 38 60.897 -2.931 -8.747 1.00 0.00 N ATOM 566 CA THR A 38 59.867 -1.958 -9.239 1.00 0.00 C ATOM 567 C THR A 38 58.825 -2.670 -10.110 1.00 0.00 C ATOM 568 O THR A 38 57.662 -2.310 -10.110 1.00 0.00 O ATOM 569 CB THR A 38 60.645 -0.922 -10.050 1.00 0.00 C ATOM 570 OG1 THR A 38 61.340 -1.567 -11.110 1.00 0.00 O ATOM 571 CG2 THR A 38 61.648 -0.219 -9.136 1.00 0.00 C ATOM 0 H THR A 38 61.844 -2.766 -9.087 1.00 0.00 H new ATOM 0 HA THR A 38 59.318 -1.495 -8.419 1.00 0.00 H new ATOM 0 HB THR A 38 59.952 -0.191 -10.467 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.836 -0.900 -11.629 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.206 0.521 -9.709 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.115 0.277 -8.324 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.339 -0.953 -8.721 1.00 0.00 H new ATOM 579 N LYS A 39 59.228 -3.689 -10.833 1.00 0.00 N ATOM 580 CA LYS A 39 58.252 -4.441 -11.682 1.00 0.00 C ATOM 581 C LYS A 39 57.161 -5.052 -10.789 1.00 0.00 C ATOM 582 O LYS A 39 56.009 -5.128 -11.169 1.00 0.00 O ATOM 583 CB LYS A 39 59.076 -5.531 -12.377 1.00 0.00 C ATOM 584 CG LYS A 39 59.953 -4.893 -13.460 1.00 0.00 C ATOM 585 CD LYS A 39 60.632 -5.989 -14.288 1.00 0.00 C ATOM 586 CE LYS A 39 60.311 -5.792 -15.773 1.00 0.00 C ATOM 587 NZ LYS A 39 61.148 -4.635 -16.212 1.00 0.00 N ATOM 0 H LYS A 39 60.188 -4.031 -10.871 1.00 0.00 H new ATOM 0 HA LYS A 39 57.749 -3.806 -12.411 1.00 0.00 H new ATOM 0 HB2 LYS A 39 59.699 -6.051 -11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 39 58.415 -6.275 -12.821 1.00 0.00 H new ATOM 0 HG2 LYS A 39 59.346 -4.259 -14.106 1.00 0.00 H new ATOM 0 HG3 LYS A 39 60.706 -4.252 -13.001 1.00 0.00 H new ATOM 0 HD2 LYS A 39 61.710 -5.959 -14.133 1.00 0.00 H new ATOM 0 HD3 LYS A 39 60.290 -6.970 -13.960 1.00 0.00 H new ATOM 0 HE2 LYS A 39 60.547 -6.688 -16.348 1.00 0.00 H new ATOM 0 HE3 LYS A 39 59.251 -5.588 -15.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 61.109 -4.551 -17.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 60.786 -3.761 -15.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 62.133 -4.786 -15.914 1.00 0.00 H new ATOM 601 N GLU A 40 57.517 -5.460 -9.592 1.00 0.00 N ATOM 602 CA GLU A 40 56.504 -6.035 -8.651 1.00 0.00 C ATOM 603 C GLU A 40 55.779 -4.898 -7.917 1.00 0.00 C ATOM 604 O GLU A 40 54.622 -5.018 -7.562 1.00 0.00 O ATOM 605 CB GLU A 40 57.302 -6.892 -7.661 1.00 0.00 C ATOM 606 CG GLU A 40 57.783 -8.173 -8.353 1.00 0.00 C ATOM 607 CD GLU A 40 59.266 -8.041 -8.703 1.00 0.00 C ATOM 608 OE1 GLU A 40 60.085 -8.251 -7.822 1.00 0.00 O ATOM 609 OE2 GLU A 40 59.558 -7.731 -9.845 1.00 0.00 O ATOM 0 H GLU A 40 58.468 -5.419 -9.227 1.00 0.00 H new ATOM 0 HA GLU A 40 55.748 -6.625 -9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.156 -6.329 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.681 -7.143 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.628 -9.032 -7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.200 -8.351 -9.257 1.00 0.00 H new ATOM 616 N LEU A 41 56.452 -3.791 -7.696 1.00 0.00 N ATOM 617 CA LEU A 41 55.812 -2.634 -6.995 1.00 0.00 C ATOM 618 C LEU A 41 54.624 -2.103 -7.812 1.00 0.00 C ATOM 619 O LEU A 41 53.603 -1.734 -7.262 1.00 0.00 O ATOM 620 CB LEU A 41 56.918 -1.568 -6.894 1.00 0.00 C ATOM 621 CG LEU A 41 56.305 -0.165 -6.792 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.432 -0.060 -5.539 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.426 0.870 -6.721 1.00 0.00 C ATOM 0 H LEU A 41 57.422 -3.641 -7.973 1.00 0.00 H new ATOM 0 HA LEU A 41 55.421 -2.912 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.541 -1.763 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.567 -1.625 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 41 55.686 0.020 -7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.003 0.940 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.630 -0.797 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 41 56.041 -0.248 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 41 56.995 1.869 -6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 41 58.044 0.677 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 41 58.040 0.804 -7.619 1.00 0.00 H new ATOM 635 N GLY A 42 54.762 -2.047 -9.116 1.00 0.00 N ATOM 636 CA GLY A 42 53.658 -1.522 -9.977 1.00 0.00 C ATOM 637 C GLY A 42 52.345 -2.267 -9.696 1.00 0.00 C ATOM 638 O GLY A 42 51.282 -1.678 -9.724 1.00 0.00 O ATOM 0 H GLY A 42 55.597 -2.344 -9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.523 -0.456 -9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.926 -1.633 -11.028 1.00 0.00 H new ATOM 642 N LYS A 43 52.409 -3.552 -9.423 1.00 0.00 N ATOM 643 CA LYS A 43 51.156 -4.328 -9.134 1.00 0.00 C ATOM 644 C LYS A 43 50.369 -3.675 -7.984 1.00 0.00 C ATOM 645 O LYS A 43 49.152 -3.682 -7.976 1.00 0.00 O ATOM 646 CB LYS A 43 51.628 -5.734 -8.745 1.00 0.00 C ATOM 647 CG LYS A 43 51.440 -6.683 -9.935 1.00 0.00 C ATOM 648 CD LYS A 43 52.638 -7.634 -10.033 1.00 0.00 C ATOM 649 CE LYS A 43 53.770 -6.954 -10.808 1.00 0.00 C ATOM 650 NZ LYS A 43 54.871 -7.961 -10.863 1.00 0.00 N ATOM 0 H LYS A 43 53.272 -4.095 -9.388 1.00 0.00 H new ATOM 0 HA LYS A 43 50.486 -4.354 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 43 52.677 -5.708 -8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 43 51.063 -6.094 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.519 -7.254 -9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 43 51.342 -6.110 -10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 43 52.980 -7.908 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 43 52.343 -8.556 -10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.446 -6.671 -11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 43 54.096 -6.042 -10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 55.769 -7.482 -11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 54.948 -8.442 -9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 54.665 -8.661 -11.604 1.00 0.00 H new ATOM 664 N VAL A 44 51.054 -3.098 -7.026 1.00 0.00 N ATOM 665 CA VAL A 44 50.349 -2.423 -5.890 1.00 0.00 C ATOM 666 C VAL A 44 50.167 -0.930 -6.210 1.00 0.00 C ATOM 667 O VAL A 44 49.158 -0.337 -5.878 1.00 0.00 O ATOM 668 CB VAL A 44 51.264 -2.618 -4.674 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.812 -1.705 -3.529 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.191 -4.075 -4.210 1.00 0.00 C ATOM 0 H VAL A 44 52.073 -3.065 -6.982 1.00 0.00 H new ATOM 0 HA VAL A 44 49.356 -2.834 -5.708 1.00 0.00 H new ATOM 0 HB VAL A 44 52.287 -2.369 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.466 -1.849 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.861 -0.665 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.787 -1.951 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 44 51.841 -4.215 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.165 -4.318 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 44 51.516 -4.731 -5.018 1.00 0.00 H new ATOM 680 N MET A 45 51.136 -0.325 -6.859 1.00 0.00 N ATOM 681 CA MET A 45 51.030 1.128 -7.215 1.00 0.00 C ATOM 682 C MET A 45 49.787 1.388 -8.079 1.00 0.00 C ATOM 683 O MET A 45 49.125 2.399 -7.931 1.00 0.00 O ATOM 684 CB MET A 45 52.301 1.440 -8.009 1.00 0.00 C ATOM 685 CG MET A 45 53.411 1.888 -7.057 1.00 0.00 C ATOM 686 SD MET A 45 53.562 3.690 -7.111 1.00 0.00 S ATOM 687 CE MET A 45 54.032 3.922 -5.381 1.00 0.00 C ATOM 0 H MET A 45 52.000 -0.778 -7.159 1.00 0.00 H new ATOM 0 HA MET A 45 50.934 1.754 -6.328 1.00 0.00 H new ATOM 0 HB2 MET A 45 52.620 0.558 -8.564 1.00 0.00 H new ATOM 0 HB3 MET A 45 52.100 2.222 -8.741 1.00 0.00 H new ATOM 0 HG2 MET A 45 53.187 1.562 -6.041 1.00 0.00 H new ATOM 0 HG3 MET A 45 54.356 1.425 -7.340 1.00 0.00 H new ATOM 0 HE1 MET A 45 54.385 4.943 -5.234 1.00 0.00 H new ATOM 0 HE2 MET A 45 53.168 3.741 -4.742 1.00 0.00 H new ATOM 0 HE3 MET A 45 54.827 3.222 -5.123 1.00 0.00 H new ATOM 697 N ARG A 46 49.465 0.487 -8.979 1.00 0.00 N ATOM 698 CA ARG A 46 48.261 0.690 -9.849 1.00 0.00 C ATOM 699 C ARG A 46 46.975 0.718 -9.008 1.00 0.00 C ATOM 700 O ARG A 46 45.978 1.287 -9.411 1.00 0.00 O ATOM 701 CB ARG A 46 48.257 -0.490 -10.833 1.00 0.00 C ATOM 702 CG ARG A 46 47.878 -1.789 -10.110 1.00 0.00 C ATOM 703 CD ARG A 46 47.401 -2.825 -11.133 1.00 0.00 C ATOM 704 NE ARG A 46 47.632 -4.149 -10.481 1.00 0.00 N ATOM 705 CZ ARG A 46 47.220 -5.241 -11.057 1.00 0.00 C ATOM 706 NH1 ARG A 46 46.017 -5.682 -10.828 1.00 0.00 N ATOM 707 NH2 ARG A 46 48.013 -5.894 -11.857 1.00 0.00 N ATOM 0 H ARG A 46 49.981 -0.376 -9.148 1.00 0.00 H new ATOM 0 HA ARG A 46 48.300 1.644 -10.374 1.00 0.00 H new ATOM 0 HB2 ARG A 46 47.550 -0.296 -11.640 1.00 0.00 H new ATOM 0 HB3 ARG A 46 49.241 -0.594 -11.289 1.00 0.00 H new ATOM 0 HG2 ARG A 46 48.736 -2.175 -9.560 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.092 -1.595 -9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 46 46.348 -2.683 -11.376 1.00 0.00 H new ATOM 0 HD3 ARG A 46 47.957 -2.743 -12.067 1.00 0.00 H new ATOM 0 HE ARG A 46 48.113 -4.197 -9.583 1.00 0.00 H new ATOM 0 HH11 ARG A 46 45.398 -5.172 -10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 46 45.693 -6.538 -11.279 1.00 0.00 H new ATOM 0 HH21 ARG A 46 48.957 -5.550 -12.032 1.00 0.00 H new ATOM 0 HH22 ARG A 46 47.690 -6.750 -12.308 1.00 0.00 H new ATOM 721 N MET A 47 46.996 0.121 -7.841 1.00 0.00 N ATOM 722 CA MET A 47 45.781 0.125 -6.970 1.00 0.00 C ATOM 723 C MET A 47 45.683 1.443 -6.176 1.00 0.00 C ATOM 724 O MET A 47 44.771 1.629 -5.392 1.00 0.00 O ATOM 725 CB MET A 47 45.973 -1.061 -6.018 1.00 0.00 C ATOM 726 CG MET A 47 44.610 -1.570 -5.543 1.00 0.00 C ATOM 727 SD MET A 47 44.834 -3.109 -4.613 1.00 0.00 S ATOM 728 CE MET A 47 44.637 -2.411 -2.955 1.00 0.00 C ATOM 0 H MET A 47 47.803 -0.369 -7.455 1.00 0.00 H new ATOM 0 HA MET A 47 44.863 0.043 -7.551 1.00 0.00 H new ATOM 0 HB2 MET A 47 46.514 -1.861 -6.523 1.00 0.00 H new ATOM 0 HB3 MET A 47 46.577 -0.758 -5.162 1.00 0.00 H new ATOM 0 HG2 MET A 47 44.128 -0.820 -4.916 1.00 0.00 H new ATOM 0 HG3 MET A 47 43.955 -1.740 -6.397 1.00 0.00 H new ATOM 0 HE1 MET A 47 44.740 -3.202 -2.212 1.00 0.00 H new ATOM 0 HE2 MET A 47 45.402 -1.653 -2.786 1.00 0.00 H new ATOM 0 HE3 MET A 47 43.650 -1.957 -2.866 1.00 0.00 H new ATOM 738 N LEU A 48 46.610 2.357 -6.369 1.00 0.00 N ATOM 739 CA LEU A 48 46.560 3.650 -5.619 1.00 0.00 C ATOM 740 C LEU A 48 46.736 4.847 -6.569 1.00 0.00 C ATOM 741 O LEU A 48 45.962 5.782 -6.537 1.00 0.00 O ATOM 742 CB LEU A 48 47.724 3.581 -4.626 1.00 0.00 C ATOM 743 CG LEU A 48 47.351 2.674 -3.451 1.00 0.00 C ATOM 744 CD1 LEU A 48 48.606 2.355 -2.637 1.00 0.00 C ATOM 745 CD2 LEU A 48 46.334 3.386 -2.553 1.00 0.00 C ATOM 0 H LEU A 48 47.395 2.260 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 48 45.600 3.789 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 48 48.616 3.199 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 48 47.964 4.580 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 48 46.915 1.751 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 48 48.342 1.709 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 48 49.332 1.848 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 48 49.039 3.281 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 48 46.070 2.738 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 48 46.769 4.310 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 48 45.438 3.617 -3.130 1.00 0.00 H new ATOM 757 N GLY A 49 47.753 4.835 -7.401 1.00 0.00 N ATOM 758 CA GLY A 49 47.971 5.990 -8.329 1.00 0.00 C ATOM 759 C GLY A 49 48.060 5.516 -9.784 1.00 0.00 C ATOM 760 O GLY A 49 48.834 6.047 -10.554 1.00 0.00 O ATOM 0 H GLY A 49 48.436 4.081 -7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 49 47.154 6.704 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 49 48.888 6.512 -8.056 1.00 0.00 H new ATOM 764 N GLN A 50 47.263 4.537 -10.164 1.00 0.00 N ATOM 765 CA GLN A 50 47.262 4.013 -11.582 1.00 0.00 C ATOM 766 C GLN A 50 48.580 3.296 -11.948 1.00 0.00 C ATOM 767 O GLN A 50 48.553 2.200 -12.470 1.00 0.00 O ATOM 768 CB GLN A 50 47.041 5.232 -12.492 1.00 0.00 C ATOM 769 CG GLN A 50 45.680 5.870 -12.188 1.00 0.00 C ATOM 770 CD GLN A 50 45.780 7.391 -12.336 1.00 0.00 C ATOM 771 OE1 GLN A 50 45.458 7.935 -13.373 1.00 0.00 O ATOM 772 NE2 GLN A 50 46.214 8.107 -11.337 1.00 0.00 N ATOM 0 H GLN A 50 46.602 4.070 -9.544 1.00 0.00 H new ATOM 0 HA GLN A 50 46.477 3.267 -11.703 1.00 0.00 H new ATOM 0 HB2 GLN A 50 47.837 5.961 -12.338 1.00 0.00 H new ATOM 0 HB3 GLN A 50 47.085 4.929 -13.538 1.00 0.00 H new ATOM 0 HG2 GLN A 50 44.923 5.478 -12.867 1.00 0.00 H new ATOM 0 HG3 GLN A 50 45.364 5.613 -11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 50 46.485 7.654 -10.465 1.00 0.00 H new ATOM 0 HE22 GLN A 50 46.282 9.121 -11.428 1.00 0.00 H new ATOM 781 N ASN A 51 49.720 3.911 -11.699 1.00 0.00 N ATOM 782 CA ASN A 51 51.043 3.284 -12.044 1.00 0.00 C ATOM 783 C ASN A 51 51.185 3.127 -13.568 1.00 0.00 C ATOM 784 O ASN A 51 50.628 2.217 -14.155 1.00 0.00 O ATOM 785 CB ASN A 51 51.071 1.919 -11.342 1.00 0.00 C ATOM 786 CG ASN A 51 52.440 1.269 -11.551 1.00 0.00 C ATOM 787 OD1 ASN A 51 53.353 1.493 -10.786 1.00 0.00 O ATOM 788 ND2 ASN A 51 52.625 0.471 -12.565 1.00 0.00 N ATOM 0 H ASN A 51 49.789 4.832 -11.266 1.00 0.00 H new ATOM 0 HA ASN A 51 51.876 3.906 -11.715 1.00 0.00 H new ATOM 0 HB2 ASN A 51 50.873 2.041 -10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 51 50.286 1.276 -11.741 1.00 0.00 H new ATOM 0 HD21 ASN A 51 53.536 0.037 -12.713 1.00 0.00 H new ATOM 0 HD22 ASN A 51 51.859 0.281 -13.211 1.00 0.00 H new ATOM 795 N PRO A 52 51.930 4.032 -14.158 1.00 0.00 N ATOM 796 CA PRO A 52 52.146 4.005 -15.628 1.00 0.00 C ATOM 797 C PRO A 52 53.121 2.887 -16.033 1.00 0.00 C ATOM 798 O PRO A 52 52.818 2.080 -16.890 1.00 0.00 O ATOM 799 CB PRO A 52 52.731 5.383 -15.929 1.00 0.00 C ATOM 800 CG PRO A 52 53.359 5.836 -14.650 1.00 0.00 C ATOM 801 CD PRO A 52 52.633 5.153 -13.518 1.00 0.00 C ATOM 0 HA PRO A 52 51.230 3.802 -16.183 1.00 0.00 H new ATOM 0 HB2 PRO A 52 53.467 5.331 -16.731 1.00 0.00 H new ATOM 0 HB3 PRO A 52 51.955 6.077 -16.253 1.00 0.00 H new ATOM 0 HG2 PRO A 52 54.419 5.583 -14.633 1.00 0.00 H new ATOM 0 HG3 PRO A 52 53.289 6.919 -14.552 1.00 0.00 H new ATOM 0 HD2 PRO A 52 53.328 4.803 -12.755 1.00 0.00 H new ATOM 0 HD3 PRO A 52 51.935 5.831 -13.027 1.00 0.00 H new ATOM 809 N THR A 53 54.287 2.834 -15.433 1.00 0.00 N ATOM 810 CA THR A 53 55.272 1.765 -15.803 1.00 0.00 C ATOM 811 C THR A 53 56.148 1.382 -14.602 1.00 0.00 C ATOM 812 O THR A 53 56.373 2.182 -13.713 1.00 0.00 O ATOM 813 CB THR A 53 56.132 2.357 -16.937 1.00 0.00 C ATOM 814 OG1 THR A 53 57.361 1.646 -17.029 1.00 0.00 O ATOM 815 CG2 THR A 53 56.430 3.839 -16.678 1.00 0.00 C ATOM 0 H THR A 53 54.599 3.480 -14.708 1.00 0.00 H new ATOM 0 HA THR A 53 54.764 0.854 -16.119 1.00 0.00 H new ATOM 0 HB THR A 53 55.576 2.265 -17.870 1.00 0.00 H new ATOM 0 HG1 THR A 53 57.904 2.024 -17.752 1.00 0.00 H new ATOM 0 HG21 THR A 53 57.038 4.235 -17.491 1.00 0.00 H new ATOM 0 HG22 THR A 53 55.494 4.394 -16.621 1.00 0.00 H new ATOM 0 HG23 THR A 53 56.970 3.942 -15.737 1.00 0.00 H new ATOM 823 N PRO A 54 56.619 0.157 -14.629 1.00 0.00 N ATOM 824 CA PRO A 54 57.492 -0.358 -13.540 1.00 0.00 C ATOM 825 C PRO A 54 58.885 0.290 -13.608 1.00 0.00 C ATOM 826 O PRO A 54 59.498 0.567 -12.594 1.00 0.00 O ATOM 827 CB PRO A 54 57.567 -1.858 -13.823 1.00 0.00 C ATOM 828 CG PRO A 54 57.295 -1.993 -15.288 1.00 0.00 C ATOM 829 CD PRO A 54 56.386 -0.855 -15.672 1.00 0.00 C ATOM 0 HA PRO A 54 57.110 -0.136 -12.543 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.547 -2.259 -13.566 1.00 0.00 H new ATOM 0 HB3 PRO A 54 56.833 -2.407 -13.234 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.223 -1.955 -15.858 1.00 0.00 H new ATOM 0 HG3 PRO A 54 56.826 -2.952 -15.507 1.00 0.00 H new ATOM 0 HD2 PRO A 54 56.627 -0.469 -16.663 1.00 0.00 H new ATOM 0 HD3 PRO A 54 55.343 -1.169 -15.697 1.00 0.00 H new ATOM 837 N GLU A 55 59.385 0.536 -14.797 1.00 0.00 N ATOM 838 CA GLU A 55 60.738 1.168 -14.941 1.00 0.00 C ATOM 839 C GLU A 55 60.739 2.598 -14.380 1.00 0.00 C ATOM 840 O GLU A 55 61.754 3.091 -13.928 1.00 0.00 O ATOM 841 CB GLU A 55 61.018 1.172 -16.443 1.00 0.00 C ATOM 842 CG GLU A 55 61.844 -0.067 -16.802 1.00 0.00 C ATOM 843 CD GLU A 55 60.992 -1.330 -16.636 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.989 -1.882 -15.547 1.00 0.00 O ATOM 845 OE2 GLU A 55 60.359 -1.727 -17.599 1.00 0.00 O ATOM 0 H GLU A 55 58.913 0.326 -15.677 1.00 0.00 H new ATOM 0 HA GLU A 55 61.502 0.623 -14.386 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.081 1.174 -17.000 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.557 2.077 -16.723 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.201 0.009 -17.829 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.724 -0.125 -16.162 1.00 0.00 H new ATOM 852 N GLU A 56 59.609 3.264 -14.392 1.00 0.00 N ATOM 853 CA GLU A 56 59.548 4.656 -13.843 1.00 0.00 C ATOM 854 C GLU A 56 59.781 4.640 -12.321 1.00 0.00 C ATOM 855 O GLU A 56 60.303 5.583 -11.757 1.00 0.00 O ATOM 856 CB GLU A 56 58.134 5.151 -14.169 1.00 0.00 C ATOM 857 CG GLU A 56 57.943 6.575 -13.636 1.00 0.00 C ATOM 858 CD GLU A 56 56.450 6.895 -13.556 1.00 0.00 C ATOM 859 OE1 GLU A 56 55.814 6.437 -12.620 1.00 0.00 O ATOM 860 OE2 GLU A 56 55.967 7.594 -14.431 1.00 0.00 O ATOM 0 H GLU A 56 58.727 2.904 -14.758 1.00 0.00 H new ATOM 0 HA GLU A 56 60.313 5.303 -14.272 1.00 0.00 H new ATOM 0 HB2 GLU A 56 57.972 5.132 -15.247 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.395 4.485 -13.724 1.00 0.00 H new ATOM 0 HG2 GLU A 56 58.399 6.670 -12.651 1.00 0.00 H new ATOM 0 HG3 GLU A 56 58.444 7.289 -14.289 1.00 0.00 H new ATOM 867 N LEU A 57 59.400 3.575 -11.656 1.00 0.00 N ATOM 868 CA LEU A 57 59.595 3.496 -10.175 1.00 0.00 C ATOM 869 C LEU A 57 61.043 3.106 -9.818 1.00 0.00 C ATOM 870 O LEU A 57 61.430 3.158 -8.666 1.00 0.00 O ATOM 871 CB LEU A 57 58.620 2.410 -9.703 1.00 0.00 C ATOM 872 CG LEU A 57 57.189 2.754 -10.140 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.300 1.516 -9.997 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.637 3.877 -9.259 1.00 0.00 C ATOM 0 H LEU A 57 58.962 2.756 -12.077 1.00 0.00 H new ATOM 0 HA LEU A 57 59.411 4.458 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 57 58.912 1.445 -10.117 1.00 0.00 H new ATOM 0 HB3 LEU A 57 58.664 2.318 -8.618 1.00 0.00 H new ATOM 0 HG LEU A 57 57.199 3.080 -11.180 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.284 1.760 -10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 57 56.689 0.714 -10.625 1.00 0.00 H new ATOM 0 HD13 LEU A 57 56.294 1.191 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.621 4.119 -9.572 1.00 0.00 H new ATOM 0 HD22 LEU A 57 56.629 3.552 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 57 57.267 4.761 -9.358 1.00 0.00 H new ATOM 886 N GLN A 58 61.845 2.713 -10.787 1.00 0.00 N ATOM 887 CA GLN A 58 63.261 2.320 -10.486 1.00 0.00 C ATOM 888 C GLN A 58 63.993 3.475 -9.783 1.00 0.00 C ATOM 889 O GLN A 58 64.717 3.262 -8.829 1.00 0.00 O ATOM 890 CB GLN A 58 63.879 1.965 -11.857 1.00 0.00 C ATOM 891 CG GLN A 58 65.163 2.763 -12.125 1.00 0.00 C ATOM 892 CD GLN A 58 66.227 1.835 -12.715 1.00 0.00 C ATOM 893 OE1 GLN A 58 66.299 1.659 -13.914 1.00 0.00 O ATOM 894 NE2 GLN A 58 67.062 1.230 -11.918 1.00 0.00 N ATOM 0 H GLN A 58 61.579 2.648 -11.769 1.00 0.00 H new ATOM 0 HA GLN A 58 63.334 1.473 -9.804 1.00 0.00 H new ATOM 0 HB2 GLN A 58 64.100 0.898 -11.891 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.154 2.166 -12.646 1.00 0.00 H new ATOM 0 HG2 GLN A 58 64.957 3.582 -12.814 1.00 0.00 H new ATOM 0 HG3 GLN A 58 65.527 3.209 -11.199 1.00 0.00 H new ATOM 0 HE21 GLN A 58 67.003 1.377 -10.910 1.00 0.00 H new ATOM 0 HE22 GLN A 58 67.775 0.610 -12.302 1.00 0.00 H new ATOM 903 N GLU A 59 63.795 4.692 -10.232 1.00 0.00 N ATOM 904 CA GLU A 59 64.469 5.856 -9.572 1.00 0.00 C ATOM 905 C GLU A 59 64.061 5.931 -8.093 1.00 0.00 C ATOM 906 O GLU A 59 64.856 6.274 -7.239 1.00 0.00 O ATOM 907 CB GLU A 59 63.976 7.089 -10.333 1.00 0.00 C ATOM 908 CG GLU A 59 64.817 8.306 -9.935 1.00 0.00 C ATOM 909 CD GLU A 59 64.908 9.276 -11.115 1.00 0.00 C ATOM 910 OE1 GLU A 59 65.735 9.047 -11.982 1.00 0.00 O ATOM 911 OE2 GLU A 59 64.150 10.231 -11.130 1.00 0.00 O ATOM 0 H GLU A 59 63.198 4.929 -11.024 1.00 0.00 H new ATOM 0 HA GLU A 59 65.556 5.775 -9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 59 64.048 6.919 -11.407 1.00 0.00 H new ATOM 0 HB3 GLU A 59 62.925 7.271 -10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 59 64.369 8.805 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 59 65.815 7.988 -9.635 1.00 0.00 H new ATOM 918 N MET A 60 62.827 5.597 -7.790 1.00 0.00 N ATOM 919 CA MET A 60 62.357 5.629 -6.368 1.00 0.00 C ATOM 920 C MET A 60 63.216 4.689 -5.510 1.00 0.00 C ATOM 921 O MET A 60 63.664 5.055 -4.440 1.00 0.00 O ATOM 922 CB MET A 60 60.902 5.144 -6.416 1.00 0.00 C ATOM 923 CG MET A 60 60.065 5.913 -5.390 1.00 0.00 C ATOM 924 SD MET A 60 59.145 7.230 -6.226 1.00 0.00 S ATOM 925 CE MET A 60 57.734 6.225 -6.754 1.00 0.00 C ATOM 0 H MET A 60 62.124 5.303 -8.469 1.00 0.00 H new ATOM 0 HA MET A 60 62.435 6.623 -5.927 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.493 5.290 -7.416 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.858 4.075 -6.207 1.00 0.00 H new ATOM 0 HG2 MET A 60 59.375 5.236 -4.887 1.00 0.00 H new ATOM 0 HG3 MET A 60 60.712 6.338 -4.622 1.00 0.00 H new ATOM 0 HE1 MET A 60 57.415 6.539 -7.748 1.00 0.00 H new ATOM 0 HE2 MET A 60 58.025 5.175 -6.781 1.00 0.00 H new ATOM 0 HE3 MET A 60 56.911 6.355 -6.051 1.00 0.00 H new ATOM 935 N ILE A 61 63.461 3.487 -5.978 1.00 0.00 N ATOM 936 CA ILE A 61 64.306 2.534 -5.192 1.00 0.00 C ATOM 937 C ILE A 61 65.777 2.979 -5.246 1.00 0.00 C ATOM 938 O ILE A 61 66.475 2.936 -4.252 1.00 0.00 O ATOM 939 CB ILE A 61 64.100 1.156 -5.851 1.00 0.00 C ATOM 940 CG1 ILE A 61 62.939 0.440 -5.141 1.00 0.00 C ATOM 941 CG2 ILE A 61 65.383 0.316 -5.733 1.00 0.00 C ATOM 942 CD1 ILE A 61 62.778 -0.990 -5.684 1.00 0.00 C ATOM 0 H ILE A 61 63.113 3.127 -6.867 1.00 0.00 H new ATOM 0 HA ILE A 61 64.030 2.500 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 61 63.867 1.285 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.125 0.409 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.014 0.998 -5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.226 -0.655 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 61 66.203 0.832 -6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 61 65.630 0.175 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 61 61.952 -1.483 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.570 -0.952 -6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.697 -1.550 -5.513 1.00 0.00 H new ATOM 954 N ASP A 62 66.244 3.416 -6.394 1.00 0.00 N ATOM 955 CA ASP A 62 67.668 3.875 -6.514 1.00 0.00 C ATOM 956 C ASP A 62 67.993 4.944 -5.455 1.00 0.00 C ATOM 957 O ASP A 62 69.113 5.045 -4.994 1.00 0.00 O ATOM 958 CB ASP A 62 67.780 4.477 -7.923 1.00 0.00 C ATOM 959 CG ASP A 62 67.851 3.368 -8.983 1.00 0.00 C ATOM 960 OD1 ASP A 62 68.295 2.277 -8.662 1.00 0.00 O ATOM 961 OD2 ASP A 62 67.462 3.637 -10.107 1.00 0.00 O ATOM 0 H ASP A 62 65.700 3.475 -7.255 1.00 0.00 H new ATOM 0 HA ASP A 62 68.367 3.054 -6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 62 66.922 5.119 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.669 5.105 -7.986 1.00 0.00 H new ATOM 966 N GLU A 63 67.021 5.738 -5.069 1.00 0.00 N ATOM 967 CA GLU A 63 67.270 6.800 -4.040 1.00 0.00 C ATOM 968 C GLU A 63 67.551 6.183 -2.658 1.00 0.00 C ATOM 969 O GLU A 63 68.194 6.793 -1.824 1.00 0.00 O ATOM 970 CB GLU A 63 65.979 7.626 -3.999 1.00 0.00 C ATOM 971 CG GLU A 63 66.322 9.108 -3.806 1.00 0.00 C ATOM 972 CD GLU A 63 66.031 9.521 -2.362 1.00 0.00 C ATOM 973 OE1 GLU A 63 66.924 9.406 -1.540 1.00 0.00 O ATOM 974 OE2 GLU A 63 64.919 9.946 -2.099 1.00 0.00 O ATOM 0 H GLU A 63 66.065 5.696 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 63 68.143 7.403 -4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.419 7.490 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 63 65.341 7.281 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 63 67.373 9.281 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 63 65.738 9.719 -4.494 1.00 0.00 H new ATOM 981 N VAL A 64 67.064 4.991 -2.402 1.00 0.00 N ATOM 982 CA VAL A 64 67.297 4.352 -1.064 1.00 0.00 C ATOM 983 C VAL A 64 68.018 2.995 -1.205 1.00 0.00 C ATOM 984 O VAL A 64 68.190 2.282 -0.233 1.00 0.00 O ATOM 985 CB VAL A 64 65.891 4.156 -0.470 1.00 0.00 C ATOM 986 CG1 VAL A 64 66.000 3.710 0.992 1.00 0.00 C ATOM 987 CG2 VAL A 64 65.110 5.473 -0.536 1.00 0.00 C ATOM 0 H VAL A 64 66.517 4.434 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 64 67.935 4.968 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 64 65.369 3.392 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 64 65.001 3.573 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 64 66.547 2.769 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 64 66.530 4.470 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 64 64.116 5.328 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 64 65.638 6.238 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 64 65.020 5.791 -1.575 1.00 0.00 H new ATOM 997 N ASP A 65 68.445 2.626 -2.392 1.00 0.00 N ATOM 998 CA ASP A 65 69.149 1.316 -2.551 1.00 0.00 C ATOM 999 C ASP A 65 70.668 1.522 -2.563 1.00 0.00 C ATOM 1000 O ASP A 65 71.317 1.421 -3.589 1.00 0.00 O ATOM 1001 CB ASP A 65 68.662 0.739 -3.887 1.00 0.00 C ATOM 1002 CG ASP A 65 68.863 -0.780 -3.885 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.948 -1.223 -4.233 1.00 0.00 O ATOM 1004 OD2 ASP A 65 67.933 -1.479 -3.528 1.00 0.00 O ATOM 0 H ASP A 65 68.337 3.171 -3.248 1.00 0.00 H new ATOM 0 HA ASP A 65 68.932 0.638 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.609 0.978 -4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.212 1.189 -4.713 1.00 0.00 H new ATOM 1009 N GLU A 66 71.243 1.798 -1.421 1.00 0.00 N ATOM 1010 CA GLU A 66 72.724 1.995 -1.352 1.00 0.00 C ATOM 1011 C GLU A 66 73.398 0.636 -1.111 1.00 0.00 C ATOM 1012 O GLU A 66 74.127 0.446 -0.155 1.00 0.00 O ATOM 1013 CB GLU A 66 72.947 2.947 -0.167 1.00 0.00 C ATOM 1014 CG GLU A 66 72.674 4.394 -0.605 1.00 0.00 C ATOM 1015 CD GLU A 66 71.166 4.623 -0.760 1.00 0.00 C ATOM 1016 OE1 GLU A 66 70.476 4.615 0.248 1.00 0.00 O ATOM 1017 OE2 GLU A 66 70.727 4.802 -1.883 1.00 0.00 O ATOM 0 H GLU A 66 70.752 1.896 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 66 73.146 2.407 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 66 72.288 2.676 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 66 73.970 2.855 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 66 73.081 5.088 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 66 73.179 4.598 -1.549 1.00 0.00 H new ATOM 1024 N ASP A 67 73.132 -0.317 -1.973 1.00 0.00 N ATOM 1025 CA ASP A 67 73.717 -1.681 -1.809 1.00 0.00 C ATOM 1026 C ASP A 67 74.443 -2.125 -3.089 1.00 0.00 C ATOM 1027 O ASP A 67 75.625 -2.412 -3.072 1.00 0.00 O ATOM 1028 CB ASP A 67 72.500 -2.572 -1.516 1.00 0.00 C ATOM 1029 CG ASP A 67 72.820 -4.037 -1.819 1.00 0.00 C ATOM 1030 OD1 ASP A 67 73.720 -4.573 -1.197 1.00 0.00 O ATOM 1031 OD2 ASP A 67 72.149 -4.597 -2.668 1.00 0.00 O ATOM 0 H ASP A 67 72.530 -0.205 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 67 74.466 -1.728 -1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 67 72.208 -2.466 -0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 67 71.651 -2.247 -2.118 1.00 0.00 H new ATOM 1036 N GLY A 68 73.744 -2.192 -4.195 1.00 0.00 N ATOM 1037 CA GLY A 68 74.390 -2.629 -5.469 1.00 0.00 C ATOM 1038 C GLY A 68 73.406 -3.474 -6.284 1.00 0.00 C ATOM 1039 O GLY A 68 73.333 -3.354 -7.492 1.00 0.00 O ATOM 0 H GLY A 68 72.753 -1.962 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 68 74.702 -1.759 -6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.288 -3.207 -5.253 1.00 0.00 H new ATOM 1043 N SER A 69 72.652 -4.330 -5.635 1.00 0.00 N ATOM 1044 CA SER A 69 71.671 -5.187 -6.378 1.00 0.00 C ATOM 1045 C SER A 69 70.584 -4.333 -7.050 1.00 0.00 C ATOM 1046 O SER A 69 70.036 -4.714 -8.068 1.00 0.00 O ATOM 1047 CB SER A 69 71.054 -6.114 -5.324 1.00 0.00 C ATOM 1048 OG SER A 69 70.183 -5.372 -4.472 1.00 0.00 O ATOM 0 H SER A 69 72.673 -4.473 -4.625 1.00 0.00 H new ATOM 0 HA SER A 69 72.159 -5.746 -7.176 1.00 0.00 H new ATOM 0 HB2 SER A 69 70.502 -6.917 -5.812 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.842 -6.582 -4.734 1.00 0.00 H new ATOM 0 HG SER A 69 70.700 -4.980 -3.738 1.00 0.00 H new ATOM 1054 N GLY A 70 70.260 -3.187 -6.494 1.00 0.00 N ATOM 1055 CA GLY A 70 69.203 -2.329 -7.116 1.00 0.00 C ATOM 1056 C GLY A 70 67.809 -2.740 -6.614 1.00 0.00 C ATOM 1057 O GLY A 70 66.846 -2.027 -6.812 1.00 0.00 O ATOM 0 H GLY A 70 70.679 -2.813 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 70 69.388 -1.282 -6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 70 69.246 -2.419 -8.201 1.00 0.00 H new ATOM 1061 N THR A 71 67.688 -3.878 -5.967 1.00 0.00 N ATOM 1062 CA THR A 71 66.350 -4.313 -5.455 1.00 0.00 C ATOM 1063 C THR A 71 66.254 -4.026 -3.956 1.00 0.00 C ATOM 1064 O THR A 71 67.194 -4.246 -3.212 1.00 0.00 O ATOM 1065 CB THR A 71 66.266 -5.823 -5.710 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.810 -6.131 -6.987 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.804 -6.268 -5.667 1.00 0.00 C ATOM 0 H THR A 71 68.456 -4.521 -5.773 1.00 0.00 H new ATOM 0 HA THR A 71 65.537 -3.782 -5.950 1.00 0.00 H new ATOM 0 HB THR A 71 66.834 -6.345 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 71 66.754 -7.097 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.745 -7.341 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.383 -6.042 -4.687 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.240 -5.739 -6.435 1.00 0.00 H new ATOM 1075 N VAL A 72 65.129 -3.533 -3.513 1.00 0.00 N ATOM 1076 CA VAL A 72 64.961 -3.218 -2.060 1.00 0.00 C ATOM 1077 C VAL A 72 64.591 -4.480 -1.268 1.00 0.00 C ATOM 1078 O VAL A 72 63.629 -5.159 -1.574 1.00 0.00 O ATOM 1079 CB VAL A 72 63.828 -2.182 -2.008 1.00 0.00 C ATOM 1080 CG1 VAL A 72 63.212 -2.141 -0.605 1.00 0.00 C ATOM 1081 CG2 VAL A 72 64.392 -0.801 -2.347 1.00 0.00 C ATOM 0 H VAL A 72 64.315 -3.333 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 72 65.880 -2.838 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 72 63.059 -2.461 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 72 62.410 -1.403 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.809 -3.123 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 72 63.978 -1.868 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 72 63.591 -0.062 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.163 -0.535 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 72 64.824 -0.820 -3.348 1.00 0.00 H new ATOM 1091 N ASP A 73 65.344 -4.787 -0.243 1.00 0.00 N ATOM 1092 CA ASP A 73 65.039 -5.990 0.589 1.00 0.00 C ATOM 1093 C ASP A 73 64.297 -5.558 1.868 1.00 0.00 C ATOM 1094 O ASP A 73 63.781 -4.459 1.946 1.00 0.00 O ATOM 1095 CB ASP A 73 66.413 -6.613 0.901 1.00 0.00 C ATOM 1096 CG ASP A 73 67.029 -5.966 2.145 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.327 -4.786 2.092 1.00 0.00 O ATOM 1098 OD2 ASP A 73 67.186 -6.664 3.132 1.00 0.00 O ATOM 0 H ASP A 73 66.161 -4.254 0.055 1.00 0.00 H new ATOM 0 HA ASP A 73 64.391 -6.708 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.304 -7.686 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 73 67.080 -6.482 0.049 1.00 0.00 H new ATOM 1103 N PHE A 74 64.242 -6.406 2.867 1.00 0.00 N ATOM 1104 CA PHE A 74 63.535 -6.033 4.136 1.00 0.00 C ATOM 1105 C PHE A 74 64.232 -4.837 4.805 1.00 0.00 C ATOM 1106 O PHE A 74 63.589 -3.897 5.229 1.00 0.00 O ATOM 1107 CB PHE A 74 63.616 -7.282 5.025 1.00 0.00 C ATOM 1108 CG PHE A 74 62.768 -7.089 6.262 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.370 -7.133 6.171 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.381 -6.869 7.501 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.588 -6.957 7.319 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.600 -6.692 8.649 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.203 -6.736 8.558 1.00 0.00 C ATOM 0 H PHE A 74 64.655 -7.339 2.860 1.00 0.00 H new ATOM 0 HA PHE A 74 62.502 -5.733 3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 74 63.273 -8.156 4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.651 -7.470 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.896 -7.303 5.215 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.458 -6.836 7.571 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.511 -6.992 7.249 1.00 0.00 H new ATOM 0 HE2 PHE A 74 63.074 -6.522 9.604 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.600 -6.599 9.443 1.00 0.00 H new ATOM 1123 N ASP A 75 65.540 -4.866 4.896 1.00 0.00 N ATOM 1124 CA ASP A 75 66.285 -3.733 5.534 1.00 0.00 C ATOM 1125 C ASP A 75 66.066 -2.432 4.749 1.00 0.00 C ATOM 1126 O ASP A 75 65.690 -1.419 5.310 1.00 0.00 O ATOM 1127 CB ASP A 75 67.757 -4.154 5.491 1.00 0.00 C ATOM 1128 CG ASP A 75 68.136 -4.836 6.807 1.00 0.00 C ATOM 1129 OD1 ASP A 75 67.517 -5.835 7.137 1.00 0.00 O ATOM 1130 OD2 ASP A 75 69.039 -4.346 7.463 1.00 0.00 O ATOM 0 H ASP A 75 66.126 -5.628 4.555 1.00 0.00 H new ATOM 0 HA ASP A 75 65.946 -3.540 6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.927 -4.834 4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 75 68.390 -3.282 5.326 1.00 0.00 H new ATOM 1135 N GLU A 76 66.286 -2.454 3.455 1.00 0.00 N ATOM 1136 CA GLU A 76 66.078 -1.218 2.630 1.00 0.00 C ATOM 1137 C GLU A 76 64.591 -0.822 2.637 1.00 0.00 C ATOM 1138 O GLU A 76 64.246 0.326 2.429 1.00 0.00 O ATOM 1139 CB GLU A 76 66.544 -1.588 1.217 1.00 0.00 C ATOM 1140 CG GLU A 76 68.061 -1.824 1.226 1.00 0.00 C ATOM 1141 CD GLU A 76 68.532 -2.283 -0.157 1.00 0.00 C ATOM 1142 OE1 GLU A 76 68.050 -3.302 -0.623 1.00 0.00 O ATOM 1143 OE2 GLU A 76 69.379 -1.613 -0.725 1.00 0.00 O ATOM 0 H GLU A 76 66.600 -3.273 2.934 1.00 0.00 H new ATOM 0 HA GLU A 76 66.632 -0.364 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 76 66.027 -2.485 0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 76 66.293 -0.790 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 76 68.578 -0.907 1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 76 68.315 -2.576 1.973 1.00 0.00 H new ATOM 1150 N PHE A 77 63.712 -1.762 2.896 1.00 0.00 N ATOM 1151 CA PHE A 77 62.250 -1.447 2.945 1.00 0.00 C ATOM 1152 C PHE A 77 61.905 -0.799 4.296 1.00 0.00 C ATOM 1153 O PHE A 77 61.067 0.080 4.374 1.00 0.00 O ATOM 1154 CB PHE A 77 61.556 -2.806 2.788 1.00 0.00 C ATOM 1155 CG PHE A 77 60.059 -2.656 2.939 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.292 -2.158 1.878 1.00 0.00 C ATOM 1157 CD2 PHE A 77 59.438 -3.025 4.138 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.905 -2.028 2.017 1.00 0.00 C ATOM 1159 CE2 PHE A 77 58.050 -2.897 4.277 1.00 0.00 C ATOM 1160 CZ PHE A 77 57.284 -2.398 3.217 1.00 0.00 C ATOM 0 H PHE A 77 63.947 -2.738 3.076 1.00 0.00 H new ATOM 0 HA PHE A 77 61.938 -0.745 2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.788 -3.229 1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.935 -3.503 3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.771 -1.874 0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 77 60.029 -3.409 4.956 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.314 -1.643 1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 77 57.571 -3.183 5.202 1.00 0.00 H new ATOM 0 HZ PHE A 77 56.214 -2.298 3.324 1.00 0.00 H new ATOM 1170 N LEU A 78 62.557 -1.221 5.358 1.00 0.00 N ATOM 1171 CA LEU A 78 62.280 -0.625 6.704 1.00 0.00 C ATOM 1172 C LEU A 78 62.630 0.870 6.698 1.00 0.00 C ATOM 1173 O LEU A 78 61.828 1.699 7.085 1.00 0.00 O ATOM 1174 CB LEU A 78 63.181 -1.387 7.683 1.00 0.00 C ATOM 1175 CG LEU A 78 62.623 -2.796 7.916 1.00 0.00 C ATOM 1176 CD1 LEU A 78 63.668 -3.644 8.642 1.00 0.00 C ATOM 1177 CD2 LEU A 78 61.352 -2.720 8.769 1.00 0.00 C ATOM 0 H LEU A 78 63.268 -1.952 5.348 1.00 0.00 H new ATOM 0 HA LEU A 78 61.229 -0.708 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 78 64.194 -1.449 7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 78 63.242 -0.849 8.629 1.00 0.00 H new ATOM 0 HG LEU A 78 62.384 -3.249 6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 78 63.272 -4.646 8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 78 64.571 -3.707 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 78 63.907 -3.185 9.601 1.00 0.00 H new ATOM 0 HD21 LEU A 78 60.961 -3.725 8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 78 61.586 -2.263 9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 78 60.603 -2.118 8.254 1.00 0.00 H new ATOM 1189 N VAL A 79 63.814 1.222 6.244 1.00 0.00 N ATOM 1190 CA VAL A 79 64.200 2.671 6.196 1.00 0.00 C ATOM 1191 C VAL A 79 63.261 3.429 5.242 1.00 0.00 C ATOM 1192 O VAL A 79 62.955 4.588 5.455 1.00 0.00 O ATOM 1193 CB VAL A 79 65.658 2.704 5.700 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.733 2.282 4.231 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.214 4.124 5.844 1.00 0.00 C ATOM 0 H VAL A 79 64.525 0.572 5.907 1.00 0.00 H new ATOM 0 HA VAL A 79 64.116 3.154 7.169 1.00 0.00 H new ATOM 0 HB VAL A 79 66.247 2.010 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.770 2.311 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.345 1.269 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 79 65.137 2.965 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.246 4.148 5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 79 65.613 4.812 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 79 66.180 4.424 6.891 1.00 0.00 H new ATOM 1205 N MET A 80 62.781 2.776 4.207 1.00 0.00 N ATOM 1206 CA MET A 80 61.839 3.452 3.262 1.00 0.00 C ATOM 1207 C MET A 80 60.529 3.777 3.991 1.00 0.00 C ATOM 1208 O MET A 80 59.947 4.826 3.795 1.00 0.00 O ATOM 1209 CB MET A 80 61.598 2.443 2.135 1.00 0.00 C ATOM 1210 CG MET A 80 61.069 3.171 0.896 1.00 0.00 C ATOM 1211 SD MET A 80 61.779 2.423 -0.591 1.00 0.00 S ATOM 1212 CE MET A 80 60.842 0.875 -0.542 1.00 0.00 C ATOM 0 H MET A 80 63.002 1.807 3.979 1.00 0.00 H new ATOM 0 HA MET A 80 62.237 4.390 2.875 1.00 0.00 H new ATOM 0 HB2 MET A 80 62.525 1.923 1.895 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.882 1.687 2.458 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.981 3.111 0.862 1.00 0.00 H new ATOM 0 HG3 MET A 80 61.329 4.229 0.944 1.00 0.00 H new ATOM 0 HE1 MET A 80 61.049 0.296 -1.442 1.00 0.00 H new ATOM 0 HE2 MET A 80 61.136 0.299 0.336 1.00 0.00 H new ATOM 0 HE3 MET A 80 59.776 1.096 -0.490 1.00 0.00 H new ATOM 1222 N MET A 81 60.072 2.887 4.843 1.00 0.00 N ATOM 1223 CA MET A 81 58.808 3.147 5.601 1.00 0.00 C ATOM 1224 C MET A 81 58.975 4.384 6.493 1.00 0.00 C ATOM 1225 O MET A 81 58.089 5.213 6.576 1.00 0.00 O ATOM 1226 CB MET A 81 58.574 1.894 6.450 1.00 0.00 C ATOM 1227 CG MET A 81 57.822 0.847 5.623 1.00 0.00 C ATOM 1228 SD MET A 81 56.128 1.416 5.320 1.00 0.00 S ATOM 1229 CE MET A 81 55.851 0.508 3.779 1.00 0.00 C ATOM 0 H MET A 81 60.521 1.993 5.045 1.00 0.00 H new ATOM 0 HA MET A 81 57.965 3.342 4.938 1.00 0.00 H new ATOM 0 HB2 MET A 81 59.527 1.489 6.789 1.00 0.00 H new ATOM 0 HB3 MET A 81 58.001 2.148 7.342 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.335 0.679 4.676 1.00 0.00 H new ATOM 0 HG3 MET A 81 57.807 -0.107 6.151 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.213 1.096 3.120 1.00 0.00 H new ATOM 0 HE2 MET A 81 56.807 0.323 3.289 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.366 -0.443 3.999 1.00 0.00 H new ATOM 1239 N VAL A 82 60.110 4.530 7.144 1.00 0.00 N ATOM 1240 CA VAL A 82 60.327 5.738 8.006 1.00 0.00 C ATOM 1241 C VAL A 82 60.259 7.001 7.133 1.00 0.00 C ATOM 1242 O VAL A 82 59.747 8.023 7.548 1.00 0.00 O ATOM 1243 CB VAL A 82 61.721 5.567 8.637 1.00 0.00 C ATOM 1244 CG1 VAL A 82 62.192 6.898 9.227 1.00 0.00 C ATOM 1245 CG2 VAL A 82 61.649 4.522 9.754 1.00 0.00 C ATOM 0 H VAL A 82 60.888 3.871 7.115 1.00 0.00 H new ATOM 0 HA VAL A 82 59.568 5.838 8.782 1.00 0.00 H new ATOM 0 HB VAL A 82 62.423 5.242 7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 82 63.179 6.770 9.672 1.00 0.00 H new ATOM 0 HG12 VAL A 82 62.244 7.648 8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 82 61.489 7.226 9.993 1.00 0.00 H new ATOM 0 HG21 VAL A 82 62.635 4.400 10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 82 60.943 4.852 10.516 1.00 0.00 H new ATOM 0 HG23 VAL A 82 61.318 3.570 9.340 1.00 0.00 H new ATOM 1255 N ARG A 83 60.745 6.924 5.914 1.00 0.00 N ATOM 1256 CA ARG A 83 60.680 8.108 4.999 1.00 0.00 C ATOM 1257 C ARG A 83 59.216 8.390 4.616 1.00 0.00 C ATOM 1258 O ARG A 83 58.852 9.510 4.311 1.00 0.00 O ATOM 1259 CB ARG A 83 61.496 7.714 3.759 1.00 0.00 C ATOM 1260 CG ARG A 83 62.989 7.927 4.031 1.00 0.00 C ATOM 1261 CD ARG A 83 63.804 7.489 2.809 1.00 0.00 C ATOM 1262 NE ARG A 83 64.878 8.518 2.670 1.00 0.00 N ATOM 1263 CZ ARG A 83 65.332 8.834 1.489 1.00 0.00 C ATOM 1264 NH1 ARG A 83 66.323 8.167 0.971 1.00 0.00 N ATOM 1265 NH2 ARG A 83 64.798 9.822 0.832 1.00 0.00 N ATOM 0 H ARG A 83 61.183 6.093 5.515 1.00 0.00 H new ATOM 0 HA ARG A 83 61.074 9.011 5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.308 6.671 3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.184 8.311 2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.182 8.977 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.294 7.355 4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 83 64.227 6.495 2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.182 7.445 1.915 1.00 0.00 H new ATOM 0 HE ARG A 83 65.257 8.974 3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 83 66.745 7.396 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 83 66.677 8.415 0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 83 64.026 10.348 1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 83 65.152 10.071 -0.092 1.00 0.00 H new ATOM 1279 N CYS A 84 58.373 7.380 4.645 1.00 0.00 N ATOM 1280 CA CYS A 84 56.928 7.576 4.297 1.00 0.00 C ATOM 1281 C CYS A 84 56.121 8.048 5.523 1.00 0.00 C ATOM 1282 O CYS A 84 54.904 8.066 5.498 1.00 0.00 O ATOM 1283 CB CYS A 84 56.442 6.197 3.842 1.00 0.00 C ATOM 1284 SG CYS A 84 57.344 5.694 2.355 1.00 0.00 S ATOM 0 H CYS A 84 58.627 6.425 4.896 1.00 0.00 H new ATOM 0 HA CYS A 84 56.799 8.339 3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 84 56.594 5.466 4.636 1.00 0.00 H new ATOM 0 HB3 CYS A 84 55.372 6.227 3.638 1.00 0.00 H new ATOM 0 HG CYS A 84 58.527 5.269 2.688 1.00 0.00 H new ATOM 1290 N MET A 85 56.783 8.435 6.591 1.00 0.00 N ATOM 1291 CA MET A 85 56.048 8.908 7.809 1.00 0.00 C ATOM 1292 C MET A 85 55.779 10.425 7.740 1.00 0.00 C ATOM 1293 O MET A 85 55.319 11.014 8.700 1.00 0.00 O ATOM 1294 CB MET A 85 56.982 8.581 8.978 1.00 0.00 C ATOM 1295 CG MET A 85 56.185 8.545 10.286 1.00 0.00 C ATOM 1296 SD MET A 85 56.121 6.847 10.910 1.00 0.00 S ATOM 1297 CE MET A 85 57.779 6.808 11.635 1.00 0.00 C ATOM 0 H MET A 85 57.800 8.443 6.671 1.00 0.00 H new ATOM 0 HA MET A 85 55.074 8.429 7.908 1.00 0.00 H new ATOM 0 HB2 MET A 85 57.466 7.619 8.810 1.00 0.00 H new ATOM 0 HB3 MET A 85 57.772 9.329 9.044 1.00 0.00 H new ATOM 0 HG2 MET A 85 56.650 9.198 11.025 1.00 0.00 H new ATOM 0 HG3 MET A 85 55.175 8.920 10.119 1.00 0.00 H new ATOM 0 HE1 MET A 85 57.956 5.831 12.086 1.00 0.00 H new ATOM 0 HE2 MET A 85 58.521 6.989 10.857 1.00 0.00 H new ATOM 0 HE3 MET A 85 57.860 7.580 12.400 1.00 0.00 H new ATOM 1307 N LYS A 86 56.057 11.053 6.612 1.00 0.00 N ATOM 1308 CA LYS A 86 55.822 12.530 6.449 1.00 0.00 C ATOM 1309 C LYS A 86 56.816 13.361 7.283 1.00 0.00 C ATOM 1310 O LYS A 86 57.629 14.080 6.736 1.00 0.00 O ATOM 1311 CB LYS A 86 54.373 12.785 6.897 1.00 0.00 C ATOM 1312 CG LYS A 86 53.821 14.017 6.173 1.00 0.00 C ATOM 1313 CD LYS A 86 54.196 15.285 6.948 1.00 0.00 C ATOM 1314 CE LYS A 86 55.153 16.136 6.109 1.00 0.00 C ATOM 1315 NZ LYS A 86 55.502 17.297 6.977 1.00 0.00 N ATOM 0 H LYS A 86 56.443 10.595 5.786 1.00 0.00 H new ATOM 0 HA LYS A 86 55.977 12.834 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 86 53.755 11.914 6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 86 54.337 12.938 7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 86 54.223 14.066 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 86 52.737 13.942 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 86 53.299 15.856 7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 86 54.665 15.019 7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 86 56.042 15.571 5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 86 54.681 16.464 5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 55.797 18.098 6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 54.672 17.571 7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 56.281 17.033 7.613 1.00 0.00 H new ATOM 1329 N ASP A 87 56.754 13.283 8.592 1.00 0.00 N ATOM 1330 CA ASP A 87 57.695 14.088 9.438 1.00 0.00 C ATOM 1331 C ASP A 87 58.235 13.252 10.612 1.00 0.00 C ATOM 1332 O ASP A 87 58.215 12.036 10.576 1.00 0.00 O ATOM 1333 CB ASP A 87 56.847 15.260 9.950 1.00 0.00 C ATOM 1334 CG ASP A 87 57.663 16.550 9.884 1.00 0.00 C ATOM 1335 OD1 ASP A 87 58.389 16.816 10.827 1.00 0.00 O ATOM 1336 OD2 ASP A 87 57.549 17.248 8.891 1.00 0.00 O ATOM 0 H ASP A 87 56.096 12.700 9.109 1.00 0.00 H new ATOM 0 HA ASP A 87 58.568 14.421 8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 87 55.943 15.358 9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 87 56.529 15.071 10.975 1.00 0.00 H new ATOM 1341 N ASP A 88 58.720 13.913 11.647 1.00 0.00 N ATOM 1342 CA ASP A 88 59.276 13.208 12.854 1.00 0.00 C ATOM 1343 C ASP A 88 60.609 12.511 12.532 1.00 0.00 C ATOM 1344 O ASP A 88 61.653 12.921 13.003 1.00 0.00 O ATOM 1345 CB ASP A 88 58.205 12.193 13.283 1.00 0.00 C ATOM 1346 CG ASP A 88 58.457 11.763 14.730 1.00 0.00 C ATOM 1347 OD1 ASP A 88 58.026 12.473 15.622 1.00 0.00 O ATOM 1348 OD2 ASP A 88 59.078 10.730 14.920 1.00 0.00 O ATOM 0 H ASP A 88 58.753 14.931 11.704 1.00 0.00 H new ATOM 0 HA ASP A 88 59.495 13.914 13.655 1.00 0.00 H new ATOM 0 HB2 ASP A 88 57.213 12.635 13.192 1.00 0.00 H new ATOM 0 HB3 ASP A 88 58.228 11.324 12.625 1.00 0.00 H new ATOM 1353 N SER A 89 60.585 11.466 11.742 1.00 0.00 N ATOM 1354 CA SER A 89 61.855 10.747 11.401 1.00 0.00 C ATOM 1355 C SER A 89 62.187 10.886 9.907 1.00 0.00 C ATOM 1356 O SER A 89 61.387 11.457 9.181 1.00 0.00 O ATOM 1357 CB SER A 89 61.588 9.281 11.759 1.00 0.00 C ATOM 1358 OG SER A 89 60.373 8.849 11.151 1.00 0.00 O ATOM 1359 OXT SER A 89 63.240 10.413 9.515 1.00 0.00 O ATOM 0 H SER A 89 59.742 11.079 11.318 1.00 0.00 H new ATOM 0 HA SER A 89 62.708 11.156 11.942 1.00 0.00 H new ATOM 0 HB2 SER A 89 62.416 8.658 11.421 1.00 0.00 H new ATOM 0 HB3 SER A 89 61.524 9.167 12.841 1.00 0.00 H new ATOM 0 HG SER A 89 59.691 8.714 11.842 1.00 0.00 H new TER 1365 SER A 89 ATOM 1366 N ARG B 144 50.522 16.837 -6.852 1.00 0.00 N ATOM 1367 CA ARG B 144 51.627 16.058 -7.499 1.00 0.00 C ATOM 1368 C ARG B 144 52.369 15.209 -6.452 1.00 0.00 C ATOM 1369 O ARG B 144 51.914 15.067 -5.331 1.00 0.00 O ATOM 1370 CB ARG B 144 52.564 17.113 -8.108 1.00 0.00 C ATOM 1371 CG ARG B 144 53.106 16.607 -9.449 1.00 0.00 C ATOM 1372 CD ARG B 144 52.012 16.689 -10.516 1.00 0.00 C ATOM 1373 NE ARG B 144 52.554 15.911 -11.666 1.00 0.00 N ATOM 1374 CZ ARG B 144 52.011 14.777 -12.002 1.00 0.00 C ATOM 1375 NH1 ARG B 144 52.427 13.671 -11.453 1.00 0.00 N ATOM 1376 NH2 ARG B 144 51.055 14.747 -12.887 1.00 0.00 N ATOM 0 HA ARG B 144 51.253 15.367 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG B 144 52.027 18.051 -8.252 1.00 0.00 H new ATOM 0 HB3 ARG B 144 53.389 17.319 -7.425 1.00 0.00 H new ATOM 0 HG2 ARG B 144 53.967 17.203 -9.752 1.00 0.00 H new ATOM 0 HG3 ARG B 144 53.451 15.578 -9.347 1.00 0.00 H new ATOM 0 HD2 ARG B 144 51.074 16.265 -10.157 1.00 0.00 H new ATOM 0 HD3 ARG B 144 51.808 17.722 -10.797 1.00 0.00 H new ATOM 0 HE ARG B 144 53.352 16.268 -12.191 1.00 0.00 H new ATOM 0 HH11 ARG B 144 53.177 13.695 -10.762 1.00 0.00 H new ATOM 0 HH12 ARG B 144 52.003 12.781 -11.715 1.00 0.00 H new ATOM 0 HH21 ARG B 144 50.731 15.613 -13.318 1.00 0.00 H new ATOM 0 HH22 ARG B 144 50.631 13.857 -13.149 1.00 0.00 H new ATOM 1392 N ARG B 145 53.503 14.641 -6.821 1.00 0.00 N ATOM 1393 CA ARG B 145 54.301 13.786 -5.875 1.00 0.00 C ATOM 1394 C ARG B 145 53.574 12.461 -5.596 1.00 0.00 C ATOM 1395 O ARG B 145 52.359 12.384 -5.631 1.00 0.00 O ATOM 1396 CB ARG B 145 54.463 14.610 -4.589 1.00 0.00 C ATOM 1397 CG ARG B 145 55.545 13.981 -3.706 1.00 0.00 C ATOM 1398 CD ARG B 145 56.586 15.040 -3.334 1.00 0.00 C ATOM 1399 NE ARG B 145 57.623 14.298 -2.559 1.00 0.00 N ATOM 1400 CZ ARG B 145 57.637 14.352 -1.256 1.00 0.00 C ATOM 1401 NH1 ARG B 145 57.938 15.468 -0.652 1.00 0.00 N ATOM 1402 NH2 ARG B 145 57.355 13.287 -0.562 1.00 0.00 N ATOM 0 H ARG B 145 53.912 14.737 -7.750 1.00 0.00 H new ATOM 0 HA ARG B 145 55.271 13.524 -6.296 1.00 0.00 H new ATOM 0 HB2 ARG B 145 54.733 15.637 -4.835 1.00 0.00 H new ATOM 0 HB3 ARG B 145 53.517 14.649 -4.049 1.00 0.00 H new ATOM 0 HG2 ARG B 145 55.096 13.566 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG B 145 56.024 13.156 -4.233 1.00 0.00 H new ATOM 0 HD2 ARG B 145 57.013 15.504 -4.223 1.00 0.00 H new ATOM 0 HD3 ARG B 145 56.143 15.838 -2.739 1.00 0.00 H new ATOM 0 HE ARG B 145 58.325 13.745 -3.051 1.00 0.00 H new ATOM 0 HH11 ARG B 145 58.163 16.299 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG B 145 57.949 15.510 0.367 1.00 0.00 H new ATOM 0 HH21 ARG B 145 57.124 12.415 -1.038 1.00 0.00 H new ATOM 0 HH22 ARG B 145 57.365 13.325 0.457 1.00 0.00 H new ATOM 1416 N VAL B 146 54.316 11.419 -5.326 1.00 0.00 N ATOM 1417 CA VAL B 146 53.689 10.086 -5.049 1.00 0.00 C ATOM 1418 C VAL B 146 53.451 9.922 -3.540 1.00 0.00 C ATOM 1419 O VAL B 146 52.375 9.549 -3.115 1.00 0.00 O ATOM 1420 CB VAL B 146 54.703 9.055 -5.566 1.00 0.00 C ATOM 1421 CG1 VAL B 146 54.093 7.654 -5.503 1.00 0.00 C ATOM 1422 CG2 VAL B 146 55.070 9.374 -7.020 1.00 0.00 C ATOM 0 H VAL B 146 55.335 11.431 -5.285 1.00 0.00 H new ATOM 0 HA VAL B 146 52.719 9.969 -5.533 1.00 0.00 H new ATOM 0 HB VAL B 146 55.597 9.095 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL B 146 54.816 6.926 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL B 146 53.832 7.417 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL B 146 53.196 7.619 -6.122 1.00 0.00 H new ATOM 0 HG21 VAL B 146 55.790 8.640 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL B 146 54.173 9.339 -7.638 1.00 0.00 H new ATOM 0 HG23 VAL B 146 55.509 10.370 -7.074 1.00 0.00 H new ATOM 1432 N ARG B 147 54.452 10.216 -2.740 1.00 0.00 N ATOM 1433 CA ARG B 147 54.334 10.111 -1.245 1.00 0.00 C ATOM 1434 C ARG B 147 54.118 8.659 -0.782 1.00 0.00 C ATOM 1435 O ARG B 147 55.055 8.006 -0.372 1.00 0.00 O ATOM 1436 CB ARG B 147 53.155 11.013 -0.844 1.00 0.00 C ATOM 1437 CG ARG B 147 53.639 12.464 -0.757 1.00 0.00 C ATOM 1438 CD ARG B 147 52.647 13.298 0.062 1.00 0.00 C ATOM 1439 NE ARG B 147 51.470 13.517 -0.835 1.00 0.00 N ATOM 1440 CZ ARG B 147 51.620 14.094 -1.996 1.00 0.00 C ATOM 1441 NH1 ARG B 147 51.846 15.375 -2.061 1.00 0.00 N ATOM 1442 NH2 ARG B 147 51.538 13.387 -3.086 1.00 0.00 N ATOM 0 H ARG B 147 55.365 10.531 -3.067 1.00 0.00 H new ATOM 0 HA ARG B 147 55.258 10.431 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG B 147 52.351 10.928 -1.575 1.00 0.00 H new ATOM 0 HB3 ARG B 147 52.748 10.695 0.116 1.00 0.00 H new ATOM 0 HG2 ARG B 147 54.626 12.500 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG B 147 53.740 12.883 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG B 147 52.354 12.776 0.973 1.00 0.00 H new ATOM 0 HD3 ARG B 147 53.090 14.246 0.367 1.00 0.00 H new ATOM 0 HE ARG B 147 50.543 13.213 -0.537 1.00 0.00 H new ATOM 0 HH11 ARG B 147 51.906 15.926 -1.205 1.00 0.00 H new ATOM 0 HH12 ARG B 147 51.963 15.827 -2.968 1.00 0.00 H new ATOM 0 HH21 ARG B 147 51.357 12.385 -3.031 1.00 0.00 H new ATOM 0 HH22 ARG B 147 51.655 13.835 -3.995 1.00 0.00 H new ATOM 1456 N ILE B 148 52.897 8.161 -0.819 1.00 0.00 N ATOM 1457 CA ILE B 148 52.624 6.758 -0.349 1.00 0.00 C ATOM 1458 C ILE B 148 53.105 6.610 1.109 1.00 0.00 C ATOM 1459 O ILE B 148 54.248 6.295 1.387 1.00 0.00 O ATOM 1460 CB ILE B 148 53.370 5.833 -1.345 1.00 0.00 C ATOM 1461 CG1 ILE B 148 52.367 5.307 -2.375 1.00 0.00 C ATOM 1462 CG2 ILE B 148 54.008 4.633 -0.633 1.00 0.00 C ATOM 1463 CD1 ILE B 148 52.190 6.331 -3.495 1.00 0.00 C ATOM 0 H ILE B 148 52.078 8.667 -1.155 1.00 0.00 H new ATOM 0 HA ILE B 148 51.566 6.497 -0.339 1.00 0.00 H new ATOM 0 HB ILE B 148 54.160 6.414 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE B 148 52.717 4.361 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE B 148 51.408 5.110 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE B 148 54.522 4.008 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE B 148 54.724 4.988 0.108 1.00 0.00 H new ATOM 0 HG23 ILE B 148 53.232 4.049 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE B 148 51.475 5.952 -4.225 1.00 0.00 H new ATOM 0 HD12 ILE B 148 51.820 7.267 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE B 148 53.149 6.506 -3.983 1.00 0.00 H new ATOM 1475 N SER B 149 52.229 6.873 2.046 1.00 0.00 N ATOM 1476 CA SER B 149 52.616 6.783 3.487 1.00 0.00 C ATOM 1477 C SER B 149 52.282 5.402 4.062 1.00 0.00 C ATOM 1478 O SER B 149 51.526 4.640 3.486 1.00 0.00 O ATOM 1479 CB SER B 149 51.801 7.873 4.186 1.00 0.00 C ATOM 1480 OG SER B 149 50.414 7.646 3.962 1.00 0.00 O ATOM 0 H SER B 149 51.261 7.146 1.875 1.00 0.00 H new ATOM 0 HA SER B 149 53.688 6.919 3.627 1.00 0.00 H new ATOM 0 HB2 SER B 149 52.013 7.871 5.255 1.00 0.00 H new ATOM 0 HB3 SER B 149 52.086 8.854 3.807 1.00 0.00 H new ATOM 0 HG SER B 149 49.892 8.343 4.411 1.00 0.00 H new ATOM 1486 N ALA B 150 52.849 5.081 5.198 1.00 0.00 N ATOM 1487 CA ALA B 150 52.586 3.754 5.833 1.00 0.00 C ATOM 1488 C ALA B 150 51.117 3.638 6.263 1.00 0.00 C ATOM 1489 O ALA B 150 50.458 2.663 5.962 1.00 0.00 O ATOM 1490 CB ALA B 150 53.511 3.710 7.053 1.00 0.00 C ATOM 0 H ALA B 150 53.487 5.686 5.716 1.00 0.00 H new ATOM 0 HA ALA B 150 52.773 2.928 5.146 1.00 0.00 H new ATOM 0 HB1 ALA B 150 53.378 2.763 7.576 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.547 3.802 6.728 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.267 4.533 7.725 1.00 0.00 H new ATOM 1496 N ASP B 151 50.604 4.625 6.960 1.00 0.00 N ATOM 1497 CA ASP B 151 49.172 4.577 7.412 1.00 0.00 C ATOM 1498 C ASP B 151 48.227 4.354 6.218 1.00 0.00 C ATOM 1499 O ASP B 151 47.256 3.626 6.317 1.00 0.00 O ATOM 1500 CB ASP B 151 48.902 5.938 8.078 1.00 0.00 C ATOM 1501 CG ASP B 151 49.229 7.083 7.113 1.00 0.00 C ATOM 1502 OD1 ASP B 151 50.394 7.428 7.007 1.00 0.00 O ATOM 1503 OD2 ASP B 151 48.309 7.594 6.497 1.00 0.00 O ATOM 0 H ASP B 151 51.114 5.464 7.237 1.00 0.00 H new ATOM 0 HA ASP B 151 48.997 3.751 8.101 1.00 0.00 H new ATOM 0 HB2 ASP B 151 47.857 5.999 8.383 1.00 0.00 H new ATOM 0 HB3 ASP B 151 49.504 6.033 8.982 1.00 0.00 H new ATOM 1508 N ALA B 152 48.508 4.966 5.092 1.00 0.00 N ATOM 1509 CA ALA B 152 47.632 4.784 3.893 1.00 0.00 C ATOM 1510 C ALA B 152 47.862 3.401 3.266 1.00 0.00 C ATOM 1511 O ALA B 152 46.926 2.709 2.913 1.00 0.00 O ATOM 1512 CB ALA B 152 48.052 5.892 2.923 1.00 0.00 C ATOM 0 H ALA B 152 49.307 5.584 4.952 1.00 0.00 H new ATOM 0 HA ALA B 152 46.573 4.842 4.145 1.00 0.00 H new ATOM 0 HB1 ALA B 152 47.453 5.826 2.014 1.00 0.00 H new ATOM 0 HB2 ALA B 152 47.896 6.864 3.391 1.00 0.00 H new ATOM 0 HB3 ALA B 152 49.106 5.775 2.672 1.00 0.00 H new ATOM 1518 N MET B 153 49.101 2.991 3.131 1.00 0.00 N ATOM 1519 CA MET B 153 49.393 1.650 2.530 1.00 0.00 C ATOM 1520 C MET B 153 48.912 0.524 3.458 1.00 0.00 C ATOM 1521 O MET B 153 48.516 -0.530 3.002 1.00 0.00 O ATOM 1522 CB MET B 153 50.915 1.601 2.373 1.00 0.00 C ATOM 1523 CG MET B 153 51.316 2.265 1.054 1.00 0.00 C ATOM 1524 SD MET B 153 51.100 1.090 -0.304 1.00 0.00 S ATOM 1525 CE MET B 153 52.649 1.456 -1.165 1.00 0.00 C ATOM 0 H MET B 153 49.923 3.527 3.411 1.00 0.00 H new ATOM 0 HA MET B 153 48.880 1.513 1.578 1.00 0.00 H new ATOM 0 HB2 MET B 153 51.394 2.111 3.209 1.00 0.00 H new ATOM 0 HB3 MET B 153 51.260 0.567 2.391 1.00 0.00 H new ATOM 0 HG2 MET B 153 50.707 3.152 0.881 1.00 0.00 H new ATOM 0 HG3 MET B 153 52.354 2.595 1.102 1.00 0.00 H new ATOM 0 HE1 MET B 153 52.814 0.716 -1.948 1.00 0.00 H new ATOM 0 HE2 MET B 153 52.592 2.449 -1.611 1.00 0.00 H new ATOM 0 HE3 MET B 153 53.476 1.424 -0.456 1.00 0.00 H new ATOM 1535 N MET B 154 48.942 0.740 4.752 1.00 0.00 N ATOM 1536 CA MET B 154 48.483 -0.319 5.710 1.00 0.00 C ATOM 1537 C MET B 154 47.030 -0.720 5.413 1.00 0.00 C ATOM 1538 O MET B 154 46.697 -1.888 5.397 1.00 0.00 O ATOM 1539 CB MET B 154 48.593 0.320 7.099 1.00 0.00 C ATOM 1540 CG MET B 154 49.053 -0.729 8.113 1.00 0.00 C ATOM 1541 SD MET B 154 49.919 0.093 9.475 1.00 0.00 S ATOM 1542 CE MET B 154 51.546 0.185 8.687 1.00 0.00 C ATOM 0 H MET B 154 49.265 1.604 5.187 1.00 0.00 H new ATOM 0 HA MET B 154 49.081 -1.227 5.632 1.00 0.00 H new ATOM 0 HB2 MET B 154 49.299 1.150 7.073 1.00 0.00 H new ATOM 0 HB3 MET B 154 47.629 0.731 7.398 1.00 0.00 H new ATOM 0 HG2 MET B 154 48.195 -1.283 8.494 1.00 0.00 H new ATOM 0 HG3 MET B 154 49.712 -1.452 7.632 1.00 0.00 H new ATOM 0 HE1 MET B 154 52.264 0.618 9.384 1.00 0.00 H new ATOM 0 HE2 MET B 154 51.872 -0.817 8.407 1.00 0.00 H new ATOM 0 HE3 MET B 154 51.484 0.809 7.795 1.00 0.00 H new ATOM 1552 N GLN B 155 46.168 0.240 5.171 1.00 0.00 N ATOM 1553 CA GLN B 155 44.736 -0.087 4.866 1.00 0.00 C ATOM 1554 C GLN B 155 44.632 -0.838 3.527 1.00 0.00 C ATOM 1555 O GLN B 155 43.824 -1.735 3.373 1.00 0.00 O ATOM 1556 CB GLN B 155 44.025 1.269 4.779 1.00 0.00 C ATOM 1557 CG GLN B 155 42.546 1.102 5.146 1.00 0.00 C ATOM 1558 CD GLN B 155 41.725 0.844 3.880 1.00 0.00 C ATOM 1559 OE1 GLN B 155 41.523 1.735 3.080 1.00 0.00 O ATOM 1560 NE2 GLN B 155 41.238 -0.346 3.663 1.00 0.00 N ATOM 0 H GLN B 155 46.393 1.235 5.171 1.00 0.00 H new ATOM 0 HA GLN B 155 44.292 -0.731 5.625 1.00 0.00 H new ATOM 0 HB2 GLN B 155 44.499 1.983 5.453 1.00 0.00 H new ATOM 0 HB3 GLN B 155 44.116 1.674 3.771 1.00 0.00 H new ATOM 0 HG2 GLN B 155 42.426 0.273 5.844 1.00 0.00 H new ATOM 0 HG3 GLN B 155 42.183 1.998 5.650 1.00 0.00 H new ATOM 0 HE21 GLN B 155 41.406 -1.096 4.333 1.00 0.00 H new ATOM 0 HE22 GLN B 155 40.689 -0.527 2.823 1.00 0.00 H new ATOM 1569 N ALA B 156 45.443 -0.474 2.563 1.00 0.00 N ATOM 1570 CA ALA B 156 45.395 -1.157 1.229 1.00 0.00 C ATOM 1571 C ALA B 156 46.078 -2.535 1.285 1.00 0.00 C ATOM 1572 O ALA B 156 45.668 -3.460 0.610 1.00 0.00 O ATOM 1573 CB ALA B 156 46.151 -0.222 0.279 1.00 0.00 C ATOM 0 H ALA B 156 46.138 0.268 2.642 1.00 0.00 H new ATOM 0 HA ALA B 156 44.370 -1.337 0.905 1.00 0.00 H new ATOM 0 HB1 ALA B 156 46.161 -0.652 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA B 156 45.655 0.748 0.253 1.00 0.00 H new ATOM 0 HB3 ALA B 156 47.175 -0.097 0.630 1.00 0.00 H new ATOM 1579 N LEU B 157 47.118 -2.677 2.072 1.00 0.00 N ATOM 1580 CA LEU B 157 47.827 -3.996 2.157 1.00 0.00 C ATOM 1581 C LEU B 157 47.140 -4.911 3.179 1.00 0.00 C ATOM 1582 O LEU B 157 46.843 -6.055 2.896 1.00 0.00 O ATOM 1583 CB LEU B 157 49.256 -3.662 2.611 1.00 0.00 C ATOM 1584 CG LEU B 157 50.196 -3.560 1.400 1.00 0.00 C ATOM 1585 CD1 LEU B 157 50.160 -4.863 0.600 1.00 0.00 C ATOM 1586 CD2 LEU B 157 49.761 -2.399 0.501 1.00 0.00 C ATOM 0 H LEU B 157 47.507 -1.939 2.659 1.00 0.00 H new ATOM 0 HA LEU B 157 47.817 -4.523 1.203 1.00 0.00 H new ATOM 0 HB2 LEU B 157 49.258 -2.721 3.161 1.00 0.00 H new ATOM 0 HB3 LEU B 157 49.616 -4.431 3.294 1.00 0.00 H new ATOM 0 HG LEU B 157 51.211 -3.383 1.755 1.00 0.00 H new ATOM 0 HD11 LEU B 157 50.829 -4.783 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU B 157 50.481 -5.689 1.235 1.00 0.00 H new ATOM 0 HD13 LEU B 157 49.144 -5.048 0.251 1.00 0.00 H new ATOM 0 HD21 LEU B 157 50.431 -2.332 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU B 157 48.743 -2.570 0.153 1.00 0.00 H new ATOM 0 HD23 LEU B 157 49.799 -1.467 1.066 1.00 0.00 H new ATOM 1598 N LEU B 158 46.884 -4.415 4.365 1.00 0.00 N ATOM 1599 CA LEU B 158 46.215 -5.255 5.407 1.00 0.00 C ATOM 1600 C LEU B 158 44.702 -4.990 5.404 1.00 0.00 C ATOM 1601 O LEU B 158 44.137 -4.522 6.375 1.00 0.00 O ATOM 1602 CB LEU B 158 46.847 -4.823 6.736 1.00 0.00 C ATOM 1603 CG LEU B 158 48.217 -5.490 6.897 1.00 0.00 C ATOM 1604 CD1 LEU B 158 49.309 -4.553 6.376 1.00 0.00 C ATOM 1605 CD2 LEU B 158 48.470 -5.788 8.377 1.00 0.00 C ATOM 0 H LEU B 158 47.110 -3.464 4.657 1.00 0.00 H new ATOM 0 HA LEU B 158 46.347 -6.322 5.230 1.00 0.00 H new ATOM 0 HB2 LEU B 158 46.954 -3.739 6.763 1.00 0.00 H new ATOM 0 HB3 LEU B 158 46.197 -5.100 7.566 1.00 0.00 H new ATOM 0 HG LEU B 158 48.234 -6.420 6.329 1.00 0.00 H new ATOM 0 HD11 LEU B 158 50.283 -5.029 6.491 1.00 0.00 H new ATOM 0 HD12 LEU B 158 49.132 -4.339 5.322 1.00 0.00 H new ATOM 0 HD13 LEU B 158 49.291 -3.622 6.943 1.00 0.00 H new ATOM 0 HD21 LEU B 158 49.445 -6.262 8.491 1.00 0.00 H new ATOM 0 HD22 LEU B 158 48.451 -4.857 8.944 1.00 0.00 H new ATOM 0 HD23 LEU B 158 47.695 -6.457 8.751 1.00 0.00 H new ATOM 1617 N GLY B 159 44.046 -5.291 4.311 1.00 0.00 N ATOM 1618 CA GLY B 159 42.571 -5.064 4.225 1.00 0.00 C ATOM 1619 C GLY B 159 42.028 -5.681 2.933 1.00 0.00 C ATOM 1620 O GLY B 159 42.652 -6.543 2.344 1.00 0.00 O ATOM 0 H GLY B 159 44.471 -5.686 3.472 1.00 0.00 H new ATOM 0 HA2 GLY B 159 42.074 -5.508 5.088 1.00 0.00 H new ATOM 0 HA3 GLY B 159 42.356 -3.996 4.248 1.00 0.00 H new ATOM 1624 N ALA B 160 40.869 -5.242 2.493 1.00 0.00 N ATOM 1625 CA ALA B 160 40.252 -5.787 1.235 1.00 0.00 C ATOM 1626 C ALA B 160 40.135 -7.323 1.298 1.00 0.00 C ATOM 1627 O ALA B 160 39.149 -7.851 1.776 1.00 0.00 O ATOM 1628 CB ALA B 160 41.181 -5.338 0.097 1.00 0.00 C ATOM 0 H ALA B 160 40.317 -4.521 2.957 1.00 0.00 H new ATOM 0 HA ALA B 160 39.237 -5.418 1.087 1.00 0.00 H new ATOM 0 HB1 ALA B 160 40.792 -5.701 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA B 160 41.232 -4.249 0.077 1.00 0.00 H new ATOM 0 HB3 ALA B 160 42.179 -5.745 0.260 1.00 0.00 H new ATOM 1634 N ARG B 161 41.128 -8.043 0.826 1.00 0.00 N ATOM 1635 CA ARG B 161 41.068 -9.538 0.868 1.00 0.00 C ATOM 1636 C ARG B 161 42.423 -10.121 1.307 1.00 0.00 C ATOM 1637 O ARG B 161 42.805 -11.200 0.893 1.00 0.00 O ATOM 1638 CB ARG B 161 40.736 -9.956 -0.571 1.00 0.00 C ATOM 1639 CG ARG B 161 39.386 -10.678 -0.600 1.00 0.00 C ATOM 1640 CD ARG B 161 38.601 -10.258 -1.847 1.00 0.00 C ATOM 1641 NE ARG B 161 39.177 -11.068 -2.960 1.00 0.00 N ATOM 1642 CZ ARG B 161 39.894 -10.495 -3.886 1.00 0.00 C ATOM 1643 NH1 ARG B 161 39.312 -9.782 -4.809 1.00 0.00 N ATOM 1644 NH2 ARG B 161 41.189 -10.631 -3.883 1.00 0.00 N ATOM 0 H ARG B 161 41.977 -7.657 0.413 1.00 0.00 H new ATOM 0 HA ARG B 161 40.329 -9.903 1.582 1.00 0.00 H new ATOM 0 HB2 ARG B 161 40.704 -9.078 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG B 161 41.517 -10.609 -0.960 1.00 0.00 H new ATOM 0 HG2 ARG B 161 39.540 -11.757 -0.602 1.00 0.00 H new ATOM 0 HG3 ARG B 161 38.816 -10.439 0.298 1.00 0.00 H new ATOM 0 HD2 ARG B 161 37.536 -10.454 -1.727 1.00 0.00 H new ATOM 0 HD3 ARG B 161 38.709 -9.191 -2.040 1.00 0.00 H new ATOM 0 HE ARG B 161 39.009 -12.073 -2.996 1.00 0.00 H new ATOM 0 HH11 ARG B 161 38.298 -9.673 -4.806 1.00 0.00 H new ATOM 0 HH12 ARG B 161 39.871 -9.333 -5.534 1.00 0.00 H new ATOM 0 HH21 ARG B 161 41.642 -11.186 -3.157 1.00 0.00 H new ATOM 0 HH22 ARG B 161 41.751 -10.183 -4.607 1.00 0.00 H new ATOM 1658 N ALA B 162 43.153 -9.415 2.142 1.00 0.00 N ATOM 1659 CA ALA B 162 44.482 -9.929 2.602 1.00 0.00 C ATOM 1660 C ALA B 162 44.871 -9.304 3.953 1.00 0.00 C ATOM 1661 O ALA B 162 44.367 -8.263 4.335 1.00 0.00 O ATOM 1662 CB ALA B 162 45.464 -9.504 1.508 1.00 0.00 C ATOM 0 H ALA B 162 42.885 -8.508 2.523 1.00 0.00 H new ATOM 0 HA ALA B 162 44.475 -11.008 2.753 1.00 0.00 H new ATOM 0 HB1 ALA B 162 46.467 -9.843 1.768 1.00 0.00 H new ATOM 0 HB2 ALA B 162 45.165 -9.948 0.558 1.00 0.00 H new ATOM 0 HB3 ALA B 162 45.460 -8.418 1.418 1.00 0.00 H new ATOM 1668 N LYS B 163 45.766 -9.935 4.674 1.00 0.00 N ATOM 1669 CA LYS B 163 46.195 -9.389 6.000 1.00 0.00 C ATOM 1670 C LYS B 163 47.660 -9.757 6.282 1.00 0.00 C ATOM 1671 O LYS B 163 47.986 -10.932 6.205 1.00 0.00 O ATOM 1672 CB LYS B 163 45.263 -10.052 7.021 1.00 0.00 C ATOM 1673 CG LYS B 163 45.415 -9.368 8.383 1.00 0.00 C ATOM 1674 CD LYS B 163 45.917 -10.382 9.414 1.00 0.00 C ATOM 1675 CE LYS B 163 47.422 -10.195 9.631 1.00 0.00 C ATOM 1676 NZ LYS B 163 47.770 -11.121 10.747 1.00 0.00 N ATOM 1677 OXT LYS B 163 48.431 -8.856 6.571 1.00 0.00 O ATOM 0 H LYS B 163 46.219 -10.807 4.400 1.00 0.00 H new ATOM 0 HA LYS B 163 46.133 -8.301 6.038 1.00 0.00 H new ATOM 0 HB2 LYS B 163 44.229 -9.983 6.682 1.00 0.00 H new ATOM 0 HB3 LYS B 163 45.499 -11.112 7.108 1.00 0.00 H new ATOM 0 HG2 LYS B 163 46.114 -8.535 8.307 1.00 0.00 H new ATOM 0 HG3 LYS B 163 44.459 -8.953 8.702 1.00 0.00 H new ATOM 0 HD2 LYS B 163 45.385 -10.251 10.356 1.00 0.00 H new ATOM 0 HD3 LYS B 163 45.712 -11.396 9.071 1.00 0.00 H new ATOM 0 HE2 LYS B 163 47.984 -10.436 8.729 1.00 0.00 H new ATOM 0 HE3 LYS B 163 47.658 -9.162 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 48.787 -11.049 10.953 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 47.225 -10.863 11.595 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 47.541 -12.097 10.472 1.00 0.00 H new TER 1691 LYS B 163 HETATM 1692 CA CA A 90 69.717 -3.413 -2.695 1.00 0.00 CA HETATM 1693 OAA SXK A 91 57.361 10.912 -4.227 1.00 20.00 O HETATM 1694 OAB SXK A 91 58.658 11.458 -2.510 1.00 20.00 O HETATM 1695 CAE SXK A 91 56.414 0.774 -1.032 1.00 20.00 C HETATM 1696 CAF SXK A 91 56.622 6.322 -3.313 1.00 20.00 C HETATM 1697 CAG SXK A 91 57.956 6.343 -1.238 1.00 20.00 C HETATM 1698 CAH SXK A 91 56.558 4.913 -3.262 1.00 20.00 C HETATM 1699 CAI SXK A 91 57.896 4.933 -1.181 1.00 20.00 C HETATM 1700 CAJ SXK A 91 56.477 2.189 -1.070 1.00 20.00 C HETATM 1701 CAK SXK A 91 57.655 0.628 -3.139 1.00 20.00 C HETATM 1702 CAL SXK A 91 58.436 9.146 -2.996 1.00 20.00 C HETATM 1703 OAM SXK A 91 57.312 8.401 -2.468 1.00 20.00 O HETATM 1704 CAN SXK A 91 58.124 10.626 -3.270 1.00 20.00 C HETATM 1705 CAO SXK A 91 57.002 0.015 -2.064 1.00 20.00 C HETATM 1706 CAP SXK A 91 57.322 7.036 -2.299 1.00 20.00 C HETATM 1707 CAQ SXK A 91 57.722 2.041 -3.186 1.00 20.00 C HETATM 1708 CAR SXK A 91 57.196 4.218 -2.194 1.00 20.00 C HETATM 1709 CAS SXK A 91 57.131 2.815 -2.149 1.00 20.00 C HETATM 1710 FCC SXK A 91 56.933 -1.343 -2.011 1.00 20.00 F HETATM 1711 FDD SXK A 91 58.364 2.619 -4.248 1.00 20.00 F HETATM 0 HOAB SXK A 91 58.693 11.095 -1.600 1.00 20.00 H new HETATM 0 HALA SXK A 91 59.265 9.083 -2.291 1.00 20.00 H new HETATM 0 HAL SXK A 91 58.769 8.677 -3.922 1.00 20.00 H new HETATM 0 HAK SXK A 91 58.105 0.026 -3.928 1.00 20.00 H new HETATM 0 HAJ SXK A 91 56.026 2.784 -0.276 1.00 20.00 H new HETATM 0 HAI SXK A 91 58.382 4.396 -0.367 1.00 20.00 H new HETATM 0 HAH SXK A 91 56.024 4.360 -4.035 1.00 20.00 H new HETATM 0 HAG SXK A 91 58.490 6.898 -0.466 1.00 20.00 H new HETATM 0 HAF SXK A 91 56.137 6.862 -4.126 1.00 20.00 H new HETATM 0 HAE SXK A 91 55.911 0.273 -0.205 1.00 20.00 H new