USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 SER OG : rot -124:sc= 0.0289 USER MOD Set 1.2: A 83 THR OG1 : rot 80:sc= 0.882 USER MOD Set 2.1: A 29 MET CE :methyl 137:sc= -0.189 (180deg=0) USER MOD Set 2.2: A 32 THR OG1 : rot 140:sc= -0.0272 USER MOD Set 3.1: A 2 SER OG : rot 42:sc= 0.332 USER MOD Set 3.2: A 46 HIS : no HE2:sc= 0.347 K(o=0.68,f=-2.3) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0174 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 36:sc= 0.355 USER MOD Single : A 6 SER OG : rot -56:sc= 1.17 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.000309 K(o=-0.00031,f=-1) USER MOD Single : A 34 SER OG : rot 160:sc= -2.66 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -48:sc= 1.04 USER MOD Single : A 44 GLN : amide:sc= -0.0038 X(o=-0.0038,f=-0.16) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 64 MET CE :methyl 170:sc=-0.000632 (180deg=-0.0288) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 66 HIS : no HE2:sc= -6.19! C(o=-6.2!,f=-11!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 71 ASN :FLIP amide:sc= -3.49! C(o=-4.3!,f=-3.5!) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.199) USER MOD Single : A 74 LYS NZ :NH3+ -162:sc= 0.322 (180deg=0.154) USER MOD Single : A 76 CYS SG : rot 27:sc= -0.831 USER MOD Single : A 77 THR OG1 : rot -28:sc= 0.887 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -141:sc= -3.14! (180deg=-4.46!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.889 -16.532 15.693 1.00 0.00 N ATOM 2 CA GLY A 1 1.794 -16.174 14.288 1.00 0.00 C ATOM 3 C GLY A 1 0.372 -15.741 13.927 1.00 0.00 C ATOM 4 O GLY A 1 -0.599 -16.308 14.426 1.00 0.00 O ATOM 0 H1 GLY A 1 2.587 -17.294 15.811 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.188 -15.702 16.243 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.961 -16.857 16.032 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.491 -15.366 14.067 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.086 -17.024 13.672 1.00 0.00 H new ATOM 8 N SER A 2 0.293 -14.739 13.063 1.00 0.00 N ATOM 9 CA SER A 2 -0.994 -14.224 12.630 1.00 0.00 C ATOM 10 C SER A 2 -1.784 -13.710 13.835 1.00 0.00 C ATOM 11 O SER A 2 -2.284 -14.498 14.636 1.00 0.00 O ATOM 12 CB SER A 2 -1.795 -15.295 11.888 1.00 0.00 C ATOM 13 OG SER A 2 -1.188 -15.654 10.650 1.00 0.00 O ATOM 0 H SER A 2 1.100 -14.270 12.651 1.00 0.00 H new ATOM 0 HA SER A 2 -0.817 -13.399 11.940 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.886 -16.180 12.517 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.805 -14.929 11.704 1.00 0.00 H new ATOM 0 HG SER A 2 -0.218 -15.723 10.769 1.00 0.00 H new ATOM 19 N SER A 3 -1.873 -12.391 13.926 1.00 0.00 N ATOM 20 CA SER A 3 -2.594 -11.763 15.020 1.00 0.00 C ATOM 21 C SER A 3 -4.023 -12.305 15.084 1.00 0.00 C ATOM 22 O SER A 3 -4.433 -12.867 16.099 1.00 0.00 O ATOM 23 CB SER A 3 -2.610 -10.241 14.867 1.00 0.00 C ATOM 24 OG SER A 3 -1.297 -9.687 14.902 1.00 0.00 O ATOM 0 H SER A 3 -1.458 -11.740 13.260 1.00 0.00 H new ATOM 0 HA SER A 3 -2.079 -12.002 15.951 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.090 -9.976 13.925 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.210 -9.803 15.665 1.00 0.00 H new ATOM 0 HG SER A 3 -1.350 -8.714 14.799 1.00 0.00 H new ATOM 30 N GLY A 4 -4.743 -12.117 13.988 1.00 0.00 N ATOM 31 CA GLY A 4 -6.118 -12.580 13.906 1.00 0.00 C ATOM 32 C GLY A 4 -7.051 -11.452 13.462 1.00 0.00 C ATOM 33 O GLY A 4 -7.451 -11.394 12.300 1.00 0.00 O ATOM 0 H GLY A 4 -4.400 -11.650 13.149 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.185 -13.410 13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.436 -12.959 14.877 1.00 0.00 H new ATOM 37 N SER A 5 -7.370 -10.583 14.409 1.00 0.00 N ATOM 38 CA SER A 5 -8.249 -9.460 14.130 1.00 0.00 C ATOM 39 C SER A 5 -7.491 -8.144 14.316 1.00 0.00 C ATOM 40 O SER A 5 -7.027 -7.840 15.415 1.00 0.00 O ATOM 41 CB SER A 5 -9.487 -9.492 15.028 1.00 0.00 C ATOM 42 OG SER A 5 -9.146 -9.414 16.410 1.00 0.00 O ATOM 0 H SER A 5 -7.035 -10.634 15.371 1.00 0.00 H new ATOM 0 HA SER A 5 -8.583 -9.536 13.095 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.144 -8.662 14.769 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.045 -10.410 14.843 1.00 0.00 H new ATOM 0 HG SER A 5 -8.375 -8.819 16.524 1.00 0.00 H new ATOM 48 N SER A 6 -7.389 -7.397 13.227 1.00 0.00 N ATOM 49 CA SER A 6 -6.696 -6.120 13.256 1.00 0.00 C ATOM 50 C SER A 6 -5.286 -6.304 13.822 1.00 0.00 C ATOM 51 O SER A 6 -4.925 -7.396 14.259 1.00 0.00 O ATOM 52 CB SER A 6 -7.470 -5.092 14.084 1.00 0.00 C ATOM 53 OG SER A 6 -7.195 -5.212 15.477 1.00 0.00 O ATOM 0 H SER A 6 -7.775 -7.652 12.318 1.00 0.00 H new ATOM 0 HA SER A 6 -6.626 -5.745 12.235 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.211 -4.088 13.749 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.539 -5.220 13.913 1.00 0.00 H new ATOM 0 HG SER A 6 -7.384 -6.128 15.770 1.00 0.00 H new ATOM 59 N GLY A 7 -4.526 -5.218 13.795 1.00 0.00 N ATOM 60 CA GLY A 7 -3.164 -5.246 14.300 1.00 0.00 C ATOM 61 C GLY A 7 -2.212 -4.517 13.349 1.00 0.00 C ATOM 62 O GLY A 7 -2.436 -4.492 12.140 1.00 0.00 O ATOM 0 H GLY A 7 -4.828 -4.314 13.431 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.128 -4.780 15.285 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.839 -6.279 14.424 1.00 0.00 H new ATOM 66 N SER A 8 -1.171 -3.942 13.932 1.00 0.00 N ATOM 67 CA SER A 8 -0.184 -3.214 13.151 1.00 0.00 C ATOM 68 C SER A 8 0.975 -4.141 12.778 1.00 0.00 C ATOM 69 O SER A 8 1.271 -5.093 13.500 1.00 0.00 O ATOM 70 CB SER A 8 0.336 -1.997 13.918 1.00 0.00 C ATOM 71 OG SER A 8 0.555 -2.287 15.296 1.00 0.00 O ATOM 0 H SER A 8 -0.989 -3.965 14.935 1.00 0.00 H new ATOM 0 HA SER A 8 -0.664 -2.858 12.240 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.268 -1.655 13.467 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.380 -1.180 13.829 1.00 0.00 H new ATOM 0 HG SER A 8 0.888 -1.485 15.750 1.00 0.00 H new ATOM 77 N VAL A 9 1.600 -3.831 11.652 1.00 0.00 N ATOM 78 CA VAL A 9 2.720 -4.624 11.174 1.00 0.00 C ATOM 79 C VAL A 9 3.949 -3.725 11.025 1.00 0.00 C ATOM 80 O VAL A 9 3.828 -2.501 10.997 1.00 0.00 O ATOM 81 CB VAL A 9 2.340 -5.337 9.875 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.534 -4.414 8.959 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.582 -5.872 9.160 1.00 0.00 C ATOM 0 H VAL A 9 1.352 -3.041 11.056 1.00 0.00 H new ATOM 0 HA VAL A 9 2.972 -5.402 11.894 1.00 0.00 H new ATOM 0 HB VAL A 9 1.709 -6.188 10.132 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.277 -4.945 8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.621 -4.104 9.467 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.129 -3.535 8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.284 -6.374 8.240 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.250 -5.044 8.922 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.099 -6.579 9.809 1.00 0.00 H new ATOM 93 N SER A 10 5.104 -4.367 10.934 1.00 0.00 N ATOM 94 CA SER A 10 6.354 -3.641 10.789 1.00 0.00 C ATOM 95 C SER A 10 7.198 -4.268 9.677 1.00 0.00 C ATOM 96 O SER A 10 7.624 -5.416 9.790 1.00 0.00 O ATOM 97 CB SER A 10 7.137 -3.623 12.103 1.00 0.00 C ATOM 98 OG SER A 10 8.376 -2.931 11.977 1.00 0.00 O ATOM 0 H SER A 10 5.201 -5.382 10.958 1.00 0.00 H new ATOM 0 HA SER A 10 6.121 -2.610 10.522 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.534 -3.149 12.878 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.325 -4.647 12.427 1.00 0.00 H new ATOM 0 HG SER A 10 8.845 -2.940 12.837 1.00 0.00 H new ATOM 104 N LEU A 11 7.413 -3.487 8.629 1.00 0.00 N ATOM 105 CA LEU A 11 8.198 -3.952 7.497 1.00 0.00 C ATOM 106 C LEU A 11 9.596 -3.334 7.564 1.00 0.00 C ATOM 107 O LEU A 11 9.766 -2.229 8.075 1.00 0.00 O ATOM 108 CB LEU A 11 7.463 -3.672 6.185 1.00 0.00 C ATOM 109 CG LEU A 11 6.087 -4.323 6.034 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.565 -4.176 4.604 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.119 -5.785 6.485 1.00 0.00 C ATOM 0 H LEU A 11 7.058 -2.535 8.539 1.00 0.00 H new ATOM 0 HA LEU A 11 8.325 -5.034 7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.346 -2.593 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.093 -4.006 5.360 1.00 0.00 H new ATOM 0 HG LEU A 11 5.389 -3.800 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.585 -4.647 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.480 -3.118 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.257 -4.657 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.128 -6.224 6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.835 -6.338 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.416 -5.836 7.532 1.00 0.00 H new ATOM 123 N VAL A 12 10.561 -4.075 7.040 1.00 0.00 N ATOM 124 CA VAL A 12 11.939 -3.614 7.033 1.00 0.00 C ATOM 125 C VAL A 12 12.417 -3.471 5.587 1.00 0.00 C ATOM 126 O VAL A 12 12.668 -4.467 4.911 1.00 0.00 O ATOM 127 CB VAL A 12 12.811 -4.560 7.861 1.00 0.00 C ATOM 128 CG1 VAL A 12 14.289 -4.177 7.755 1.00 0.00 C ATOM 129 CG2 VAL A 12 12.356 -4.590 9.321 1.00 0.00 C ATOM 0 H VAL A 12 10.416 -4.992 6.617 1.00 0.00 H new ATOM 0 HA VAL A 12 12.016 -2.632 7.499 1.00 0.00 H new ATOM 0 HB VAL A 12 12.695 -5.564 7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.887 -4.865 8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.605 -4.232 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.429 -3.161 8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.993 -5.270 9.887 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.428 -3.588 9.745 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.323 -4.933 9.373 1.00 0.00 H new ATOM 139 N GLY A 13 12.529 -2.223 5.155 1.00 0.00 N ATOM 140 CA GLY A 13 12.973 -1.937 3.802 1.00 0.00 C ATOM 141 C GLY A 13 13.084 -0.429 3.569 1.00 0.00 C ATOM 142 O GLY A 13 12.441 0.359 4.261 1.00 0.00 O ATOM 0 H GLY A 13 12.320 -1.399 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.940 -2.408 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.273 -2.369 3.087 1.00 0.00 H new ATOM 146 N PRO A 14 13.926 -0.063 2.565 1.00 0.00 N ATOM 147 CA PRO A 14 14.129 1.337 2.232 1.00 0.00 C ATOM 148 C PRO A 14 12.926 1.901 1.474 1.00 0.00 C ATOM 149 O PRO A 14 12.874 3.095 1.185 1.00 0.00 O ATOM 150 CB PRO A 14 15.411 1.365 1.416 1.00 0.00 C ATOM 151 CG PRO A 14 15.627 -0.059 0.930 1.00 0.00 C ATOM 152 CD PRO A 14 14.704 -0.968 1.725 1.00 0.00 C ATOM 0 HA PRO A 14 14.220 1.970 3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.325 2.055 0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.252 1.703 2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.412 -0.135 -0.136 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.667 -0.356 1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.059 -1.550 1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.270 -1.679 2.327 1.00 0.00 H new ATOM 160 N ALA A 15 11.988 1.014 1.174 1.00 0.00 N ATOM 161 CA ALA A 15 10.788 1.408 0.455 1.00 0.00 C ATOM 162 C ALA A 15 10.127 0.165 -0.144 1.00 0.00 C ATOM 163 O ALA A 15 8.928 -0.047 0.027 1.00 0.00 O ATOM 164 CB ALA A 15 11.149 2.447 -0.609 1.00 0.00 C ATOM 0 H ALA A 15 12.035 0.024 1.416 1.00 0.00 H new ATOM 0 HA ALA A 15 10.069 1.870 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.249 2.743 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.589 3.322 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.867 2.018 -1.308 1.00 0.00 H new ATOM 170 N PRO A 16 10.959 -0.644 -0.853 1.00 0.00 N ATOM 171 CA PRO A 16 10.467 -1.860 -1.478 1.00 0.00 C ATOM 172 C PRO A 16 10.233 -2.956 -0.437 1.00 0.00 C ATOM 173 O PRO A 16 11.041 -3.873 -0.303 1.00 0.00 O ATOM 174 CB PRO A 16 11.527 -2.231 -2.503 1.00 0.00 C ATOM 175 CG PRO A 16 12.784 -1.480 -2.094 1.00 0.00 C ATOM 176 CD PRO A 16 12.385 -0.423 -1.077 1.00 0.00 C ATOM 0 HA PRO A 16 9.498 -1.724 -1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.701 -3.307 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.214 -1.949 -3.508 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.516 -2.165 -1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.252 -1.017 -2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.952 -0.529 -0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.576 0.582 -1.454 1.00 0.00 H new ATOM 184 N TRP A 17 9.122 -2.824 0.274 1.00 0.00 N ATOM 185 CA TRP A 17 8.771 -3.791 1.300 1.00 0.00 C ATOM 186 C TRP A 17 8.385 -5.098 0.604 1.00 0.00 C ATOM 187 O TRP A 17 8.505 -6.175 1.187 1.00 0.00 O ATOM 188 CB TRP A 17 7.666 -3.250 2.209 1.00 0.00 C ATOM 189 CG TRP A 17 7.733 -1.738 2.436 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.130 -0.771 1.731 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.470 -1.056 3.472 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.424 0.480 2.235 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.265 0.301 3.327 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.284 -1.568 4.498 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.839 1.258 4.173 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.850 -0.599 5.334 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.654 0.771 5.202 1.00 0.00 C ATOM 0 H TRP A 17 8.454 -2.062 0.159 1.00 0.00 H new ATOM 0 HA TRP A 17 9.620 -3.982 1.956 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.698 -3.500 1.775 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.723 -3.755 3.173 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.494 -0.948 0.876 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.086 1.372 1.873 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.459 -2.626 4.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.662 2.315 4.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.484 -0.940 6.139 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.128 1.456 5.890 1.00 0.00 H new ATOM 208 N GLY A 18 7.929 -4.961 -0.633 1.00 0.00 N ATOM 209 CA GLY A 18 7.525 -6.118 -1.414 1.00 0.00 C ATOM 210 C GLY A 18 6.001 -6.195 -1.531 1.00 0.00 C ATOM 211 O GLY A 18 5.439 -7.282 -1.655 1.00 0.00 O ATOM 0 H GLY A 18 7.830 -4.067 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.967 -6.062 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.904 -7.027 -0.947 1.00 0.00 H new ATOM 215 N PHE A 19 5.377 -5.027 -1.488 1.00 0.00 N ATOM 216 CA PHE A 19 3.929 -4.948 -1.588 1.00 0.00 C ATOM 217 C PHE A 19 3.496 -3.645 -2.261 1.00 0.00 C ATOM 218 O PHE A 19 4.175 -2.626 -2.144 1.00 0.00 O ATOM 219 CB PHE A 19 3.380 -4.978 -0.161 1.00 0.00 C ATOM 220 CG PHE A 19 3.398 -3.619 0.542 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.583 -2.620 0.110 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.230 -3.411 1.598 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.600 -1.358 0.762 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.247 -2.149 2.250 1.00 0.00 C ATOM 225 CZ PHE A 19 3.432 -1.150 1.818 1.00 0.00 C ATOM 0 H PHE A 19 5.847 -4.128 -1.385 1.00 0.00 H new ATOM 0 HA PHE A 19 3.552 -5.777 -2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.356 -5.350 -0.185 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.963 -5.687 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.923 -2.786 -0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.877 -4.205 1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.953 -0.564 0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.907 -1.983 3.089 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.445 -0.191 2.314 1.00 0.00 H new ATOM 235 N ARG A 20 2.368 -3.719 -2.952 1.00 0.00 N ATOM 236 CA ARG A 20 1.836 -2.558 -3.644 1.00 0.00 C ATOM 237 C ARG A 20 0.506 -2.130 -3.020 1.00 0.00 C ATOM 238 O ARG A 20 -0.002 -2.795 -2.118 1.00 0.00 O ATOM 239 CB ARG A 20 1.622 -2.852 -5.130 1.00 0.00 C ATOM 240 CG ARG A 20 2.930 -2.709 -5.911 1.00 0.00 C ATOM 241 CD ARG A 20 2.867 -1.522 -6.874 1.00 0.00 C ATOM 242 NE ARG A 20 2.044 -1.869 -8.054 1.00 0.00 N ATOM 243 CZ ARG A 20 1.686 -0.995 -9.004 1.00 0.00 C ATOM 244 NH1 ARG A 20 2.077 0.284 -8.919 1.00 0.00 N ATOM 245 NH2 ARG A 20 0.938 -1.400 -10.039 1.00 0.00 N ATOM 0 H ARG A 20 1.808 -4.566 -3.047 1.00 0.00 H new ATOM 0 HA ARG A 20 2.564 -1.752 -3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.230 -3.862 -5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.875 -2.169 -5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.759 -2.575 -5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.126 -3.624 -6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.443 -0.655 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.873 -1.246 -7.191 1.00 0.00 H new ATOM 0 HE ARG A 20 1.730 -2.835 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.647 0.592 -8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.805 0.950 -9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.641 -2.374 -10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.665 -0.735 -10.762 1.00 0.00 H new ATOM 259 N LEU A 21 -0.019 -1.023 -3.524 1.00 0.00 N ATOM 260 CA LEU A 21 -1.280 -0.499 -3.026 1.00 0.00 C ATOM 261 C LEU A 21 -2.162 -0.095 -4.210 1.00 0.00 C ATOM 262 O LEU A 21 -1.655 0.251 -5.276 1.00 0.00 O ATOM 263 CB LEU A 21 -1.033 0.634 -2.028 1.00 0.00 C ATOM 264 CG LEU A 21 -0.391 0.229 -0.700 1.00 0.00 C ATOM 265 CD1 LEU A 21 0.129 1.455 0.053 1.00 0.00 C ATOM 266 CD2 LEU A 21 -1.360 -0.596 0.149 1.00 0.00 C ATOM 0 H LEU A 21 0.405 -0.474 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.820 -1.267 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.396 1.379 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.986 1.119 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 21 0.468 -0.406 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.581 1.140 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.876 1.966 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.698 2.134 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.878 -0.871 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.253 -0.007 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.640 -1.499 -0.393 1.00 0.00 H new ATOM 278 N GLN A 22 -3.465 -0.154 -3.982 1.00 0.00 N ATOM 279 CA GLN A 22 -4.422 0.202 -5.016 1.00 0.00 C ATOM 280 C GLN A 22 -5.726 0.695 -4.385 1.00 0.00 C ATOM 281 O GLN A 22 -6.153 0.183 -3.352 1.00 0.00 O ATOM 282 CB GLN A 22 -4.680 -0.979 -5.954 1.00 0.00 C ATOM 283 CG GLN A 22 -5.225 -2.183 -5.183 1.00 0.00 C ATOM 284 CD GLN A 22 -5.627 -3.309 -6.138 1.00 0.00 C ATOM 285 OE1 GLN A 22 -5.505 -3.206 -7.348 1.00 0.00 O ATOM 286 NE2 GLN A 22 -6.114 -4.387 -5.529 1.00 0.00 N ATOM 0 H GLN A 22 -3.881 -0.443 -3.097 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.000 1.012 -5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.391 -0.686 -6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.755 -1.255 -6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.470 -2.545 -4.486 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.087 -1.879 -4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.189 -4.408 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.412 -5.193 -6.079 1.00 0.00 H new ATOM 295 N GLY A 23 -6.323 1.684 -5.035 1.00 0.00 N ATOM 296 CA GLY A 23 -7.569 2.253 -4.551 1.00 0.00 C ATOM 297 C GLY A 23 -7.346 3.652 -3.974 1.00 0.00 C ATOM 298 O GLY A 23 -6.367 4.317 -4.309 1.00 0.00 O ATOM 0 H GLY A 23 -5.966 2.105 -5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.291 2.303 -5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.996 1.604 -3.786 1.00 0.00 H new ATOM 302 N GLY A 24 -8.271 4.058 -3.117 1.00 0.00 N ATOM 303 CA GLY A 24 -8.188 5.367 -2.490 1.00 0.00 C ATOM 304 C GLY A 24 -9.446 6.190 -2.772 1.00 0.00 C ATOM 305 O GLY A 24 -10.431 5.668 -3.290 1.00 0.00 O ATOM 0 H GLY A 24 -9.082 3.504 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.058 5.251 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.311 5.897 -2.862 1.00 0.00 H new ATOM 309 N LYS A 25 -9.371 7.465 -2.418 1.00 0.00 N ATOM 310 CA LYS A 25 -10.492 8.366 -2.626 1.00 0.00 C ATOM 311 C LYS A 25 -10.657 8.630 -4.124 1.00 0.00 C ATOM 312 O LYS A 25 -11.729 8.406 -4.683 1.00 0.00 O ATOM 313 CB LYS A 25 -10.319 9.638 -1.793 1.00 0.00 C ATOM 314 CG LYS A 25 -11.641 10.053 -1.145 1.00 0.00 C ATOM 315 CD LYS A 25 -11.510 10.117 0.378 1.00 0.00 C ATOM 316 CE LYS A 25 -10.893 11.445 0.820 1.00 0.00 C ATOM 317 NZ LYS A 25 -11.925 12.505 0.870 1.00 0.00 N ATOM 0 H LYS A 25 -8.552 7.895 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.418 7.908 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.568 9.472 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.952 10.445 -2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.948 11.026 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.422 9.343 -1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.492 9.998 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.892 9.290 0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.433 11.330 1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.101 11.733 0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.489 13.400 1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.345 12.625 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.667 12.236 1.547 1.00 0.00 H new ATOM 331 N ASP A 26 -9.579 9.104 -4.731 1.00 0.00 N ATOM 332 CA ASP A 26 -9.590 9.401 -6.153 1.00 0.00 C ATOM 333 C ASP A 26 -9.995 8.145 -6.929 1.00 0.00 C ATOM 334 O ASP A 26 -10.411 8.231 -8.083 1.00 0.00 O ATOM 335 CB ASP A 26 -8.204 9.830 -6.638 1.00 0.00 C ATOM 336 CG ASP A 26 -7.982 9.713 -8.147 1.00 0.00 C ATOM 337 OD1 ASP A 26 -8.790 10.314 -8.888 1.00 0.00 O ATOM 338 OD2 ASP A 26 -7.009 9.026 -8.526 1.00 0.00 O ATOM 0 H ASP A 26 -8.692 9.290 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.298 10.213 -6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.036 10.865 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.454 9.226 -6.128 1.00 0.00 H new ATOM 343 N PHE A 27 -9.857 7.008 -6.264 1.00 0.00 N ATOM 344 CA PHE A 27 -10.203 5.736 -6.876 1.00 0.00 C ATOM 345 C PHE A 27 -11.623 5.312 -6.495 1.00 0.00 C ATOM 346 O PHE A 27 -12.233 4.491 -7.177 1.00 0.00 O ATOM 347 CB PHE A 27 -9.213 4.699 -6.342 1.00 0.00 C ATOM 348 CG PHE A 27 -7.823 4.782 -6.975 1.00 0.00 C ATOM 349 CD1 PHE A 27 -7.113 5.940 -6.907 1.00 0.00 C ATOM 350 CD2 PHE A 27 -7.297 3.698 -7.607 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.822 6.017 -7.495 1.00 0.00 C ATOM 352 CE2 PHE A 27 -6.007 3.775 -8.195 1.00 0.00 C ATOM 353 CZ PHE A 27 -5.297 4.933 -8.126 1.00 0.00 C ATOM 0 H PHE A 27 -9.510 6.941 -5.307 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.157 5.821 -7.962 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -9.118 4.824 -5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.620 3.702 -6.512 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.531 6.801 -6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.861 2.779 -7.661 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.258 6.936 -7.441 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.590 2.914 -8.697 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.315 4.992 -8.573 1.00 0.00 H new ATOM 363 N ASN A 28 -12.107 5.891 -5.406 1.00 0.00 N ATOM 364 CA ASN A 28 -13.444 5.584 -4.926 1.00 0.00 C ATOM 365 C ASN A 28 -13.451 4.182 -4.313 1.00 0.00 C ATOM 366 O ASN A 28 -14.370 3.400 -4.553 1.00 0.00 O ATOM 367 CB ASN A 28 -14.458 5.604 -6.071 1.00 0.00 C ATOM 368 CG ASN A 28 -15.865 5.905 -5.551 1.00 0.00 C ATOM 369 OD1 ASN A 28 -16.228 5.569 -4.436 1.00 0.00 O ATOM 370 ND2 ASN A 28 -16.635 6.555 -6.419 1.00 0.00 N ATOM 0 H ASN A 28 -11.597 6.571 -4.842 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.719 6.337 -4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -14.169 6.356 -6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.453 4.642 -6.583 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -17.592 6.802 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.269 6.807 -7.337 1.00 0.00 H new ATOM 377 N MET A 29 -12.415 3.906 -3.534 1.00 0.00 N ATOM 378 CA MET A 29 -12.290 2.612 -2.885 1.00 0.00 C ATOM 379 C MET A 29 -11.249 2.659 -1.765 1.00 0.00 C ATOM 380 O MET A 29 -10.455 3.595 -1.690 1.00 0.00 O ATOM 381 CB MET A 29 -11.883 1.560 -3.918 1.00 0.00 C ATOM 382 CG MET A 29 -10.360 1.467 -4.036 1.00 0.00 C ATOM 383 SD MET A 29 -9.916 0.286 -5.297 1.00 0.00 S ATOM 384 CE MET A 29 -9.366 -1.069 -4.274 1.00 0.00 C ATOM 0 H MET A 29 -11.654 4.557 -3.338 1.00 0.00 H new ATOM 0 HA MET A 29 -13.254 2.350 -2.448 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.289 0.589 -3.633 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.312 1.813 -4.888 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.946 2.445 -4.280 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.931 1.169 -3.080 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.757 -2.006 -4.670 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.277 -1.103 -4.270 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.728 -0.927 -3.256 1.00 0.00 H new ATOM 394 N PRO A 30 -11.287 1.609 -0.901 1.00 0.00 N ATOM 395 CA PRO A 30 -10.356 1.521 0.211 1.00 0.00 C ATOM 396 C PRO A 30 -8.961 1.118 -0.272 1.00 0.00 C ATOM 397 O PRO A 30 -8.819 0.501 -1.327 1.00 0.00 O ATOM 398 CB PRO A 30 -10.972 0.507 1.160 1.00 0.00 C ATOM 399 CG PRO A 30 -11.980 -0.277 0.336 1.00 0.00 C ATOM 400 CD PRO A 30 -12.213 0.482 -0.960 1.00 0.00 C ATOM 0 HA PRO A 30 -10.208 2.477 0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.210 -0.152 1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.457 1.003 2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.607 -1.280 0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.915 -0.392 0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.016 -0.147 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.246 0.822 -1.040 1.00 0.00 H new ATOM 408 N LEU A 31 -7.966 1.483 0.523 1.00 0.00 N ATOM 409 CA LEU A 31 -6.587 1.168 0.190 1.00 0.00 C ATOM 410 C LEU A 31 -6.329 -0.316 0.460 1.00 0.00 C ATOM 411 O LEU A 31 -6.327 -0.749 1.611 1.00 0.00 O ATOM 412 CB LEU A 31 -5.629 2.104 0.930 1.00 0.00 C ATOM 413 CG LEU A 31 -5.645 3.567 0.485 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.710 4.506 1.691 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.450 3.878 -0.420 1.00 0.00 C ATOM 0 H LEU A 31 -8.087 1.994 1.397 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.403 1.337 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.864 2.066 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.615 1.720 0.814 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.547 3.735 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.720 5.540 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.617 4.304 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.839 4.344 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.485 4.925 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.524 3.688 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.489 3.243 -1.305 1.00 0.00 H new ATOM 427 N THR A 32 -6.117 -1.053 -0.620 1.00 0.00 N ATOM 428 CA THR A 32 -5.858 -2.479 -0.514 1.00 0.00 C ATOM 429 C THR A 32 -4.467 -2.811 -1.058 1.00 0.00 C ATOM 430 O THR A 32 -3.833 -1.976 -1.701 1.00 0.00 O ATOM 431 CB THR A 32 -6.986 -3.220 -1.236 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.405 -2.309 -2.249 1.00 0.00 O ATOM 433 CG2 THR A 32 -8.226 -3.398 -0.359 1.00 0.00 C ATOM 0 H THR A 32 -6.119 -0.690 -1.573 1.00 0.00 H new ATOM 0 HA THR A 32 -5.851 -2.803 0.527 1.00 0.00 H new ATOM 0 HB THR A 32 -6.629 -4.197 -1.561 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.590 -2.802 -3.076 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.995 -3.929 -0.920 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.964 -3.972 0.530 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.604 -2.420 -0.061 1.00 0.00 H new ATOM 441 N ILE A 33 -4.033 -4.031 -0.779 1.00 0.00 N ATOM 442 CA ILE A 33 -2.729 -4.483 -1.233 1.00 0.00 C ATOM 443 C ILE A 33 -2.812 -4.865 -2.712 1.00 0.00 C ATOM 444 O ILE A 33 -3.277 -5.952 -3.051 1.00 0.00 O ATOM 445 CB ILE A 33 -2.211 -5.609 -0.335 1.00 0.00 C ATOM 446 CG1 ILE A 33 -2.054 -5.130 1.110 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.910 -6.196 -0.888 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.912 -4.120 1.232 1.00 0.00 C ATOM 0 H ILE A 33 -4.561 -4.721 -0.244 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.998 -3.679 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.950 -6.410 -0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.985 -4.675 1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.861 -5.983 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.563 -6.994 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.087 -6.598 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.152 -5.415 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.822 -3.796 2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.021 -4.586 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.120 -3.257 0.599 1.00 0.00 H new ATOM 460 N SER A 34 -2.354 -3.949 -3.553 1.00 0.00 N ATOM 461 CA SER A 34 -2.371 -4.176 -4.988 1.00 0.00 C ATOM 462 C SER A 34 -1.846 -5.578 -5.302 1.00 0.00 C ATOM 463 O SER A 34 -2.555 -6.393 -5.891 1.00 0.00 O ATOM 464 CB SER A 34 -1.540 -3.121 -5.722 1.00 0.00 C ATOM 465 OG SER A 34 -0.538 -3.710 -6.547 1.00 0.00 O ATOM 0 H SER A 34 -1.969 -3.048 -3.268 1.00 0.00 H new ATOM 0 HA SER A 34 -3.401 -4.095 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.197 -2.504 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.068 -2.460 -4.995 1.00 0.00 H new ATOM 0 HG SER A 34 -0.251 -3.063 -7.225 1.00 0.00 H new ATOM 471 N SER A 35 -0.608 -5.817 -4.895 1.00 0.00 N ATOM 472 CA SER A 35 0.020 -7.106 -5.126 1.00 0.00 C ATOM 473 C SER A 35 1.094 -7.362 -4.067 1.00 0.00 C ATOM 474 O SER A 35 1.375 -6.496 -3.240 1.00 0.00 O ATOM 475 CB SER A 35 0.629 -7.180 -6.528 1.00 0.00 C ATOM 476 OG SER A 35 -0.074 -8.091 -7.368 1.00 0.00 O ATOM 0 H SER A 35 -0.023 -5.139 -4.406 1.00 0.00 H new ATOM 0 HA SER A 35 -0.746 -7.877 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.619 -6.188 -6.980 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.672 -7.486 -6.454 1.00 0.00 H new ATOM 0 HG SER A 35 0.344 -8.108 -8.254 1.00 0.00 H new ATOM 482 N LEU A 36 1.666 -8.556 -4.127 1.00 0.00 N ATOM 483 CA LEU A 36 2.703 -8.937 -3.183 1.00 0.00 C ATOM 484 C LEU A 36 3.992 -9.248 -3.947 1.00 0.00 C ATOM 485 O LEU A 36 3.966 -9.453 -5.159 1.00 0.00 O ATOM 486 CB LEU A 36 2.223 -10.085 -2.294 1.00 0.00 C ATOM 487 CG LEU A 36 2.091 -9.769 -0.803 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.427 -9.960 -0.082 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.520 -8.366 -0.588 1.00 0.00 C ATOM 0 H LEU A 36 1.431 -9.272 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 36 2.924 -8.112 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.253 -10.421 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.914 -10.920 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 36 1.385 -10.475 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.306 -9.729 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.756 -10.993 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.173 -9.294 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.437 -8.167 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.182 -7.630 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.534 -8.300 -1.047 1.00 0.00 H new ATOM 501 N LYS A 37 5.090 -9.274 -3.205 1.00 0.00 N ATOM 502 CA LYS A 37 6.386 -9.557 -3.797 1.00 0.00 C ATOM 503 C LYS A 37 6.861 -10.937 -3.339 1.00 0.00 C ATOM 504 O LYS A 37 6.881 -11.225 -2.143 1.00 0.00 O ATOM 505 CB LYS A 37 7.375 -8.432 -3.486 1.00 0.00 C ATOM 506 CG LYS A 37 8.758 -8.741 -4.063 1.00 0.00 C ATOM 507 CD LYS A 37 9.364 -7.503 -4.726 1.00 0.00 C ATOM 508 CE LYS A 37 10.756 -7.807 -5.285 1.00 0.00 C ATOM 509 NZ LYS A 37 10.653 -8.417 -6.629 1.00 0.00 N ATOM 0 H LYS A 37 5.108 -9.104 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 37 6.309 -9.590 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.006 -7.494 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.449 -8.297 -2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.417 -9.092 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.680 -9.547 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.712 -7.160 -5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.429 -6.692 -4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.341 -6.889 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.285 -8.482 -4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.606 -8.617 -6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.113 -9.304 -6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.167 -7.760 -7.272 1.00 0.00 H new ATOM 523 N ASP A 38 7.232 -11.755 -4.313 1.00 0.00 N ATOM 524 CA ASP A 38 7.706 -13.097 -4.025 1.00 0.00 C ATOM 525 C ASP A 38 8.662 -13.051 -2.832 1.00 0.00 C ATOM 526 O ASP A 38 9.678 -12.358 -2.873 1.00 0.00 O ATOM 527 CB ASP A 38 8.465 -13.682 -5.217 1.00 0.00 C ATOM 528 CG ASP A 38 7.746 -14.817 -5.949 1.00 0.00 C ATOM 529 OD1 ASP A 38 7.452 -15.829 -5.277 1.00 0.00 O ATOM 530 OD2 ASP A 38 7.506 -14.646 -7.164 1.00 0.00 O ATOM 0 H ASP A 38 7.214 -11.513 -5.304 1.00 0.00 H new ATOM 0 HA ASP A 38 6.839 -13.721 -3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.666 -12.881 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.431 -14.049 -4.869 1.00 0.00 H new ATOM 535 N GLY A 39 8.304 -13.797 -1.797 1.00 0.00 N ATOM 536 CA GLY A 39 9.118 -13.849 -0.594 1.00 0.00 C ATOM 537 C GLY A 39 9.551 -12.446 -0.164 1.00 0.00 C ATOM 538 O GLY A 39 10.740 -12.189 0.020 1.00 0.00 O ATOM 0 H GLY A 39 7.461 -14.371 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.555 -14.322 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.998 -14.466 -0.773 1.00 0.00 H new ATOM 542 N GLY A 40 8.563 -11.576 -0.016 1.00 0.00 N ATOM 543 CA GLY A 40 8.828 -10.206 0.389 1.00 0.00 C ATOM 544 C GLY A 40 8.485 -9.995 1.866 1.00 0.00 C ATOM 545 O GLY A 40 7.808 -10.823 2.474 1.00 0.00 O ATOM 0 H GLY A 40 7.578 -11.793 -0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.878 -9.969 0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.243 -9.522 -0.225 1.00 0.00 H new ATOM 549 N LYS A 41 8.968 -8.883 2.399 1.00 0.00 N ATOM 550 CA LYS A 41 8.722 -8.553 3.793 1.00 0.00 C ATOM 551 C LYS A 41 7.220 -8.631 4.073 1.00 0.00 C ATOM 552 O LYS A 41 6.798 -9.248 5.050 1.00 0.00 O ATOM 553 CB LYS A 41 9.343 -7.199 4.141 1.00 0.00 C ATOM 554 CG LYS A 41 10.870 -7.262 4.072 1.00 0.00 C ATOM 555 CD LYS A 41 11.392 -6.556 2.819 1.00 0.00 C ATOM 556 CE LYS A 41 12.239 -7.504 1.968 1.00 0.00 C ATOM 557 NZ LYS A 41 12.125 -7.155 0.535 1.00 0.00 N ATOM 0 H LYS A 41 9.529 -8.199 1.891 1.00 0.00 H new ATOM 0 HA LYS A 41 9.207 -9.277 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.975 -6.439 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.033 -6.899 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.297 -6.797 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.195 -8.302 4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.553 -6.185 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.988 -5.690 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.282 -7.449 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.913 -8.532 2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.706 -7.808 -0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.131 -7.231 0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.457 -6.181 0.387 1.00 0.00 H new ATOM 571 N ALA A 42 6.453 -7.997 3.197 1.00 0.00 N ATOM 572 CA ALA A 42 5.007 -7.987 3.338 1.00 0.00 C ATOM 573 C ALA A 42 4.512 -9.416 3.573 1.00 0.00 C ATOM 574 O ALA A 42 3.964 -9.720 4.631 1.00 0.00 O ATOM 575 CB ALA A 42 4.378 -7.349 2.098 1.00 0.00 C ATOM 0 H ALA A 42 6.806 -7.487 2.387 1.00 0.00 H new ATOM 0 HA ALA A 42 4.709 -7.389 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.293 -7.341 2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.740 -6.326 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.653 -7.924 1.214 1.00 0.00 H new ATOM 581 N SER A 43 4.723 -10.254 2.569 1.00 0.00 N ATOM 582 CA SER A 43 4.305 -11.643 2.653 1.00 0.00 C ATOM 583 C SER A 43 4.742 -12.241 3.992 1.00 0.00 C ATOM 584 O SER A 43 3.946 -12.876 4.681 1.00 0.00 O ATOM 585 CB SER A 43 4.878 -12.462 1.494 1.00 0.00 C ATOM 586 OG SER A 43 6.291 -12.614 1.596 1.00 0.00 O ATOM 0 H SER A 43 5.178 -9.998 1.693 1.00 0.00 H new ATOM 0 HA SER A 43 3.218 -11.677 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.408 -13.445 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.633 -11.975 0.550 1.00 0.00 H new ATOM 0 HG SER A 43 6.702 -11.743 1.777 1.00 0.00 H new ATOM 592 N GLN A 44 6.006 -12.016 4.320 1.00 0.00 N ATOM 593 CA GLN A 44 6.558 -12.524 5.564 1.00 0.00 C ATOM 594 C GLN A 44 5.712 -12.056 6.751 1.00 0.00 C ATOM 595 O GLN A 44 5.682 -12.710 7.792 1.00 0.00 O ATOM 596 CB GLN A 44 8.018 -12.100 5.730 1.00 0.00 C ATOM 597 CG GLN A 44 8.949 -13.010 4.926 1.00 0.00 C ATOM 598 CD GLN A 44 10.390 -12.500 4.974 1.00 0.00 C ATOM 599 OE1 GLN A 44 10.747 -11.508 4.360 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.197 -13.232 5.738 1.00 0.00 N ATOM 0 H GLN A 44 6.663 -11.489 3.746 1.00 0.00 H new ATOM 0 HA GLN A 44 6.532 -13.613 5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.140 -11.068 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.292 -12.134 6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.905 -14.024 5.324 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.611 -13.059 3.891 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.834 -14.051 6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.179 -12.974 5.836 1.00 0.00 H new ATOM 609 N ALA A 45 5.047 -10.927 6.554 1.00 0.00 N ATOM 610 CA ALA A 45 4.204 -10.364 7.594 1.00 0.00 C ATOM 611 C ALA A 45 2.795 -10.950 7.476 1.00 0.00 C ATOM 612 O ALA A 45 1.858 -10.453 8.099 1.00 0.00 O ATOM 613 CB ALA A 45 4.211 -8.838 7.487 1.00 0.00 C ATOM 0 H ALA A 45 5.075 -10.387 5.689 1.00 0.00 H new ATOM 0 HA ALA A 45 4.588 -10.624 8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.578 -8.416 8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.230 -8.470 7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.830 -8.540 6.510 1.00 0.00 H new ATOM 619 N HIS A 46 2.690 -11.998 6.672 1.00 0.00 N ATOM 620 CA HIS A 46 1.412 -12.656 6.464 1.00 0.00 C ATOM 621 C HIS A 46 0.410 -11.659 5.881 1.00 0.00 C ATOM 622 O HIS A 46 -0.747 -11.619 6.298 1.00 0.00 O ATOM 623 CB HIS A 46 0.918 -13.305 7.758 1.00 0.00 C ATOM 624 CG HIS A 46 1.603 -14.609 8.092 1.00 0.00 C ATOM 625 ND1 HIS A 46 0.937 -15.682 8.659 1.00 0.00 N ATOM 626 CD2 HIS A 46 2.899 -15.002 7.931 1.00 0.00 C ATOM 627 CE1 HIS A 46 1.803 -16.670 8.828 1.00 0.00 C ATOM 628 NE2 HIS A 46 3.019 -16.247 8.377 1.00 0.00 N ATOM 0 H HIS A 46 3.469 -12.407 6.157 1.00 0.00 H new ATOM 0 HA HIS A 46 1.529 -13.464 5.742 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.066 -12.607 8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.155 -13.480 7.678 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -0.053 -15.707 8.905 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.693 -14.402 7.512 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.585 -17.640 9.249 1.00 0.00 H new ATOM 636 N VAL A 47 0.889 -10.876 4.925 1.00 0.00 N ATOM 637 CA VAL A 47 0.050 -9.881 4.280 1.00 0.00 C ATOM 638 C VAL A 47 -0.464 -10.438 2.951 1.00 0.00 C ATOM 639 O VAL A 47 0.311 -10.642 2.018 1.00 0.00 O ATOM 640 CB VAL A 47 0.821 -8.569 4.121 1.00 0.00 C ATOM 641 CG1 VAL A 47 -0.010 -7.533 3.362 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.266 -8.027 5.481 1.00 0.00 C ATOM 0 H VAL A 47 1.849 -10.911 4.582 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.820 -9.657 4.897 1.00 0.00 H new ATOM 0 HB VAL A 47 1.716 -8.775 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.561 -6.610 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.254 -7.917 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.931 -7.333 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.812 -7.094 5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.390 -7.845 6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.913 -8.756 5.969 1.00 0.00 H new ATOM 652 N ARG A 48 -1.769 -10.667 2.907 1.00 0.00 N ATOM 653 CA ARG A 48 -2.395 -11.196 1.708 1.00 0.00 C ATOM 654 C ARG A 48 -3.092 -10.074 0.934 1.00 0.00 C ATOM 655 O ARG A 48 -3.365 -9.010 1.488 1.00 0.00 O ATOM 656 CB ARG A 48 -3.419 -12.279 2.053 1.00 0.00 C ATOM 657 CG ARG A 48 -2.762 -13.661 2.092 1.00 0.00 C ATOM 658 CD ARG A 48 -3.137 -14.410 3.372 1.00 0.00 C ATOM 659 NE ARG A 48 -2.755 -13.611 4.557 1.00 0.00 N ATOM 660 CZ ARG A 48 -3.192 -13.854 5.800 1.00 0.00 C ATOM 661 NH1 ARG A 48 -4.029 -14.875 6.028 1.00 0.00 N ATOM 662 NH2 ARG A 48 -2.791 -13.076 6.815 1.00 0.00 N ATOM 0 H ARG A 48 -2.409 -10.496 3.682 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.611 -11.636 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.873 -12.061 3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.221 -12.274 1.315 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.073 -14.240 1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.679 -13.555 2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.209 -14.608 3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.634 -15.377 3.398 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.119 -12.826 4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.333 -15.467 5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.362 -15.060 6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.153 -12.299 6.641 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.124 -13.261 7.761 1.00 0.00 H new ATOM 676 N ILE A 49 -3.358 -10.350 -0.334 1.00 0.00 N ATOM 677 CA ILE A 49 -4.017 -9.378 -1.189 1.00 0.00 C ATOM 678 C ILE A 49 -5.435 -9.127 -0.670 1.00 0.00 C ATOM 679 O ILE A 49 -6.161 -10.069 -0.358 1.00 0.00 O ATOM 680 CB ILE A 49 -3.969 -9.829 -2.650 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.549 -9.722 -3.210 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.979 -9.054 -3.498 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.568 -9.602 -4.735 1.00 0.00 C ATOM 0 H ILE A 49 -3.129 -11.233 -0.790 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.491 -8.424 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.254 -10.880 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.049 -8.854 -2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.972 -10.600 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.923 -9.395 -4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.984 -9.225 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.750 -7.989 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.546 -9.527 -5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.047 -10.483 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.125 -8.710 -5.023 1.00 0.00 H new ATOM 695 N GLY A 50 -5.785 -7.851 -0.595 1.00 0.00 N ATOM 696 CA GLY A 50 -7.102 -7.464 -0.119 1.00 0.00 C ATOM 697 C GLY A 50 -7.008 -6.730 1.220 1.00 0.00 C ATOM 698 O GLY A 50 -7.942 -6.037 1.619 1.00 0.00 O ATOM 0 H GLY A 50 -5.180 -7.073 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.585 -6.822 -0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.727 -8.350 -0.009 1.00 0.00 H new ATOM 702 N ASP A 51 -5.871 -6.907 1.877 1.00 0.00 N ATOM 703 CA ASP A 51 -5.642 -6.271 3.163 1.00 0.00 C ATOM 704 C ASP A 51 -5.879 -4.765 3.030 1.00 0.00 C ATOM 705 O ASP A 51 -5.289 -4.113 2.170 1.00 0.00 O ATOM 706 CB ASP A 51 -4.203 -6.483 3.634 1.00 0.00 C ATOM 707 CG ASP A 51 -3.828 -7.936 3.932 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.614 -8.819 3.529 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.763 -8.131 4.557 1.00 0.00 O ATOM 0 H ASP A 51 -5.098 -7.482 1.542 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.326 -6.715 3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.526 -6.098 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.040 -5.890 4.534 1.00 0.00 H new ATOM 714 N VAL A 52 -6.745 -4.256 3.895 1.00 0.00 N ATOM 715 CA VAL A 52 -7.067 -2.839 3.886 1.00 0.00 C ATOM 716 C VAL A 52 -6.181 -2.112 4.899 1.00 0.00 C ATOM 717 O VAL A 52 -6.041 -2.556 6.038 1.00 0.00 O ATOM 718 CB VAL A 52 -8.561 -2.640 4.147 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.903 -1.154 4.272 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.402 -3.306 3.056 1.00 0.00 C ATOM 0 H VAL A 52 -7.233 -4.800 4.606 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.862 -2.407 2.906 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.802 -3.120 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.971 -1.041 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.343 -0.720 5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.639 -0.641 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.460 -3.149 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.155 -2.869 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.191 -4.375 3.035 1.00 0.00 H new ATOM 730 N VAL A 53 -5.605 -1.007 4.448 1.00 0.00 N ATOM 731 CA VAL A 53 -4.736 -0.215 5.302 1.00 0.00 C ATOM 732 C VAL A 53 -5.574 0.819 6.057 1.00 0.00 C ATOM 733 O VAL A 53 -6.002 1.817 5.480 1.00 0.00 O ATOM 734 CB VAL A 53 -3.618 0.416 4.469 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.631 1.173 5.360 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.898 -0.640 3.628 1.00 0.00 C ATOM 0 H VAL A 53 -5.723 -0.642 3.503 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.252 -0.848 6.046 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.073 1.134 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.847 1.612 4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.157 1.964 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.186 0.484 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.108 -0.165 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.462 -1.393 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.610 -1.116 2.954 1.00 0.00 H new ATOM 746 N LEU A 54 -5.784 0.543 7.336 1.00 0.00 N ATOM 747 CA LEU A 54 -6.564 1.436 8.176 1.00 0.00 C ATOM 748 C LEU A 54 -5.741 2.689 8.482 1.00 0.00 C ATOM 749 O LEU A 54 -6.261 3.803 8.446 1.00 0.00 O ATOM 750 CB LEU A 54 -7.057 0.703 9.425 1.00 0.00 C ATOM 751 CG LEU A 54 -7.909 -0.543 9.178 1.00 0.00 C ATOM 752 CD1 LEU A 54 -8.075 -1.357 10.463 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.258 -0.171 8.558 1.00 0.00 C ATOM 0 H LEU A 54 -5.428 -0.286 7.811 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.462 1.764 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.190 0.414 10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.637 1.402 10.027 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.388 -1.176 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.685 -2.237 10.260 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.095 -1.670 10.825 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.563 -0.745 11.221 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.844 -1.075 8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.798 0.493 9.233 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.094 0.334 7.606 1.00 0.00 H new ATOM 765 N SER A 55 -4.469 2.465 8.778 1.00 0.00 N ATOM 766 CA SER A 55 -3.568 3.562 9.091 1.00 0.00 C ATOM 767 C SER A 55 -2.270 3.417 8.294 1.00 0.00 C ATOM 768 O SER A 55 -1.987 2.350 7.751 1.00 0.00 O ATOM 769 CB SER A 55 -3.267 3.617 10.590 1.00 0.00 C ATOM 770 OG SER A 55 -2.922 2.337 11.112 1.00 0.00 O ATOM 0 H SER A 55 -4.041 1.540 8.808 1.00 0.00 H new ATOM 0 HA SER A 55 -4.056 4.496 8.811 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.449 4.315 10.770 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.138 4.002 11.121 1.00 0.00 H new ATOM 0 HG SER A 55 -3.517 2.117 11.859 1.00 0.00 H new ATOM 776 N ILE A 56 -1.517 4.506 8.248 1.00 0.00 N ATOM 777 CA ILE A 56 -0.256 4.514 7.526 1.00 0.00 C ATOM 778 C ILE A 56 0.765 5.348 8.302 1.00 0.00 C ATOM 779 O ILE A 56 0.773 6.574 8.204 1.00 0.00 O ATOM 780 CB ILE A 56 -0.466 4.982 6.085 1.00 0.00 C ATOM 781 CG1 ILE A 56 -1.142 3.895 5.248 1.00 0.00 C ATOM 782 CG2 ILE A 56 0.851 5.450 5.463 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.513 4.422 3.860 1.00 0.00 C ATOM 0 H ILE A 56 -1.756 5.389 8.699 1.00 0.00 H new ATOM 0 HA ILE A 56 0.147 3.504 7.452 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.138 5.840 6.099 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.474 3.039 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.038 3.543 5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.674 5.777 4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.253 6.279 6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.566 4.627 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.992 3.629 3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.200 5.262 3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.612 4.751 3.343 1.00 0.00 H new ATOM 795 N ASP A 57 1.603 4.650 9.055 1.00 0.00 N ATOM 796 CA ASP A 57 2.626 5.312 9.847 1.00 0.00 C ATOM 797 C ASP A 57 1.965 6.043 11.017 1.00 0.00 C ATOM 798 O ASP A 57 2.223 7.225 11.239 1.00 0.00 O ATOM 799 CB ASP A 57 3.386 6.344 9.012 1.00 0.00 C ATOM 800 CG ASP A 57 4.826 6.603 9.459 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.267 5.897 10.392 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.455 7.501 8.858 1.00 0.00 O ATOM 0 H ASP A 57 1.594 3.633 9.133 1.00 0.00 H new ATOM 0 HA ASP A 57 3.322 4.553 10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.398 6.012 7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.838 7.286 9.039 1.00 0.00 H new ATOM 807 N GLY A 58 1.127 5.310 11.734 1.00 0.00 N ATOM 808 CA GLY A 58 0.428 5.875 12.876 1.00 0.00 C ATOM 809 C GLY A 58 -0.547 6.969 12.436 1.00 0.00 C ATOM 810 O GLY A 58 -1.050 7.727 13.264 1.00 0.00 O ATOM 0 H GLY A 58 0.916 4.330 11.547 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.115 5.088 13.400 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.150 6.288 13.581 1.00 0.00 H new ATOM 814 N ILE A 59 -0.785 7.016 11.134 1.00 0.00 N ATOM 815 CA ILE A 59 -1.691 8.004 10.574 1.00 0.00 C ATOM 816 C ILE A 59 -2.968 7.309 10.100 1.00 0.00 C ATOM 817 O ILE A 59 -2.918 6.190 9.592 1.00 0.00 O ATOM 818 CB ILE A 59 -0.990 8.814 9.481 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.297 9.451 10.010 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.937 9.853 8.876 1.00 0.00 C ATOM 821 CD1 ILE A 59 0.021 10.834 10.603 1.00 0.00 C ATOM 0 H ILE A 59 -0.366 6.386 10.450 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.985 8.726 11.336 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.706 8.132 8.680 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.740 8.807 10.770 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.024 9.536 9.202 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.414 10.415 8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.799 9.349 8.439 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.273 10.536 9.656 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.952 11.264 10.972 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.399 11.482 9.834 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.687 10.742 11.427 1.00 0.00 H new ATOM 833 N SER A 60 -4.083 8.000 10.283 1.00 0.00 N ATOM 834 CA SER A 60 -5.372 7.463 9.881 1.00 0.00 C ATOM 835 C SER A 60 -5.519 7.538 8.360 1.00 0.00 C ATOM 836 O SER A 60 -5.397 8.612 7.773 1.00 0.00 O ATOM 837 CB SER A 60 -6.518 8.213 10.562 1.00 0.00 C ATOM 838 OG SER A 60 -7.746 8.070 9.853 1.00 0.00 O ATOM 0 H SER A 60 -4.121 8.928 10.705 1.00 0.00 H new ATOM 0 HA SER A 60 -5.420 6.420 10.194 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.641 7.841 11.579 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.264 9.270 10.638 1.00 0.00 H new ATOM 0 HG SER A 60 -8.453 8.562 10.321 1.00 0.00 H new ATOM 844 N ALA A 61 -5.777 6.383 7.765 1.00 0.00 N ATOM 845 CA ALA A 61 -5.942 6.304 6.323 1.00 0.00 C ATOM 846 C ALA A 61 -7.433 6.297 5.984 1.00 0.00 C ATOM 847 O ALA A 61 -7.839 5.741 4.964 1.00 0.00 O ATOM 848 CB ALA A 61 -5.218 5.064 5.794 1.00 0.00 C ATOM 0 H ALA A 61 -5.876 5.494 8.255 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.498 7.173 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.341 5.004 4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.157 5.132 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.639 4.172 6.257 1.00 0.00 H new ATOM 854 N GLN A 62 -8.209 6.921 6.858 1.00 0.00 N ATOM 855 CA GLN A 62 -9.647 6.994 6.664 1.00 0.00 C ATOM 856 C GLN A 62 -10.019 8.282 5.926 1.00 0.00 C ATOM 857 O GLN A 62 -10.859 9.049 6.394 1.00 0.00 O ATOM 858 CB GLN A 62 -10.387 6.895 7.999 1.00 0.00 C ATOM 859 CG GLN A 62 -10.392 5.455 8.517 1.00 0.00 C ATOM 860 CD GLN A 62 -11.728 4.770 8.220 1.00 0.00 C ATOM 861 OE1 GLN A 62 -12.279 4.870 7.136 1.00 0.00 O ATOM 862 NE2 GLN A 62 -12.216 4.072 9.242 1.00 0.00 N ATOM 0 H GLN A 62 -7.869 7.381 7.703 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.954 6.146 6.052 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.912 7.547 8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.412 7.245 7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.581 4.895 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.208 5.451 9.591 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.703 4.030 10.122 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.103 3.579 9.145 1.00 0.00 H new ATOM 871 N GLY A 63 -9.375 8.480 4.785 1.00 0.00 N ATOM 872 CA GLY A 63 -9.627 9.662 3.978 1.00 0.00 C ATOM 873 C GLY A 63 -8.336 10.174 3.338 1.00 0.00 C ATOM 874 O GLY A 63 -8.065 11.374 3.352 1.00 0.00 O ATOM 0 H GLY A 63 -8.679 7.842 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.354 9.428 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.064 10.444 4.599 1.00 0.00 H new ATOM 878 N MET A 64 -7.573 9.239 2.791 1.00 0.00 N ATOM 879 CA MET A 64 -6.316 9.581 2.146 1.00 0.00 C ATOM 880 C MET A 64 -6.232 8.965 0.748 1.00 0.00 C ATOM 881 O MET A 64 -6.569 7.797 0.558 1.00 0.00 O ATOM 882 CB MET A 64 -5.151 9.074 2.998 1.00 0.00 C ATOM 883 CG MET A 64 -4.955 9.952 4.236 1.00 0.00 C ATOM 884 SD MET A 64 -3.213 10.174 4.557 1.00 0.00 S ATOM 885 CE MET A 64 -2.834 8.601 5.312 1.00 0.00 C ATOM 0 H MET A 64 -7.801 8.245 2.781 1.00 0.00 H new ATOM 0 HA MET A 64 -6.262 10.665 2.049 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.340 8.045 3.304 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.237 9.067 2.404 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.432 10.920 4.084 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.436 9.491 5.099 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.754 8.498 5.415 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.299 8.549 6.297 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.218 7.795 4.686 1.00 0.00 H new ATOM 895 N THR A 65 -5.781 9.779 -0.196 1.00 0.00 N ATOM 896 CA THR A 65 -5.648 9.329 -1.571 1.00 0.00 C ATOM 897 C THR A 65 -4.472 8.360 -1.704 1.00 0.00 C ATOM 898 O THR A 65 -3.600 8.314 -0.838 1.00 0.00 O ATOM 899 CB THR A 65 -5.521 10.565 -2.463 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.726 11.466 -1.697 1.00 0.00 O ATOM 901 CG2 THR A 65 -6.852 11.300 -2.638 1.00 0.00 C ATOM 0 H THR A 65 -5.503 10.747 -0.035 1.00 0.00 H new ATOM 0 HA THR A 65 -6.527 8.769 -1.890 1.00 0.00 H new ATOM 0 HB THR A 65 -5.138 10.270 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.593 12.295 -2.202 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.706 12.169 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.580 10.630 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.219 11.625 -1.664 1.00 0.00 H new ATOM 909 N HIS A 66 -4.484 7.610 -2.797 1.00 0.00 N ATOM 910 CA HIS A 66 -3.429 6.645 -3.054 1.00 0.00 C ATOM 911 C HIS A 66 -2.066 7.331 -2.936 1.00 0.00 C ATOM 912 O HIS A 66 -1.180 6.843 -2.237 1.00 0.00 O ATOM 913 CB HIS A 66 -3.634 5.965 -4.409 1.00 0.00 C ATOM 914 CG HIS A 66 -2.975 4.611 -4.522 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.345 4.178 -5.676 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.853 3.600 -3.615 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.870 2.960 -5.462 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.186 2.603 -4.184 1.00 0.00 N ATOM 0 H HIS A 66 -5.208 7.652 -3.514 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.465 5.853 -2.306 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.703 5.854 -4.590 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.244 6.614 -5.193 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.261 4.707 -6.544 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.234 3.609 -2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.328 2.356 -6.174 1.00 0.00 H new ATOM 926 N LEU A 67 -1.942 8.453 -3.630 1.00 0.00 N ATOM 927 CA LEU A 67 -0.703 9.211 -3.611 1.00 0.00 C ATOM 928 C LEU A 67 -0.316 9.513 -2.162 1.00 0.00 C ATOM 929 O LEU A 67 0.793 9.199 -1.733 1.00 0.00 O ATOM 930 CB LEU A 67 -0.825 10.459 -4.488 1.00 0.00 C ATOM 931 CG LEU A 67 -0.164 11.728 -3.945 1.00 0.00 C ATOM 932 CD1 LEU A 67 -1.046 12.395 -2.887 1.00 0.00 C ATOM 933 CD2 LEU A 67 1.241 11.431 -3.416 1.00 0.00 C ATOM 0 H LEU A 67 -2.679 8.855 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 67 0.109 8.625 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.393 10.237 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.883 10.664 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.055 12.436 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.554 13.294 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.006 12.662 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.208 11.704 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.688 12.349 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.180 10.698 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.857 11.034 -4.223 1.00 0.00 H new ATOM 945 N GLU A 68 -1.253 10.120 -1.447 1.00 0.00 N ATOM 946 CA GLU A 68 -1.025 10.468 -0.055 1.00 0.00 C ATOM 947 C GLU A 68 -0.413 9.282 0.695 1.00 0.00 C ATOM 948 O GLU A 68 0.690 9.384 1.230 1.00 0.00 O ATOM 949 CB GLU A 68 -2.320 10.930 0.614 1.00 0.00 C ATOM 950 CG GLU A 68 -2.680 12.354 0.186 1.00 0.00 C ATOM 951 CD GLU A 68 -1.744 13.375 0.835 1.00 0.00 C ATOM 952 OE1 GLU A 68 -1.645 13.343 2.081 1.00 0.00 O ATOM 953 OE2 GLU A 68 -1.148 14.165 0.071 1.00 0.00 O ATOM 0 H GLU A 68 -2.172 10.379 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.320 11.299 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.131 10.251 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.208 10.889 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.619 12.438 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.711 12.572 0.465 1.00 0.00 H new ATOM 960 N ALA A 69 -1.155 8.185 0.708 1.00 0.00 N ATOM 961 CA ALA A 69 -0.700 6.982 1.384 1.00 0.00 C ATOM 962 C ALA A 69 0.711 6.635 0.902 1.00 0.00 C ATOM 963 O ALA A 69 1.576 6.289 1.704 1.00 0.00 O ATOM 964 CB ALA A 69 -1.696 5.848 1.134 1.00 0.00 C ATOM 0 H ALA A 69 -2.068 8.104 0.261 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.651 7.142 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.355 4.946 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.675 6.132 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.769 5.657 0.063 1.00 0.00 H new ATOM 970 N GLN A 70 0.897 6.740 -0.405 1.00 0.00 N ATOM 971 CA GLN A 70 2.188 6.441 -1.003 1.00 0.00 C ATOM 972 C GLN A 70 3.245 7.428 -0.503 1.00 0.00 C ATOM 973 O GLN A 70 4.395 7.051 -0.283 1.00 0.00 O ATOM 974 CB GLN A 70 2.101 6.458 -2.531 1.00 0.00 C ATOM 975 CG GLN A 70 1.155 5.368 -3.038 1.00 0.00 C ATOM 976 CD GLN A 70 1.935 4.228 -3.697 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.858 3.666 -3.132 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.513 3.921 -4.920 1.00 0.00 N ATOM 0 H GLN A 70 0.176 7.028 -1.067 1.00 0.00 H new ATOM 0 HA GLN A 70 2.484 5.437 -0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.751 7.434 -2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.093 6.310 -2.957 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.566 4.978 -2.208 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.453 5.795 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.734 4.432 -5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.969 3.174 -5.444 1.00 0.00 H new ATOM 987 N ASN A 71 2.818 8.671 -0.338 1.00 0.00 N ATOM 988 CA ASN A 71 3.714 9.714 0.132 1.00 0.00 C ATOM 989 C ASN A 71 4.213 9.358 1.534 1.00 0.00 C ATOM 990 O ASN A 71 5.406 9.454 1.815 1.00 0.00 O ATOM 991 CB ASN A 71 2.995 11.062 0.214 1.00 0.00 C ATOM 992 CG ASN A 71 3.523 12.030 -0.847 1.00 0.00 C ATOM 993 OD1 ASN A 71 2.607 12.874 -1.313 1.00 0.00 O flip ATOM 994 ND2 ASN A 71 4.685 12.012 -1.217 1.00 0.00 N flip ATOM 0 H ASN A 71 1.863 8.980 -0.521 1.00 0.00 H new ATOM 0 HA ASN A 71 4.542 9.790 -0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.924 10.916 0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.134 11.493 1.206 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.337 11.337 -0.817 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.005 12.672 -1.926 1.00 0.00 H new ATOM 1001 N LYS A 72 3.273 8.955 2.377 1.00 0.00 N ATOM 1002 CA LYS A 72 3.602 8.585 3.743 1.00 0.00 C ATOM 1003 C LYS A 72 4.636 7.457 3.726 1.00 0.00 C ATOM 1004 O LYS A 72 5.680 7.557 4.369 1.00 0.00 O ATOM 1005 CB LYS A 72 2.333 8.243 4.526 1.00 0.00 C ATOM 1006 CG LYS A 72 1.683 9.506 5.094 1.00 0.00 C ATOM 1007 CD LYS A 72 2.308 9.889 6.436 1.00 0.00 C ATOM 1008 CE LYS A 72 1.419 10.878 7.193 1.00 0.00 C ATOM 1009 NZ LYS A 72 1.132 12.063 6.355 1.00 0.00 N ATOM 0 H LYS A 72 2.284 8.877 2.140 1.00 0.00 H new ATOM 0 HA LYS A 72 4.055 9.427 4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.627 7.728 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.576 7.558 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.799 10.328 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.613 9.343 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.458 8.994 7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.291 10.331 6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.486 10.392 7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.912 11.188 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.721 12.814 6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.014 12.405 5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.459 11.804 5.606 1.00 0.00 H new ATOM 1023 N ILE A 73 4.310 6.409 2.983 1.00 0.00 N ATOM 1024 CA ILE A 73 5.198 5.264 2.874 1.00 0.00 C ATOM 1025 C ILE A 73 6.628 5.753 2.638 1.00 0.00 C ATOM 1026 O ILE A 73 7.573 5.225 3.222 1.00 0.00 O ATOM 1027 CB ILE A 73 4.694 4.296 1.801 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.451 3.545 2.281 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.805 3.342 1.358 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.423 3.410 1.155 1.00 0.00 C ATOM 0 H ILE A 73 3.443 6.329 2.451 1.00 0.00 H new ATOM 0 HA ILE A 73 5.205 4.697 3.805 1.00 0.00 H new ATOM 0 HB ILE A 73 4.401 4.877 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.735 2.556 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.005 4.073 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.420 2.665 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.636 3.916 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.151 2.764 2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.549 2.872 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.123 4.401 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.864 2.860 0.324 1.00 0.00 H new ATOM 1042 N LYS A 74 6.742 6.757 1.781 1.00 0.00 N ATOM 1043 CA LYS A 74 8.041 7.324 1.461 1.00 0.00 C ATOM 1044 C LYS A 74 8.688 7.861 2.739 1.00 0.00 C ATOM 1045 O LYS A 74 9.890 7.704 2.945 1.00 0.00 O ATOM 1046 CB LYS A 74 7.911 8.369 0.352 1.00 0.00 C ATOM 1047 CG LYS A 74 8.420 7.820 -0.982 1.00 0.00 C ATOM 1048 CD LYS A 74 7.256 7.440 -1.899 1.00 0.00 C ATOM 1049 CE LYS A 74 7.282 5.946 -2.229 1.00 0.00 C ATOM 1050 NZ LYS A 74 5.910 5.443 -2.461 1.00 0.00 N ATOM 0 H LYS A 74 5.956 7.192 1.298 1.00 0.00 H new ATOM 0 HA LYS A 74 8.705 6.555 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.868 8.670 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.476 9.262 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.045 8.567 -1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.047 6.947 -0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.312 7.693 -1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.310 8.020 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.894 5.774 -3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.744 5.395 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.902 4.406 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.267 5.850 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.595 5.719 -3.413 1.00 0.00 H new ATOM 1064 N ALA A 75 7.861 8.484 3.566 1.00 0.00 N ATOM 1065 CA ALA A 75 8.337 9.045 4.819 1.00 0.00 C ATOM 1066 C ALA A 75 9.176 7.999 5.555 1.00 0.00 C ATOM 1067 O ALA A 75 10.046 8.345 6.353 1.00 0.00 O ATOM 1068 CB ALA A 75 7.145 9.525 5.649 1.00 0.00 C ATOM 0 H ALA A 75 6.864 8.613 3.393 1.00 0.00 H new ATOM 0 HA ALA A 75 8.975 9.909 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.502 9.946 6.589 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.599 10.288 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.484 8.684 5.856 1.00 0.00 H new ATOM 1074 N CYS A 76 8.885 6.740 5.262 1.00 0.00 N ATOM 1075 CA CYS A 76 9.602 5.641 5.886 1.00 0.00 C ATOM 1076 C CYS A 76 11.088 6.003 5.935 1.00 0.00 C ATOM 1077 O CYS A 76 11.693 6.296 4.905 1.00 0.00 O ATOM 1078 CB CYS A 76 9.360 4.319 5.154 1.00 0.00 C ATOM 1079 SG CYS A 76 10.225 4.330 3.541 1.00 0.00 S ATOM 0 H CYS A 76 8.162 6.457 4.601 1.00 0.00 H new ATOM 0 HA CYS A 76 9.232 5.491 6.900 1.00 0.00 H new ATOM 0 HB2 CYS A 76 9.716 3.487 5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.291 4.168 5.002 1.00 0.00 H new ATOM 0 HG CYS A 76 11.249 5.129 3.603 1.00 0.00 H new ATOM 1085 N THR A 77 11.633 5.970 7.142 1.00 0.00 N ATOM 1086 CA THR A 77 13.036 6.291 7.338 1.00 0.00 C ATOM 1087 C THR A 77 13.835 5.023 7.646 1.00 0.00 C ATOM 1088 O THR A 77 15.045 5.084 7.859 1.00 0.00 O ATOM 1089 CB THR A 77 13.129 7.350 8.438 1.00 0.00 C ATOM 1090 OG1 THR A 77 14.520 7.652 8.513 1.00 0.00 O ATOM 1091 CG2 THR A 77 12.795 6.789 9.822 1.00 0.00 C ATOM 0 H THR A 77 11.128 5.726 7.994 1.00 0.00 H new ATOM 0 HA THR A 77 13.478 6.704 6.431 1.00 0.00 H new ATOM 0 HB THR A 77 12.452 8.173 8.207 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.040 6.870 8.232 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.876 7.582 10.565 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.778 6.397 9.820 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.492 5.988 10.068 1.00 0.00 H new ATOM 1099 N GLY A 78 13.126 3.904 7.661 1.00 0.00 N ATOM 1100 CA GLY A 78 13.754 2.624 7.939 1.00 0.00 C ATOM 1101 C GLY A 78 12.730 1.488 7.884 1.00 0.00 C ATOM 1102 O GLY A 78 12.900 0.530 7.130 1.00 0.00 O ATOM 0 H GLY A 78 12.122 3.857 7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.547 2.439 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.221 2.650 8.923 1.00 0.00 H new ATOM 1106 N SER A 79 11.690 1.631 8.692 1.00 0.00 N ATOM 1107 CA SER A 79 10.639 0.629 8.744 1.00 0.00 C ATOM 1108 C SER A 79 9.276 1.288 8.526 1.00 0.00 C ATOM 1109 O SER A 79 9.135 2.500 8.687 1.00 0.00 O ATOM 1110 CB SER A 79 10.659 -0.120 10.078 1.00 0.00 C ATOM 1111 OG SER A 79 10.992 0.736 11.167 1.00 0.00 O ATOM 0 H SER A 79 11.553 2.426 9.316 1.00 0.00 H new ATOM 0 HA SER A 79 10.816 -0.095 7.948 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.682 -0.569 10.256 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.380 -0.936 10.025 1.00 0.00 H new ATOM 0 HG SER A 79 10.992 0.220 12.000 1.00 0.00 H new ATOM 1117 N LEU A 80 8.306 0.462 8.162 1.00 0.00 N ATOM 1118 CA LEU A 80 6.959 0.950 7.920 1.00 0.00 C ATOM 1119 C LEU A 80 6.028 0.430 9.018 1.00 0.00 C ATOM 1120 O LEU A 80 6.169 -0.705 9.470 1.00 0.00 O ATOM 1121 CB LEU A 80 6.504 0.586 6.505 1.00 0.00 C ATOM 1122 CG LEU A 80 5.440 1.497 5.889 1.00 0.00 C ATOM 1123 CD1 LEU A 80 6.004 2.892 5.613 1.00 0.00 C ATOM 1124 CD2 LEU A 80 4.837 0.863 4.633 1.00 0.00 C ATOM 0 H LEU A 80 8.426 -0.542 8.029 1.00 0.00 H new ATOM 0 HA LEU A 80 6.933 2.039 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.377 0.587 5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.118 -0.433 6.520 1.00 0.00 H new ATOM 0 HG LEU A 80 4.632 1.615 6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.227 3.519 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.346 3.337 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.841 2.815 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.084 1.530 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.623 0.696 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.374 -0.089 4.892 1.00 0.00 H new ATOM 1136 N ASN A 81 5.098 1.286 9.415 1.00 0.00 N ATOM 1137 CA ASN A 81 4.145 0.928 10.451 1.00 0.00 C ATOM 1138 C ASN A 81 2.732 1.281 9.982 1.00 0.00 C ATOM 1139 O ASN A 81 2.355 2.452 9.963 1.00 0.00 O ATOM 1140 CB ASN A 81 4.420 1.698 11.744 1.00 0.00 C ATOM 1141 CG ASN A 81 4.970 0.770 12.829 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.357 0.547 13.860 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.157 0.244 12.540 1.00 0.00 N ATOM 0 H ASN A 81 4.984 2.227 9.038 1.00 0.00 H new ATOM 0 HA ASN A 81 4.241 -0.141 10.641 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.133 2.499 11.550 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.501 2.168 12.094 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.609 -0.388 13.200 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.615 0.473 11.658 1.00 0.00 H new ATOM 1150 N MET A 82 1.989 0.247 9.615 1.00 0.00 N ATOM 1151 CA MET A 82 0.626 0.434 9.147 1.00 0.00 C ATOM 1152 C MET A 82 -0.296 -0.659 9.692 1.00 0.00 C ATOM 1153 O MET A 82 0.118 -1.808 9.841 1.00 0.00 O ATOM 1154 CB MET A 82 0.602 0.405 7.617 1.00 0.00 C ATOM 1155 CG MET A 82 1.720 1.274 7.035 1.00 0.00 C ATOM 1156 SD MET A 82 1.539 1.395 5.264 1.00 0.00 S ATOM 1157 CE MET A 82 1.783 -0.314 4.810 1.00 0.00 C ATOM 0 H MET A 82 2.305 -0.723 9.632 1.00 0.00 H new ATOM 0 HA MET A 82 0.268 1.399 9.507 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.715 -0.621 7.267 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.364 0.760 7.258 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.689 2.268 7.481 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.691 0.845 7.281 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.367 -0.367 3.891 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.316 -0.830 5.608 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.815 -0.791 4.653 1.00 0.00 H new ATOM 1167 N THR A 83 -1.528 -0.263 9.976 1.00 0.00 N ATOM 1168 CA THR A 83 -2.511 -1.194 10.502 1.00 0.00 C ATOM 1169 C THR A 83 -3.304 -1.834 9.360 1.00 0.00 C ATOM 1170 O THR A 83 -3.522 -1.207 8.324 1.00 0.00 O ATOM 1171 CB THR A 83 -3.388 -0.440 11.503 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.460 0.301 12.289 1.00 0.00 O ATOM 1173 CG2 THR A 83 -4.065 -1.375 12.508 1.00 0.00 C ATOM 0 H THR A 83 -1.868 0.691 9.852 1.00 0.00 H new ATOM 0 HA THR A 83 -2.032 -2.021 11.026 1.00 0.00 H new ATOM 0 HB THR A 83 -4.148 0.127 10.965 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.185 1.104 11.800 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.675 -0.790 13.196 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.698 -2.085 11.975 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.305 -1.917 13.070 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.712 -3.073 9.588 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.476 -3.805 8.591 1.00 0.00 C ATOM 1183 C LEU A 84 -5.864 -4.124 9.151 1.00 0.00 C ATOM 1184 O LEU A 84 -6.097 -3.994 10.352 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.703 -5.039 8.123 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.315 -4.778 7.534 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.714 -6.061 6.957 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.362 -3.652 6.499 1.00 0.00 C ATOM 0 H LEU A 84 -3.528 -3.589 10.448 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.624 -3.194 7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.595 -5.718 8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.302 -5.556 7.374 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.659 -4.449 8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.728 -5.848 6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.624 -6.807 7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.362 -6.443 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.363 -3.486 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.038 -3.929 5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.718 -2.737 6.973 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.748 -4.535 8.255 1.00 0.00 N ATOM 1201 CA GLN A 85 -8.107 -4.874 8.644 1.00 0.00 C ATOM 1202 C GLN A 85 -8.423 -6.321 8.264 1.00 0.00 C ATOM 1203 O GLN A 85 -8.274 -6.709 7.106 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.114 -3.909 8.016 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.548 -4.401 8.224 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.560 -3.320 7.839 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -12.288 -2.793 8.664 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -11.564 -3.020 6.543 1.00 0.00 N ATOM 0 H GLN A 85 -6.550 -4.641 7.260 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.189 -4.778 9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.998 -2.919 8.457 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.911 -3.809 6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.720 -5.295 7.625 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.692 -4.684 9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.928 -3.500 5.906 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.203 -2.310 6.186 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.853 -7.081 9.260 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.191 -8.478 9.045 1.00 0.00 C ATOM 1219 C ARG A 86 -10.578 -8.596 8.408 1.00 0.00 C ATOM 1220 O ARG A 86 -11.442 -7.750 8.633 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.174 -9.258 10.360 1.00 0.00 C ATOM 1222 CG ARG A 86 -10.485 -9.073 11.126 1.00 0.00 C ATOM 1223 CD ARG A 86 -10.688 -7.608 11.519 1.00 0.00 C ATOM 1224 NE ARG A 86 -11.782 -7.497 12.510 1.00 0.00 N ATOM 1225 CZ ARG A 86 -13.085 -7.551 12.200 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -13.464 -7.715 10.925 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -14.008 -7.441 13.164 1.00 0.00 N ATOM 0 H ARG A 86 -8.975 -6.756 10.219 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.442 -8.901 8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.014 -10.317 10.156 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.339 -8.922 10.975 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.320 -9.407 10.511 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.479 -9.696 12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.766 -7.204 11.936 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.925 -7.015 10.635 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.528 -7.372 13.490 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.761 -7.799 10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.455 -7.756 10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.720 -7.316 14.134 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.999 -7.482 12.928 1.00 0.00 H new ATOM 1241 N ALA A 87 -10.747 -9.652 7.626 1.00 0.00 N ATOM 1242 CA ALA A 87 -12.013 -9.892 6.956 1.00 0.00 C ATOM 1243 C ALA A 87 -12.610 -11.208 7.458 1.00 0.00 C ATOM 1244 O ALA A 87 -12.244 -12.281 6.981 1.00 0.00 O ATOM 1245 CB ALA A 87 -11.797 -9.890 5.441 1.00 0.00 C ATOM 0 H ALA A 87 -10.028 -10.351 7.442 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.725 -9.099 7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.747 -10.070 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.400 -8.923 5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.090 -10.675 5.173 1.00 0.00 H new ATOM 1251 N SER A 88 -13.519 -11.082 8.414 1.00 0.00 N ATOM 1252 CA SER A 88 -14.170 -12.248 8.986 1.00 0.00 C ATOM 1253 C SER A 88 -14.863 -13.053 7.885 1.00 0.00 C ATOM 1254 O SER A 88 -15.337 -12.486 6.901 1.00 0.00 O ATOM 1255 CB SER A 88 -15.178 -11.844 10.063 1.00 0.00 C ATOM 1256 OG SER A 88 -14.560 -11.671 11.335 1.00 0.00 O ATOM 0 H SER A 88 -13.820 -10.190 8.807 1.00 0.00 H new ATOM 0 HA SER A 88 -13.407 -12.869 9.456 1.00 0.00 H new ATOM 0 HB2 SER A 88 -15.670 -10.916 9.770 1.00 0.00 H new ATOM 0 HB3 SER A 88 -15.954 -12.606 10.138 1.00 0.00 H new ATOM 0 HG SER A 88 -15.237 -11.412 11.995 1.00 0.00 H new ATOM 1262 N ALA A 89 -14.901 -14.362 8.087 1.00 0.00 N ATOM 1263 CA ALA A 89 -15.528 -15.250 7.123 1.00 0.00 C ATOM 1264 C ALA A 89 -14.902 -15.025 5.746 1.00 0.00 C ATOM 1265 O ALA A 89 -15.394 -14.216 4.961 1.00 0.00 O ATOM 1266 CB ALA A 89 -17.040 -15.016 7.122 1.00 0.00 C ATOM 0 H ALA A 89 -14.508 -14.829 8.904 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.360 -16.292 7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.511 -15.682 6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -17.440 -15.218 8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -17.248 -13.981 6.851 1.00 0.00 H new ATOM 1272 N ALA A 90 -13.827 -15.757 5.493 1.00 0.00 N ATOM 1273 CA ALA A 90 -13.129 -15.647 4.224 1.00 0.00 C ATOM 1274 C ALA A 90 -12.630 -17.030 3.799 1.00 0.00 C ATOM 1275 O ALA A 90 -11.525 -17.433 4.159 1.00 0.00 O ATOM 1276 CB ALA A 90 -11.991 -14.632 4.352 1.00 0.00 C ATOM 0 H ALA A 90 -13.423 -16.429 6.146 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.803 -15.286 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.468 -14.550 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.400 -13.660 4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.294 -14.962 5.122 1.00 0.00 H new ATOM 1282 N ALA A 91 -13.470 -17.720 3.041 1.00 0.00 N ATOM 1283 CA ALA A 91 -13.129 -19.049 2.564 1.00 0.00 C ATOM 1284 C ALA A 91 -12.221 -18.929 1.339 1.00 0.00 C ATOM 1285 O ALA A 91 -12.646 -18.440 0.293 1.00 0.00 O ATOM 1286 CB ALA A 91 -14.411 -19.829 2.266 1.00 0.00 C ATOM 0 H ALA A 91 -14.386 -17.383 2.746 1.00 0.00 H new ATOM 0 HA ALA A 91 -12.581 -19.602 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.155 -20.826 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.006 -19.911 3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.986 -19.306 1.502 1.00 0.00 H new ATOM 1292 N LYS A 92 -10.988 -19.384 1.508 1.00 0.00 N ATOM 1293 CA LYS A 92 -10.017 -19.333 0.429 1.00 0.00 C ATOM 1294 C LYS A 92 -9.723 -20.755 -0.054 1.00 0.00 C ATOM 1295 O LYS A 92 -9.635 -21.682 0.750 1.00 0.00 O ATOM 1296 CB LYS A 92 -8.770 -18.563 0.866 1.00 0.00 C ATOM 1297 CG LYS A 92 -8.019 -19.313 1.968 1.00 0.00 C ATOM 1298 CD LYS A 92 -8.263 -18.669 3.334 1.00 0.00 C ATOM 1299 CE LYS A 92 -7.151 -17.676 3.678 1.00 0.00 C ATOM 1300 NZ LYS A 92 -7.335 -17.146 5.048 1.00 0.00 N ATOM 0 H LYS A 92 -10.639 -19.790 2.376 1.00 0.00 H new ATOM 0 HA LYS A 92 -10.421 -18.783 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -8.112 -18.414 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.056 -17.574 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.342 -20.354 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.951 -19.315 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.225 -18.157 3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.315 -19.442 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.181 -18.166 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.154 -16.855 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.572 -16.474 5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.253 -16.661 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.310 -17.931 5.730 1.00 0.00 H new ATOM 1314 N SER A 93 -9.580 -20.883 -1.365 1.00 0.00 N ATOM 1315 CA SER A 93 -9.299 -22.177 -1.964 1.00 0.00 C ATOM 1316 C SER A 93 -7.817 -22.519 -1.798 1.00 0.00 C ATOM 1317 O SER A 93 -6.949 -21.757 -2.222 1.00 0.00 O ATOM 1318 CB SER A 93 -9.684 -22.193 -3.445 1.00 0.00 C ATOM 1319 OG SER A 93 -10.632 -23.217 -3.738 1.00 0.00 O ATOM 0 H SER A 93 -9.653 -20.112 -2.029 1.00 0.00 H new ATOM 0 HA SER A 93 -9.899 -22.929 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.099 -21.224 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.790 -22.342 -4.051 1.00 0.00 H new ATOM 0 HG SER A 93 -10.854 -23.194 -4.692 1.00 0.00 H new ATOM 1325 N GLU A 94 -7.572 -23.665 -1.180 1.00 0.00 N ATOM 1326 CA GLU A 94 -6.210 -24.117 -0.952 1.00 0.00 C ATOM 1327 C GLU A 94 -5.877 -25.285 -1.882 1.00 0.00 C ATOM 1328 O GLU A 94 -6.668 -26.217 -2.023 1.00 0.00 O ATOM 1329 CB GLU A 94 -5.998 -24.504 0.513 1.00 0.00 C ATOM 1330 CG GLU A 94 -6.832 -25.733 0.881 1.00 0.00 C ATOM 1331 CD GLU A 94 -7.350 -25.634 2.317 1.00 0.00 C ATOM 1332 OE1 GLU A 94 -8.129 -24.692 2.575 1.00 0.00 O ATOM 1333 OE2 GLU A 94 -6.956 -26.503 3.124 1.00 0.00 O ATOM 0 H GLU A 94 -8.294 -24.294 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.532 -23.294 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.942 -24.710 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.271 -23.668 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.672 -25.826 0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.228 -26.633 0.770 1.00 0.00 H new ATOM 1340 N PRO A 95 -4.673 -25.195 -2.509 1.00 0.00 N ATOM 1341 CA PRO A 95 -4.225 -26.234 -3.421 1.00 0.00 C ATOM 1342 C PRO A 95 -3.772 -27.479 -2.655 1.00 0.00 C ATOM 1343 O PRO A 95 -3.574 -27.428 -1.442 1.00 0.00 O ATOM 1344 CB PRO A 95 -3.107 -25.593 -4.228 1.00 0.00 C ATOM 1345 CG PRO A 95 -2.658 -24.381 -3.428 1.00 0.00 C ATOM 1346 CD PRO A 95 -3.710 -24.107 -2.366 1.00 0.00 C ATOM 0 HA PRO A 95 -5.020 -26.589 -4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.283 -26.291 -4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.458 -25.300 -5.217 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.688 -24.567 -2.966 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.540 -23.516 -4.080 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.272 -24.095 -1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.183 -23.137 -2.518 1.00 0.00 H new ATOM 1354 N VAL A 96 -3.621 -28.567 -3.395 1.00 0.00 N ATOM 1355 CA VAL A 96 -3.196 -29.823 -2.801 1.00 0.00 C ATOM 1356 C VAL A 96 -1.673 -29.822 -2.654 1.00 0.00 C ATOM 1357 O VAL A 96 -0.949 -29.856 -3.648 1.00 0.00 O ATOM 1358 CB VAL A 96 -3.715 -30.998 -3.632 1.00 0.00 C ATOM 1359 CG1 VAL A 96 -3.095 -32.316 -3.165 1.00 0.00 C ATOM 1360 CG2 VAL A 96 -5.243 -31.065 -3.590 1.00 0.00 C ATOM 0 H VAL A 96 -3.785 -28.605 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.620 -29.936 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.415 -30.836 -4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.481 -33.135 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.011 -32.266 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.351 -32.488 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.587 -31.909 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.573 -31.193 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.659 -30.141 -3.992 1.00 0.00 H new ATOM 1370 N SER A 97 -1.231 -29.784 -1.406 1.00 0.00 N ATOM 1371 CA SER A 97 0.193 -29.778 -1.116 1.00 0.00 C ATOM 1372 C SER A 97 0.749 -31.201 -1.197 1.00 0.00 C ATOM 1373 O SER A 97 0.006 -32.171 -1.052 1.00 0.00 O ATOM 1374 CB SER A 97 0.472 -29.177 0.263 1.00 0.00 C ATOM 1375 OG SER A 97 1.490 -28.181 0.216 1.00 0.00 O ATOM 0 H SER A 97 -1.834 -29.757 -0.584 1.00 0.00 H new ATOM 0 HA SER A 97 0.691 -29.157 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.444 -28.740 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.771 -29.969 0.950 1.00 0.00 H new ATOM 0 HG SER A 97 1.637 -27.821 1.116 1.00 0.00 H new ATOM 1381 N SER A 98 2.051 -31.281 -1.427 1.00 0.00 N ATOM 1382 CA SER A 98 2.715 -32.570 -1.529 1.00 0.00 C ATOM 1383 C SER A 98 4.196 -32.425 -1.171 1.00 0.00 C ATOM 1384 O SER A 98 4.959 -31.803 -1.909 1.00 0.00 O ATOM 1385 CB SER A 98 2.564 -33.158 -2.933 1.00 0.00 C ATOM 1386 OG SER A 98 3.500 -34.204 -3.178 1.00 0.00 O ATOM 0 H SER A 98 2.664 -30.475 -1.546 1.00 0.00 H new ATOM 0 HA SER A 98 2.242 -33.255 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.551 -33.541 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.700 -32.369 -3.673 1.00 0.00 H new ATOM 0 HG SER A 98 3.370 -34.554 -4.084 1.00 0.00 H new ATOM 1392 N GLY A 99 4.558 -33.009 -0.038 1.00 0.00 N ATOM 1393 CA GLY A 99 5.933 -32.953 0.426 1.00 0.00 C ATOM 1394 C GLY A 99 6.010 -33.173 1.939 1.00 0.00 C ATOM 1395 O GLY A 99 5.234 -33.946 2.498 1.00 0.00 O ATOM 0 H GLY A 99 3.923 -33.523 0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.525 -33.712 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.367 -31.986 0.173 1.00 0.00 H new ATOM 1399 N PRO A 100 6.980 -32.461 2.574 1.00 0.00 N ATOM 1400 CA PRO A 100 7.168 -32.571 4.011 1.00 0.00 C ATOM 1401 C PRO A 100 6.071 -31.818 4.767 1.00 0.00 C ATOM 1402 O PRO A 100 6.335 -30.790 5.389 1.00 0.00 O ATOM 1403 CB PRO A 100 8.558 -32.012 4.269 1.00 0.00 C ATOM 1404 CG PRO A 100 8.910 -31.187 3.041 1.00 0.00 C ATOM 1405 CD PRO A 100 7.918 -31.537 1.944 1.00 0.00 C ATOM 0 HA PRO A 100 7.093 -33.598 4.368 1.00 0.00 H new ATOM 0 HB2 PRO A 100 8.571 -31.398 5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.280 -32.815 4.420 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.865 -30.122 3.271 1.00 0.00 H new ATOM 0 HG3 PRO A 100 9.929 -31.400 2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.409 -30.648 1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.417 -31.999 1.092 1.00 0.00 H new ATOM 1413 N SER A 101 4.865 -32.359 4.688 1.00 0.00 N ATOM 1414 CA SER A 101 3.727 -31.752 5.357 1.00 0.00 C ATOM 1415 C SER A 101 3.127 -32.734 6.365 1.00 0.00 C ATOM 1416 O SER A 101 2.418 -33.664 5.984 1.00 0.00 O ATOM 1417 CB SER A 101 2.665 -31.312 4.347 1.00 0.00 C ATOM 1418 OG SER A 101 3.183 -30.386 3.397 1.00 0.00 O ATOM 0 H SER A 101 4.651 -33.212 4.171 1.00 0.00 H new ATOM 0 HA SER A 101 4.075 -30.865 5.887 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.276 -32.187 3.826 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.827 -30.858 4.876 1.00 0.00 H new ATOM 0 HG SER A 101 2.475 -30.131 2.769 1.00 0.00 H new ATOM 1424 N SER A 102 3.433 -32.494 7.631 1.00 0.00 N ATOM 1425 CA SER A 102 2.933 -33.346 8.697 1.00 0.00 C ATOM 1426 C SER A 102 2.090 -32.524 9.672 1.00 0.00 C ATOM 1427 O SER A 102 2.542 -31.496 10.175 1.00 0.00 O ATOM 1428 CB SER A 102 4.082 -34.034 9.437 1.00 0.00 C ATOM 1429 OG SER A 102 4.007 -35.453 9.340 1.00 0.00 O ATOM 0 H SER A 102 4.021 -31.721 7.943 1.00 0.00 H new ATOM 0 HA SER A 102 2.309 -34.120 8.251 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.033 -33.693 9.027 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.064 -33.741 10.487 1.00 0.00 H new ATOM 0 HG SER A 102 4.759 -35.854 9.824 1.00 0.00 H new ATOM 1435 N GLY A 103 0.879 -33.006 9.910 1.00 0.00 N ATOM 1436 CA GLY A 103 -0.032 -32.328 10.817 1.00 0.00 C ATOM 1437 C GLY A 103 -0.182 -33.105 12.126 1.00 0.00 C ATOM 1438 O GLY A 103 0.021 -34.317 12.160 1.00 0.00 O ATOM 0 H GLY A 103 0.507 -33.858 9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 103 0.338 -31.324 11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -1.007 -32.216 10.343 1.00 0.00 H new TER 1442 GLY A 103