USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 7 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00265 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.105 (180deg=-0.807) USER MOD Single : A 3 LYS NZ :NH3+ 154:sc= -1.95 (180deg=-3.24!) USER MOD Single : A 4 GLN : amide:sc= -0.0206 X(o=-0.021,f=-0.013) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -0.0427 (180deg=-0.288) USER MOD Single : A 12 GLN : amide:sc= -1.29 K(o=-1.3,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 52:sc= -0.227 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc= -0.851 (180deg=-2.3!) USER MOD Single : A 43 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.041) USER MOD Single : A 44 SER OG : rot -24:sc= -0.335 USER MOD Single : A 46 SER OG : rot 106:sc= -1.24! USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0726 (180deg=-0.858) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.81! C(o=-1.8!,f=-1.8!) USER MOD Single : A 63 GLN : amide:sc= 1.68 K(o=1.7,f=-2.3!) USER MOD Single : A 67 SER OG : rot 88:sc= 1.24 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.718 USER MOD Single : A 76 THR OG1 : rot -53:sc= -0.615 USER MOD Single : A 78 GLN : amide:sc= -3.23! K(o=-3.2!,f=-2.6) USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= 0.00221 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.022) USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= -4.57! (180deg=-5.24!) USER MOD Single : A 90 SER OG : rot 132:sc= 1.23 USER MOD Single : A 93 ASN : amide:sc= -3.03! K(o=-3!,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ -147:sc= -0.138 (180deg=-1.3!) USER MOD Single : A 96 LYS NZ :NH3+ -124:sc= 0 (180deg=-1.48) USER MOD Single : A 100 THR OG1 : rot 80:sc=-0.00573 USER MOD Single : A 102 ASN : amide:sc= -0.881 K(o=-0.88,f=-2.4!) USER MOD Single : B 1 PHE N :NH3+ -174:sc= 0.531! (180deg=0.474) USER MOD Single : B 5 TYR OH : rot 6:sc= -2.64 USER MOD Single : B 11 SER OG : rot -42:sc= 0.076 USER MOD Single : B 12 HIS : no HD1:sc= -2.06! C(o=-2.1!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.519 -2.271 7.409 1.00 0.73 N ATOM 2 CA MET A 1 -6.522 -2.641 8.454 1.00 0.31 C ATOM 3 C MET A 1 -5.108 -2.457 7.896 1.00 0.24 C ATOM 4 O MET A 1 -4.846 -2.727 6.741 1.00 0.21 O ATOM 5 CB MET A 1 -6.728 -4.103 8.857 1.00 0.70 C ATOM 6 CG MET A 1 -8.221 -4.371 9.060 1.00 1.55 C ATOM 7 SD MET A 1 -8.443 -6.015 9.796 1.00 2.25 S ATOM 8 CE MET A 1 -9.078 -5.490 11.409 1.00 2.89 C ATOM 0 H1 MET A 1 -8.425 -2.033 7.862 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.173 -1.449 6.874 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.656 -3.073 6.761 1.00 0.73 H new ATOM 0 HA MET A 1 -6.653 -2.002 9.327 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.331 -4.763 8.086 1.00 0.70 H new ATOM 0 HB3 MET A 1 -6.181 -4.319 9.775 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.654 -3.609 9.708 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.745 -4.314 8.106 1.00 1.55 H new ATOM 0 HE1 MET A 1 -9.281 -6.367 12.023 1.00 2.89 H new ATOM 0 HE2 MET A 1 -8.337 -4.863 11.905 1.00 2.89 H new ATOM 0 HE3 MET A 1 -9.999 -4.923 11.271 1.00 2.89 H new ATOM 20 N VAL A 2 -4.193 -1.993 8.708 1.00 0.24 N ATOM 21 CA VAL A 2 -2.792 -1.785 8.227 1.00 0.19 C ATOM 22 C VAL A 2 -1.943 -3.015 8.561 1.00 0.22 C ATOM 23 O VAL A 2 -2.191 -3.707 9.528 1.00 0.28 O ATOM 24 CB VAL A 2 -2.190 -0.561 8.925 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.737 -0.384 8.480 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.988 0.693 8.555 1.00 0.30 C ATOM 0 H VAL A 2 -4.355 -1.749 9.685 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.804 -1.630 7.148 1.00 0.19 H new ATOM 0 HB VAL A 2 -2.229 -0.709 10.004 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.308 0.487 8.976 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.164 -1.272 8.746 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.702 -0.240 7.400 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.555 1.560 9.054 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.953 0.841 7.476 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -4.024 0.572 8.872 1.00 0.30 H new ATOM 36 N LYS A 3 -0.929 -3.283 7.779 1.00 0.18 N ATOM 37 CA LYS A 3 -0.047 -4.455 8.063 1.00 0.22 C ATOM 38 C LYS A 3 1.343 -4.171 7.486 1.00 0.16 C ATOM 39 O LYS A 3 1.480 -3.680 6.381 1.00 0.13 O ATOM 40 CB LYS A 3 -0.625 -5.740 7.430 1.00 0.26 C ATOM 41 CG LYS A 3 -0.044 -6.971 8.150 1.00 0.34 C ATOM 42 CD LYS A 3 -0.738 -8.261 7.666 1.00 0.81 C ATOM 43 CE LYS A 3 -0.032 -8.809 6.421 1.00 1.37 C ATOM 44 NZ LYS A 3 1.406 -9.051 6.725 1.00 1.97 N ATOM 0 H LYS A 3 -0.673 -2.740 6.954 1.00 0.18 H new ATOM 0 HA LYS A 3 0.016 -4.607 9.140 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.712 -5.739 7.507 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.381 -5.777 6.368 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.028 -7.036 7.963 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.174 -6.864 9.227 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -0.725 -9.009 8.459 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.784 -8.056 7.439 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.507 -9.736 6.100 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.125 -8.102 5.597 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.774 -9.792 6.095 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.944 -8.173 6.579 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 1.505 -9.357 7.714 1.00 1.97 H new ATOM 58 N GLN A 4 2.377 -4.459 8.232 1.00 0.18 N ATOM 59 CA GLN A 4 3.759 -4.188 7.738 1.00 0.15 C ATOM 60 C GLN A 4 4.266 -5.381 6.920 1.00 0.13 C ATOM 61 O GLN A 4 4.088 -6.526 7.286 1.00 0.14 O ATOM 62 CB GLN A 4 4.684 -3.949 8.941 1.00 0.20 C ATOM 63 CG GLN A 4 6.154 -3.992 8.496 1.00 0.21 C ATOM 64 CD GLN A 4 7.035 -3.311 9.547 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.919 -3.586 10.724 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.918 -2.429 9.165 1.00 0.98 N ATOM 0 H GLN A 4 2.324 -4.871 9.164 1.00 0.18 H new ATOM 0 HA GLN A 4 3.751 -3.304 7.100 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.462 -2.983 9.394 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.505 -4.707 9.703 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.471 -5.026 8.357 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.267 -3.492 7.534 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.014 -2.199 8.176 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.512 -1.970 9.856 1.00 0.98 H new ATOM 75 N ILE A 5 4.909 -5.101 5.814 1.00 0.10 N ATOM 76 CA ILE A 5 5.458 -6.183 4.937 1.00 0.10 C ATOM 77 C ILE A 5 6.977 -6.009 4.844 1.00 0.10 C ATOM 78 O ILE A 5 7.483 -5.383 3.933 1.00 0.11 O ATOM 79 CB ILE A 5 4.857 -6.055 3.531 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.325 -5.860 3.605 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.200 -7.294 2.694 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.623 -7.107 4.162 1.00 0.19 C ATOM 0 H ILE A 5 5.080 -4.154 5.476 1.00 0.10 H new ATOM 0 HA ILE A 5 5.210 -7.160 5.352 1.00 0.10 H new ATOM 0 HB ILE A 5 5.288 -5.177 3.050 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.097 -5.001 4.236 1.00 0.12 H new ATOM 0 HG13 ILE A 5 2.938 -5.637 2.611 1.00 0.12 H new ATOM 0 HG21 ILE A 5 4.768 -7.192 1.698 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.283 -7.389 2.612 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.793 -8.183 3.176 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.548 -6.933 4.199 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.830 -7.960 3.516 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.992 -7.314 5.166 1.00 0.19 H new ATOM 94 N GLU A 6 7.709 -6.545 5.783 1.00 0.11 N ATOM 95 CA GLU A 6 9.197 -6.399 5.753 1.00 0.14 C ATOM 96 C GLU A 6 9.820 -7.631 5.097 1.00 0.14 C ATOM 97 O GLU A 6 11.026 -7.748 4.999 1.00 0.17 O ATOM 98 CB GLU A 6 9.718 -6.283 7.188 1.00 0.18 C ATOM 99 CG GLU A 6 9.433 -4.875 7.739 1.00 0.31 C ATOM 100 CD GLU A 6 10.542 -3.910 7.307 1.00 1.20 C ATOM 101 OE1 GLU A 6 11.043 -4.070 6.206 1.00 1.97 O ATOM 102 OE2 GLU A 6 10.870 -3.030 8.085 1.00 1.96 O ATOM 0 H GLU A 6 7.343 -7.079 6.571 1.00 0.11 H new ATOM 0 HA GLU A 6 9.463 -5.508 5.185 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.241 -7.033 7.819 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.789 -6.482 7.212 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.469 -4.521 7.374 1.00 0.31 H new ATOM 0 HG3 GLU A 6 9.370 -4.907 8.827 1.00 0.31 H new ATOM 109 N SER A 7 9.015 -8.556 4.650 1.00 0.13 N ATOM 110 CA SER A 7 9.573 -9.779 4.007 1.00 0.15 C ATOM 111 C SER A 7 8.587 -10.315 2.969 1.00 0.14 C ATOM 112 O SER A 7 7.386 -10.236 3.135 1.00 0.12 O ATOM 113 CB SER A 7 9.816 -10.845 5.073 1.00 0.20 C ATOM 114 OG SER A 7 8.586 -11.484 5.389 1.00 0.23 O ATOM 0 H SER A 7 7.997 -8.518 4.702 1.00 0.13 H new ATOM 0 HA SER A 7 10.513 -9.530 3.515 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.538 -11.578 4.712 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.243 -10.391 5.967 1.00 0.20 H new ATOM 0 HG SER A 7 8.740 -12.170 6.072 1.00 0.23 H new ATOM 120 N LYS A 8 9.091 -10.861 1.898 1.00 0.15 N ATOM 121 CA LYS A 8 8.195 -11.407 0.842 1.00 0.14 C ATOM 122 C LYS A 8 7.176 -12.362 1.475 1.00 0.14 C ATOM 123 O LYS A 8 6.105 -12.584 0.948 1.00 0.13 O ATOM 124 CB LYS A 8 9.043 -12.166 -0.189 1.00 0.17 C ATOM 125 CG LYS A 8 8.265 -12.310 -1.502 1.00 0.21 C ATOM 126 CD LYS A 8 8.899 -13.410 -2.359 1.00 0.22 C ATOM 127 CE LYS A 8 8.296 -13.373 -3.765 1.00 1.06 C ATOM 128 NZ LYS A 8 8.846 -12.206 -4.510 1.00 1.90 N ATOM 0 H LYS A 8 10.089 -10.953 1.708 1.00 0.15 H new ATOM 0 HA LYS A 8 7.663 -10.592 0.352 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.977 -11.634 -0.367 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.306 -13.151 0.198 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.223 -12.553 -1.294 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.270 -11.365 -2.044 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.979 -13.268 -2.411 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.727 -14.385 -1.904 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.525 -14.297 -4.295 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.210 -13.301 -3.705 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.721 -12.356 -5.531 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 8.343 -11.342 -4.223 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.859 -12.104 -4.297 1.00 1.90 H new ATOM 142 N THR A 9 7.509 -12.937 2.600 1.00 0.16 N ATOM 143 CA THR A 9 6.572 -13.888 3.267 1.00 0.18 C ATOM 144 C THR A 9 5.264 -13.184 3.641 1.00 0.16 C ATOM 145 O THR A 9 4.187 -13.660 3.344 1.00 0.17 O ATOM 146 CB THR A 9 7.227 -14.438 4.528 1.00 0.21 C ATOM 147 OG1 THR A 9 8.555 -14.850 4.234 1.00 0.24 O ATOM 148 CG2 THR A 9 6.422 -15.629 5.050 1.00 0.25 C ATOM 0 H THR A 9 8.393 -12.788 3.087 1.00 0.16 H new ATOM 0 HA THR A 9 6.347 -14.701 2.577 1.00 0.18 H new ATOM 0 HB THR A 9 7.251 -13.659 5.291 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.976 -15.202 5.046 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.893 -16.020 5.952 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.406 -15.308 5.281 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.392 -16.409 4.289 1.00 0.25 H new ATOM 156 N ALA A 10 5.350 -12.065 4.301 1.00 0.16 N ATOM 157 CA ALA A 10 4.113 -11.337 4.711 1.00 0.17 C ATOM 158 C ALA A 10 3.399 -10.774 3.481 1.00 0.15 C ATOM 159 O ALA A 10 2.208 -10.539 3.499 1.00 0.17 O ATOM 160 CB ALA A 10 4.490 -10.189 5.648 1.00 0.20 C ATOM 0 H ALA A 10 6.225 -11.619 4.576 1.00 0.16 H new ATOM 0 HA ALA A 10 3.445 -12.030 5.223 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.589 -9.655 5.950 1.00 0.20 H new ATOM 0 HB2 ALA A 10 4.988 -10.589 6.531 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.162 -9.504 5.132 1.00 0.20 H new ATOM 166 N PHE A 11 4.114 -10.550 2.415 1.00 0.12 N ATOM 167 CA PHE A 11 3.469 -9.993 1.191 1.00 0.11 C ATOM 168 C PHE A 11 2.370 -10.934 0.701 1.00 0.13 C ATOM 169 O PHE A 11 1.206 -10.593 0.709 1.00 0.16 O ATOM 170 CB PHE A 11 4.527 -9.816 0.097 1.00 0.10 C ATOM 171 CG PHE A 11 3.865 -9.363 -1.185 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.332 -8.063 -1.279 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.784 -10.239 -2.287 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.718 -7.638 -2.473 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.170 -9.814 -3.481 1.00 0.18 C ATOM 176 CZ PHE A 11 2.637 -8.513 -3.574 1.00 0.21 C ATOM 0 H PHE A 11 5.115 -10.728 2.337 1.00 0.12 H new ATOM 0 HA PHE A 11 3.023 -9.027 1.428 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.270 -9.084 0.412 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.055 -10.756 -0.067 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.394 -7.392 -0.435 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.193 -11.236 -2.215 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.309 -6.641 -2.545 1.00 0.20 H new ATOM 0 HE2 PHE A 11 3.108 -10.485 -4.325 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.166 -8.187 -4.490 1.00 0.21 H new ATOM 186 N GLN A 12 2.724 -12.109 0.266 1.00 0.15 N ATOM 187 CA GLN A 12 1.687 -13.055 -0.234 1.00 0.19 C ATOM 188 C GLN A 12 0.629 -13.282 0.849 1.00 0.17 C ATOM 189 O GLN A 12 -0.556 -13.273 0.582 1.00 0.16 O ATOM 190 CB GLN A 12 2.347 -14.389 -0.588 1.00 0.24 C ATOM 191 CG GLN A 12 3.505 -14.143 -1.557 1.00 1.21 C ATOM 192 CD GLN A 12 4.192 -15.471 -1.878 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.863 -15.592 -2.885 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.054 -16.479 -1.062 1.00 2.47 N ATOM 0 H GLN A 12 3.683 -12.456 0.234 1.00 0.15 H new ATOM 0 HA GLN A 12 1.211 -12.634 -1.120 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.712 -14.877 0.315 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.616 -15.060 -1.040 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.135 -13.682 -2.473 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.220 -13.448 -1.117 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.491 -16.378 -0.217 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.509 -17.368 -1.269 1.00 2.47 H new ATOM 203 N GLU A 13 1.048 -13.491 2.063 1.00 0.19 N ATOM 204 CA GLU A 13 0.070 -13.726 3.160 1.00 0.20 C ATOM 205 C GLU A 13 -0.878 -12.528 3.288 1.00 0.18 C ATOM 206 O GLU A 13 -2.047 -12.684 3.581 1.00 0.19 O ATOM 207 CB GLU A 13 0.836 -13.926 4.473 1.00 0.25 C ATOM 208 CG GLU A 13 1.390 -15.352 4.539 1.00 0.30 C ATOM 209 CD GLU A 13 0.246 -16.335 4.787 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.354 -16.262 5.848 1.00 2.10 O ATOM 211 OE2 GLU A 13 -0.012 -17.146 3.913 1.00 2.03 O ATOM 0 H GLU A 13 2.028 -13.509 2.345 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.521 -14.614 2.937 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.651 -13.206 4.542 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.176 -13.743 5.321 1.00 0.25 H new ATOM 0 HG2 GLU A 13 1.899 -15.599 3.607 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.129 -15.429 5.337 1.00 0.30 H new ATOM 218 N ALA A 14 -0.392 -11.336 3.076 1.00 0.18 N ATOM 219 CA ALA A 14 -1.279 -10.142 3.195 1.00 0.18 C ATOM 220 C ALA A 14 -2.418 -10.242 2.171 1.00 0.18 C ATOM 221 O ALA A 14 -3.567 -9.996 2.482 1.00 0.19 O ATOM 222 CB ALA A 14 -0.459 -8.881 2.934 1.00 0.20 C ATOM 0 H ALA A 14 0.577 -11.136 2.826 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.704 -10.099 4.198 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -1.102 -8.005 3.020 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.346 -8.813 3.665 1.00 0.20 H new ATOM 0 HB3 ALA A 14 -0.035 -8.924 1.931 1.00 0.20 H new ATOM 228 N LEU A 15 -2.107 -10.600 0.956 1.00 0.17 N ATOM 229 CA LEU A 15 -3.165 -10.719 -0.096 1.00 0.18 C ATOM 230 C LEU A 15 -4.139 -11.840 0.273 1.00 0.18 C ATOM 231 O LEU A 15 -5.341 -11.666 0.239 1.00 0.18 O ATOM 232 CB LEU A 15 -2.510 -11.029 -1.446 1.00 0.19 C ATOM 233 CG LEU A 15 -1.232 -10.200 -1.607 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.669 -10.393 -3.017 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.552 -8.718 -1.388 1.00 0.62 C ATOM 0 H LEU A 15 -1.161 -10.817 0.641 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.712 -9.779 -0.165 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.275 -12.091 -1.511 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.204 -10.806 -2.257 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.496 -10.527 -0.873 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.240 -9.802 -3.130 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.439 -11.447 -3.176 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.406 -10.068 -3.751 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.642 -8.129 -1.503 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.290 -8.393 -2.121 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.952 -8.577 -0.384 1.00 0.62 H new ATOM 247 N ASP A 16 -3.632 -12.990 0.613 1.00 0.19 N ATOM 248 CA ASP A 16 -4.529 -14.123 0.972 1.00 0.21 C ATOM 249 C ASP A 16 -5.337 -13.771 2.225 1.00 0.20 C ATOM 250 O ASP A 16 -6.505 -14.090 2.329 1.00 0.20 O ATOM 251 CB ASP A 16 -3.687 -15.371 1.243 1.00 0.24 C ATOM 252 CG ASP A 16 -4.603 -16.590 1.356 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.075 -16.852 2.450 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.819 -17.240 0.346 1.00 1.07 O ATOM 0 H ASP A 16 -2.634 -13.195 0.658 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.214 -14.314 0.146 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.966 -15.518 0.439 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.117 -15.245 2.163 1.00 0.24 H new ATOM 259 N ALA A 17 -4.726 -13.122 3.178 1.00 0.22 N ATOM 260 CA ALA A 17 -5.462 -12.761 4.423 1.00 0.24 C ATOM 261 C ALA A 17 -6.326 -11.520 4.178 1.00 0.21 C ATOM 262 O ALA A 17 -7.224 -11.220 4.941 1.00 0.22 O ATOM 263 CB ALA A 17 -4.457 -12.469 5.540 1.00 0.30 C ATOM 0 H ALA A 17 -3.750 -12.826 3.149 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.104 -13.592 4.714 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.993 -12.205 6.452 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.847 -13.354 5.721 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.814 -11.640 5.244 1.00 0.30 H new ATOM 269 N ALA A 18 -6.065 -10.795 3.125 1.00 0.21 N ATOM 270 CA ALA A 18 -6.877 -9.576 2.842 1.00 0.22 C ATOM 271 C ALA A 18 -8.301 -9.984 2.464 1.00 0.21 C ATOM 272 O ALA A 18 -9.172 -9.152 2.297 1.00 0.24 O ATOM 273 CB ALA A 18 -6.244 -8.800 1.684 1.00 0.23 C ATOM 0 H ALA A 18 -5.327 -10.993 2.449 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.906 -8.946 3.731 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.836 -7.909 1.476 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.230 -8.506 1.954 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.215 -9.431 0.796 1.00 0.23 H new ATOM 279 N GLY A 19 -8.550 -11.257 2.327 1.00 0.22 N ATOM 280 CA GLY A 19 -9.920 -11.713 1.960 1.00 0.24 C ATOM 281 C GLY A 19 -10.207 -11.344 0.504 1.00 0.20 C ATOM 282 O GLY A 19 -9.626 -11.894 -0.411 1.00 0.28 O ATOM 0 H GLY A 19 -7.864 -12.001 2.453 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.005 -12.791 2.097 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.657 -11.250 2.616 1.00 0.24 H new ATOM 286 N ASP A 20 -11.101 -10.414 0.281 1.00 0.13 N ATOM 287 CA ASP A 20 -11.433 -10.001 -1.118 1.00 0.18 C ATOM 288 C ASP A 20 -11.610 -8.482 -1.176 1.00 0.15 C ATOM 289 O ASP A 20 -11.935 -7.926 -2.206 1.00 0.22 O ATOM 290 CB ASP A 20 -12.734 -10.678 -1.555 1.00 0.26 C ATOM 291 CG ASP A 20 -12.671 -12.168 -1.216 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.767 -12.829 -1.702 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.527 -12.624 -0.476 1.00 2.21 O ATOM 0 H ASP A 20 -11.617 -9.921 1.010 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.623 -10.299 -1.784 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.584 -10.215 -1.053 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.885 -10.544 -2.626 1.00 0.26 H new ATOM 298 N LYS A 21 -11.396 -7.802 -0.080 1.00 0.12 N ATOM 299 CA LYS A 21 -11.551 -6.323 -0.089 1.00 0.19 C ATOM 300 C LYS A 21 -10.428 -5.706 -0.919 1.00 0.15 C ATOM 301 O LYS A 21 -9.490 -6.373 -1.309 1.00 0.15 O ATOM 302 CB LYS A 21 -11.484 -5.795 1.347 1.00 0.27 C ATOM 303 CG LYS A 21 -12.827 -6.034 2.043 1.00 0.29 C ATOM 304 CD LYS A 21 -12.654 -5.880 3.553 1.00 0.30 C ATOM 305 CE LYS A 21 -14.028 -5.758 4.215 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.888 -5.931 5.690 1.00 1.90 N ATOM 0 H LYS A 21 -11.122 -8.207 0.815 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.514 -6.055 -0.525 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.685 -6.297 1.893 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.248 -4.731 1.344 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.569 -5.325 1.677 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.197 -7.032 1.809 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.119 -6.739 3.958 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -12.053 -4.997 3.773 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.465 -4.785 3.992 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.705 -6.511 3.813 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.822 -5.848 6.139 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.488 -6.869 5.893 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.256 -5.196 6.067 1.00 1.90 H new ATOM 320 N LEU A 22 -10.518 -4.437 -1.194 1.00 0.13 N ATOM 321 CA LEU A 22 -9.463 -3.775 -2.000 1.00 0.11 C ATOM 322 C LEU A 22 -8.140 -3.837 -1.215 1.00 0.10 C ATOM 323 O LEU A 22 -8.141 -4.000 -0.011 1.00 0.11 O ATOM 324 CB LEU A 22 -9.889 -2.308 -2.235 1.00 0.12 C ATOM 325 CG LEU A 22 -9.670 -1.860 -3.687 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.947 -0.354 -3.772 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.227 -2.126 -4.136 1.00 0.11 C ATOM 0 H LEU A 22 -11.280 -3.829 -0.893 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.327 -4.269 -2.962 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.942 -2.193 -1.977 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.324 -1.657 -1.568 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.341 -2.422 -4.337 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.797 -0.014 -4.797 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.976 -0.156 -3.471 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.265 0.179 -3.109 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -8.101 -1.799 -5.168 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.539 -1.576 -3.494 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -8.015 -3.193 -4.065 1.00 0.11 H new ATOM 339 N VAL A 23 -7.015 -3.699 -1.874 1.00 0.08 N ATOM 340 CA VAL A 23 -5.707 -3.741 -1.141 1.00 0.09 C ATOM 341 C VAL A 23 -4.726 -2.761 -1.784 1.00 0.08 C ATOM 342 O VAL A 23 -4.222 -2.997 -2.862 1.00 0.09 O ATOM 343 CB VAL A 23 -5.119 -5.153 -1.205 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.970 -5.278 -0.201 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.206 -6.179 -0.869 1.00 0.10 C ATOM 0 H VAL A 23 -6.944 -3.560 -2.882 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.875 -3.464 -0.100 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.743 -5.341 -2.211 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.553 -6.284 -0.248 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.194 -4.552 -0.444 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.344 -5.087 0.805 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.785 -7.183 -0.915 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.586 -5.991 0.135 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -7.021 -6.094 -1.587 1.00 0.10 H new ATOM 355 N VAL A 24 -4.442 -1.663 -1.120 1.00 0.08 N ATOM 356 CA VAL A 24 -3.481 -0.660 -1.678 1.00 0.08 C ATOM 357 C VAL A 24 -2.157 -0.770 -0.920 1.00 0.08 C ATOM 358 O VAL A 24 -2.126 -0.815 0.294 1.00 0.08 O ATOM 359 CB VAL A 24 -4.061 0.748 -1.529 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.281 1.724 -2.414 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.532 0.738 -1.950 1.00 0.09 C ATOM 0 H VAL A 24 -4.837 -1.419 -0.212 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.311 -0.855 -2.737 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.981 1.065 -0.489 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.697 2.726 -2.305 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.234 1.731 -2.112 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.356 1.411 -3.455 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.947 1.740 -1.845 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.611 0.420 -2.990 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.087 0.047 -1.316 1.00 0.09 H new ATOM 371 N VAL A 25 -1.067 -0.838 -1.637 1.00 0.09 N ATOM 372 CA VAL A 25 0.277 -0.973 -0.991 1.00 0.09 C ATOM 373 C VAL A 25 1.057 0.329 -1.138 1.00 0.10 C ATOM 374 O VAL A 25 1.057 0.944 -2.182 1.00 0.17 O ATOM 375 CB VAL A 25 1.052 -2.093 -1.696 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.217 -2.556 -0.819 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.110 -3.266 -1.960 1.00 0.09 C ATOM 0 H VAL A 25 -1.048 -0.806 -2.656 1.00 0.09 H new ATOM 0 HA VAL A 25 0.149 -1.202 0.067 1.00 0.09 H new ATOM 0 HB VAL A 25 1.448 -1.719 -2.640 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.762 -3.351 -1.328 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.888 -1.718 -0.634 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.832 -2.929 0.130 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.656 -4.065 -2.461 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.286 -3.635 -1.014 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.713 -2.936 -2.594 1.00 0.09 H new ATOM 387 N ASP A 26 1.731 0.743 -0.098 1.00 0.08 N ATOM 388 CA ASP A 26 2.535 2.001 -0.158 1.00 0.08 C ATOM 389 C ASP A 26 4.024 1.654 -0.103 1.00 0.08 C ATOM 390 O ASP A 26 4.566 1.376 0.949 1.00 0.09 O ATOM 391 CB ASP A 26 2.174 2.886 1.037 1.00 0.09 C ATOM 392 CG ASP A 26 3.091 4.111 1.065 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.515 4.532 0.002 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.352 4.607 2.148 1.00 0.96 O ATOM 0 H ASP A 26 1.760 0.259 0.800 1.00 0.08 H new ATOM 0 HA ASP A 26 2.319 2.532 -1.085 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.133 3.200 0.968 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.276 2.322 1.964 1.00 0.09 H new ATOM 399 N PHE A 27 4.694 1.674 -1.224 1.00 0.08 N ATOM 400 CA PHE A 27 6.149 1.356 -1.228 1.00 0.09 C ATOM 401 C PHE A 27 6.913 2.639 -0.891 1.00 0.11 C ATOM 402 O PHE A 27 7.396 3.329 -1.769 1.00 0.13 O ATOM 403 CB PHE A 27 6.562 0.887 -2.627 1.00 0.10 C ATOM 404 CG PHE A 27 6.132 -0.547 -2.863 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.798 -0.842 -3.210 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.076 -1.585 -2.758 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.412 -2.178 -3.449 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.690 -2.917 -3.000 1.00 0.21 C ATOM 409 CZ PHE A 27 5.358 -3.214 -3.345 1.00 0.23 C ATOM 0 H PHE A 27 4.296 1.897 -2.136 1.00 0.08 H new ATOM 0 HA PHE A 27 6.368 0.572 -0.503 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.113 1.535 -3.380 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.643 0.970 -2.739 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.072 -0.046 -3.293 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.098 -1.360 -2.491 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.389 -2.405 -3.712 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.417 -3.712 -2.921 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.063 -4.236 -3.530 1.00 0.23 H new ATOM 419 N SER A 28 7.009 2.968 0.376 1.00 0.11 N ATOM 420 CA SER A 28 7.726 4.218 0.796 1.00 0.12 C ATOM 421 C SER A 28 8.989 3.856 1.575 1.00 0.10 C ATOM 422 O SER A 28 9.052 2.843 2.243 1.00 0.11 O ATOM 423 CB SER A 28 6.805 5.044 1.694 1.00 0.17 C ATOM 424 OG SER A 28 5.682 5.481 0.941 1.00 1.03 O ATOM 0 H SER A 28 6.619 2.421 1.143 1.00 0.11 H new ATOM 0 HA SER A 28 8.000 4.791 -0.089 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.477 4.447 2.545 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.344 5.902 2.096 1.00 0.17 H new ATOM 0 HG SER A 28 5.274 4.714 0.487 1.00 1.03 H new ATOM 430 N ALA A 29 9.997 4.687 1.505 1.00 0.10 N ATOM 431 CA ALA A 29 11.259 4.407 2.251 1.00 0.15 C ATOM 432 C ALA A 29 11.190 5.085 3.624 1.00 0.18 C ATOM 433 O ALA A 29 10.914 6.264 3.733 1.00 0.26 O ATOM 434 CB ALA A 29 12.448 4.951 1.451 1.00 0.19 C ATOM 0 H ALA A 29 10.000 5.550 0.961 1.00 0.10 H new ATOM 0 HA ALA A 29 11.384 3.333 2.388 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.373 4.749 1.991 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.484 4.465 0.476 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.334 6.027 1.316 1.00 0.19 H new ATOM 440 N THR A 30 11.425 4.345 4.673 1.00 0.18 N ATOM 441 CA THR A 30 11.359 4.933 6.044 1.00 0.23 C ATOM 442 C THR A 30 12.493 5.941 6.256 1.00 0.26 C ATOM 443 O THR A 30 12.385 6.844 7.060 1.00 0.31 O ATOM 444 CB THR A 30 11.478 3.816 7.080 1.00 0.26 C ATOM 445 OG1 THR A 30 11.328 4.362 8.383 1.00 0.32 O ATOM 446 CG2 THR A 30 12.848 3.148 6.959 1.00 0.28 C ATOM 0 H THR A 30 11.661 3.353 4.641 1.00 0.18 H new ATOM 0 HA THR A 30 10.406 5.449 6.157 1.00 0.23 H new ATOM 0 HB THR A 30 10.699 3.074 6.905 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.403 3.646 9.048 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.931 2.352 7.699 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.961 2.728 5.959 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.630 3.887 7.133 1.00 0.28 H new ATOM 454 N TRP A 31 13.587 5.792 5.556 1.00 0.26 N ATOM 455 CA TRP A 31 14.724 6.744 5.743 1.00 0.32 C ATOM 456 C TRP A 31 14.539 7.961 4.839 1.00 0.32 C ATOM 457 O TRP A 31 15.191 8.972 5.002 1.00 0.36 O ATOM 458 CB TRP A 31 16.042 6.047 5.386 1.00 0.34 C ATOM 459 CG TRP A 31 16.095 5.758 3.919 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.746 4.585 3.343 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.523 6.634 2.838 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.934 4.682 1.975 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.408 5.927 1.612 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.995 7.967 2.801 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.751 6.521 0.388 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.340 8.568 1.574 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.218 7.846 0.369 1.00 0.40 C ATOM 0 H TRP A 31 13.743 5.057 4.866 1.00 0.26 H new ATOM 0 HA TRP A 31 14.748 7.067 6.784 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.884 6.678 5.670 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.135 5.119 5.950 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.380 3.714 3.866 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.746 3.927 1.316 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.092 8.528 3.719 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.657 5.964 -0.532 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.699 9.586 1.556 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.484 8.312 -0.569 1.00 0.40 H new ATOM 478 N CYS A 32 13.663 7.869 3.879 1.00 0.28 N ATOM 479 CA CYS A 32 13.445 9.012 2.950 1.00 0.30 C ATOM 480 C CYS A 32 12.272 9.868 3.437 1.00 0.31 C ATOM 481 O CYS A 32 11.197 9.378 3.719 1.00 0.29 O ATOM 482 CB CYS A 32 13.160 8.457 1.553 1.00 0.28 C ATOM 483 SG CYS A 32 13.652 9.677 0.311 1.00 0.32 S ATOM 0 H CYS A 32 13.086 7.048 3.697 1.00 0.28 H new ATOM 0 HA CYS A 32 14.334 9.642 2.918 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.706 7.526 1.401 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.100 8.225 1.451 1.00 0.28 H new ATOM 488 N GLY A 33 12.488 11.149 3.543 1.00 0.34 N ATOM 489 CA GLY A 33 11.419 12.069 4.019 1.00 0.36 C ATOM 490 C GLY A 33 10.259 12.153 3.011 1.00 0.35 C ATOM 491 O GLY A 33 9.144 11.831 3.355 1.00 0.33 O ATOM 0 H GLY A 33 13.373 11.603 3.317 1.00 0.34 H new ATOM 0 HA2 GLY A 33 11.042 11.724 4.982 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.837 13.063 4.178 1.00 0.36 H new ATOM 495 N PRO A 34 10.540 12.607 1.807 1.00 0.37 N ATOM 496 CA PRO A 34 9.500 12.772 0.768 1.00 0.38 C ATOM 497 C PRO A 34 8.578 11.550 0.692 1.00 0.35 C ATOM 498 O PRO A 34 7.401 11.674 0.420 1.00 0.36 O ATOM 499 CB PRO A 34 10.294 12.981 -0.541 1.00 0.42 C ATOM 500 CG PRO A 34 11.746 13.353 -0.125 1.00 0.44 C ATOM 501 CD PRO A 34 11.902 12.980 1.369 1.00 0.40 C ATOM 0 HA PRO A 34 8.834 13.609 0.978 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.285 12.076 -1.149 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.848 13.773 -1.142 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.471 12.814 -0.734 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.930 14.417 -0.278 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.600 12.153 1.500 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.288 13.819 1.948 1.00 0.40 H new ATOM 509 N ALA A 35 9.088 10.379 0.932 1.00 0.33 N ATOM 510 CA ALA A 35 8.212 9.177 0.871 1.00 0.32 C ATOM 511 C ALA A 35 7.364 9.123 2.144 1.00 0.39 C ATOM 512 O ALA A 35 6.151 9.178 2.102 1.00 0.81 O ATOM 513 CB ALA A 35 9.080 7.919 0.768 1.00 0.36 C ATOM 0 H ALA A 35 10.065 10.200 1.166 1.00 0.33 H new ATOM 0 HA ALA A 35 7.561 9.230 -0.002 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.440 7.038 0.723 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.690 7.971 -0.134 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.729 7.852 1.641 1.00 0.36 H new ATOM 519 N LYS A 36 8.003 9.021 3.271 1.00 0.30 N ATOM 520 CA LYS A 36 7.265 8.969 4.564 1.00 0.28 C ATOM 521 C LYS A 36 6.449 10.252 4.763 1.00 0.24 C ATOM 522 O LYS A 36 5.553 10.303 5.582 1.00 0.25 O ATOM 523 CB LYS A 36 8.283 8.830 5.699 1.00 0.35 C ATOM 524 CG LYS A 36 7.576 8.948 7.051 1.00 0.38 C ATOM 525 CD LYS A 36 8.521 8.487 8.165 1.00 0.49 C ATOM 526 CE LYS A 36 9.797 9.335 8.145 1.00 1.22 C ATOM 527 NZ LYS A 36 10.490 9.216 9.459 1.00 1.92 N ATOM 0 H LYS A 36 9.018 8.971 3.355 1.00 0.30 H new ATOM 0 HA LYS A 36 6.582 8.120 4.561 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.791 7.868 5.627 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.047 9.602 5.610 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.269 9.980 7.224 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.670 8.341 7.054 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.028 8.577 9.133 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.770 7.434 8.031 1.00 0.49 H new ATOM 0 HE2 LYS A 36 10.455 9.002 7.343 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.551 10.378 7.944 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 11.357 9.791 9.448 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.861 9.553 10.215 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 10.737 8.221 9.632 1.00 1.92 H new ATOM 541 N MET A 37 6.760 11.291 4.040 1.00 0.23 N ATOM 542 CA MET A 37 6.009 12.567 4.213 1.00 0.24 C ATOM 543 C MET A 37 4.528 12.356 3.892 1.00 0.20 C ATOM 544 O MET A 37 3.682 13.120 4.309 1.00 0.20 O ATOM 545 CB MET A 37 6.582 13.643 3.283 1.00 0.29 C ATOM 546 CG MET A 37 6.108 15.025 3.741 1.00 1.31 C ATOM 547 SD MET A 37 7.001 15.495 5.248 1.00 2.12 S ATOM 548 CE MET A 37 5.580 16.043 6.228 1.00 3.13 C ATOM 0 H MET A 37 7.500 11.313 3.338 1.00 0.23 H new ATOM 0 HA MET A 37 6.109 12.892 5.249 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.671 13.601 3.289 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.262 13.459 2.257 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.283 15.761 2.956 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.035 15.010 3.930 1.00 1.31 H new ATOM 0 HE1 MET A 37 5.921 16.378 7.208 1.00 3.13 H new ATOM 0 HE2 MET A 37 5.081 16.866 5.717 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.881 15.215 6.350 1.00 3.13 H new ATOM 558 N ILE A 38 4.208 11.338 3.135 1.00 0.18 N ATOM 559 CA ILE A 38 2.780 11.095 2.764 1.00 0.15 C ATOM 560 C ILE A 38 2.147 10.059 3.693 1.00 0.16 C ATOM 561 O ILE A 38 1.081 9.547 3.418 1.00 0.16 O ATOM 562 CB ILE A 38 2.714 10.601 1.313 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.488 11.588 0.420 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.243 10.503 0.846 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.581 11.055 -1.029 1.00 0.28 C ATOM 0 H ILE A 38 4.874 10.664 2.757 1.00 0.18 H new ATOM 0 HA ILE A 38 2.225 12.028 2.864 1.00 0.15 H new ATOM 0 HB ILE A 38 3.161 9.609 1.243 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.991 12.558 0.425 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.490 11.741 0.822 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.211 10.151 -0.185 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.704 9.803 1.485 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.775 11.485 0.909 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.132 11.767 -1.644 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.100 10.096 -1.031 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.577 10.926 -1.434 1.00 0.28 H new ATOM 577 N LYS A 39 2.770 9.741 4.799 1.00 0.19 N ATOM 578 CA LYS A 39 2.141 8.738 5.703 1.00 0.22 C ATOM 579 C LYS A 39 0.865 9.282 6.385 1.00 0.20 C ATOM 580 O LYS A 39 -0.025 8.509 6.658 1.00 0.21 O ATOM 581 CB LYS A 39 3.147 8.165 6.739 1.00 0.31 C ATOM 582 CG LYS A 39 3.391 9.108 7.942 1.00 0.34 C ATOM 583 CD LYS A 39 3.907 8.295 9.143 1.00 0.45 C ATOM 584 CE LYS A 39 2.812 7.342 9.672 1.00 1.16 C ATOM 585 NZ LYS A 39 3.059 5.969 9.144 1.00 1.62 N ATOM 0 H LYS A 39 3.664 10.122 5.108 1.00 0.19 H new ATOM 0 HA LYS A 39 1.832 7.907 5.069 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.775 7.208 7.106 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.097 7.968 6.242 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.116 9.877 7.673 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.467 9.621 8.208 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.785 7.720 8.848 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.221 8.972 9.938 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.818 7.332 10.762 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.828 7.692 9.362 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.183 5.595 8.727 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.801 6.005 8.416 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.366 5.349 9.920 1.00 1.62 H new ATOM 599 N PRO A 40 0.775 10.572 6.676 1.00 0.20 N ATOM 600 CA PRO A 40 -0.427 11.088 7.351 1.00 0.21 C ATOM 601 C PRO A 40 -1.648 10.927 6.438 1.00 0.17 C ATOM 602 O PRO A 40 -2.760 11.238 6.813 1.00 0.20 O ATOM 603 CB PRO A 40 -0.115 12.568 7.660 1.00 0.24 C ATOM 604 CG PRO A 40 1.348 12.833 7.206 1.00 0.25 C ATOM 605 CD PRO A 40 1.792 11.610 6.376 1.00 0.21 C ATOM 0 HA PRO A 40 -0.666 10.548 8.267 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.807 13.225 7.133 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.230 12.772 8.725 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.408 13.745 6.612 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.000 12.971 8.068 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.821 11.842 5.311 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.792 11.280 6.658 1.00 0.21 H new ATOM 613 N PHE A 41 -1.442 10.434 5.243 1.00 0.14 N ATOM 614 CA PHE A 41 -2.578 10.228 4.289 1.00 0.14 C ATOM 615 C PHE A 41 -2.798 8.726 4.101 1.00 0.11 C ATOM 616 O PHE A 41 -3.672 8.139 4.701 1.00 0.13 O ATOM 617 CB PHE A 41 -2.233 10.864 2.934 1.00 0.15 C ATOM 618 CG PHE A 41 -2.441 12.357 3.012 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.451 13.177 3.584 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.629 12.927 2.516 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.647 14.569 3.661 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.827 14.319 2.592 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.836 15.140 3.166 1.00 0.27 C ATOM 0 H PHE A 41 -0.527 10.162 4.883 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.482 10.691 4.685 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.199 10.643 2.669 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -2.860 10.439 2.150 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.540 12.738 3.964 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.388 12.297 2.077 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -0.887 15.199 4.099 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.738 14.757 2.211 1.00 0.30 H new ATOM 0 HZ PHE A 41 -2.988 16.208 3.227 1.00 0.27 H new ATOM 633 N PHE A 42 -2.005 8.110 3.271 1.00 0.10 N ATOM 634 CA PHE A 42 -2.146 6.646 3.014 1.00 0.11 C ATOM 635 C PHE A 42 -2.448 5.882 4.312 1.00 0.11 C ATOM 636 O PHE A 42 -3.438 5.183 4.411 1.00 0.12 O ATOM 637 CB PHE A 42 -0.834 6.134 2.413 1.00 0.13 C ATOM 638 CG PHE A 42 -0.877 4.630 2.294 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.618 4.035 1.261 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.171 3.826 3.212 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.656 2.635 1.140 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.210 2.424 3.092 1.00 0.10 C ATOM 643 CZ PHE A 42 -0.953 1.828 2.056 1.00 0.10 C ATOM 0 H PHE A 42 -1.254 8.563 2.751 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.976 6.482 2.327 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.674 6.581 1.432 1.00 0.13 H new ATOM 0 HB3 PHE A 42 0.005 6.434 3.040 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.159 4.653 0.559 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.399 4.285 4.006 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.225 2.178 0.344 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.330 1.806 3.794 1.00 0.10 H new ATOM 0 HZ PHE A 42 -0.984 0.752 1.963 1.00 0.10 H new ATOM 653 N HIS A 43 -1.606 5.998 5.299 1.00 0.14 N ATOM 654 CA HIS A 43 -1.849 5.263 6.576 1.00 0.16 C ATOM 655 C HIS A 43 -3.099 5.818 7.278 1.00 0.16 C ATOM 656 O HIS A 43 -3.830 5.085 7.915 1.00 0.18 O ATOM 657 CB HIS A 43 -0.587 5.368 7.466 1.00 0.21 C ATOM 658 CG HIS A 43 -0.933 5.283 8.932 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.859 4.099 9.649 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.381 6.231 9.816 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.256 4.363 10.907 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.586 5.649 11.063 1.00 0.39 N ATOM 0 H HIS A 43 -0.761 6.568 5.280 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.038 4.209 6.374 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.108 4.569 7.209 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.077 6.310 7.266 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.549 7.271 9.580 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.302 3.626 11.695 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.917 6.105 11.913 1.00 0.39 H new ATOM 670 N SER A 44 -3.359 7.091 7.175 1.00 0.20 N ATOM 671 CA SER A 44 -4.571 7.644 7.848 1.00 0.25 C ATOM 672 C SER A 44 -5.836 7.033 7.232 1.00 0.20 C ATOM 673 O SER A 44 -6.791 6.744 7.927 1.00 0.21 O ATOM 674 CB SER A 44 -4.608 9.164 7.698 1.00 0.34 C ATOM 675 OG SER A 44 -4.684 9.504 6.321 1.00 0.97 O ATOM 0 H SER A 44 -2.794 7.767 6.661 1.00 0.20 H new ATOM 0 HA SER A 44 -4.530 7.392 8.908 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.467 9.572 8.232 1.00 0.34 H new ATOM 0 HB3 SER A 44 -3.717 9.606 8.144 1.00 0.34 H new ATOM 0 HG SER A 44 -4.324 8.769 5.782 1.00 0.97 H new ATOM 681 N LEU A 45 -5.859 6.832 5.940 1.00 0.18 N ATOM 682 CA LEU A 45 -7.076 6.239 5.306 1.00 0.18 C ATOM 683 C LEU A 45 -7.468 4.967 6.060 1.00 0.16 C ATOM 684 O LEU A 45 -8.575 4.481 5.941 1.00 0.23 O ATOM 685 CB LEU A 45 -6.793 5.880 3.839 1.00 0.19 C ATOM 686 CG LEU A 45 -6.405 7.129 3.032 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.187 6.728 1.570 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.522 8.187 3.113 1.00 0.50 C ATOM 0 H LEU A 45 -5.095 7.050 5.300 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.885 6.968 5.347 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -5.989 5.146 3.789 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.675 5.417 3.397 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.490 7.554 3.445 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.911 7.608 0.989 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.388 5.989 1.511 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.106 6.302 1.169 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.233 9.066 2.537 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.445 7.774 2.706 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.679 8.471 4.154 1.00 0.50 H new ATOM 700 N SER A 46 -6.571 4.424 6.833 1.00 0.20 N ATOM 701 CA SER A 46 -6.897 3.184 7.592 1.00 0.25 C ATOM 702 C SER A 46 -8.123 3.427 8.474 1.00 0.17 C ATOM 703 O SER A 46 -8.927 2.543 8.691 1.00 0.15 O ATOM 704 CB SER A 46 -5.709 2.798 8.472 1.00 0.36 C ATOM 705 OG SER A 46 -4.566 2.589 7.654 1.00 0.51 O ATOM 0 H SER A 46 -5.627 4.784 6.973 1.00 0.20 H new ATOM 0 HA SER A 46 -7.110 2.378 6.890 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.510 3.585 9.200 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.938 1.893 9.035 1.00 0.36 H new ATOM 0 HG SER A 46 -3.952 3.347 7.750 1.00 0.51 H new ATOM 711 N GLU A 47 -8.270 4.618 8.992 1.00 0.21 N ATOM 712 CA GLU A 47 -9.441 4.918 9.871 1.00 0.21 C ATOM 713 C GLU A 47 -10.583 5.505 9.039 1.00 0.18 C ATOM 714 O GLU A 47 -11.713 5.568 9.480 1.00 0.18 O ATOM 715 CB GLU A 47 -9.020 5.926 10.945 1.00 0.32 C ATOM 716 CG GLU A 47 -7.647 5.538 11.495 1.00 0.39 C ATOM 717 CD GLU A 47 -7.366 6.325 12.777 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.813 7.457 12.863 1.00 2.00 O ATOM 719 OE2 GLU A 47 -6.709 5.783 13.650 1.00 1.98 O ATOM 0 H GLU A 47 -7.629 5.398 8.845 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.783 3.997 10.343 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -8.984 6.930 10.523 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.755 5.944 11.750 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.615 4.468 11.699 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -6.875 5.744 10.753 1.00 0.39 H new ATOM 726 N LYS A 48 -10.302 5.935 7.839 1.00 0.18 N ATOM 727 CA LYS A 48 -11.378 6.518 6.981 1.00 0.17 C ATOM 728 C LYS A 48 -11.994 5.411 6.124 1.00 0.15 C ATOM 729 O LYS A 48 -13.121 5.509 5.682 1.00 0.18 O ATOM 730 CB LYS A 48 -10.773 7.590 6.070 1.00 0.21 C ATOM 731 CG LYS A 48 -11.892 8.439 5.464 1.00 0.26 C ATOM 732 CD LYS A 48 -11.285 9.530 4.580 1.00 1.09 C ATOM 733 CE LYS A 48 -12.378 10.141 3.702 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.647 10.225 4.479 1.00 2.16 N ATOM 0 H LYS A 48 -9.375 5.909 7.414 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.148 6.965 7.609 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.090 8.222 6.638 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.189 7.121 5.278 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.562 7.811 4.876 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.491 8.889 6.256 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.827 10.302 5.199 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.495 9.111 3.957 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.078 11.134 3.366 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.525 9.533 2.809 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.286 10.910 4.027 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -14.102 9.290 4.502 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.440 10.533 5.450 1.00 2.16 H new ATOM 748 N TYR A 49 -11.256 4.354 5.891 1.00 0.13 N ATOM 749 CA TYR A 49 -11.777 3.220 5.066 1.00 0.13 C ATOM 750 C TYR A 49 -11.482 1.902 5.785 1.00 0.11 C ATOM 751 O TYR A 49 -10.642 1.130 5.366 1.00 0.11 O ATOM 752 CB TYR A 49 -11.085 3.226 3.696 1.00 0.15 C ATOM 753 CG TYR A 49 -11.731 4.261 2.806 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.991 4.000 2.238 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.079 5.484 2.547 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.602 4.957 1.411 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.690 6.443 1.720 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.953 6.181 1.150 1.00 0.21 C ATOM 759 OH TYR A 49 -13.553 7.122 0.338 1.00 0.24 O ATOM 0 H TYR A 49 -10.306 4.227 6.240 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.853 3.328 4.926 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.024 3.445 3.814 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.158 2.240 3.236 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.489 3.063 2.438 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.111 5.684 2.983 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.569 4.755 0.975 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.192 7.380 1.521 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.972 7.908 0.263 1.00 0.24 H new ATOM 769 N SER A 50 -12.169 1.639 6.860 1.00 0.12 N ATOM 770 CA SER A 50 -11.933 0.372 7.603 1.00 0.13 C ATOM 771 C SER A 50 -12.381 -0.807 6.738 1.00 0.13 C ATOM 772 O SER A 50 -12.230 -1.955 7.105 1.00 0.14 O ATOM 773 CB SER A 50 -12.736 0.389 8.902 1.00 0.16 C ATOM 774 OG SER A 50 -14.124 0.433 8.596 1.00 0.17 O ATOM 0 H SER A 50 -12.885 2.248 7.257 1.00 0.12 H new ATOM 0 HA SER A 50 -10.873 0.272 7.836 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.510 -0.498 9.494 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.457 1.254 9.504 1.00 0.16 H new ATOM 0 HG SER A 50 -14.642 0.442 9.428 1.00 0.17 H new ATOM 780 N ASN A 51 -12.939 -0.528 5.590 1.00 0.13 N ATOM 781 CA ASN A 51 -13.411 -1.618 4.686 1.00 0.15 C ATOM 782 C ASN A 51 -12.330 -1.926 3.649 1.00 0.13 C ATOM 783 O ASN A 51 -12.469 -2.828 2.846 1.00 0.14 O ATOM 784 CB ASN A 51 -14.686 -1.158 3.977 1.00 0.17 C ATOM 785 CG ASN A 51 -15.309 -2.328 3.212 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.750 -2.804 2.244 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.455 -2.812 3.606 1.00 0.32 N ATOM 0 H ASN A 51 -13.089 0.417 5.237 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.616 -2.517 5.267 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.397 -0.769 4.706 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.456 -0.344 3.289 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.881 -3.589 3.101 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.925 -2.413 4.419 1.00 0.32 H new ATOM 794 N VAL A 52 -11.250 -1.183 3.664 1.00 0.11 N ATOM 795 CA VAL A 52 -10.142 -1.419 2.685 1.00 0.10 C ATOM 796 C VAL A 52 -8.898 -1.890 3.427 1.00 0.10 C ATOM 797 O VAL A 52 -8.658 -1.523 4.561 1.00 0.11 O ATOM 798 CB VAL A 52 -9.813 -0.113 1.962 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.583 -0.308 1.064 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.015 0.311 1.116 1.00 0.12 C ATOM 0 H VAL A 52 -11.087 -0.417 4.318 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.456 -2.175 1.966 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.593 0.663 2.695 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.354 0.627 0.552 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.730 -0.605 1.674 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.790 -1.084 0.327 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.785 1.242 0.598 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.237 -0.466 0.384 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.880 0.459 1.762 1.00 0.12 H new ATOM 810 N ILE A 53 -8.102 -2.703 2.791 1.00 0.09 N ATOM 811 CA ILE A 53 -6.861 -3.213 3.439 1.00 0.09 C ATOM 812 C ILE A 53 -5.670 -2.370 2.963 1.00 0.09 C ATOM 813 O ILE A 53 -5.501 -2.137 1.784 1.00 0.14 O ATOM 814 CB ILE A 53 -6.641 -4.671 3.021 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.963 -5.460 3.084 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.585 -5.315 3.926 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.701 -5.226 4.411 1.00 0.17 C ATOM 0 H ILE A 53 -8.259 -3.039 1.841 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.953 -3.149 4.523 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.285 -4.693 1.991 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.604 -5.163 2.254 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.758 -6.524 2.964 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.432 -6.351 3.626 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.646 -4.768 3.836 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.925 -5.284 4.961 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.628 -5.799 4.418 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.070 -5.547 5.240 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.929 -4.166 4.518 1.00 0.17 H new ATOM 829 N PHE A 54 -4.843 -1.915 3.871 1.00 0.08 N ATOM 830 CA PHE A 54 -3.651 -1.088 3.486 1.00 0.08 C ATOM 831 C PHE A 54 -2.377 -1.826 3.897 1.00 0.08 C ATOM 832 O PHE A 54 -2.259 -2.307 5.004 1.00 0.11 O ATOM 833 CB PHE A 54 -3.717 0.258 4.209 1.00 0.08 C ATOM 834 CG PHE A 54 -4.928 1.020 3.722 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.941 1.555 2.420 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.043 1.191 4.566 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.068 2.263 1.961 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.171 1.897 4.105 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.184 2.434 2.804 1.00 0.09 C ATOM 0 H PHE A 54 -4.941 -2.081 4.873 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.647 -0.922 2.409 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.777 0.104 5.286 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.810 0.832 4.019 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.086 1.422 1.773 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.033 0.781 5.565 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.077 2.675 0.963 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.027 2.027 4.751 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.049 2.977 2.452 1.00 0.09 H new ATOM 849 N LEU A 55 -1.425 -1.927 3.005 1.00 0.08 N ATOM 850 CA LEU A 55 -0.145 -2.642 3.318 1.00 0.09 C ATOM 851 C LEU A 55 1.002 -1.625 3.334 1.00 0.09 C ATOM 852 O LEU A 55 0.841 -0.484 2.947 1.00 0.10 O ATOM 853 CB LEU A 55 0.132 -3.696 2.229 1.00 0.10 C ATOM 854 CG LEU A 55 -0.658 -4.991 2.488 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.123 -4.680 2.814 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.587 -5.872 1.234 1.00 0.12 C ATOM 0 H LEU A 55 -1.478 -1.541 2.062 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.225 -3.131 4.289 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.137 -3.293 1.253 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.199 -3.918 2.199 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.221 -5.510 3.341 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.661 -5.611 2.993 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.173 -4.055 3.705 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.578 -4.153 1.975 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.143 -6.794 1.405 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -1.021 -5.338 0.389 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.454 -6.112 1.016 1.00 0.12 H new ATOM 868 N GLU A 56 2.163 -2.037 3.770 1.00 0.09 N ATOM 869 CA GLU A 56 3.335 -1.110 3.806 1.00 0.09 C ATOM 870 C GLU A 56 4.591 -1.905 3.440 1.00 0.09 C ATOM 871 O GLU A 56 4.741 -3.045 3.829 1.00 0.10 O ATOM 872 CB GLU A 56 3.480 -0.524 5.216 1.00 0.09 C ATOM 873 CG GLU A 56 4.440 0.673 5.193 1.00 0.11 C ATOM 874 CD GLU A 56 4.302 1.462 6.497 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.656 0.925 7.534 1.00 1.31 O ATOM 876 OE2 GLU A 56 3.845 2.593 6.438 1.00 1.24 O ATOM 0 H GLU A 56 2.352 -2.982 4.105 1.00 0.09 H new ATOM 0 HA GLU A 56 3.194 -0.293 3.098 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.505 -0.211 5.590 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.854 -1.287 5.899 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.467 0.327 5.071 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.217 1.316 4.341 1.00 0.11 H new ATOM 883 N VAL A 57 5.486 -1.322 2.679 1.00 0.08 N ATOM 884 CA VAL A 57 6.726 -2.056 2.266 1.00 0.08 C ATOM 885 C VAL A 57 7.948 -1.138 2.389 1.00 0.09 C ATOM 886 O VAL A 57 7.901 0.033 2.062 1.00 0.14 O ATOM 887 CB VAL A 57 6.577 -2.508 0.801 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.940 -2.960 0.251 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.578 -3.672 0.709 1.00 0.09 C ATOM 0 H VAL A 57 5.412 -0.368 2.325 1.00 0.08 H new ATOM 0 HA VAL A 57 6.864 -2.921 2.914 1.00 0.08 H new ATOM 0 HB VAL A 57 6.208 -1.669 0.211 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.827 -3.278 -0.785 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.646 -2.131 0.301 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.315 -3.792 0.847 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.479 -3.985 -0.330 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.938 -4.509 1.307 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.607 -3.349 1.085 1.00 0.09 H new ATOM 899 N ASP A 58 9.051 -1.685 2.840 1.00 0.09 N ATOM 900 CA ASP A 58 10.305 -0.884 2.972 1.00 0.09 C ATOM 901 C ASP A 58 11.189 -1.178 1.752 1.00 0.10 C ATOM 902 O ASP A 58 11.955 -2.122 1.738 1.00 0.11 O ATOM 903 CB ASP A 58 11.033 -1.294 4.262 1.00 0.11 C ATOM 904 CG ASP A 58 12.005 -0.188 4.685 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.544 0.799 5.233 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.192 -0.348 4.455 1.00 1.08 O ATOM 0 H ASP A 58 9.135 -2.661 3.124 1.00 0.09 H new ATOM 0 HA ASP A 58 10.080 0.181 3.019 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.309 -1.477 5.056 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.575 -2.226 4.104 1.00 0.11 H new ATOM 911 N VAL A 59 11.067 -0.386 0.723 1.00 0.12 N ATOM 912 CA VAL A 59 11.871 -0.610 -0.518 1.00 0.15 C ATOM 913 C VAL A 59 13.363 -0.735 -0.201 1.00 0.18 C ATOM 914 O VAL A 59 14.164 -0.904 -1.094 1.00 0.27 O ATOM 915 CB VAL A 59 11.674 0.574 -1.463 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.265 0.530 -2.046 1.00 0.19 C ATOM 917 CG2 VAL A 59 11.864 1.881 -0.688 1.00 0.22 C ATOM 0 H VAL A 59 10.438 0.416 0.686 1.00 0.12 H new ATOM 0 HA VAL A 59 11.532 -1.538 -0.978 1.00 0.15 H new ATOM 0 HB VAL A 59 12.404 0.520 -2.271 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.124 1.375 -2.720 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.128 -0.401 -2.596 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.535 0.585 -1.238 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.724 2.727 -1.361 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.134 1.935 0.119 1.00 0.22 H new ATOM 0 HG23 VAL A 59 12.870 1.913 -0.270 1.00 0.22 H new ATOM 927 N ASP A 60 13.754 -0.627 1.044 1.00 0.16 N ATOM 928 CA ASP A 60 15.211 -0.710 1.390 1.00 0.18 C ATOM 929 C ASP A 60 15.520 -1.961 2.213 1.00 0.17 C ATOM 930 O ASP A 60 16.438 -2.698 1.911 1.00 0.18 O ATOM 931 CB ASP A 60 15.585 0.523 2.200 1.00 0.21 C ATOM 932 CG ASP A 60 15.303 1.782 1.378 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.851 1.892 0.293 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.546 2.616 1.847 1.00 1.08 O ATOM 0 H ASP A 60 13.129 -0.485 1.838 1.00 0.16 H new ATOM 0 HA ASP A 60 15.787 -0.762 0.466 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.015 0.547 3.128 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.639 0.484 2.474 1.00 0.21 H new ATOM 939 N ASP A 61 14.782 -2.206 3.259 1.00 0.17 N ATOM 940 CA ASP A 61 15.058 -3.405 4.105 1.00 0.17 C ATOM 941 C ASP A 61 14.231 -4.589 3.583 1.00 0.16 C ATOM 942 O ASP A 61 14.408 -5.715 4.007 1.00 0.18 O ATOM 943 CB ASP A 61 14.702 -3.069 5.564 1.00 0.19 C ATOM 944 CG ASP A 61 14.478 -4.348 6.378 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.329 -5.220 6.321 1.00 1.12 O ATOM 946 OD2 ASP A 61 13.460 -4.430 7.046 1.00 1.07 O ATOM 0 H ASP A 61 13.999 -1.629 3.567 1.00 0.17 H new ATOM 0 HA ASP A 61 16.111 -3.681 4.059 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.504 -2.483 6.013 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.803 -2.453 5.591 1.00 0.19 H new ATOM 951 N ALA A 62 13.354 -4.339 2.644 1.00 0.16 N ATOM 952 CA ALA A 62 12.522 -5.436 2.047 1.00 0.16 C ATOM 953 C ALA A 62 12.710 -5.402 0.530 1.00 0.16 C ATOM 954 O ALA A 62 11.777 -5.570 -0.230 1.00 0.15 O ATOM 955 CB ALA A 62 11.046 -5.214 2.385 1.00 0.17 C ATOM 0 H ALA A 62 13.175 -3.412 2.259 1.00 0.16 H new ATOM 0 HA ALA A 62 12.831 -6.401 2.448 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.448 -6.014 1.948 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.917 -5.214 3.467 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.720 -4.256 1.980 1.00 0.17 H new ATOM 961 N GLN A 63 13.917 -5.168 0.088 1.00 0.20 N ATOM 962 CA GLN A 63 14.189 -5.102 -1.376 1.00 0.22 C ATOM 963 C GLN A 63 13.700 -6.381 -2.062 1.00 0.20 C ATOM 964 O GLN A 63 13.648 -6.461 -3.273 1.00 0.20 O ATOM 965 CB GLN A 63 15.695 -4.927 -1.601 1.00 0.29 C ATOM 966 CG GLN A 63 16.257 -3.969 -0.544 1.00 0.90 C ATOM 967 CD GLN A 63 17.620 -3.439 -0.995 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.009 -3.616 -2.132 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.367 -2.791 -0.142 1.00 2.22 N ATOM 0 H GLN A 63 14.732 -5.019 0.684 1.00 0.20 H new ATOM 0 HA GLN A 63 13.656 -4.254 -1.806 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.198 -5.892 -1.538 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.882 -4.534 -2.600 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.567 -3.139 -0.389 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.355 -4.484 0.411 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.040 -2.643 0.813 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.278 -2.433 -0.430 1.00 2.22 H new ATOM 978 N ASP A 64 13.332 -7.376 -1.305 1.00 0.19 N ATOM 979 CA ASP A 64 12.839 -8.632 -1.930 1.00 0.20 C ATOM 980 C ASP A 64 11.479 -8.358 -2.570 1.00 0.17 C ATOM 981 O ASP A 64 11.171 -8.850 -3.637 1.00 0.19 O ATOM 982 CB ASP A 64 12.700 -9.714 -0.851 1.00 0.22 C ATOM 983 CG ASP A 64 12.141 -9.088 0.427 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.918 -8.506 1.166 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.947 -9.204 0.647 1.00 1.09 O ATOM 0 H ASP A 64 13.351 -7.374 -0.285 1.00 0.19 H new ATOM 0 HA ASP A 64 13.540 -8.976 -2.691 1.00 0.20 H new ATOM 0 HB2 ASP A 64 12.039 -10.508 -1.199 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.669 -10.171 -0.651 1.00 0.22 H new ATOM 990 N VAL A 65 10.669 -7.563 -1.928 1.00 0.15 N ATOM 991 CA VAL A 65 9.336 -7.240 -2.499 1.00 0.16 C ATOM 992 C VAL A 65 9.522 -6.240 -3.645 1.00 0.16 C ATOM 993 O VAL A 65 8.959 -6.389 -4.711 1.00 0.19 O ATOM 994 CB VAL A 65 8.453 -6.628 -1.408 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.987 -6.682 -1.841 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.631 -7.423 -0.108 1.00 0.18 C ATOM 0 H VAL A 65 10.875 -7.123 -1.031 1.00 0.15 H new ATOM 0 HA VAL A 65 8.858 -8.144 -2.877 1.00 0.16 H new ATOM 0 HB VAL A 65 8.742 -5.590 -1.246 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.361 -6.246 -1.062 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.860 -6.120 -2.766 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.694 -7.719 -2.004 1.00 0.19 H new ATOM 0 HG21 VAL A 65 8.004 -6.991 0.672 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.341 -8.461 -0.273 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.675 -7.384 0.203 1.00 0.18 H new ATOM 1006 N ALA A 66 10.320 -5.227 -3.434 1.00 0.16 N ATOM 1007 CA ALA A 66 10.557 -4.223 -4.510 1.00 0.18 C ATOM 1008 C ALA A 66 11.235 -4.909 -5.696 1.00 0.19 C ATOM 1009 O ALA A 66 11.047 -4.532 -6.836 1.00 0.20 O ATOM 1010 CB ALA A 66 11.463 -3.108 -3.981 1.00 0.22 C ATOM 0 H ALA A 66 10.818 -5.052 -2.561 1.00 0.16 H new ATOM 0 HA ALA A 66 9.606 -3.795 -4.826 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.635 -2.375 -4.769 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.983 -2.622 -3.131 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.416 -3.533 -3.666 1.00 0.22 H new ATOM 1016 N SER A 67 12.023 -5.917 -5.435 1.00 0.21 N ATOM 1017 CA SER A 67 12.712 -6.628 -6.547 1.00 0.26 C ATOM 1018 C SER A 67 11.664 -7.286 -7.449 1.00 0.26 C ATOM 1019 O SER A 67 11.637 -7.073 -8.644 1.00 0.29 O ATOM 1020 CB SER A 67 13.641 -7.699 -5.971 1.00 0.31 C ATOM 1021 OG SER A 67 14.810 -7.074 -5.456 1.00 1.29 O ATOM 0 H SER A 67 12.218 -6.277 -4.501 1.00 0.21 H new ATOM 0 HA SER A 67 13.300 -5.918 -7.129 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.132 -8.253 -5.182 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.909 -8.419 -6.744 1.00 0.31 H new ATOM 0 HG SER A 67 14.656 -6.808 -4.525 1.00 1.29 H new ATOM 1027 N GLU A 68 10.800 -8.082 -6.882 1.00 0.26 N ATOM 1028 CA GLU A 68 9.752 -8.751 -7.703 1.00 0.30 C ATOM 1029 C GLU A 68 8.823 -7.693 -8.307 1.00 0.31 C ATOM 1030 O GLU A 68 8.277 -7.873 -9.377 1.00 0.36 O ATOM 1031 CB GLU A 68 8.942 -9.700 -6.817 1.00 0.31 C ATOM 1032 CG GLU A 68 8.029 -10.564 -7.690 1.00 0.39 C ATOM 1033 CD GLU A 68 8.875 -11.555 -8.493 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.573 -12.343 -7.877 1.00 2.19 O ATOM 1035 OE2 GLU A 68 8.809 -11.509 -9.711 1.00 2.20 O ATOM 0 H GLU A 68 10.774 -8.298 -5.885 1.00 0.26 H new ATOM 0 HA GLU A 68 10.224 -9.318 -8.506 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.613 -10.333 -6.237 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.347 -9.129 -6.104 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.315 -11.102 -7.066 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.451 -9.933 -8.365 1.00 0.39 H new ATOM 1042 N ALA A 69 8.638 -6.590 -7.628 1.00 0.29 N ATOM 1043 CA ALA A 69 7.740 -5.521 -8.163 1.00 0.31 C ATOM 1044 C ALA A 69 8.547 -4.566 -9.048 1.00 0.29 C ATOM 1045 O ALA A 69 8.001 -3.695 -9.698 1.00 0.33 O ATOM 1046 CB ALA A 69 7.131 -4.740 -6.997 1.00 0.31 C ATOM 0 H ALA A 69 9.069 -6.383 -6.727 1.00 0.29 H new ATOM 0 HA ALA A 69 6.946 -5.977 -8.754 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.476 -3.960 -7.384 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.555 -5.418 -6.367 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.928 -4.285 -6.408 1.00 0.31 H new ATOM 1052 N GLU A 70 9.840 -4.726 -9.084 1.00 0.27 N ATOM 1053 CA GLU A 70 10.684 -3.835 -9.933 1.00 0.29 C ATOM 1054 C GLU A 70 10.320 -2.367 -9.684 1.00 0.25 C ATOM 1055 O GLU A 70 10.010 -1.632 -10.601 1.00 0.26 O ATOM 1056 CB GLU A 70 10.455 -4.173 -11.407 1.00 0.38 C ATOM 1057 CG GLU A 70 10.925 -5.603 -11.682 1.00 1.18 C ATOM 1058 CD GLU A 70 10.773 -5.914 -13.171 1.00 1.61 C ATOM 1059 OE1 GLU A 70 11.610 -5.468 -13.938 1.00 2.06 O ATOM 1060 OE2 GLU A 70 9.822 -6.594 -13.520 1.00 2.34 O ATOM 0 H GLU A 70 10.352 -5.437 -8.561 1.00 0.27 H new ATOM 0 HA GLU A 70 11.732 -3.989 -9.677 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.398 -4.072 -11.654 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.999 -3.472 -12.040 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.966 -5.719 -11.380 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.341 -6.309 -11.091 1.00 1.18 H new ATOM 1067 N VAL A 71 10.368 -1.929 -8.454 1.00 0.22 N ATOM 1068 CA VAL A 71 10.039 -0.504 -8.153 1.00 0.19 C ATOM 1069 C VAL A 71 11.247 0.372 -8.491 1.00 0.23 C ATOM 1070 O VAL A 71 12.375 0.020 -8.204 1.00 0.28 O ATOM 1071 CB VAL A 71 9.701 -0.360 -6.671 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.192 1.056 -6.411 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.610 -1.367 -6.297 1.00 0.19 C ATOM 0 H VAL A 71 10.621 -2.496 -7.645 1.00 0.22 H new ATOM 0 HA VAL A 71 9.182 -0.191 -8.749 1.00 0.19 H new ATOM 0 HB VAL A 71 10.591 -0.549 -6.071 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.948 1.167 -5.354 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.964 1.776 -6.683 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.300 1.238 -7.010 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.368 -1.265 -5.239 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.718 -1.175 -6.893 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.966 -2.379 -6.492 1.00 0.19 H new ATOM 1083 N LYS A 72 11.022 1.509 -9.106 1.00 0.24 N ATOM 1084 CA LYS A 72 12.157 2.418 -9.477 1.00 0.29 C ATOM 1085 C LYS A 72 11.853 3.844 -9.008 1.00 0.26 C ATOM 1086 O LYS A 72 12.652 4.745 -9.179 1.00 0.27 O ATOM 1087 CB LYS A 72 12.331 2.410 -10.998 1.00 0.35 C ATOM 1088 CG LYS A 72 12.843 1.034 -11.445 1.00 0.43 C ATOM 1089 CD LYS A 72 12.692 0.878 -12.973 1.00 1.16 C ATOM 1090 CE LYS A 72 11.298 0.338 -13.317 1.00 1.66 C ATOM 1091 NZ LYS A 72 11.119 0.336 -14.797 1.00 2.40 N ATOM 0 H LYS A 72 10.097 1.849 -9.369 1.00 0.24 H new ATOM 0 HA LYS A 72 13.072 2.070 -8.998 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.382 2.633 -11.485 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.034 3.187 -11.299 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.889 0.918 -11.162 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.286 0.248 -10.935 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.847 1.840 -13.461 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.456 0.200 -13.354 1.00 1.16 H new ATOM 0 HE2 LYS A 72 11.180 -0.672 -12.924 1.00 1.66 H new ATOM 0 HE3 LYS A 72 10.531 0.954 -12.848 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 10.174 -0.030 -15.032 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 11.215 1.306 -15.160 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 11.843 -0.270 -15.233 1.00 2.40 H new ATOM 1105 N ALA A 73 10.710 4.060 -8.413 1.00 0.22 N ATOM 1106 CA ALA A 73 10.366 5.437 -7.929 1.00 0.20 C ATOM 1107 C ALA A 73 9.409 5.326 -6.739 1.00 0.18 C ATOM 1108 O ALA A 73 8.413 4.642 -6.809 1.00 0.16 O ATOM 1109 CB ALA A 73 9.701 6.233 -9.072 1.00 0.21 C ATOM 0 H ALA A 73 10.000 3.349 -8.240 1.00 0.22 H new ATOM 0 HA ALA A 73 11.271 5.957 -7.616 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.451 7.234 -8.721 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.390 6.306 -9.914 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.792 5.722 -9.390 1.00 0.21 H new ATOM 1115 N THR A 74 9.698 6.005 -5.652 1.00 0.18 N ATOM 1116 CA THR A 74 8.796 5.948 -4.454 1.00 0.17 C ATOM 1117 C THR A 74 8.156 7.335 -4.253 1.00 0.17 C ATOM 1118 O THR A 74 8.767 8.329 -4.593 1.00 0.19 O ATOM 1119 CB THR A 74 9.629 5.609 -3.197 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.826 6.370 -3.219 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.001 4.111 -3.141 1.00 0.19 C ATOM 0 H THR A 74 10.521 6.597 -5.542 1.00 0.18 H new ATOM 0 HA THR A 74 8.030 5.188 -4.608 1.00 0.17 H new ATOM 0 HB THR A 74 9.026 5.846 -2.321 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.360 6.162 -2.424 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.586 3.915 -2.243 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.091 3.511 -3.120 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.588 3.849 -4.021 1.00 0.19 H new ATOM 1129 N PRO A 75 6.965 7.392 -3.677 1.00 0.17 N ATOM 1130 CA PRO A 75 6.175 6.213 -3.243 1.00 0.16 C ATOM 1131 C PRO A 75 5.493 5.563 -4.459 1.00 0.14 C ATOM 1132 O PRO A 75 5.046 6.244 -5.361 1.00 0.14 O ATOM 1133 CB PRO A 75 5.117 6.799 -2.280 1.00 0.17 C ATOM 1134 CG PRO A 75 5.141 8.347 -2.458 1.00 0.20 C ATOM 1135 CD PRO A 75 6.330 8.688 -3.384 1.00 0.19 C ATOM 0 HA PRO A 75 6.785 5.443 -2.771 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.128 6.401 -2.506 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.342 6.527 -1.249 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.204 8.698 -2.891 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.251 8.842 -1.493 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.992 9.178 -4.297 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.028 9.369 -2.897 1.00 0.19 H new ATOM 1143 N THR A 76 5.396 4.252 -4.477 1.00 0.13 N ATOM 1144 CA THR A 76 4.724 3.553 -5.626 1.00 0.12 C ATOM 1145 C THR A 76 3.448 2.895 -5.109 1.00 0.12 C ATOM 1146 O THR A 76 3.503 1.951 -4.348 1.00 0.18 O ATOM 1147 CB THR A 76 5.652 2.463 -6.195 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.987 2.930 -6.174 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.255 2.139 -7.639 1.00 0.13 C ATOM 0 H THR A 76 5.752 3.635 -3.747 1.00 0.13 H new ATOM 0 HA THR A 76 4.496 4.274 -6.411 1.00 0.12 H new ATOM 0 HB THR A 76 5.562 1.563 -5.587 1.00 0.12 H new ATOM 0 HG1 THR A 76 7.038 3.794 -6.633 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.916 1.367 -8.034 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.226 1.781 -7.662 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.340 3.037 -8.250 1.00 0.13 H new ATOM 1157 N PHE A 77 2.298 3.364 -5.509 1.00 0.09 N ATOM 1158 CA PHE A 77 1.047 2.721 -5.017 1.00 0.09 C ATOM 1159 C PHE A 77 0.696 1.565 -5.935 1.00 0.09 C ATOM 1160 O PHE A 77 0.583 1.718 -7.133 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.108 3.721 -4.991 1.00 0.10 C ATOM 1162 CG PHE A 77 0.157 4.736 -3.916 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.150 4.430 -2.579 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.717 5.984 -4.246 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.104 5.376 -1.567 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.970 6.931 -3.237 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.664 6.628 -1.897 1.00 0.12 C ATOM 0 H PHE A 77 2.170 4.151 -6.145 1.00 0.09 H new ATOM 0 HA PHE A 77 1.210 2.362 -4.001 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.204 4.212 -5.959 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.049 3.206 -4.800 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.580 3.471 -2.328 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.953 6.215 -5.274 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.130 5.143 -0.539 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.399 7.889 -3.490 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.858 7.354 -1.121 1.00 0.12 H new ATOM 1177 N GLN A 78 0.524 0.406 -5.369 1.00 0.07 N ATOM 1178 CA GLN A 78 0.174 -0.797 -6.171 1.00 0.07 C ATOM 1179 C GLN A 78 -1.110 -1.374 -5.590 1.00 0.06 C ATOM 1180 O GLN A 78 -1.266 -1.469 -4.389 1.00 0.07 O ATOM 1181 CB GLN A 78 1.311 -1.814 -6.066 1.00 0.08 C ATOM 1182 CG GLN A 78 2.649 -1.117 -6.324 1.00 0.12 C ATOM 1183 CD GLN A 78 3.722 -2.164 -6.632 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.557 -1.962 -7.491 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.734 -3.283 -5.960 1.00 1.03 N ATOM 0 H GLN A 78 0.613 0.238 -4.367 1.00 0.07 H new ATOM 0 HA GLN A 78 0.030 -0.547 -7.222 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.313 -2.272 -5.077 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.162 -2.617 -6.788 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.554 -0.423 -7.159 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.939 -0.530 -5.453 1.00 0.12 H new ATOM 0 HE21 GLN A 78 3.033 -3.452 -5.239 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.445 -3.988 -6.156 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.045 -1.725 -6.430 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.350 -2.260 -5.935 1.00 0.07 C ATOM 1196 C PHE A 79 -3.434 -3.760 -6.180 1.00 0.07 C ATOM 1197 O PHE A 79 -3.146 -4.247 -7.256 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.484 -1.548 -6.676 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.470 -0.087 -6.288 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.442 0.747 -6.747 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.471 0.431 -5.454 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.409 2.104 -6.375 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.443 1.785 -5.073 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.414 2.624 -5.533 1.00 0.11 C ATOM 0 H PHE A 79 -1.962 -1.665 -7.445 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.434 -2.082 -4.863 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.358 -1.655 -7.753 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.444 -1.998 -6.421 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.671 0.347 -7.389 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.265 -0.211 -5.103 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.617 2.745 -6.733 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.213 2.180 -4.427 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.393 3.664 -5.243 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.837 -4.493 -5.174 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.964 -5.973 -5.300 1.00 0.08 C ATOM 1216 C PHE A 80 -5.364 -6.387 -4.861 1.00 0.11 C ATOM 1217 O PHE A 80 -6.015 -5.713 -4.087 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.933 -6.662 -4.401 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.560 -6.580 -5.029 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.739 -5.466 -4.775 1.00 0.09 C ATOM 1221 CD2 PHE A 80 -1.096 -7.621 -5.856 1.00 0.14 C ATOM 1222 CE1 PHE A 80 0.543 -5.392 -5.348 1.00 0.11 C ATOM 1223 CE2 PHE A 80 0.189 -7.546 -6.428 1.00 0.17 C ATOM 1224 CZ PHE A 80 1.010 -6.429 -6.172 1.00 0.14 C ATOM 0 H PHE A 80 -4.087 -4.121 -4.258 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.791 -6.266 -6.336 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.921 -6.189 -3.419 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.210 -7.705 -4.249 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.093 -4.668 -4.140 1.00 0.09 H new ATOM 0 HD2 PHE A 80 -1.725 -8.477 -6.052 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.171 -4.535 -5.154 1.00 0.11 H new ATOM 0 HE2 PHE A 80 0.545 -8.344 -7.063 1.00 0.17 H new ATOM 0 HZ PHE A 80 1.996 -6.371 -6.609 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.828 -7.494 -5.350 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.175 -7.975 -4.963 1.00 0.14 C ATOM 1236 C LYS A 81 -7.212 -9.479 -5.215 1.00 0.14 C ATOM 1237 O LYS A 81 -6.948 -9.935 -6.310 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.243 -7.253 -5.801 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.598 -7.312 -5.085 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.620 -6.467 -5.850 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.850 -6.236 -4.969 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.903 -5.539 -5.760 1.00 1.48 N ATOM 0 H LYS A 81 -5.328 -8.092 -6.007 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.381 -7.768 -3.913 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.952 -6.215 -5.961 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.321 -7.717 -6.784 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.941 -8.344 -5.019 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.498 -6.944 -4.064 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.178 -5.512 -6.135 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.909 -6.972 -6.772 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.229 -7.188 -4.598 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.580 -5.639 -4.098 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.830 -5.692 -5.314 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.697 -4.520 -5.790 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.918 -5.918 -6.728 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.505 -10.254 -4.210 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.531 -11.732 -4.388 1.00 0.20 C ATOM 1258 C LYS A 82 -6.179 -12.213 -4.932 1.00 0.20 C ATOM 1259 O LYS A 82 -6.103 -13.185 -5.657 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.651 -12.123 -5.365 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.998 -12.141 -4.637 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.105 -12.499 -5.630 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.470 -12.227 -4.998 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.538 -12.820 -5.852 1.00 1.67 N ATOM 0 H LYS A 82 -7.728 -9.927 -3.270 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.719 -12.203 -3.423 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.685 -11.416 -6.194 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.446 -13.105 -5.792 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.975 -12.866 -3.824 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.196 -11.167 -4.190 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.992 -11.913 -6.542 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.027 -13.549 -5.914 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.511 -12.655 -3.996 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.627 -11.153 -4.893 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.467 -12.636 -5.423 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.503 -12.392 -6.799 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.390 -13.846 -5.930 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.110 -11.555 -4.575 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.769 -11.994 -5.060 1.00 0.21 C ATOM 1280 C GLY A 83 -3.527 -11.508 -6.490 1.00 0.19 C ATOM 1281 O GLY A 83 -2.509 -11.810 -7.083 1.00 0.22 O ATOM 0 H GLY A 83 -5.106 -10.734 -3.970 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.993 -11.604 -4.402 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.701 -13.081 -5.024 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.448 -10.763 -7.054 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.262 -10.262 -8.460 1.00 0.17 C ATOM 1287 C GLN A 84 -4.055 -8.748 -8.458 1.00 0.16 C ATOM 1288 O GLN A 84 -4.627 -8.030 -7.663 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.508 -10.571 -9.286 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.813 -12.071 -9.230 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.235 -12.322 -9.738 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.444 -13.143 -10.609 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.226 -11.647 -9.226 1.00 2.08 N ATOM 0 H GLN A 84 -5.319 -10.479 -6.606 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.390 -10.756 -8.888 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.357 -10.004 -8.905 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.356 -10.261 -10.320 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.096 -12.622 -9.838 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.711 -12.436 -8.208 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.050 -10.958 -8.495 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.177 -11.808 -9.557 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.248 -8.257 -9.363 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.007 -6.789 -9.443 1.00 0.17 C ATOM 1304 C LYS A 85 -4.088 -6.166 -10.333 1.00 0.16 C ATOM 1305 O LYS A 85 -4.432 -6.709 -11.365 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.620 -6.534 -10.032 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.165 -5.120 -9.642 1.00 0.25 C ATOM 1308 CD LYS A 85 0.108 -4.732 -10.395 1.00 0.30 C ATOM 1309 CE LYS A 85 1.153 -5.847 -10.292 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.205 -6.358 -8.893 1.00 1.70 N ATOM 0 H LYS A 85 -2.744 -8.815 -10.053 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.051 -6.341 -8.450 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.911 -7.274 -9.660 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.647 -6.635 -11.117 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.957 -4.404 -9.864 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -0.986 -5.074 -8.568 1.00 0.25 H new ATOM 0 HD2 LYS A 85 -0.126 -4.540 -11.442 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.513 -3.807 -9.984 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.903 -6.658 -10.977 1.00 0.89 H new ATOM 0 HE3 LYS A 85 2.132 -5.470 -10.588 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.122 -6.819 -8.726 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.090 -5.565 -8.229 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 0.439 -7.046 -8.746 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.646 -5.047 -9.929 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.735 -4.401 -10.737 1.00 0.16 C ATOM 1326 C VAL A 86 -5.390 -2.939 -11.053 1.00 0.18 C ATOM 1327 O VAL A 86 -6.011 -2.324 -11.898 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.032 -4.449 -9.928 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.591 -5.873 -9.946 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.743 -4.040 -8.483 1.00 0.17 C ATOM 0 H VAL A 86 -4.394 -4.552 -9.073 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.846 -4.938 -11.679 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.759 -3.765 -10.365 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.515 -5.908 -9.370 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.793 -6.172 -10.975 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.863 -6.555 -9.507 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.666 -4.073 -7.904 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -6.017 -4.727 -8.049 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.340 -3.027 -8.465 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.420 -2.369 -10.393 1.00 0.15 N ATOM 1341 CA GLY A 87 -4.079 -0.943 -10.689 1.00 0.18 C ATOM 1342 C GLY A 87 -2.774 -0.549 -9.993 1.00 0.10 C ATOM 1343 O GLY A 87 -2.278 -1.250 -9.135 1.00 0.08 O ATOM 0 H GLY A 87 -3.855 -2.817 -9.672 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.981 -0.802 -11.765 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.887 -0.293 -10.355 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.211 0.574 -10.365 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.936 1.017 -9.732 1.00 0.10 C ATOM 1349 C GLU A 88 -0.566 2.419 -10.218 1.00 0.10 C ATOM 1350 O GLU A 88 -0.829 2.788 -11.344 1.00 0.11 O ATOM 1351 CB GLU A 88 0.181 0.040 -10.107 1.00 0.17 C ATOM 1352 CG GLU A 88 0.096 -0.284 -11.600 1.00 0.25 C ATOM 1353 CD GLU A 88 1.303 -1.130 -12.008 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.254 -1.178 -11.245 1.00 2.04 O ATOM 1355 OE2 GLU A 88 1.257 -1.717 -13.077 1.00 1.94 O ATOM 0 H GLU A 88 -2.581 1.201 -11.079 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.064 1.037 -8.650 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.153 0.475 -9.873 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.091 -0.874 -9.520 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.828 -0.822 -11.814 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.071 0.637 -12.182 1.00 0.25 H new ATOM 1362 N PHE A 89 0.062 3.196 -9.375 1.00 0.09 N ATOM 1363 CA PHE A 89 0.473 4.567 -9.791 1.00 0.09 C ATOM 1364 C PHE A 89 1.418 5.176 -8.751 1.00 0.09 C ATOM 1365 O PHE A 89 1.169 5.132 -7.567 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.762 5.463 -10.001 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.361 5.914 -8.682 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.713 6.897 -7.901 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.587 5.369 -8.245 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.289 7.324 -6.692 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.159 5.800 -7.033 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.511 6.779 -6.258 1.00 0.11 C ATOM 0 H PHE A 89 0.307 2.940 -8.419 1.00 0.09 H new ATOM 0 HA PHE A 89 1.005 4.498 -10.740 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.482 6.336 -10.590 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.513 4.919 -10.574 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.224 7.320 -8.233 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.087 4.620 -8.841 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.792 8.073 -6.094 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.095 5.379 -6.698 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.952 7.112 -5.330 1.00 0.11 H new ATOM 1382 N SER A 90 2.508 5.754 -9.194 1.00 0.13 N ATOM 1383 CA SER A 90 3.483 6.385 -8.248 1.00 0.14 C ATOM 1384 C SER A 90 3.294 7.901 -8.290 1.00 0.14 C ATOM 1385 O SER A 90 2.328 8.400 -8.831 1.00 0.17 O ATOM 1386 CB SER A 90 4.910 6.039 -8.677 1.00 0.15 C ATOM 1387 OG SER A 90 5.308 6.909 -9.729 1.00 0.16 O ATOM 0 H SER A 90 2.767 5.816 -10.179 1.00 0.13 H new ATOM 0 HA SER A 90 3.313 6.014 -7.237 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.590 6.137 -7.831 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.961 5.002 -9.008 1.00 0.15 H new ATOM 0 HG SER A 90 6.196 7.274 -9.533 1.00 0.16 H new ATOM 1393 N GLY A 91 4.207 8.641 -7.721 1.00 0.12 N ATOM 1394 CA GLY A 91 4.075 10.129 -7.728 1.00 0.13 C ATOM 1395 C GLY A 91 3.245 10.565 -6.521 1.00 0.13 C ATOM 1396 O GLY A 91 2.196 10.017 -6.246 1.00 0.13 O ATOM 0 H GLY A 91 5.038 8.281 -7.252 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.060 10.594 -7.694 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.598 10.460 -8.651 1.00 0.13 H new ATOM 1400 N ALA A 92 3.712 11.537 -5.788 1.00 0.15 N ATOM 1401 CA ALA A 92 2.951 11.992 -4.589 1.00 0.17 C ATOM 1402 C ALA A 92 1.564 12.508 -4.993 1.00 0.15 C ATOM 1403 O ALA A 92 1.395 13.662 -5.334 1.00 0.16 O ATOM 1404 CB ALA A 92 3.732 13.113 -3.882 1.00 0.20 C ATOM 0 H ALA A 92 4.584 12.035 -5.966 1.00 0.15 H new ATOM 0 HA ALA A 92 2.824 11.147 -3.913 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.177 13.446 -3.005 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.707 12.738 -3.572 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.866 13.951 -4.567 1.00 0.20 H new ATOM 1410 N ASN A 93 0.569 11.667 -4.923 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.820 12.101 -5.259 1.00 0.13 C ATOM 1412 C ASN A 93 -1.767 11.437 -4.256 1.00 0.12 C ATOM 1413 O ASN A 93 -2.488 10.513 -4.577 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.172 11.671 -6.692 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.322 12.535 -7.219 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.430 12.764 -8.407 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.191 13.024 -6.378 1.00 1.15 N ATOM 0 H ASN A 93 0.658 10.690 -4.645 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.909 13.186 -5.203 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.300 11.774 -7.338 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.457 10.619 -6.707 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.962 13.599 -6.718 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.100 12.831 -5.381 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.744 11.889 -3.030 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.611 11.277 -1.982 1.00 0.20 C ATOM 1426 C LYS A 94 -4.086 11.413 -2.361 1.00 0.18 C ATOM 1427 O LYS A 94 -4.895 10.564 -2.043 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.363 11.978 -0.637 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.310 13.517 -0.830 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.849 14.006 -0.891 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.300 14.196 0.527 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.173 14.412 0.464 1.00 1.19 N ATOM 0 H LYS A 94 -1.159 12.660 -2.708 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.365 10.218 -1.898 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.155 11.720 0.066 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.426 11.627 -0.204 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.830 13.792 -1.748 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.830 14.010 -0.009 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.238 13.284 -1.433 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.794 14.946 -1.440 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.783 15.048 1.004 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.524 13.320 1.136 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.620 14.002 1.308 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.555 13.953 -0.388 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.373 15.432 0.427 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.449 12.467 -3.032 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.873 12.640 -3.415 1.00 0.20 C ATOM 1448 C GLU A 95 -6.266 11.536 -4.398 1.00 0.17 C ATOM 1449 O GLU A 95 -7.416 11.157 -4.495 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.054 14.007 -4.074 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.993 15.101 -3.006 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.064 16.475 -3.675 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.990 16.694 -4.438 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -5.190 17.286 -3.411 1.00 1.95 O ATOM 0 H GLU A 95 -3.822 13.214 -3.331 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.506 12.579 -2.530 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.276 14.169 -4.820 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.010 14.047 -4.596 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.818 14.984 -2.304 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.071 15.012 -2.432 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.317 11.014 -5.125 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.633 9.933 -6.097 1.00 0.14 C ATOM 1463 C LYS A 96 -5.997 8.654 -5.343 1.00 0.12 C ATOM 1464 O LYS A 96 -6.855 7.909 -5.763 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.427 9.672 -7.005 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.873 8.868 -8.229 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.667 8.568 -9.121 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.131 7.830 -10.377 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.967 7.609 -11.281 1.00 2.05 N ATOM 0 H LYS A 96 -4.336 11.290 -5.087 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.478 10.244 -6.712 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.984 10.617 -7.319 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.658 9.126 -6.458 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.343 7.937 -7.912 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.621 9.428 -8.790 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.165 9.496 -9.396 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.942 7.962 -8.578 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.581 6.875 -10.105 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.899 8.410 -10.890 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.171 8.017 -12.216 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.124 8.067 -10.880 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.793 6.588 -11.380 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.358 8.382 -4.232 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.703 7.138 -3.483 1.00 0.11 C ATOM 1485 C LEU A 97 -7.213 7.110 -3.253 1.00 0.11 C ATOM 1486 O LEU A 97 -7.839 6.069 -3.284 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.996 7.107 -2.116 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.470 7.011 -2.294 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.783 7.426 -0.981 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.051 5.558 -2.671 1.00 0.13 C ATOM 0 H LEU A 97 -4.625 8.958 -3.818 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.380 6.275 -4.065 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.245 8.006 -1.552 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.354 6.257 -1.535 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.164 7.677 -3.101 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.701 7.360 -1.100 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.059 8.451 -0.734 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.101 6.761 -0.178 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.969 5.511 -2.792 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.357 4.874 -1.879 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.534 5.271 -3.605 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.801 8.250 -3.019 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.273 8.293 -2.784 1.00 0.14 C ATOM 1504 C GLU A 98 -10.002 7.898 -4.072 1.00 0.13 C ATOM 1505 O GLU A 98 -10.819 7.000 -4.086 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.684 9.714 -2.374 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.069 9.690 -1.718 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.127 9.306 -2.755 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.389 10.113 -3.632 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.657 8.211 -2.654 1.00 2.15 O ATOM 0 H GLU A 98 -7.328 9.153 -2.980 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.538 7.597 -1.988 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -8.951 10.128 -1.681 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.698 10.364 -3.249 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.079 8.977 -0.894 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.299 10.668 -1.296 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.712 8.570 -5.152 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.385 8.248 -6.442 1.00 0.14 C ATOM 1519 C ALA A 99 -10.105 6.795 -6.842 1.00 0.12 C ATOM 1520 O ALA A 99 -10.993 6.081 -7.257 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.863 9.182 -7.533 1.00 0.15 C ATOM 0 H ALA A 99 -9.035 9.332 -5.197 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.460 8.381 -6.322 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.354 8.948 -8.478 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.076 10.216 -7.260 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.787 9.049 -7.641 1.00 0.15 H new ATOM 1527 N THR A 100 -8.878 6.358 -6.736 1.00 0.11 N ATOM 1528 CA THR A 100 -8.543 4.957 -7.130 1.00 0.11 C ATOM 1529 C THR A 100 -9.249 3.969 -6.200 1.00 0.10 C ATOM 1530 O THR A 100 -9.847 3.008 -6.643 1.00 0.11 O ATOM 1531 CB THR A 100 -7.029 4.751 -7.039 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.367 5.853 -7.640 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.643 3.463 -7.770 1.00 0.12 C ATOM 0 H THR A 100 -8.092 6.911 -6.393 1.00 0.11 H new ATOM 0 HA THR A 100 -8.876 4.784 -8.153 1.00 0.11 H new ATOM 0 HB THR A 100 -6.734 4.675 -5.992 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.344 6.604 -7.010 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.565 3.317 -7.705 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.152 2.617 -7.309 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.937 3.537 -8.817 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.193 4.195 -4.920 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.873 3.261 -3.975 1.00 0.11 C ATOM 1543 C ILE A 101 -11.367 3.235 -4.308 1.00 0.13 C ATOM 1544 O ILE A 101 -11.951 2.186 -4.490 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.657 3.752 -2.532 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.198 3.477 -2.110 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.617 3.019 -1.583 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.802 4.357 -0.913 1.00 0.18 C ATOM 0 H ILE A 101 -8.709 4.981 -4.485 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.461 2.256 -4.069 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.855 4.823 -2.481 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.082 2.425 -1.848 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.529 3.672 -2.948 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.460 3.371 -0.563 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.646 3.219 -1.881 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.427 1.947 -1.630 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.770 4.147 -0.632 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.897 5.408 -1.187 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.458 4.141 -0.070 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.987 4.378 -4.398 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.440 4.417 -4.726 1.00 0.17 C ATOM 1562 C ASN A 102 -13.670 3.806 -6.111 1.00 0.18 C ATOM 1563 O ASN A 102 -14.777 3.461 -6.472 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.919 5.871 -4.727 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.412 5.918 -5.056 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -15.801 5.746 -6.194 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.271 6.148 -4.100 1.00 1.03 N ATOM 0 H ASN A 102 -11.550 5.289 -4.258 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.996 3.847 -3.982 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.736 6.326 -3.753 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.356 6.450 -5.460 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.269 6.183 -4.309 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.944 6.292 -3.145 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.632 3.680 -6.893 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.790 3.104 -8.260 1.00 0.18 C ATOM 1576 C GLU A 103 -12.939 1.580 -8.184 1.00 0.19 C ATOM 1577 O GLU A 103 -13.934 1.022 -8.602 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.551 3.446 -9.101 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.880 3.299 -10.589 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.629 3.588 -11.421 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.541 3.425 -10.895 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -10.782 3.966 -12.571 1.00 2.01 O ATOM 0 H GLU A 103 -11.681 3.951 -6.644 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.684 3.526 -8.719 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.226 4.465 -8.890 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.725 2.786 -8.834 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.241 2.291 -10.794 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.680 3.986 -10.865 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.942 0.907 -7.679 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.997 -0.585 -7.599 1.00 0.19 C ATOM 1591 C LEU A 104 -12.606 -1.031 -6.264 1.00 0.19 C ATOM 1592 O LEU A 104 -12.438 -2.159 -5.847 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.569 -1.133 -7.722 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.945 -0.690 -9.060 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.419 -0.779 -8.966 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.428 -1.599 -10.199 1.00 0.35 C ATOM 0 H LEU A 104 -11.086 1.326 -7.316 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.622 -0.968 -8.406 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.961 -0.774 -6.892 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.582 -2.221 -7.661 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.248 0.337 -9.265 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.977 -0.466 -9.912 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.065 -0.128 -8.167 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.127 -1.807 -8.752 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.980 -1.275 -11.138 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.134 -2.628 -9.993 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.514 -1.540 -10.276 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.322 -0.168 -5.593 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.941 -0.572 -4.296 1.00 0.22 C ATOM 1610 C VAL A 105 -14.984 -1.662 -4.552 1.00 0.26 C ATOM 1611 O VAL A 105 -15.730 -1.527 -5.508 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.615 0.636 -3.640 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.678 1.207 -4.580 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.274 0.201 -2.328 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.017 -2.613 -3.789 1.00 1.18 O ATOM 0 H VAL A 105 -13.504 0.792 -5.884 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.166 -0.953 -3.630 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.866 1.401 -3.436 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.156 2.067 -4.110 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.209 1.518 -5.513 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.428 0.444 -4.788 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.754 1.060 -1.860 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -16.021 -0.566 -2.533 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.516 -0.202 -1.656 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 23.117 -1.367 4.855 1.00 0.00 N ATOM 1627 CA PHE B 1 22.676 -0.022 4.390 1.00 0.00 C ATOM 1628 C PHE B 1 21.143 0.008 4.319 1.00 0.00 C ATOM 1629 O PHE B 1 20.478 -0.859 4.849 1.00 0.00 O ATOM 1630 CB PHE B 1 23.289 0.262 3.013 1.00 0.00 C ATOM 1631 CG PHE B 1 22.642 -0.618 1.966 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.866 -2.008 1.978 1.00 0.00 C ATOM 1633 CD2 PHE B 1 21.809 -0.048 0.986 1.00 0.00 C ATOM 1634 CE1 PHE B 1 22.258 -2.826 1.007 1.00 0.00 C ATOM 1635 CE2 PHE B 1 21.200 -0.863 0.016 1.00 0.00 C ATOM 1636 CZ PHE B 1 21.425 -2.254 0.024 1.00 0.00 C ATOM 0 H1 PHE B 1 24.146 -1.363 5.003 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.640 -1.599 5.749 1.00 0.00 H new ATOM 0 H3 PHE B 1 22.873 -2.079 4.138 1.00 0.00 H new ATOM 0 HA PHE B 1 23.010 0.747 5.086 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.150 1.312 2.754 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.363 0.080 3.040 1.00 0.00 H new ATOM 0 HD1 PHE B 1 23.504 -2.446 2.731 1.00 0.00 H new ATOM 0 HD2 PHE B 1 21.637 1.018 0.979 1.00 0.00 H new ATOM 0 HE1 PHE B 1 22.430 -3.892 1.015 1.00 0.00 H new ATOM 0 HE2 PHE B 1 20.560 -0.423 -0.735 1.00 0.00 H new ATOM 0 HZ PHE B 1 20.960 -2.881 -0.722 1.00 0.00 H new ATOM 1648 N ARG B 2 20.571 0.998 3.685 1.00 0.00 N ATOM 1649 CA ARG B 2 19.082 1.057 3.613 1.00 0.00 C ATOM 1650 C ARG B 2 18.665 2.122 2.569 1.00 0.00 C ATOM 1651 O ARG B 2 17.562 2.629 2.554 1.00 0.00 O ATOM 1652 CB ARG B 2 18.556 1.346 5.049 1.00 0.00 C ATOM 1653 CG ARG B 2 17.254 2.157 5.064 1.00 0.00 C ATOM 1654 CD ARG B 2 16.659 2.122 6.475 1.00 0.00 C ATOM 1655 NE ARG B 2 16.116 0.760 6.745 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.820 0.400 7.964 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.986 1.236 8.952 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.355 -0.798 8.196 1.00 0.00 N ATOM 0 H ARG B 2 21.064 1.760 3.219 1.00 0.00 H new ATOM 0 HA ARG B 2 18.642 0.118 3.279 1.00 0.00 H new ATOM 0 HB2 ARG B 2 18.393 0.401 5.567 1.00 0.00 H new ATOM 0 HB3 ARG B 2 19.320 1.887 5.607 1.00 0.00 H new ATOM 0 HG2 ARG B 2 17.449 3.186 4.763 1.00 0.00 H new ATOM 0 HG3 ARG B 2 16.545 1.744 4.346 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.423 2.374 7.211 1.00 0.00 H new ATOM 0 HD3 ARG B 2 15.868 2.867 6.568 1.00 0.00 H new ATOM 0 HE ARG B 2 15.975 0.107 5.974 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.348 2.173 8.772 1.00 0.00 H new ATOM 0 HH12 ARG B 2 15.754 0.953 9.904 1.00 0.00 H new ATOM 0 HH21 ARG B 2 15.223 -1.452 7.425 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.124 -1.080 9.149 1.00 0.00 H new ATOM 1672 N PHE B 3 19.556 2.434 1.662 1.00 0.00 N ATOM 1673 CA PHE B 3 19.248 3.437 0.587 1.00 0.00 C ATOM 1674 C PHE B 3 18.973 2.715 -0.738 1.00 0.00 C ATOM 1675 O PHE B 3 19.387 1.592 -0.937 1.00 0.00 O ATOM 1676 CB PHE B 3 20.446 4.372 0.414 1.00 0.00 C ATOM 1677 CG PHE B 3 20.528 5.306 1.597 1.00 0.00 C ATOM 1678 CD1 PHE B 3 21.061 4.850 2.818 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.070 6.632 1.481 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.132 5.720 3.923 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.141 7.501 2.585 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.672 7.046 3.807 1.00 0.00 C ATOM 0 H PHE B 3 20.494 2.035 1.617 1.00 0.00 H new ATOM 0 HA PHE B 3 18.366 4.011 0.872 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.365 3.792 0.330 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.345 4.944 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.415 3.834 2.907 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.664 6.982 0.544 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.539 5.370 4.860 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.788 8.518 2.495 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.727 7.713 4.655 1.00 0.00 H new ATOM 1692 N ARG B 4 18.274 3.351 -1.652 1.00 0.00 N ATOM 1693 CA ARG B 4 17.980 2.689 -2.964 1.00 0.00 C ATOM 1694 C ARG B 4 17.841 3.746 -4.077 1.00 0.00 C ATOM 1695 O ARG B 4 18.831 4.279 -4.539 1.00 0.00 O ATOM 1696 CB ARG B 4 16.685 1.853 -2.839 1.00 0.00 C ATOM 1697 CG ARG B 4 16.993 0.422 -2.308 1.00 0.00 C ATOM 1698 CD ARG B 4 16.081 -0.607 -2.988 1.00 0.00 C ATOM 1699 NE ARG B 4 16.655 -0.976 -4.313 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.215 -2.032 -4.943 1.00 0.00 C ATOM 1701 NH1 ARG B 4 15.257 -2.748 -4.422 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.731 -2.369 -6.093 1.00 0.00 N ATOM 0 H ARG B 4 17.897 4.293 -1.546 1.00 0.00 H new ATOM 0 HA ARG B 4 18.805 2.027 -3.228 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.989 2.353 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG B 4 16.196 1.787 -3.811 1.00 0.00 H new ATOM 0 HG2 ARG B 4 18.037 0.174 -2.497 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.848 0.389 -1.228 1.00 0.00 H new ATOM 0 HD2 ARG B 4 15.984 -1.494 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG B 4 15.080 -0.195 -3.115 1.00 0.00 H new ATOM 0 HE ARG B 4 17.391 -0.404 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.853 -2.483 -3.524 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.912 -3.573 -4.913 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.479 -1.808 -6.501 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.387 -3.194 -6.584 1.00 0.00 H new ATOM 1716 N TYR B 5 16.634 4.038 -4.534 1.00 0.00 N ATOM 1717 CA TYR B 5 16.465 5.046 -5.645 1.00 0.00 C ATOM 1718 C TYR B 5 15.843 6.356 -5.132 1.00 0.00 C ATOM 1719 O TYR B 5 15.698 6.575 -3.945 1.00 0.00 O ATOM 1720 CB TYR B 5 15.604 4.449 -6.778 1.00 0.00 C ATOM 1721 CG TYR B 5 14.484 3.603 -6.229 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.713 2.254 -5.892 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.204 4.156 -6.088 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.655 1.465 -5.398 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.147 3.371 -5.602 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.371 2.024 -5.253 1.00 0.00 C ATOM 1727 OH TYR B 5 11.334 1.255 -4.771 1.00 0.00 O ATOM 0 H TYR B 5 15.767 3.626 -4.189 1.00 0.00 H new ATOM 0 HA TYR B 5 17.455 5.282 -6.035 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.190 5.254 -7.385 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.231 3.845 -7.434 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.697 1.826 -6.012 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.031 5.188 -6.354 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.829 0.433 -5.131 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.161 3.799 -5.495 1.00 0.00 H new ATOM 0 HH TYR B 5 11.678 0.381 -4.491 1.00 0.00 H new ATOM 1737 N VAL B 6 15.533 7.250 -6.042 1.00 0.00 N ATOM 1738 CA VAL B 6 14.980 8.590 -5.666 1.00 0.00 C ATOM 1739 C VAL B 6 13.554 8.504 -5.120 1.00 0.00 C ATOM 1740 O VAL B 6 12.762 7.669 -5.514 1.00 0.00 O ATOM 1741 CB VAL B 6 14.960 9.488 -6.912 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.896 10.958 -6.494 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.222 9.247 -7.733 1.00 0.00 C ATOM 0 H VAL B 6 15.642 7.104 -7.046 1.00 0.00 H new ATOM 0 HA VAL B 6 15.620 8.997 -4.883 1.00 0.00 H new ATOM 0 HB VAL B 6 14.082 9.248 -7.512 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.882 11.589 -7.383 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.991 11.132 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.769 11.203 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.208 9.884 -8.617 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.099 9.482 -7.130 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.263 8.202 -8.040 1.00 0.00 H new ATOM 1753 N CYS B 7 13.219 9.411 -4.233 1.00 0.00 N ATOM 1754 CA CYS B 7 11.841 9.463 -3.662 1.00 0.00 C ATOM 1755 C CYS B 7 11.073 10.591 -4.346 1.00 0.00 C ATOM 1756 O CYS B 7 11.170 11.740 -3.960 1.00 0.00 O ATOM 1757 CB CYS B 7 11.918 9.725 -2.156 1.00 0.00 C ATOM 1758 SG CYS B 7 13.276 8.763 -1.449 1.00 0.00 S ATOM 0 H CYS B 7 13.853 10.126 -3.877 1.00 0.00 H new ATOM 0 HA CYS B 7 11.331 8.514 -3.828 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.073 10.787 -1.968 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.977 9.451 -1.679 1.00 0.00 H new ATOM 1763 N GLU B 8 10.322 10.286 -5.367 1.00 0.00 N ATOM 1764 CA GLU B 8 9.567 11.359 -6.076 1.00 0.00 C ATOM 1765 C GLU B 8 8.258 11.655 -5.340 1.00 0.00 C ATOM 1766 O GLU B 8 7.211 11.825 -5.942 1.00 0.00 O ATOM 1767 CB GLU B 8 9.269 10.919 -7.512 1.00 0.00 C ATOM 1768 CG GLU B 8 8.874 9.443 -7.521 1.00 0.00 C ATOM 1769 CD GLU B 8 8.219 9.097 -8.861 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.582 9.710 -9.851 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.366 8.224 -8.873 1.00 0.00 O ATOM 0 H GLU B 8 10.198 9.345 -5.741 1.00 0.00 H new ATOM 0 HA GLU B 8 10.172 12.265 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.464 11.524 -7.930 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.145 11.076 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.754 8.819 -7.363 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.184 9.235 -6.703 1.00 0.00 H new ATOM 1778 N GLY B 9 8.314 11.751 -4.043 1.00 0.00 N ATOM 1779 CA GLY B 9 7.082 12.076 -3.277 1.00 0.00 C ATOM 1780 C GLY B 9 6.739 13.548 -3.583 1.00 0.00 C ATOM 1781 O GLY B 9 6.734 13.917 -4.740 1.00 0.00 O ATOM 0 H GLY B 9 9.156 11.619 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.262 11.420 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.242 11.931 -2.209 1.00 0.00 H new ATOM 1785 N PRO B 10 6.483 14.374 -2.581 1.00 0.00 N ATOM 1786 CA PRO B 10 6.183 15.792 -2.847 1.00 0.00 C ATOM 1787 C PRO B 10 7.435 16.480 -3.420 1.00 0.00 C ATOM 1788 O PRO B 10 7.591 17.682 -3.336 1.00 0.00 O ATOM 1789 CB PRO B 10 5.785 16.385 -1.474 1.00 0.00 C ATOM 1790 CG PRO B 10 5.976 15.263 -0.411 1.00 0.00 C ATOM 1791 CD PRO B 10 6.452 13.993 -1.152 1.00 0.00 C ATOM 0 HA PRO B 10 5.385 15.931 -3.577 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.404 17.250 -1.235 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.750 16.728 -1.489 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.707 15.566 0.338 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.041 15.071 0.116 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.437 13.679 -0.805 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.773 13.158 -0.981 1.00 0.00 H new ATOM 1799 N SER B 11 8.324 15.718 -4.001 1.00 0.00 N ATOM 1800 CA SER B 11 9.564 16.300 -4.584 1.00 0.00 C ATOM 1801 C SER B 11 9.291 16.719 -6.030 1.00 0.00 C ATOM 1802 O SER B 11 10.109 17.346 -6.672 1.00 0.00 O ATOM 1803 CB SER B 11 10.675 15.244 -4.560 1.00 0.00 C ATOM 1804 OG SER B 11 11.926 15.871 -4.813 1.00 0.00 O ATOM 0 H SER B 11 8.241 14.706 -4.096 1.00 0.00 H new ATOM 0 HA SER B 11 9.873 17.169 -4.004 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.696 14.743 -3.592 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.481 14.478 -5.311 1.00 0.00 H new ATOM 0 HG SER B 11 11.821 16.533 -5.528 1.00 0.00 H new ATOM 1810 N HIS B 12 8.142 16.372 -6.546 1.00 0.00 N ATOM 1811 CA HIS B 12 7.808 16.742 -7.952 1.00 0.00 C ATOM 1812 C HIS B 12 6.285 16.771 -8.122 1.00 0.00 C ATOM 1813 O HIS B 12 5.589 17.494 -7.437 1.00 0.00 O ATOM 1814 CB HIS B 12 8.413 15.708 -8.904 1.00 0.00 C ATOM 1815 CG HIS B 12 8.250 16.177 -10.324 1.00 0.00 C ATOM 1816 ND1 HIS B 12 8.560 17.469 -10.716 1.00 0.00 N ATOM 1817 CD2 HIS B 12 7.812 15.538 -11.457 1.00 0.00 C ATOM 1818 CE1 HIS B 12 8.307 17.567 -12.033 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.848 16.417 -12.535 1.00 0.00 N ATOM 0 H HIS B 12 7.419 15.847 -6.053 1.00 0.00 H new ATOM 0 HA HIS B 12 8.216 17.727 -8.180 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.469 15.563 -8.677 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.923 14.744 -8.770 1.00 0.00 H new ATOM 0 HD2 HIS B 12 7.488 14.509 -11.505 1.00 0.00 H new ATOM 0 HE1 HIS B 12 8.456 18.465 -12.614 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.581 16.225 -13.501 1.00 0.00 H new ATOM 1827 N GLY B 13 5.763 15.992 -9.030 1.00 0.00 N ATOM 1828 CA GLY B 13 4.287 15.977 -9.240 1.00 0.00 C ATOM 1829 C GLY B 13 3.862 17.253 -9.970 1.00 0.00 C ATOM 1830 O GLY B 13 4.701 17.838 -10.635 1.00 0.00 O ATOM 1831 OXT GLY B 13 2.706 17.623 -9.849 1.00 0.00 O ATOM 0 H GLY B 13 6.294 15.366 -9.635 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.001 15.100 -9.821 1.00 0.00 H new ATOM 0 HA3 GLY B 13 3.773 15.906 -8.281 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.175 -10.269 -1.279 1.00 0.24 O HETATM 1839 O HOH A 107 8.323 -3.014 5.044 1.00 0.40 O HETATM 1842 O HOH A 108 12.596 1.225 2.448 1.00 0.32 O HETATM 1845 O HOH A 109 -9.075 -8.796 -0.148 1.00 0.26 O HETATM 1848 O HOH A 110 -7.497 -12.904 0.401 1.00 0.21 O HETATM 1851 O HOH A 111 -12.313 -2.716 0.314 1.00 0.37 O