USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=24 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.356 (180deg=-1.39!) USER MOD Single : A 3 LYS NZ :NH3+ -118:sc= -1.25 (180deg=-4.33!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= -0.0628 (180deg=-0.56) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.0024) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0226) USER MOD Single : A 28 SER OG : rot 43:sc=-0.00339 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -127:sc= -0.0374 (180deg=-0.48) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -117:sc= -1.11 (180deg=-3.12!) USER MOD Single : A 43 HIS : no HD1:sc= -0.632 K(o=-0.63,f=-0.13) USER MOD Single : A 44 SER OG : rot 146:sc= 0.88 USER MOD Single : A 46 SER OG : rot 78:sc= -0.65 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.63 K(o=-1.6,f=-3.3!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 67 SER OG : rot 64:sc= 1.09 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 76 THR OG1 : rot -30:sc= -3.44! USER MOD Single : A 78 GLN : amide:sc= -2.34 K(o=-2.3,f=-2.9!) USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.254) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.515 K(o=-0.51,f=-0.0019) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 132:sc= 1.11 USER MOD Single : A 93 ASN : amide:sc= -4.4! C(o=-4.4!,f=-1.9!) USER MOD Single : A 94 LYS NZ :NH3+ 152:sc= -0.281 (180deg=-1.18!) USER MOD Single : A 96 LYS NZ :NH3+ 135:sc= -0.204 (180deg=-1.22!) USER MOD Single : A 100 THR OG1 : rot -169:sc= 0.103 USER MOD Single : A 102 ASN : amide:sc= -0.538 K(o=-0.54,f=0.068) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 TYR OH : rot 9:sc= -2.79! USER MOD Single : B 11 SER OG : rot -38:sc= 0.376 USER MOD Single : B 12 HIS : no HD1:sc= -1.55 X(o=-1.6,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.488 -2.281 8.491 1.00 0.73 N ATOM 2 CA MET A 1 -6.286 -2.250 9.370 1.00 0.31 C ATOM 3 C MET A 1 -5.025 -2.184 8.502 1.00 0.24 C ATOM 4 O MET A 1 -5.052 -2.497 7.329 1.00 0.21 O ATOM 5 CB MET A 1 -6.248 -3.514 10.237 1.00 0.70 C ATOM 6 CG MET A 1 -7.623 -3.750 10.875 1.00 1.55 C ATOM 7 SD MET A 1 -8.739 -4.477 9.648 1.00 2.25 S ATOM 8 CE MET A 1 -10.236 -4.480 10.666 1.00 2.89 C ATOM 0 H1 MET A 1 -8.139 -1.518 8.766 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.198 -2.149 7.501 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.968 -3.198 8.591 1.00 0.73 H new ATOM 0 HA MET A 1 -6.331 -1.373 10.016 1.00 0.31 H new ATOM 0 HB2 MET A 1 -5.967 -4.374 9.629 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.490 -3.411 11.013 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.528 -4.413 11.735 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.032 -2.809 11.242 1.00 1.55 H new ATOM 0 HE1 MET A 1 -11.065 -4.896 10.093 1.00 2.89 H new ATOM 0 HE2 MET A 1 -10.069 -5.086 11.556 1.00 2.89 H new ATOM 0 HE3 MET A 1 -10.477 -3.459 10.962 1.00 2.89 H new ATOM 20 N VAL A 2 -3.922 -1.773 9.072 1.00 0.24 N ATOM 21 CA VAL A 2 -2.653 -1.679 8.286 1.00 0.19 C ATOM 22 C VAL A 2 -1.844 -2.964 8.472 1.00 0.22 C ATOM 23 O VAL A 2 -2.103 -3.750 9.364 1.00 0.28 O ATOM 24 CB VAL A 2 -1.838 -0.483 8.790 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.451 -0.473 8.132 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.580 0.811 8.444 1.00 0.30 C ATOM 0 H VAL A 2 -3.844 -1.497 10.051 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.883 -1.546 7.229 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.714 -0.561 9.870 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.119 0.381 8.498 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.076 -1.394 8.380 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.562 -0.399 7.050 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.005 1.666 8.800 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.704 0.882 7.363 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.560 0.808 8.922 1.00 0.30 H new ATOM 36 N LYS A 3 -0.866 -3.182 7.638 1.00 0.18 N ATOM 37 CA LYS A 3 -0.030 -4.412 7.759 1.00 0.22 C ATOM 38 C LYS A 3 1.339 -4.146 7.133 1.00 0.16 C ATOM 39 O LYS A 3 1.445 -3.807 5.970 1.00 0.13 O ATOM 40 CB LYS A 3 -0.707 -5.580 7.029 1.00 0.26 C ATOM 41 CG LYS A 3 -0.010 -6.898 7.392 1.00 0.34 C ATOM 42 CD LYS A 3 -0.903 -8.079 6.996 1.00 0.81 C ATOM 43 CE LYS A 3 -0.094 -9.376 7.056 1.00 1.37 C ATOM 44 NZ LYS A 3 0.880 -9.403 5.930 1.00 1.97 N ATOM 0 H LYS A 3 -0.607 -2.559 6.873 1.00 0.18 H new ATOM 0 HA LYS A 3 0.085 -4.671 8.812 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.761 -5.629 7.302 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.664 -5.421 5.952 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.949 -6.967 6.879 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.197 -6.929 8.462 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.760 -8.141 7.667 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.296 -7.930 5.990 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.432 -9.446 8.008 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.760 -10.236 6.996 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 0.670 -10.210 5.309 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 0.807 -8.520 5.386 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 1.844 -9.498 6.307 1.00 1.97 H new ATOM 58 N GLN A 4 2.387 -4.286 7.897 1.00 0.18 N ATOM 59 CA GLN A 4 3.753 -4.037 7.356 1.00 0.15 C ATOM 60 C GLN A 4 4.317 -5.336 6.771 1.00 0.13 C ATOM 61 O GLN A 4 4.230 -6.390 7.371 1.00 0.14 O ATOM 62 CB GLN A 4 4.657 -3.540 8.494 1.00 0.20 C ATOM 63 CG GLN A 4 6.133 -3.592 8.067 1.00 0.21 C ATOM 64 CD GLN A 4 6.980 -2.750 9.026 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.693 -2.673 10.204 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.023 -2.114 8.566 1.00 0.98 N ATOM 0 H GLN A 4 2.356 -4.564 8.878 1.00 0.18 H new ATOM 0 HA GLN A 4 3.709 -3.284 6.569 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.385 -2.519 8.763 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.507 -4.155 9.381 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.485 -4.624 8.066 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.240 -3.218 7.049 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.264 -2.178 7.577 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.597 -1.553 9.196 1.00 0.98 H new ATOM 75 N ILE A 5 4.911 -5.255 5.609 1.00 0.10 N ATOM 76 CA ILE A 5 5.514 -6.460 4.960 1.00 0.10 C ATOM 77 C ILE A 5 7.038 -6.322 5.042 1.00 0.10 C ATOM 78 O ILE A 5 7.624 -5.480 4.387 1.00 0.11 O ATOM 79 CB ILE A 5 5.100 -6.505 3.487 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.600 -6.162 3.333 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.422 -7.880 2.881 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.696 -7.074 4.182 1.00 0.19 C ATOM 0 H ILE A 5 5.006 -4.392 5.073 1.00 0.10 H new ATOM 0 HA ILE A 5 5.177 -7.369 5.458 1.00 0.10 H new ATOM 0 HB ILE A 5 5.671 -5.754 2.941 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.437 -5.124 3.622 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.316 -6.250 2.284 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.121 -7.895 1.833 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.493 -8.068 2.954 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.880 -8.653 3.425 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.654 -6.790 4.037 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.836 -8.111 3.877 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.958 -6.967 5.235 1.00 0.19 H new ATOM 94 N GLU A 6 7.681 -7.122 5.845 1.00 0.11 N ATOM 95 CA GLU A 6 9.167 -7.023 5.981 1.00 0.14 C ATOM 96 C GLU A 6 9.844 -8.112 5.144 1.00 0.14 C ATOM 97 O GLU A 6 11.051 -8.135 5.005 1.00 0.17 O ATOM 98 CB GLU A 6 9.533 -7.210 7.453 1.00 0.18 C ATOM 99 CG GLU A 6 8.636 -6.327 8.321 1.00 0.31 C ATOM 100 CD GLU A 6 9.079 -6.420 9.783 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.134 -6.981 10.028 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.356 -5.927 10.633 1.00 1.96 O ATOM 0 H GLU A 6 7.243 -7.844 6.417 1.00 0.11 H new ATOM 0 HA GLU A 6 9.505 -6.049 5.628 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.416 -8.256 7.737 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.580 -6.952 7.614 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.688 -5.293 7.980 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.597 -6.642 8.225 1.00 0.31 H new ATOM 109 N SER A 7 9.083 -9.015 4.582 1.00 0.13 N ATOM 110 CA SER A 7 9.698 -10.098 3.755 1.00 0.15 C ATOM 111 C SER A 7 8.695 -10.587 2.707 1.00 0.14 C ATOM 112 O SER A 7 7.496 -10.498 2.888 1.00 0.12 O ATOM 113 CB SER A 7 10.102 -11.262 4.663 1.00 0.20 C ATOM 114 OG SER A 7 9.070 -11.499 5.613 1.00 0.23 O ATOM 0 H SER A 7 8.067 -9.050 4.659 1.00 0.13 H new ATOM 0 HA SER A 7 10.580 -9.707 3.247 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.277 -12.158 4.068 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.037 -11.032 5.174 1.00 0.20 H new ATOM 0 HG SER A 7 9.326 -12.245 6.195 1.00 0.23 H new ATOM 120 N LYS A 8 9.181 -11.109 1.613 1.00 0.15 N ATOM 121 CA LYS A 8 8.270 -11.614 0.548 1.00 0.14 C ATOM 122 C LYS A 8 7.257 -12.585 1.161 1.00 0.14 C ATOM 123 O LYS A 8 6.161 -12.751 0.666 1.00 0.13 O ATOM 124 CB LYS A 8 9.099 -12.335 -0.523 1.00 0.17 C ATOM 125 CG LYS A 8 8.285 -12.459 -1.814 1.00 0.21 C ATOM 126 CD LYS A 8 9.006 -13.395 -2.787 1.00 0.22 C ATOM 127 CE LYS A 8 8.136 -13.608 -4.027 1.00 1.06 C ATOM 128 NZ LYS A 8 6.904 -14.353 -3.646 1.00 1.90 N ATOM 0 H LYS A 8 10.176 -11.207 1.411 1.00 0.15 H new ATOM 0 HA LYS A 8 7.736 -10.780 0.093 1.00 0.14 H new ATOM 0 HB2 LYS A 8 10.020 -11.784 -0.715 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.387 -13.324 -0.168 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.290 -12.844 -1.593 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.153 -11.477 -2.268 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.968 -12.969 -3.073 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.211 -14.351 -2.305 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.871 -12.647 -4.468 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.691 -14.164 -4.783 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.515 -14.832 -4.483 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.136 -15.060 -2.919 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.199 -13.688 -3.269 1.00 1.90 H new ATOM 142 N THR A 9 7.619 -13.230 2.232 1.00 0.16 N ATOM 143 CA THR A 9 6.681 -14.190 2.875 1.00 0.18 C ATOM 144 C THR A 9 5.408 -13.461 3.313 1.00 0.16 C ATOM 145 O THR A 9 4.306 -13.914 3.073 1.00 0.17 O ATOM 146 CB THR A 9 7.356 -14.811 4.093 1.00 0.21 C ATOM 147 OG1 THR A 9 8.653 -15.266 3.731 1.00 0.24 O ATOM 148 CG2 THR A 9 6.524 -15.989 4.604 1.00 0.25 C ATOM 0 H THR A 9 8.525 -13.134 2.691 1.00 0.16 H new ATOM 0 HA THR A 9 6.417 -14.970 2.161 1.00 0.18 H new ATOM 0 HB THR A 9 7.437 -14.063 4.882 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.090 -15.664 4.513 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.012 -16.428 5.474 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.530 -15.639 4.883 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.437 -16.740 3.819 1.00 0.25 H new ATOM 156 N ALA A 10 5.552 -12.342 3.963 1.00 0.16 N ATOM 157 CA ALA A 10 4.356 -11.587 4.430 1.00 0.17 C ATOM 158 C ALA A 10 3.607 -10.994 3.234 1.00 0.15 C ATOM 159 O ALA A 10 2.425 -10.723 3.305 1.00 0.17 O ATOM 160 CB ALA A 10 4.801 -10.460 5.363 1.00 0.20 C ATOM 0 H ALA A 10 6.450 -11.915 4.192 1.00 0.16 H new ATOM 0 HA ALA A 10 3.691 -12.266 4.963 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.928 -9.906 5.706 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.323 -10.883 6.221 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.470 -9.787 4.827 1.00 0.20 H new ATOM 166 N PHE A 11 4.281 -10.781 2.137 1.00 0.12 N ATOM 167 CA PHE A 11 3.596 -10.193 0.950 1.00 0.11 C ATOM 168 C PHE A 11 2.424 -11.079 0.526 1.00 0.13 C ATOM 169 O PHE A 11 1.280 -10.688 0.611 1.00 0.16 O ATOM 170 CB PHE A 11 4.587 -10.076 -0.215 1.00 0.10 C ATOM 171 CG PHE A 11 3.870 -9.560 -1.441 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.446 -8.219 -1.492 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.624 -10.416 -2.536 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.778 -7.731 -2.631 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.955 -9.928 -3.676 1.00 0.18 C ATOM 176 CZ PHE A 11 2.533 -8.585 -3.722 1.00 0.21 C ATOM 0 H PHE A 11 5.272 -10.987 2.011 1.00 0.12 H new ATOM 0 HA PHE A 11 3.222 -9.204 1.215 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.401 -9.402 0.053 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.034 -11.048 -0.425 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.634 -7.563 -0.655 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.949 -11.445 -2.500 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.454 -6.701 -2.667 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.766 -10.583 -4.514 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.021 -8.210 -4.596 1.00 0.21 H new ATOM 186 N GLN A 12 2.702 -12.264 0.063 1.00 0.15 N ATOM 187 CA GLN A 12 1.604 -13.172 -0.382 1.00 0.19 C ATOM 188 C GLN A 12 0.604 -13.368 0.763 1.00 0.17 C ATOM 189 O GLN A 12 -0.593 -13.319 0.566 1.00 0.16 O ATOM 190 CB GLN A 12 2.194 -14.540 -0.822 1.00 0.24 C ATOM 191 CG GLN A 12 3.665 -14.645 -0.398 1.00 1.21 C ATOM 192 CD GLN A 12 4.205 -16.034 -0.746 1.00 1.77 C ATOM 193 OE1 GLN A 12 5.395 -16.268 -0.680 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.378 -16.972 -1.119 1.00 2.47 N ATOM 0 H GLN A 12 3.643 -12.646 -0.028 1.00 0.15 H new ATOM 0 HA GLN A 12 1.088 -12.726 -1.232 1.00 0.19 H new ATOM 0 HB2 GLN A 12 1.621 -15.352 -0.375 1.00 0.24 H new ATOM 0 HB3 GLN A 12 2.111 -14.649 -1.903 1.00 0.24 H new ATOM 0 HG2 GLN A 12 4.254 -13.879 -0.902 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.758 -14.466 0.673 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.378 -16.778 -1.175 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.731 -17.899 -1.354 1.00 2.47 H new ATOM 203 N GLU A 13 1.086 -13.598 1.949 1.00 0.19 N ATOM 204 CA GLU A 13 0.166 -13.803 3.098 1.00 0.20 C ATOM 205 C GLU A 13 -0.727 -12.568 3.279 1.00 0.18 C ATOM 206 O GLU A 13 -1.886 -12.681 3.621 1.00 0.19 O ATOM 207 CB GLU A 13 0.993 -14.038 4.366 1.00 0.25 C ATOM 208 CG GLU A 13 1.503 -15.482 4.404 1.00 0.30 C ATOM 209 CD GLU A 13 2.229 -15.729 5.729 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.986 -14.863 6.137 1.00 2.10 O ATOM 211 OE2 GLU A 13 2.016 -16.779 6.313 1.00 2.03 O ATOM 0 H GLU A 13 2.080 -13.653 2.173 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.468 -14.670 2.909 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.835 -13.346 4.393 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.385 -13.836 5.248 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.670 -16.177 4.298 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.178 -15.663 3.567 1.00 0.30 H new ATOM 218 N ALA A 14 -0.204 -11.391 3.055 1.00 0.18 N ATOM 219 CA ALA A 14 -1.045 -10.170 3.224 1.00 0.18 C ATOM 220 C ALA A 14 -2.244 -10.247 2.269 1.00 0.18 C ATOM 221 O ALA A 14 -3.375 -10.024 2.652 1.00 0.19 O ATOM 222 CB ALA A 14 -0.209 -8.926 2.907 1.00 0.20 C ATOM 0 H ALA A 14 0.759 -11.223 2.765 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.403 -10.109 4.252 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.823 -8.034 3.030 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.642 -8.877 3.586 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.149 -8.981 1.879 1.00 0.20 H new ATOM 228 N LEU A 15 -1.995 -10.566 1.026 1.00 0.17 N ATOM 229 CA LEU A 15 -3.105 -10.667 0.029 1.00 0.18 C ATOM 230 C LEU A 15 -4.056 -11.802 0.427 1.00 0.18 C ATOM 231 O LEU A 15 -5.261 -11.672 0.346 1.00 0.18 O ATOM 232 CB LEU A 15 -2.514 -10.952 -1.360 1.00 0.19 C ATOM 233 CG LEU A 15 -1.238 -10.126 -1.564 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.737 -10.308 -3.001 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.532 -8.644 -1.308 1.00 0.62 C ATOM 0 H LEU A 15 -1.065 -10.762 0.655 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.659 -9.729 0.005 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.290 -12.014 -1.458 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.243 -10.707 -2.132 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.474 -10.466 -0.865 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.170 -9.721 -3.147 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.521 -11.361 -3.180 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.503 -9.971 -3.699 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.622 -8.062 -1.454 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.298 -8.300 -2.002 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.885 -8.515 -0.285 1.00 0.62 H new ATOM 247 N ASP A 16 -3.525 -12.914 0.853 1.00 0.19 N ATOM 248 CA ASP A 16 -4.398 -14.055 1.249 1.00 0.21 C ATOM 249 C ASP A 16 -5.242 -13.666 2.466 1.00 0.20 C ATOM 250 O ASP A 16 -6.409 -13.992 2.551 1.00 0.20 O ATOM 251 CB ASP A 16 -3.527 -15.263 1.598 1.00 0.24 C ATOM 252 CG ASP A 16 -4.419 -16.420 2.048 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.928 -16.354 3.155 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.577 -17.354 1.280 1.00 1.07 O ATOM 0 H ASP A 16 -2.523 -13.082 0.944 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.059 -14.307 0.420 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.936 -15.561 0.732 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.824 -15.002 2.389 1.00 0.24 H new ATOM 259 N ALA A 17 -4.663 -12.979 3.412 1.00 0.22 N ATOM 260 CA ALA A 17 -5.440 -12.578 4.620 1.00 0.24 C ATOM 261 C ALA A 17 -6.297 -11.351 4.297 1.00 0.21 C ATOM 262 O ALA A 17 -7.221 -11.022 5.013 1.00 0.22 O ATOM 263 CB ALA A 17 -4.474 -12.240 5.758 1.00 0.30 C ATOM 0 H ALA A 17 -3.688 -12.678 3.402 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.087 -13.401 4.923 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.041 -11.947 6.642 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.866 -13.114 5.991 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.826 -11.418 5.453 1.00 0.30 H new ATOM 269 N ALA A 18 -6.001 -10.672 3.221 1.00 0.21 N ATOM 270 CA ALA A 18 -6.803 -9.470 2.857 1.00 0.22 C ATOM 271 C ALA A 18 -8.212 -9.900 2.442 1.00 0.21 C ATOM 272 O ALA A 18 -9.074 -9.081 2.194 1.00 0.24 O ATOM 273 CB ALA A 18 -6.127 -8.734 1.698 1.00 0.23 C ATOM 0 H ALA A 18 -5.240 -10.898 2.580 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.868 -8.804 3.718 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.715 -7.855 1.433 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.126 -8.424 1.998 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.058 -9.398 0.836 1.00 0.23 H new ATOM 279 N GLY A 19 -8.455 -11.181 2.365 1.00 0.22 N ATOM 280 CA GLY A 19 -9.810 -11.660 1.967 1.00 0.24 C ATOM 281 C GLY A 19 -10.078 -11.288 0.507 1.00 0.20 C ATOM 282 O GLY A 19 -9.403 -11.750 -0.393 1.00 0.28 O ATOM 0 H GLY A 19 -7.775 -11.915 2.560 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.877 -12.740 2.096 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.568 -11.215 2.611 1.00 0.24 H new ATOM 286 N ASP A 20 -11.058 -10.454 0.266 1.00 0.13 N ATOM 287 CA ASP A 20 -11.382 -10.042 -1.137 1.00 0.18 C ATOM 288 C ASP A 20 -11.560 -8.523 -1.188 1.00 0.15 C ATOM 289 O ASP A 20 -11.913 -7.964 -2.207 1.00 0.22 O ATOM 290 CB ASP A 20 -12.681 -10.724 -1.580 1.00 0.26 C ATOM 291 CG ASP A 20 -12.630 -12.206 -1.206 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.554 -12.777 -1.273 1.00 2.21 O ATOM 293 OD2 ASP A 20 -13.669 -12.745 -0.859 1.00 2.19 O ATOM 0 H ASP A 20 -11.652 -10.038 0.984 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.571 -10.338 -1.803 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.537 -10.246 -1.102 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.814 -10.614 -2.656 1.00 0.26 H new ATOM 298 N LYS A 21 -11.308 -7.848 -0.099 1.00 0.12 N ATOM 299 CA LYS A 21 -11.454 -6.370 -0.095 1.00 0.19 C ATOM 300 C LYS A 21 -10.339 -5.760 -0.938 1.00 0.15 C ATOM 301 O LYS A 21 -9.386 -6.424 -1.296 1.00 0.15 O ATOM 302 CB LYS A 21 -11.344 -5.862 1.344 1.00 0.27 C ATOM 303 CG LYS A 21 -12.675 -6.078 2.064 1.00 0.29 C ATOM 304 CD LYS A 21 -12.494 -5.775 3.554 1.00 0.30 C ATOM 305 CE LYS A 21 -13.852 -5.498 4.202 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.656 -6.753 4.238 1.00 1.90 N ATOM 0 H LYS A 21 -11.008 -8.258 0.785 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.422 -6.087 -0.509 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.546 -6.389 1.867 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.084 -4.804 1.348 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.442 -5.430 1.639 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.014 -7.105 1.928 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.011 -6.618 4.049 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.839 -4.913 3.681 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.712 -5.115 5.213 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.384 -4.730 3.641 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.535 -6.587 4.768 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.887 -7.045 3.267 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -14.107 -7.504 4.704 1.00 1.90 H new ATOM 320 N LEU A 22 -10.440 -4.501 -1.254 1.00 0.13 N ATOM 321 CA LEU A 22 -9.376 -3.868 -2.065 1.00 0.11 C ATOM 322 C LEU A 22 -8.079 -3.895 -1.245 1.00 0.10 C ATOM 323 O LEU A 22 -8.107 -4.059 -0.041 1.00 0.11 O ATOM 324 CB LEU A 22 -9.786 -2.416 -2.395 1.00 0.12 C ATOM 325 CG LEU A 22 -9.489 -2.055 -3.866 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.812 -0.557 -4.100 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.012 -2.335 -4.200 1.00 0.11 C ATOM 0 H LEU A 22 -11.210 -3.889 -0.986 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.226 -4.402 -3.003 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.850 -2.285 -2.197 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.252 -1.730 -1.738 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.111 -2.668 -4.518 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.604 -0.298 -5.138 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.865 -0.374 -3.885 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.195 0.055 -3.442 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.819 -2.075 -5.241 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.372 -1.736 -3.552 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.798 -3.392 -4.044 1.00 0.11 H new ATOM 339 N VAL A 23 -6.947 -3.737 -1.878 1.00 0.08 N ATOM 340 CA VAL A 23 -5.656 -3.758 -1.129 1.00 0.09 C ATOM 341 C VAL A 23 -4.690 -2.754 -1.754 1.00 0.08 C ATOM 342 O VAL A 23 -4.181 -2.969 -2.833 1.00 0.09 O ATOM 343 CB VAL A 23 -5.048 -5.161 -1.212 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.876 -5.271 -0.233 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.117 -6.200 -0.860 1.00 0.10 C ATOM 0 H VAL A 23 -6.860 -3.594 -2.884 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.834 -3.494 -0.087 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.687 -5.343 -2.224 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.444 -6.270 -0.293 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.117 -4.532 -0.489 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.231 -5.090 0.781 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.686 -7.200 -0.919 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.480 -6.020 0.152 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.947 -6.121 -1.563 1.00 0.10 H new ATOM 355 N VAL A 24 -4.422 -1.663 -1.078 1.00 0.08 N ATOM 356 CA VAL A 24 -3.473 -0.641 -1.621 1.00 0.08 C ATOM 357 C VAL A 24 -2.140 -0.777 -0.889 1.00 0.08 C ATOM 358 O VAL A 24 -2.090 -0.850 0.324 1.00 0.08 O ATOM 359 CB VAL A 24 -4.051 0.766 -1.414 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.362 1.760 -2.360 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.561 0.745 -1.684 1.00 0.09 C ATOM 0 H VAL A 24 -4.822 -1.435 -0.168 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.323 -0.799 -2.689 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.874 1.080 -0.385 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.778 2.756 -2.207 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.292 1.778 -2.153 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.526 1.453 -3.393 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.971 1.744 -1.537 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.743 0.426 -2.710 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.044 0.050 -0.997 1.00 0.09 H new ATOM 371 N VAL A 25 -1.061 -0.825 -1.623 1.00 0.09 N ATOM 372 CA VAL A 25 0.291 -0.975 -0.998 1.00 0.09 C ATOM 373 C VAL A 25 1.059 0.334 -1.134 1.00 0.10 C ATOM 374 O VAL A 25 1.113 0.925 -2.195 1.00 0.17 O ATOM 375 CB VAL A 25 1.072 -2.077 -1.726 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.310 -2.451 -0.908 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.192 -3.318 -1.906 1.00 0.09 C ATOM 0 H VAL A 25 -1.056 -0.766 -2.641 1.00 0.09 H new ATOM 0 HA VAL A 25 0.173 -1.234 0.054 1.00 0.09 H new ATOM 0 HB VAL A 25 1.374 -1.707 -2.706 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.865 -3.234 -1.425 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.946 -1.574 -0.789 1.00 0.12 H new ATOM 0 HG13 VAL A 25 2.002 -2.812 0.073 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.757 -4.093 -2.424 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.120 -3.688 -0.929 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.689 -3.058 -2.493 1.00 0.09 H new ATOM 387 N ASP A 26 1.665 0.781 -0.069 1.00 0.08 N ATOM 388 CA ASP A 26 2.451 2.048 -0.116 1.00 0.08 C ATOM 389 C ASP A 26 3.941 1.709 -0.070 1.00 0.08 C ATOM 390 O ASP A 26 4.474 1.356 0.964 1.00 0.09 O ATOM 391 CB ASP A 26 2.085 2.912 1.091 1.00 0.09 C ATOM 392 CG ASP A 26 2.970 4.160 1.119 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.538 4.484 0.090 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.063 4.771 2.172 1.00 0.93 O ATOM 0 H ASP A 26 1.650 0.319 0.840 1.00 0.08 H new ATOM 0 HA ASP A 26 2.227 2.593 -1.033 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.035 3.200 1.039 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.214 2.342 2.011 1.00 0.09 H new ATOM 399 N PHE A 27 4.618 1.818 -1.178 1.00 0.08 N ATOM 400 CA PHE A 27 6.075 1.513 -1.200 1.00 0.09 C ATOM 401 C PHE A 27 6.823 2.788 -0.823 1.00 0.11 C ATOM 402 O PHE A 27 7.310 3.508 -1.674 1.00 0.13 O ATOM 403 CB PHE A 27 6.478 1.090 -2.614 1.00 0.10 C ATOM 404 CG PHE A 27 6.111 -0.357 -2.856 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.785 -0.713 -3.174 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.105 -1.350 -2.779 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.455 -2.064 -3.411 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.775 -2.698 -3.016 1.00 0.21 C ATOM 409 CZ PHE A 27 5.452 -3.055 -3.332 1.00 0.23 C ATOM 0 H PHE A 27 4.223 2.106 -2.073 1.00 0.08 H new ATOM 0 HA PHE A 27 6.312 0.709 -0.503 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.980 1.725 -3.346 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.551 1.227 -2.750 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.022 0.048 -3.236 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.122 -1.078 -2.538 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.439 -2.338 -3.653 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.539 -3.459 -2.955 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.201 -4.089 -3.514 1.00 0.23 H new ATOM 419 N SER A 28 6.896 3.076 0.451 1.00 0.11 N ATOM 420 CA SER A 28 7.589 4.314 0.922 1.00 0.12 C ATOM 421 C SER A 28 8.843 3.937 1.707 1.00 0.10 C ATOM 422 O SER A 28 8.890 2.920 2.371 1.00 0.11 O ATOM 423 CB SER A 28 6.644 5.090 1.836 1.00 0.17 C ATOM 424 OG SER A 28 5.487 5.471 1.104 1.00 1.03 O ATOM 0 H SER A 28 6.501 2.500 1.194 1.00 0.11 H new ATOM 0 HA SER A 28 7.870 4.924 0.063 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.361 4.476 2.691 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.146 5.974 2.230 1.00 0.17 H new ATOM 0 HG SER A 28 5.186 4.718 0.553 1.00 1.03 H new ATOM 430 N ALA A 29 9.854 4.760 1.652 1.00 0.10 N ATOM 431 CA ALA A 29 11.102 4.467 2.412 1.00 0.15 C ATOM 432 C ALA A 29 11.006 5.149 3.782 1.00 0.18 C ATOM 433 O ALA A 29 10.737 6.329 3.882 1.00 0.26 O ATOM 434 CB ALA A 29 12.303 5.008 1.624 1.00 0.19 C ATOM 0 H ALA A 29 9.869 5.625 1.112 1.00 0.10 H new ATOM 0 HA ALA A 29 11.229 3.394 2.552 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.222 4.799 2.172 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.345 4.525 0.648 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.197 6.085 1.492 1.00 0.19 H new ATOM 440 N THR A 30 11.207 4.409 4.836 1.00 0.18 N ATOM 441 CA THR A 30 11.112 5.008 6.197 1.00 0.23 C ATOM 442 C THR A 30 12.233 6.031 6.405 1.00 0.26 C ATOM 443 O THR A 30 12.111 6.940 7.202 1.00 0.31 O ATOM 444 CB THR A 30 11.234 3.900 7.247 1.00 0.26 C ATOM 445 OG1 THR A 30 11.098 4.463 8.544 1.00 0.32 O ATOM 446 CG2 THR A 30 12.597 3.220 7.125 1.00 0.28 C ATOM 0 H THR A 30 11.433 3.415 4.814 1.00 0.18 H new ATOM 0 HA THR A 30 10.150 5.511 6.298 1.00 0.23 H new ATOM 0 HB THR A 30 10.449 3.161 7.085 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.174 3.755 9.217 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.679 2.432 7.874 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.700 2.787 6.130 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.386 3.955 7.284 1.00 0.28 H new ATOM 454 N TRP A 31 13.326 5.887 5.705 1.00 0.26 N ATOM 455 CA TRP A 31 14.460 6.847 5.878 1.00 0.32 C ATOM 456 C TRP A 31 14.303 8.028 4.917 1.00 0.32 C ATOM 457 O TRP A 31 14.997 9.020 5.023 1.00 0.36 O ATOM 458 CB TRP A 31 15.782 6.122 5.588 1.00 0.34 C ATOM 459 CG TRP A 31 15.881 5.791 4.132 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.522 4.610 3.575 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.368 6.625 3.046 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.748 4.671 2.210 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.267 5.891 1.833 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.880 7.941 2.991 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.661 6.446 0.607 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.278 8.503 1.763 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.167 7.757 0.571 1.00 0.40 C ATOM 0 H TRP A 31 13.485 5.147 5.021 1.00 0.26 H new ATOM 0 HA TRP A 31 14.460 7.223 6.901 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.622 6.750 5.884 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.842 5.209 6.181 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.124 3.759 4.108 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.554 3.907 1.563 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.967 8.520 3.898 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.576 5.870 -0.303 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.670 9.509 1.734 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.471 8.193 -0.369 1.00 0.40 H new ATOM 478 N CYS A 32 13.409 7.928 3.972 1.00 0.28 N ATOM 479 CA CYS A 32 13.222 9.038 2.990 1.00 0.30 C ATOM 480 C CYS A 32 12.088 9.957 3.451 1.00 0.31 C ATOM 481 O CYS A 32 10.995 9.522 3.753 1.00 0.29 O ATOM 482 CB CYS A 32 12.904 8.422 1.625 1.00 0.28 C ATOM 483 SG CYS A 32 13.370 9.567 0.303 1.00 0.32 S ATOM 0 H CYS A 32 12.797 7.123 3.836 1.00 0.28 H new ATOM 0 HA CYS A 32 14.129 9.638 2.916 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.441 7.481 1.508 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.840 8.192 1.560 1.00 0.28 H new ATOM 488 N GLY A 33 12.356 11.231 3.509 1.00 0.34 N ATOM 489 CA GLY A 33 11.327 12.209 3.950 1.00 0.36 C ATOM 490 C GLY A 33 10.173 12.294 2.939 1.00 0.35 C ATOM 491 O GLY A 33 9.042 12.062 3.302 1.00 0.33 O ATOM 0 H GLY A 33 13.258 11.641 3.266 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.939 11.917 4.926 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.783 13.192 4.069 1.00 0.36 H new ATOM 495 N PRO A 34 10.482 12.645 1.705 1.00 0.37 N ATOM 496 CA PRO A 34 9.452 12.798 0.655 1.00 0.38 C ATOM 497 C PRO A 34 8.492 11.604 0.643 1.00 0.35 C ATOM 498 O PRO A 34 7.328 11.741 0.327 1.00 0.36 O ATOM 499 CB PRO A 34 10.252 12.908 -0.663 1.00 0.42 C ATOM 500 CG PRO A 34 11.736 13.158 -0.271 1.00 0.44 C ATOM 501 CD PRO A 34 11.866 12.896 1.246 1.00 0.40 C ATOM 0 HA PRO A 34 8.820 13.671 0.817 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.156 11.995 -1.250 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.872 13.724 -1.278 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.397 12.498 -0.832 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.029 14.180 -0.510 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.511 12.040 1.446 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.304 13.752 1.759 1.00 0.40 H new ATOM 509 N ALA A 35 8.961 10.442 0.987 1.00 0.33 N ATOM 510 CA ALA A 35 8.062 9.258 0.997 1.00 0.32 C ATOM 511 C ALA A 35 7.206 9.299 2.269 1.00 0.39 C ATOM 512 O ALA A 35 5.994 9.377 2.216 1.00 0.81 O ATOM 513 CB ALA A 35 8.910 7.985 0.967 1.00 0.36 C ATOM 0 H ALA A 35 9.926 10.259 1.262 1.00 0.33 H new ATOM 0 HA ALA A 35 7.409 9.268 0.124 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.257 7.112 0.974 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.519 7.975 0.063 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.559 7.959 1.842 1.00 0.36 H new ATOM 519 N LYS A 36 7.835 9.254 3.408 1.00 0.30 N ATOM 520 CA LYS A 36 7.086 9.297 4.698 1.00 0.28 C ATOM 521 C LYS A 36 6.278 10.596 4.794 1.00 0.24 C ATOM 522 O LYS A 36 5.374 10.717 5.597 1.00 0.25 O ATOM 523 CB LYS A 36 8.098 9.238 5.849 1.00 0.35 C ATOM 524 CG LYS A 36 7.394 9.488 7.188 1.00 0.38 C ATOM 525 CD LYS A 36 8.307 9.051 8.339 1.00 0.49 C ATOM 526 CE LYS A 36 7.650 9.399 9.677 1.00 1.22 C ATOM 527 NZ LYS A 36 7.560 10.879 9.822 1.00 1.92 N ATOM 0 H LYS A 36 8.848 9.188 3.504 1.00 0.30 H new ATOM 0 HA LYS A 36 6.399 8.453 4.754 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.587 8.264 5.863 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.878 9.984 5.695 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.146 10.545 7.288 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.455 8.935 7.225 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.493 7.978 8.282 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.274 9.547 8.258 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.655 8.957 9.730 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.230 8.978 10.498 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.987 11.166 10.726 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.069 11.336 9.039 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.562 11.170 9.803 1.00 1.92 H new ATOM 541 N MET A 37 6.604 11.575 3.998 1.00 0.23 N ATOM 542 CA MET A 37 5.864 12.865 4.065 1.00 0.24 C ATOM 543 C MET A 37 4.372 12.632 3.800 1.00 0.20 C ATOM 544 O MET A 37 3.530 13.370 4.273 1.00 0.20 O ATOM 545 CB MET A 37 6.439 13.834 3.010 1.00 0.29 C ATOM 546 CG MET A 37 6.162 15.295 3.392 1.00 1.31 C ATOM 547 SD MET A 37 4.415 15.677 3.124 1.00 2.12 S ATOM 548 CE MET A 37 4.449 17.355 3.805 1.00 3.13 C ATOM 0 H MET A 37 7.351 11.538 3.304 1.00 0.23 H new ATOM 0 HA MET A 37 5.978 13.296 5.060 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.513 13.677 2.915 1.00 0.29 H new ATOM 0 HB3 MET A 37 5.998 13.620 2.036 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.425 15.464 4.436 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.785 15.961 2.795 1.00 1.31 H new ATOM 0 HE1 MET A 37 3.453 17.794 3.741 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.763 17.318 4.848 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.151 17.964 3.236 1.00 3.13 H new ATOM 558 N ILE A 38 4.036 11.621 3.036 1.00 0.18 N ATOM 559 CA ILE A 38 2.596 11.357 2.721 1.00 0.15 C ATOM 560 C ILE A 38 2.005 10.309 3.664 1.00 0.16 C ATOM 561 O ILE A 38 0.882 9.879 3.495 1.00 0.16 O ATOM 562 CB ILE A 38 2.474 10.860 1.280 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.000 11.952 0.340 1.00 0.17 C ATOM 564 CG2 ILE A 38 0.998 10.551 0.953 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.180 11.399 -1.093 1.00 0.28 C ATOM 0 H ILE A 38 4.697 10.967 2.617 1.00 0.18 H new ATOM 0 HA ILE A 38 2.044 12.288 2.849 1.00 0.15 H new ATOM 0 HB ILE A 38 3.056 9.947 1.152 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.306 12.792 0.326 1.00 0.17 H new ATOM 0 HG13 ILE A 38 3.952 12.331 0.711 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.919 10.198 -0.075 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.629 9.781 1.631 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.402 11.456 1.072 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.554 12.189 -1.744 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.892 10.574 -1.078 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.221 11.043 -1.469 1.00 0.28 H new ATOM 577 N LYS A 39 2.720 9.902 4.675 1.00 0.19 N ATOM 578 CA LYS A 39 2.129 8.895 5.585 1.00 0.22 C ATOM 579 C LYS A 39 0.853 9.422 6.276 1.00 0.20 C ATOM 580 O LYS A 39 -0.039 8.643 6.519 1.00 0.21 O ATOM 581 CB LYS A 39 3.161 8.377 6.632 1.00 0.31 C ATOM 582 CG LYS A 39 3.313 9.325 7.844 1.00 0.34 C ATOM 583 CD LYS A 39 3.904 8.577 9.047 1.00 0.45 C ATOM 584 CE LYS A 39 2.890 7.587 9.643 1.00 1.16 C ATOM 585 NZ LYS A 39 3.113 6.248 9.033 1.00 1.62 N ATOM 0 H LYS A 39 3.663 10.216 4.904 1.00 0.19 H new ATOM 0 HA LYS A 39 1.840 8.047 4.964 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.852 7.392 6.983 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.130 8.254 6.149 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.957 10.163 7.578 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.342 9.742 8.110 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.801 8.040 8.739 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.207 9.294 9.810 1.00 0.45 H new ATOM 0 HE2 LYS A 39 3.007 7.533 10.725 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.872 7.926 9.448 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.267 5.965 8.498 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.930 6.291 8.391 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.298 5.551 9.783 1.00 1.62 H new ATOM 599 N PRO A 40 0.770 10.704 6.625 1.00 0.20 N ATOM 600 CA PRO A 40 -0.424 11.183 7.344 1.00 0.21 C ATOM 601 C PRO A 40 -1.682 10.988 6.499 1.00 0.17 C ATOM 602 O PRO A 40 -2.779 11.227 6.958 1.00 0.20 O ATOM 603 CB PRO A 40 -0.162 12.669 7.637 1.00 0.24 C ATOM 604 CG PRO A 40 1.256 13.009 7.100 1.00 0.25 C ATOM 605 CD PRO A 40 1.773 11.773 6.338 1.00 0.21 C ATOM 0 HA PRO A 40 -0.594 10.626 8.265 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.914 13.293 7.155 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.224 12.865 8.707 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.218 13.877 6.442 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.927 13.261 7.922 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.847 11.970 5.268 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.767 11.485 6.679 1.00 0.21 H new ATOM 613 N PHE A 41 -1.532 10.565 5.275 1.00 0.14 N ATOM 614 CA PHE A 41 -2.721 10.352 4.395 1.00 0.14 C ATOM 615 C PHE A 41 -2.920 8.853 4.183 1.00 0.11 C ATOM 616 O PHE A 41 -3.837 8.266 4.705 1.00 0.13 O ATOM 617 CB PHE A 41 -2.478 11.035 3.050 1.00 0.15 C ATOM 618 CG PHE A 41 -2.762 12.511 3.177 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.759 13.383 3.637 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.034 13.011 2.838 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.029 14.760 3.759 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.305 14.387 2.958 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.301 15.262 3.418 1.00 0.27 C ATOM 0 H PHE A 41 -0.633 10.356 4.842 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.611 10.776 4.860 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.447 10.878 2.731 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.118 10.595 2.286 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.784 12.998 3.896 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.802 12.338 2.486 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.261 15.431 4.114 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.280 14.771 2.698 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.506 16.318 3.509 1.00 0.27 H new ATOM 633 N PHE A 42 -2.064 8.239 3.419 1.00 0.10 N ATOM 634 CA PHE A 42 -2.200 6.779 3.155 1.00 0.11 C ATOM 635 C PHE A 42 -2.465 6.020 4.458 1.00 0.11 C ATOM 636 O PHE A 42 -3.448 5.319 4.590 1.00 0.12 O ATOM 637 CB PHE A 42 -0.906 6.269 2.523 1.00 0.13 C ATOM 638 CG PHE A 42 -0.988 4.776 2.342 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.696 4.249 1.251 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.351 3.911 3.257 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.772 2.859 1.068 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.430 2.516 3.074 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.140 1.990 1.978 1.00 0.10 C ATOM 0 H PHE A 42 -1.270 8.687 2.962 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.040 6.614 2.480 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.743 6.754 1.560 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.055 6.523 3.156 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.183 4.913 0.552 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.196 4.317 4.095 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.317 2.455 0.227 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.054 1.851 3.774 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.200 0.921 1.835 1.00 0.10 H new ATOM 653 N HIS A 43 -1.592 6.143 5.414 1.00 0.14 N ATOM 654 CA HIS A 43 -1.789 5.418 6.700 1.00 0.16 C ATOM 655 C HIS A 43 -3.037 5.959 7.416 1.00 0.16 C ATOM 656 O HIS A 43 -3.707 5.237 8.128 1.00 0.18 O ATOM 657 CB HIS A 43 -0.520 5.582 7.565 1.00 0.21 C ATOM 658 CG HIS A 43 -0.844 5.466 9.031 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.695 4.282 9.733 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.345 6.377 9.927 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.105 4.508 10.995 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.512 5.769 11.166 1.00 0.39 N ATOM 0 H HIS A 43 -0.749 6.715 5.362 1.00 0.14 H new ATOM 0 HA HIS A 43 -1.949 4.355 6.517 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.212 4.822 7.290 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.063 6.552 7.366 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.574 7.408 9.704 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.105 3.761 11.775 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.869 6.194 12.022 1.00 0.39 H new ATOM 670 N SER A 44 -3.357 7.209 7.238 1.00 0.20 N ATOM 671 CA SER A 44 -4.565 7.765 7.917 1.00 0.25 C ATOM 672 C SER A 44 -5.826 7.061 7.393 1.00 0.20 C ATOM 673 O SER A 44 -6.718 6.734 8.149 1.00 0.21 O ATOM 674 CB SER A 44 -4.662 9.269 7.651 1.00 0.34 C ATOM 675 OG SER A 44 -3.863 9.958 8.604 1.00 0.97 O ATOM 0 H SER A 44 -2.840 7.868 6.656 1.00 0.20 H new ATOM 0 HA SER A 44 -4.482 7.597 8.991 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.323 9.496 6.640 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.699 9.598 7.720 1.00 0.34 H new ATOM 0 HG SER A 44 -3.472 10.754 8.188 1.00 0.97 H new ATOM 681 N LEU A 45 -5.910 6.835 6.108 1.00 0.18 N ATOM 682 CA LEU A 45 -7.119 6.161 5.548 1.00 0.18 C ATOM 683 C LEU A 45 -7.407 4.889 6.348 1.00 0.16 C ATOM 684 O LEU A 45 -8.470 4.311 6.250 1.00 0.23 O ATOM 685 CB LEU A 45 -6.875 5.793 4.078 1.00 0.19 C ATOM 686 CG LEU A 45 -6.514 7.042 3.260 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.333 6.642 1.791 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.624 8.101 3.387 1.00 0.50 C ATOM 0 H LEU A 45 -5.196 7.087 5.424 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.971 6.838 5.613 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.070 5.062 4.010 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.767 5.325 3.662 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.586 7.469 3.640 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.076 7.523 1.203 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.533 5.906 1.710 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.261 6.212 1.414 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.356 8.981 2.803 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.563 7.691 3.015 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.741 8.382 4.434 1.00 0.50 H new ATOM 700 N SER A 46 -6.472 4.451 7.140 1.00 0.20 N ATOM 701 CA SER A 46 -6.700 3.221 7.948 1.00 0.25 C ATOM 702 C SER A 46 -7.943 3.403 8.823 1.00 0.17 C ATOM 703 O SER A 46 -8.672 2.467 9.083 1.00 0.15 O ATOM 704 CB SER A 46 -5.485 2.977 8.841 1.00 0.36 C ATOM 705 OG SER A 46 -4.324 2.858 8.030 1.00 0.51 O ATOM 0 H SER A 46 -5.560 4.890 7.264 1.00 0.20 H new ATOM 0 HA SER A 46 -6.848 2.370 7.283 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.367 3.799 9.547 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.627 2.070 9.429 1.00 0.36 H new ATOM 0 HG SER A 46 -4.030 3.749 7.748 1.00 0.51 H new ATOM 711 N GLU A 47 -8.181 4.601 9.294 1.00 0.21 N ATOM 712 CA GLU A 47 -9.369 4.849 10.171 1.00 0.21 C ATOM 713 C GLU A 47 -10.553 5.354 9.340 1.00 0.18 C ATOM 714 O GLU A 47 -11.681 5.339 9.790 1.00 0.18 O ATOM 715 CB GLU A 47 -9.010 5.907 11.221 1.00 0.32 C ATOM 716 CG GLU A 47 -7.691 5.536 11.903 1.00 0.39 C ATOM 717 CD GLU A 47 -7.860 4.216 12.657 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.989 3.874 12.967 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.857 3.571 12.914 1.00 2.00 O ATOM 0 H GLU A 47 -7.603 5.421 9.109 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.648 3.914 10.656 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -8.923 6.886 10.749 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.805 5.980 11.963 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -6.899 5.444 11.160 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.391 6.325 12.593 1.00 0.39 H new ATOM 726 N LYS A 48 -10.313 5.814 8.140 1.00 0.18 N ATOM 727 CA LYS A 48 -11.439 6.331 7.301 1.00 0.17 C ATOM 728 C LYS A 48 -12.035 5.191 6.473 1.00 0.15 C ATOM 729 O LYS A 48 -13.239 5.078 6.339 1.00 0.18 O ATOM 730 CB LYS A 48 -10.919 7.431 6.366 1.00 0.21 C ATOM 731 CG LYS A 48 -12.100 8.241 5.819 1.00 0.26 C ATOM 732 CD LYS A 48 -11.587 9.418 4.984 1.00 1.09 C ATOM 733 CE LYS A 48 -12.731 10.403 4.736 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.243 11.536 3.900 1.00 2.16 N ATOM 0 H LYS A 48 -9.391 5.855 7.705 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.212 6.743 7.950 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.234 8.086 6.904 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.357 6.988 5.544 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.738 7.602 5.208 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.712 8.608 6.643 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.769 9.917 5.503 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.190 9.059 4.035 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.557 9.898 4.235 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.114 10.777 5.685 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.022 12.204 3.732 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.469 12.024 4.394 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.898 11.172 2.989 1.00 2.16 H new ATOM 748 N TYR A 49 -11.203 4.345 5.916 1.00 0.13 N ATOM 749 CA TYR A 49 -11.707 3.202 5.089 1.00 0.13 C ATOM 750 C TYR A 49 -11.396 1.886 5.801 1.00 0.11 C ATOM 751 O TYR A 49 -10.562 1.114 5.371 1.00 0.11 O ATOM 752 CB TYR A 49 -11.014 3.222 3.720 1.00 0.15 C ATOM 753 CG TYR A 49 -11.663 4.269 2.848 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.913 4.005 2.261 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.029 5.509 2.633 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.531 4.976 1.454 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.647 6.484 1.830 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.900 6.218 1.238 1.00 0.21 C ATOM 759 OH TYR A 49 -13.509 7.172 0.451 1.00 0.24 O ATOM 0 H TYR A 49 -10.188 4.397 5.999 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.784 3.295 4.952 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.953 3.439 3.840 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.088 2.242 3.248 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.399 3.055 2.430 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.069 5.710 3.085 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.489 4.771 1.000 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.163 7.436 1.667 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.942 7.970 0.406 1.00 0.24 H new ATOM 769 N SER A 50 -12.070 1.621 6.885 1.00 0.12 N ATOM 770 CA SER A 50 -11.826 0.353 7.623 1.00 0.13 C ATOM 771 C SER A 50 -12.293 -0.820 6.758 1.00 0.13 C ATOM 772 O SER A 50 -12.120 -1.971 7.106 1.00 0.14 O ATOM 773 CB SER A 50 -12.614 0.369 8.932 1.00 0.16 C ATOM 774 OG SER A 50 -14.005 0.413 8.644 1.00 0.17 O ATOM 0 H SER A 50 -12.780 2.230 7.292 1.00 0.12 H new ATOM 0 HA SER A 50 -10.764 0.249 7.844 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.381 -0.518 9.521 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.328 1.233 9.531 1.00 0.16 H new ATOM 0 HG SER A 50 -14.513 0.422 9.482 1.00 0.17 H new ATOM 780 N ASN A 51 -12.891 -0.530 5.631 1.00 0.13 N ATOM 781 CA ASN A 51 -13.383 -1.612 4.727 1.00 0.15 C ATOM 782 C ASN A 51 -12.332 -1.906 3.658 1.00 0.13 C ATOM 783 O ASN A 51 -12.526 -2.743 2.798 1.00 0.14 O ATOM 784 CB ASN A 51 -14.676 -1.151 4.054 1.00 0.17 C ATOM 785 CG ASN A 51 -15.231 -2.282 3.187 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.808 -2.464 2.063 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.167 -3.057 3.664 1.00 0.32 N ATOM 0 H ASN A 51 -13.061 0.418 5.296 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.569 -2.516 5.307 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.409 -0.864 4.808 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.486 -0.269 3.442 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.542 -3.814 3.093 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.523 -2.905 4.608 1.00 0.32 H new ATOM 794 N VAL A 52 -11.215 -1.222 3.711 1.00 0.11 N ATOM 795 CA VAL A 52 -10.124 -1.444 2.708 1.00 0.10 C ATOM 796 C VAL A 52 -8.871 -1.916 3.441 1.00 0.10 C ATOM 797 O VAL A 52 -8.654 -1.588 4.591 1.00 0.11 O ATOM 798 CB VAL A 52 -9.820 -0.130 1.992 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.666 -0.334 1.000 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.073 0.343 1.249 1.00 0.12 C ATOM 0 H VAL A 52 -11.010 -0.512 4.414 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.436 -2.192 1.980 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.527 0.625 2.722 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.453 0.606 0.492 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.778 -0.665 1.538 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.947 -1.088 0.265 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.860 1.281 0.737 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.369 -0.410 0.519 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.883 0.495 1.962 1.00 0.12 H new ATOM 810 N ILE A 53 -8.044 -2.688 2.787 1.00 0.09 N ATOM 811 CA ILE A 53 -6.796 -3.192 3.440 1.00 0.09 C ATOM 812 C ILE A 53 -5.606 -2.345 2.967 1.00 0.09 C ATOM 813 O ILE A 53 -5.375 -2.187 1.785 1.00 0.14 O ATOM 814 CB ILE A 53 -6.578 -4.656 3.035 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.919 -5.423 3.048 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.557 -5.324 3.972 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.690 -5.229 4.368 1.00 0.17 C ATOM 0 H ILE A 53 -8.179 -2.994 1.823 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.885 -3.122 4.524 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.179 -4.683 2.021 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.537 -5.085 2.216 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.729 -6.485 2.893 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.413 -6.362 3.672 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.607 -4.794 3.912 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.927 -5.290 4.997 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.625 -5.787 4.329 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.085 -5.592 5.199 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.905 -4.170 4.511 1.00 0.17 H new ATOM 829 N PHE A 54 -4.850 -1.803 3.888 1.00 0.08 N ATOM 830 CA PHE A 54 -3.665 -0.962 3.521 1.00 0.08 C ATOM 831 C PHE A 54 -2.394 -1.695 3.929 1.00 0.08 C ATOM 832 O PHE A 54 -2.263 -2.151 5.049 1.00 0.11 O ATOM 833 CB PHE A 54 -3.738 0.366 4.270 1.00 0.08 C ATOM 834 CG PHE A 54 -4.893 1.171 3.734 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.813 1.720 2.443 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.047 1.376 4.519 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.884 2.475 1.931 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.118 2.133 4.007 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.036 2.683 2.712 1.00 0.09 C ATOM 0 H PHE A 54 -5.004 -1.907 4.891 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.661 -0.777 2.447 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.866 0.189 5.338 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.806 0.918 4.148 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.929 1.562 1.843 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.109 0.953 5.511 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.822 2.895 0.938 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.002 2.292 4.606 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.857 3.264 2.319 1.00 0.09 H new ATOM 849 N LEU A 55 -1.461 -1.822 3.028 1.00 0.08 N ATOM 850 CA LEU A 55 -0.186 -2.537 3.340 1.00 0.09 C ATOM 851 C LEU A 55 0.963 -1.526 3.316 1.00 0.09 C ATOM 852 O LEU A 55 0.795 -0.385 2.931 1.00 0.10 O ATOM 853 CB LEU A 55 0.059 -3.616 2.272 1.00 0.10 C ATOM 854 CG LEU A 55 -0.759 -4.888 2.566 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.233 -4.548 2.833 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.665 -5.826 1.355 1.00 0.12 C ATOM 0 H LEU A 55 -1.525 -1.458 2.077 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.247 -3.005 4.323 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.210 -3.227 1.290 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.120 -3.863 2.238 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.353 -5.369 3.456 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.787 -5.464 3.037 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.303 -3.882 3.693 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.657 -4.056 1.958 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.240 -6.731 1.550 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -1.066 -5.324 0.474 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.378 -6.090 1.179 1.00 0.12 H new ATOM 868 N GLU A 56 2.132 -1.940 3.719 1.00 0.09 N ATOM 869 CA GLU A 56 3.308 -1.021 3.718 1.00 0.09 C ATOM 870 C GLU A 56 4.542 -1.841 3.345 1.00 0.09 C ATOM 871 O GLU A 56 4.666 -2.992 3.720 1.00 0.10 O ATOM 872 CB GLU A 56 3.468 -0.399 5.118 1.00 0.09 C ATOM 873 CG GLU A 56 4.209 0.944 5.029 1.00 0.11 C ATOM 874 CD GLU A 56 4.117 1.670 6.375 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.288 1.281 7.181 1.00 1.31 O ATOM 876 OE2 GLU A 56 4.874 2.607 6.573 1.00 1.24 O ATOM 0 H GLU A 56 2.326 -2.884 4.052 1.00 0.09 H new ATOM 0 HA GLU A 56 3.174 -0.212 2.999 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.488 -0.251 5.571 1.00 0.09 H new ATOM 0 HB3 GLU A 56 4.018 -1.082 5.765 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.253 0.778 4.764 1.00 0.11 H new ATOM 0 HG3 GLU A 56 3.774 1.560 4.242 1.00 0.11 H new ATOM 883 N VAL A 57 5.438 -1.275 2.580 1.00 0.08 N ATOM 884 CA VAL A 57 6.649 -2.038 2.147 1.00 0.08 C ATOM 885 C VAL A 57 7.887 -1.140 2.204 1.00 0.09 C ATOM 886 O VAL A 57 7.864 0.002 1.779 1.00 0.14 O ATOM 887 CB VAL A 57 6.448 -2.514 0.703 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.718 -3.217 0.216 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.271 -3.492 0.626 1.00 0.09 C ATOM 0 H VAL A 57 5.385 -0.316 2.235 1.00 0.08 H new ATOM 0 HA VAL A 57 6.792 -2.889 2.812 1.00 0.08 H new ATOM 0 HB VAL A 57 6.237 -1.650 0.073 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.576 -3.556 -0.810 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.557 -2.522 0.256 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.927 -4.075 0.855 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.139 -3.822 -0.404 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.473 -4.355 1.261 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.363 -2.996 0.967 1.00 0.09 H new ATOM 899 N ASP A 58 8.974 -1.664 2.712 1.00 0.09 N ATOM 900 CA ASP A 58 10.244 -0.880 2.789 1.00 0.09 C ATOM 901 C ASP A 58 11.125 -1.293 1.607 1.00 0.10 C ATOM 902 O ASP A 58 11.628 -2.398 1.551 1.00 0.11 O ATOM 903 CB ASP A 58 10.958 -1.196 4.108 1.00 0.11 C ATOM 904 CG ASP A 58 11.973 -0.095 4.426 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.576 0.895 5.020 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.128 -0.261 4.074 1.00 1.08 O ATOM 0 H ASP A 58 9.036 -2.613 3.081 1.00 0.09 H new ATOM 0 HA ASP A 58 10.039 0.190 2.749 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.230 -1.277 4.916 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.463 -2.159 4.037 1.00 0.11 H new ATOM 911 N VAL A 59 11.292 -0.426 0.654 1.00 0.12 N ATOM 912 CA VAL A 59 12.110 -0.773 -0.543 1.00 0.15 C ATOM 913 C VAL A 59 13.571 -1.032 -0.157 1.00 0.18 C ATOM 914 O VAL A 59 14.339 -1.540 -0.948 1.00 0.27 O ATOM 915 CB VAL A 59 12.046 0.388 -1.539 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.622 0.504 -2.095 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.423 1.697 -0.832 1.00 0.22 C ATOM 0 H VAL A 59 10.896 0.514 0.649 1.00 0.12 H new ATOM 0 HA VAL A 59 11.709 -1.683 -0.990 1.00 0.15 H new ATOM 0 HB VAL A 59 12.745 0.202 -2.355 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.575 1.330 -2.804 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.352 -0.424 -2.600 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.926 0.688 -1.277 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.376 2.521 -1.544 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.726 1.883 -0.015 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.435 1.617 -0.435 1.00 0.22 H new ATOM 927 N ASP A 60 13.969 -0.679 1.040 1.00 0.16 N ATOM 928 CA ASP A 60 15.395 -0.886 1.453 1.00 0.18 C ATOM 929 C ASP A 60 15.537 -2.133 2.332 1.00 0.17 C ATOM 930 O ASP A 60 16.489 -2.878 2.207 1.00 0.18 O ATOM 931 CB ASP A 60 15.862 0.337 2.240 1.00 0.21 C ATOM 932 CG ASP A 60 15.738 1.585 1.366 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.620 1.804 0.552 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.763 2.301 1.524 1.00 1.11 O ATOM 0 H ASP A 60 13.370 -0.257 1.750 1.00 0.16 H new ATOM 0 HA ASP A 60 16.003 -1.023 0.559 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.263 0.452 3.143 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.896 0.204 2.558 1.00 0.21 H new ATOM 939 N ASP A 61 14.614 -2.365 3.226 1.00 0.17 N ATOM 940 CA ASP A 61 14.714 -3.564 4.117 1.00 0.17 C ATOM 941 C ASP A 61 13.930 -4.726 3.493 1.00 0.16 C ATOM 942 O ASP A 61 14.089 -5.866 3.883 1.00 0.18 O ATOM 943 CB ASP A 61 14.150 -3.210 5.506 1.00 0.19 C ATOM 944 CG ASP A 61 13.770 -4.483 6.273 1.00 0.22 C ATOM 945 OD1 ASP A 61 14.568 -5.407 6.276 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.689 -4.513 6.833 1.00 1.12 O ATOM 0 H ASP A 61 13.794 -1.778 3.380 1.00 0.17 H new ATOM 0 HA ASP A 61 15.756 -3.866 4.227 1.00 0.17 H new ATOM 0 HB2 ASP A 61 14.890 -2.645 6.072 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.275 -2.569 5.397 1.00 0.19 H new ATOM 951 N ALA A 62 13.095 -4.444 2.523 1.00 0.16 N ATOM 952 CA ALA A 62 12.300 -5.526 1.854 1.00 0.16 C ATOM 953 C ALA A 62 12.551 -5.460 0.346 1.00 0.16 C ATOM 954 O ALA A 62 11.639 -5.547 -0.454 1.00 0.15 O ATOM 955 CB ALA A 62 10.810 -5.320 2.139 1.00 0.17 C ATOM 0 H ALA A 62 12.928 -3.505 2.162 1.00 0.16 H new ATOM 0 HA ALA A 62 12.603 -6.501 2.237 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.234 -6.107 1.652 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.637 -5.356 3.215 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.497 -4.350 1.754 1.00 0.17 H new ATOM 961 N GLN A 63 13.787 -5.301 -0.046 1.00 0.20 N ATOM 962 CA GLN A 63 14.114 -5.219 -1.498 1.00 0.22 C ATOM 963 C GLN A 63 13.581 -6.457 -2.224 1.00 0.20 C ATOM 964 O GLN A 63 13.493 -6.483 -3.436 1.00 0.20 O ATOM 965 CB GLN A 63 15.634 -5.126 -1.682 1.00 0.29 C ATOM 966 CG GLN A 63 16.335 -6.148 -0.781 1.00 0.90 C ATOM 967 CD GLN A 63 17.849 -6.049 -0.980 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.327 -6.018 -2.097 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.631 -5.998 0.064 1.00 2.22 N ATOM 0 H GLN A 63 14.588 -5.224 0.581 1.00 0.20 H new ATOM 0 HA GLN A 63 13.645 -4.330 -1.919 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.894 -5.309 -2.725 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.977 -4.120 -1.440 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.082 -5.963 0.263 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.991 -7.155 -1.019 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.232 -6.024 1.002 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.641 -5.932 -0.058 1.00 2.22 H new ATOM 978 N ASP A 64 13.217 -7.481 -1.501 1.00 0.19 N ATOM 979 CA ASP A 64 12.689 -8.701 -2.169 1.00 0.20 C ATOM 980 C ASP A 64 11.309 -8.388 -2.754 1.00 0.17 C ATOM 981 O ASP A 64 10.969 -8.827 -3.834 1.00 0.19 O ATOM 982 CB ASP A 64 12.580 -9.836 -1.146 1.00 0.22 C ATOM 983 CG ASP A 64 12.053 -9.283 0.179 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.820 -8.645 0.879 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.890 -9.510 0.472 1.00 1.09 O ATOM 0 H ASP A 64 13.262 -7.525 -0.483 1.00 0.19 H new ATOM 0 HA ASP A 64 13.362 -9.010 -2.969 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.912 -10.613 -1.519 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.555 -10.299 -0.996 1.00 0.22 H new ATOM 990 N VAL A 65 10.521 -7.615 -2.058 1.00 0.15 N ATOM 991 CA VAL A 65 9.175 -7.256 -2.584 1.00 0.16 C ATOM 992 C VAL A 65 9.349 -6.227 -3.701 1.00 0.16 C ATOM 993 O VAL A 65 8.775 -6.345 -4.766 1.00 0.19 O ATOM 994 CB VAL A 65 8.331 -6.656 -1.458 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.879 -6.510 -1.921 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.387 -7.576 -0.237 1.00 0.18 C ATOM 0 H VAL A 65 10.752 -7.217 -1.148 1.00 0.15 H new ATOM 0 HA VAL A 65 8.673 -8.143 -2.970 1.00 0.16 H new ATOM 0 HB VAL A 65 8.725 -5.674 -1.195 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.282 -6.082 -1.116 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.839 -5.854 -2.791 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.482 -7.490 -2.187 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.786 -7.151 0.567 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.995 -8.558 -0.503 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.420 -7.676 0.096 1.00 0.18 H new ATOM 1006 N ALA A 66 10.150 -5.221 -3.468 1.00 0.16 N ATOM 1007 CA ALA A 66 10.375 -4.189 -4.517 1.00 0.18 C ATOM 1008 C ALA A 66 11.026 -4.850 -5.731 1.00 0.19 C ATOM 1009 O ALA A 66 10.761 -4.494 -6.862 1.00 0.20 O ATOM 1010 CB ALA A 66 11.301 -3.099 -3.974 1.00 0.22 C ATOM 0 H ALA A 66 10.657 -5.071 -2.596 1.00 0.16 H new ATOM 0 HA ALA A 66 9.423 -3.742 -4.804 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.465 -2.344 -4.743 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.843 -2.634 -3.101 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.256 -3.541 -3.690 1.00 0.22 H new ATOM 1016 N SER A 67 11.872 -5.819 -5.506 1.00 0.21 N ATOM 1017 CA SER A 67 12.532 -6.506 -6.648 1.00 0.26 C ATOM 1018 C SER A 67 11.469 -7.233 -7.475 1.00 0.26 C ATOM 1019 O SER A 67 11.455 -7.163 -8.688 1.00 0.29 O ATOM 1020 CB SER A 67 13.548 -7.519 -6.121 1.00 0.31 C ATOM 1021 OG SER A 67 14.636 -6.825 -5.525 1.00 1.29 O ATOM 0 H SER A 67 12.133 -6.163 -4.582 1.00 0.21 H new ATOM 0 HA SER A 67 13.046 -5.773 -7.269 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.077 -8.177 -5.391 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.906 -8.150 -6.935 1.00 0.31 H new ATOM 0 HG SER A 67 14.316 -6.322 -4.747 1.00 1.29 H new ATOM 1027 N GLU A 68 10.576 -7.927 -6.823 1.00 0.26 N ATOM 1028 CA GLU A 68 9.509 -8.657 -7.564 1.00 0.30 C ATOM 1029 C GLU A 68 8.623 -7.648 -8.302 1.00 0.31 C ATOM 1030 O GLU A 68 8.239 -7.858 -9.435 1.00 0.36 O ATOM 1031 CB GLU A 68 8.662 -9.462 -6.570 1.00 0.31 C ATOM 1032 CG GLU A 68 7.845 -10.521 -7.319 1.00 0.39 C ATOM 1033 CD GLU A 68 8.768 -11.646 -7.795 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.906 -11.680 -7.357 1.00 2.20 O ATOM 1035 OE2 GLU A 68 8.319 -12.457 -8.590 1.00 2.19 O ATOM 0 H GLU A 68 10.540 -8.020 -5.808 1.00 0.26 H new ATOM 0 HA GLU A 68 9.960 -9.336 -8.287 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.307 -9.941 -5.834 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.995 -8.795 -6.023 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.071 -10.925 -6.667 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.339 -10.068 -8.172 1.00 0.39 H new ATOM 1042 N ALA A 69 8.298 -6.551 -7.667 1.00 0.29 N ATOM 1043 CA ALA A 69 7.438 -5.525 -8.329 1.00 0.31 C ATOM 1044 C ALA A 69 8.322 -4.553 -9.117 1.00 0.29 C ATOM 1045 O ALA A 69 7.839 -3.679 -9.811 1.00 0.33 O ATOM 1046 CB ALA A 69 6.653 -4.758 -7.262 1.00 0.31 C ATOM 0 H ALA A 69 8.592 -6.322 -6.717 1.00 0.29 H new ATOM 0 HA ALA A 69 6.741 -6.013 -9.010 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.024 -4.008 -7.742 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.027 -5.452 -6.702 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.348 -4.267 -6.582 1.00 0.31 H new ATOM 1052 N GLU A 70 9.613 -4.708 -9.024 1.00 0.27 N ATOM 1053 CA GLU A 70 10.539 -3.811 -9.772 1.00 0.29 C ATOM 1054 C GLU A 70 10.173 -2.341 -9.529 1.00 0.25 C ATOM 1055 O GLU A 70 9.966 -1.585 -10.458 1.00 0.26 O ATOM 1056 CB GLU A 70 10.436 -4.118 -11.269 1.00 0.38 C ATOM 1057 CG GLU A 70 10.903 -5.552 -11.532 1.00 1.18 C ATOM 1058 CD GLU A 70 12.420 -5.639 -11.352 1.00 1.61 C ATOM 1059 OE1 GLU A 70 13.116 -4.849 -11.967 1.00 2.06 O ATOM 1060 OE2 GLU A 70 12.859 -6.497 -10.603 1.00 2.34 O ATOM 0 H GLU A 70 10.070 -5.423 -8.458 1.00 0.27 H new ATOM 0 HA GLU A 70 11.558 -3.982 -9.424 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.407 -3.992 -11.606 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.046 -3.416 -11.837 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.405 -6.239 -10.847 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.629 -5.855 -12.542 1.00 1.18 H new ATOM 1067 N VAL A 71 10.112 -1.922 -8.292 1.00 0.22 N ATOM 1068 CA VAL A 71 9.780 -0.494 -8.005 1.00 0.19 C ATOM 1069 C VAL A 71 11.039 0.357 -8.190 1.00 0.23 C ATOM 1070 O VAL A 71 12.056 0.114 -7.569 1.00 0.28 O ATOM 1071 CB VAL A 71 9.280 -0.356 -6.567 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.899 1.106 -6.300 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.059 -1.260 -6.366 1.00 0.19 C ATOM 0 H VAL A 71 10.277 -2.504 -7.471 1.00 0.22 H new ATOM 0 HA VAL A 71 9.000 -0.157 -8.688 1.00 0.19 H new ATOM 0 HB VAL A 71 10.065 -0.654 -5.872 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.542 1.208 -5.275 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.772 1.742 -6.445 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.112 1.409 -6.990 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.700 -1.164 -5.341 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.269 -0.964 -7.057 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.338 -2.296 -6.557 1.00 0.19 H new ATOM 1083 N LYS A 72 10.980 1.352 -9.042 1.00 0.24 N ATOM 1084 CA LYS A 72 12.174 2.230 -9.282 1.00 0.29 C ATOM 1085 C LYS A 72 11.885 3.649 -8.789 1.00 0.26 C ATOM 1086 O LYS A 72 12.678 4.549 -8.976 1.00 0.27 O ATOM 1087 CB LYS A 72 12.472 2.282 -10.782 1.00 0.35 C ATOM 1088 CG LYS A 72 12.631 0.863 -11.329 1.00 0.43 C ATOM 1089 CD LYS A 72 13.026 0.930 -12.806 1.00 1.16 C ATOM 1090 CE LYS A 72 13.086 -0.484 -13.385 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.240 -0.407 -14.865 1.00 2.40 N ATOM 0 H LYS A 72 10.152 1.597 -9.586 1.00 0.24 H new ATOM 0 HA LYS A 72 13.029 1.822 -8.743 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.664 2.795 -11.305 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.382 2.855 -10.962 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.391 0.326 -10.762 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.698 0.311 -11.215 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.304 1.530 -13.359 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.994 1.419 -12.912 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.922 -1.032 -12.949 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.179 -1.032 -13.131 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 13.281 -1.368 -15.260 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.429 0.101 -15.272 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.118 0.100 -15.097 1.00 2.40 H new ATOM 1105 N ALA A 73 10.759 3.862 -8.167 1.00 0.22 N ATOM 1106 CA ALA A 73 10.423 5.232 -7.673 1.00 0.20 C ATOM 1107 C ALA A 73 9.514 5.117 -6.452 1.00 0.18 C ATOM 1108 O ALA A 73 8.721 4.216 -6.361 1.00 0.16 O ATOM 1109 CB ALA A 73 9.686 6.001 -8.784 1.00 0.21 C ATOM 0 H ALA A 73 10.055 3.148 -7.978 1.00 0.22 H new ATOM 0 HA ALA A 73 11.336 5.761 -7.401 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.438 7.002 -8.431 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.327 6.075 -9.662 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.770 5.471 -9.047 1.00 0.21 H new ATOM 1115 N THR A 74 9.607 6.041 -5.524 1.00 0.18 N ATOM 1116 CA THR A 74 8.715 5.996 -4.320 1.00 0.17 C ATOM 1117 C THR A 74 8.095 7.391 -4.115 1.00 0.17 C ATOM 1118 O THR A 74 8.731 8.379 -4.426 1.00 0.19 O ATOM 1119 CB THR A 74 9.528 5.620 -3.064 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.692 6.421 -2.998 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.951 4.138 -3.092 1.00 0.19 C ATOM 0 H THR A 74 10.261 6.823 -5.548 1.00 0.18 H new ATOM 0 HA THR A 74 7.937 5.248 -4.476 1.00 0.17 H new ATOM 0 HB THR A 74 8.895 5.788 -2.192 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.208 6.183 -2.199 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.522 3.906 -2.193 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.063 3.507 -3.131 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.567 3.952 -3.972 1.00 0.19 H new ATOM 1129 N PRO A 75 6.889 7.458 -3.578 1.00 0.17 N ATOM 1130 CA PRO A 75 6.076 6.285 -3.185 1.00 0.16 C ATOM 1131 C PRO A 75 5.418 5.653 -4.417 1.00 0.14 C ATOM 1132 O PRO A 75 5.019 6.339 -5.337 1.00 0.14 O ATOM 1133 CB PRO A 75 4.993 6.870 -2.251 1.00 0.17 C ATOM 1134 CG PRO A 75 5.021 8.413 -2.429 1.00 0.20 C ATOM 1135 CD PRO A 75 6.251 8.755 -3.295 1.00 0.19 C ATOM 0 HA PRO A 75 6.672 5.507 -2.708 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.011 6.471 -2.503 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.191 6.598 -1.214 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.106 8.761 -2.908 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.083 8.910 -1.461 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.958 9.260 -4.215 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.932 9.423 -2.768 1.00 0.19 H new ATOM 1143 N THR A 76 5.273 4.351 -4.415 1.00 0.13 N ATOM 1144 CA THR A 76 4.596 3.657 -5.557 1.00 0.12 C ATOM 1145 C THR A 76 3.328 3.021 -5.021 1.00 0.12 C ATOM 1146 O THR A 76 3.376 2.121 -4.205 1.00 0.18 O ATOM 1147 CB THR A 76 5.490 2.556 -6.149 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.814 3.032 -6.255 1.00 0.13 O ATOM 1149 CG2 THR A 76 4.977 2.159 -7.535 1.00 0.13 C ATOM 0 H THR A 76 5.596 3.735 -3.669 1.00 0.13 H new ATOM 0 HA THR A 76 4.383 4.381 -6.344 1.00 0.12 H new ATOM 0 HB THR A 76 5.466 1.684 -5.495 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.802 4.000 -6.406 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.615 1.378 -7.949 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.956 1.787 -7.452 1.00 0.13 H new ATOM 0 HG23 THR A 76 4.994 3.028 -8.192 1.00 0.13 H new ATOM 1157 N PHE A 77 2.194 3.469 -5.466 1.00 0.09 N ATOM 1158 CA PHE A 77 0.926 2.868 -4.972 1.00 0.09 C ATOM 1159 C PHE A 77 0.538 1.734 -5.896 1.00 0.09 C ATOM 1160 O PHE A 77 0.303 1.923 -7.073 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.188 3.907 -4.946 1.00 0.10 C ATOM 1162 CG PHE A 77 0.104 4.903 -3.862 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.123 4.546 -2.522 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.607 6.181 -4.182 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.151 5.467 -1.495 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.879 7.104 -3.153 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.652 6.748 -1.811 1.00 0.12 C ATOM 0 H PHE A 77 2.087 4.221 -6.147 1.00 0.09 H new ATOM 0 HA PHE A 77 1.074 2.499 -3.957 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.258 4.409 -5.911 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.149 3.425 -4.767 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.507 3.566 -2.281 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.783 6.451 -5.213 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.022 5.194 -0.465 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.262 8.085 -3.394 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.861 7.455 -1.022 1.00 0.12 H new ATOM 1177 N GLN A 78 0.472 0.551 -5.360 1.00 0.07 N ATOM 1178 CA GLN A 78 0.097 -0.635 -6.172 1.00 0.07 C ATOM 1179 C GLN A 78 -1.163 -1.231 -5.562 1.00 0.06 C ATOM 1180 O GLN A 78 -1.290 -1.338 -4.357 1.00 0.07 O ATOM 1181 CB GLN A 78 1.242 -1.648 -6.131 1.00 0.08 C ATOM 1182 CG GLN A 78 2.574 -0.925 -6.350 1.00 0.12 C ATOM 1183 CD GLN A 78 3.665 -1.947 -6.680 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.814 -2.938 -5.992 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.438 -1.747 -7.712 1.00 1.03 N ATOM 0 H GLN A 78 0.665 0.353 -4.378 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.087 -0.362 -7.211 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.250 -2.164 -5.171 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.098 -2.407 -6.900 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.479 -0.204 -7.162 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.846 -0.364 -5.456 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.313 -0.915 -8.289 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.167 -2.422 -7.941 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.110 -1.590 -6.384 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.393 -2.149 -5.867 1.00 0.07 C ATOM 1196 C PHE A 79 -3.450 -3.646 -6.145 1.00 0.07 C ATOM 1197 O PHE A 79 -3.179 -4.098 -7.240 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.557 -1.443 -6.567 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.544 0.020 -6.185 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.540 0.862 -6.691 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.518 0.537 -5.314 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.505 2.222 -6.331 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.486 1.894 -4.945 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.481 2.737 -5.453 1.00 0.11 C ATOM 0 H PHE A 79 -2.050 -1.520 -7.400 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.461 -1.989 -4.791 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.468 -1.551 -7.648 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.504 -1.900 -6.278 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.791 0.464 -7.360 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.293 -0.109 -4.927 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.735 2.868 -6.725 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.233 2.289 -4.272 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.457 3.779 -5.170 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.805 -4.417 -5.150 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.894 -5.897 -5.316 1.00 0.08 C ATOM 1216 C PHE A 80 -5.289 -6.350 -4.902 1.00 0.11 C ATOM 1217 O PHE A 80 -5.974 -5.691 -4.144 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.846 -6.577 -4.425 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.480 -6.466 -5.063 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.030 -7.466 -5.947 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.654 -5.364 -4.770 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.246 -7.363 -6.537 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.619 -5.263 -5.359 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.071 -6.260 -6.241 1.00 0.14 C ATOM 0 H PHE A 80 -4.040 -4.078 -4.217 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.708 -6.168 -6.355 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.836 -6.111 -3.440 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.105 -7.626 -4.279 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.663 -8.312 -6.173 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.998 -4.596 -4.093 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.591 -8.129 -7.216 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.251 -4.417 -5.133 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.049 -6.181 -6.691 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.717 -7.470 -5.402 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.067 -7.980 -5.054 1.00 0.14 C ATOM 1236 C LYS A 81 -7.062 -9.492 -5.262 1.00 0.14 C ATOM 1237 O LYS A 81 -6.789 -9.973 -6.344 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.106 -7.311 -5.967 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.501 -7.384 -5.334 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.471 -6.526 -6.148 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.867 -6.614 -5.534 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.433 -7.970 -5.787 1.00 1.48 N ATOM 0 H LYS A 81 -5.185 -8.059 -6.042 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.321 -7.753 -4.019 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.832 -6.270 -6.139 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.115 -7.803 -6.940 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.847 -8.417 -5.306 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.464 -7.033 -4.303 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.133 -5.490 -6.162 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.495 -6.868 -7.183 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.818 -6.422 -4.462 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.515 -5.851 -5.965 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.459 -7.954 -5.620 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.246 -8.246 -6.772 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -11.988 -8.657 -5.145 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.343 -10.239 -4.232 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.342 -11.722 -4.357 1.00 0.20 C ATOM 1258 C LYS A 82 -5.988 -12.211 -4.888 1.00 0.20 C ATOM 1259 O LYS A 82 -5.912 -13.190 -5.605 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.457 -12.159 -5.316 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.818 -12.042 -4.620 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.906 -12.670 -5.500 1.00 0.36 C ATOM 1263 CE LYS A 82 -10.972 -11.954 -6.855 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.304 -12.200 -7.478 1.00 1.67 N ATOM 0 H LYS A 82 -7.574 -9.884 -3.304 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.514 -12.158 -3.373 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.442 -11.538 -6.212 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.290 -13.187 -5.638 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.786 -12.542 -3.652 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.051 -10.994 -4.430 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.696 -13.729 -5.650 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.872 -12.605 -4.999 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.812 -10.884 -6.722 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.179 -12.316 -7.510 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.352 -11.716 -8.397 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.439 -13.222 -7.617 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.052 -11.834 -6.855 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.919 -11.556 -4.527 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.574 -12.004 -4.993 1.00 0.21 C ATOM 1280 C GLY A 83 -3.317 -11.544 -6.430 1.00 0.19 C ATOM 1281 O GLY A 83 -2.297 -11.866 -7.008 1.00 0.22 O ATOM 0 H GLY A 83 -4.918 -10.729 -3.929 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.804 -11.603 -4.334 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.508 -13.091 -4.937 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.227 -10.799 -7.014 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.021 -10.323 -8.426 1.00 0.17 C ATOM 1287 C GLN A 84 -3.869 -8.803 -8.456 1.00 0.16 C ATOM 1288 O GLN A 84 -4.478 -8.090 -7.684 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.228 -10.702 -9.280 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.482 -12.205 -9.177 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.784 -12.554 -9.900 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -6.840 -13.510 -10.649 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -7.841 -11.814 -9.707 1.00 2.08 N ATOM 0 H GLN A 84 -5.100 -10.500 -6.579 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.118 -10.792 -8.818 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.108 -10.151 -8.947 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.052 -10.424 -10.319 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.651 -12.756 -9.617 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.544 -12.503 -8.130 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -7.794 -11.012 -9.079 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.714 -12.038 -10.184 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.070 -8.303 -9.361 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.883 -6.828 -9.472 1.00 0.17 C ATOM 1304 C LYS A 85 -3.979 -6.261 -10.375 1.00 0.16 C ATOM 1305 O LYS A 85 -4.406 -6.902 -11.317 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.504 -6.533 -10.063 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.109 -5.093 -9.714 1.00 0.25 C ATOM 1308 CD LYS A 85 0.219 -4.727 -10.379 1.00 0.30 C ATOM 1309 CE LYS A 85 1.314 -5.726 -9.976 1.00 0.89 C ATOM 1310 NZ LYS A 85 2.648 -5.073 -10.101 1.00 1.70 N ATOM 0 H LYS A 85 -2.536 -8.857 -10.031 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.948 -6.364 -8.488 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.767 -7.232 -9.667 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.521 -6.667 -11.145 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.889 -4.406 -10.042 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.023 -4.985 -8.633 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.102 -4.724 -11.463 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.513 -3.719 -10.088 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.156 -6.063 -8.951 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.268 -6.610 -10.612 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 3.391 -5.747 -9.829 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 2.797 -4.773 -11.086 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.688 -4.243 -9.476 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.458 -5.079 -10.082 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.556 -4.475 -10.904 1.00 0.16 C ATOM 1326 C VAL A 86 -5.171 -3.060 -11.357 1.00 0.18 C ATOM 1327 O VAL A 86 -5.720 -2.542 -12.308 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.830 -4.424 -10.052 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.464 -5.816 -9.989 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.482 -3.974 -8.628 1.00 0.17 C ATOM 0 H VAL A 86 -4.136 -4.502 -9.305 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.724 -5.082 -11.794 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.529 -3.719 -10.502 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.369 -5.776 -9.383 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.716 -6.147 -10.996 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.759 -6.517 -9.543 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.390 -3.939 -8.025 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.779 -4.680 -8.185 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.029 -2.983 -8.660 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.238 -2.429 -10.697 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.846 -1.051 -11.122 1.00 0.18 C ATOM 1342 C GLY A 87 -2.684 -0.547 -10.266 1.00 0.10 C ATOM 1343 O GLY A 87 -2.265 -1.193 -9.326 1.00 0.08 O ATOM 0 H GLY A 87 -3.735 -2.801 -9.891 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.558 -1.054 -12.173 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.697 -0.377 -11.027 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.157 0.605 -10.587 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.018 1.151 -9.797 1.00 0.10 C ATOM 1349 C GLU A 88 -0.676 2.562 -10.272 1.00 0.10 C ATOM 1350 O GLU A 88 -0.951 2.937 -11.394 1.00 0.11 O ATOM 1351 CB GLU A 88 0.206 0.256 -9.987 1.00 0.17 C ATOM 1352 CG GLU A 88 0.449 0.035 -11.482 1.00 0.25 C ATOM 1353 CD GLU A 88 1.695 -0.830 -11.673 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.027 -1.565 -10.758 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.295 -0.743 -12.731 1.00 2.04 O ATOM 0 H GLU A 88 -2.467 1.191 -11.362 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.302 1.182 -8.745 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.081 0.717 -9.530 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.052 -0.700 -9.487 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.416 -0.450 -11.934 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.577 0.993 -11.986 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.052 3.337 -9.427 1.00 0.09 N ATOM 1363 CA PHE A 89 0.339 4.717 -9.824 1.00 0.09 C ATOM 1364 C PHE A 89 1.285 5.308 -8.773 1.00 0.09 C ATOM 1365 O PHE A 89 1.029 5.248 -7.592 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.908 5.606 -10.004 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.490 6.036 -8.671 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.839 7.019 -7.893 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.702 5.472 -8.213 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.393 7.428 -6.668 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.254 5.886 -6.985 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.601 6.864 -6.212 1.00 0.11 C ATOM 0 H PHE A 89 0.204 3.072 -8.476 1.00 0.09 H new ATOM 0 HA PHE A 89 0.859 4.677 -10.781 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.644 6.488 -10.587 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.663 5.062 -10.572 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.085 7.457 -8.240 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.206 4.722 -8.805 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.891 8.177 -6.074 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.180 5.452 -6.636 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.025 7.182 -5.271 1.00 0.11 H new ATOM 1382 N SER A 90 2.383 5.882 -9.198 1.00 0.13 N ATOM 1383 CA SER A 90 3.353 6.494 -8.229 1.00 0.14 C ATOM 1384 C SER A 90 3.186 8.015 -8.267 1.00 0.14 C ATOM 1385 O SER A 90 2.174 8.525 -8.706 1.00 0.17 O ATOM 1386 CB SER A 90 4.782 6.131 -8.634 1.00 0.15 C ATOM 1387 OG SER A 90 5.207 6.995 -9.682 1.00 0.16 O ATOM 0 H SER A 90 2.653 5.955 -10.179 1.00 0.13 H new ATOM 0 HA SER A 90 3.160 6.119 -7.224 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.450 6.223 -7.777 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.827 5.093 -8.962 1.00 0.15 H new ATOM 0 HG SER A 90 6.095 7.352 -9.472 1.00 0.16 H new ATOM 1393 N GLY A 91 4.169 8.742 -7.815 1.00 0.12 N ATOM 1394 CA GLY A 91 4.064 10.232 -7.829 1.00 0.13 C ATOM 1395 C GLY A 91 3.213 10.694 -6.646 1.00 0.13 C ATOM 1396 O GLY A 91 2.076 10.293 -6.494 1.00 0.13 O ATOM 0 H GLY A 91 5.041 8.372 -7.436 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.057 10.678 -7.772 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.617 10.567 -8.765 1.00 0.13 H new ATOM 1400 N ALA A 92 3.758 11.523 -5.799 1.00 0.15 N ATOM 1401 CA ALA A 92 2.983 11.996 -4.615 1.00 0.17 C ATOM 1402 C ALA A 92 1.590 12.477 -5.039 1.00 0.15 C ATOM 1403 O ALA A 92 1.402 13.621 -5.405 1.00 0.16 O ATOM 1404 CB ALA A 92 3.740 13.149 -3.935 1.00 0.20 C ATOM 0 H ALA A 92 4.705 11.894 -5.874 1.00 0.15 H new ATOM 0 HA ALA A 92 2.868 11.166 -3.917 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.175 13.495 -3.070 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.721 12.800 -3.612 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.862 13.970 -4.641 1.00 0.20 H new ATOM 1410 N ASN A 93 0.608 11.617 -4.962 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.787 12.015 -5.323 1.00 0.13 C ATOM 1412 C ASN A 93 -1.732 11.417 -4.273 1.00 0.12 C ATOM 1413 O ASN A 93 -2.451 10.470 -4.523 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.130 11.487 -6.723 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.288 12.300 -7.302 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.422 12.420 -8.503 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.146 12.858 -6.490 1.00 1.15 N ATOM 0 H ASN A 93 0.713 10.648 -4.662 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.889 13.100 -5.338 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.259 11.559 -7.374 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.402 10.433 -6.670 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.928 13.394 -6.865 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.033 12.757 -5.481 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.698 11.959 -3.085 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.547 11.437 -1.970 1.00 0.20 C ATOM 1426 C LYS A 94 -4.037 11.556 -2.301 1.00 0.18 C ATOM 1427 O LYS A 94 -4.818 10.685 -1.977 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.246 12.238 -0.693 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.067 13.723 -1.052 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.951 14.577 0.218 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.528 14.496 0.786 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.442 14.990 -0.231 1.00 1.19 N ATOM 0 H LYS A 94 -1.109 12.754 -2.835 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.314 10.382 -1.824 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.059 12.121 0.023 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.344 11.857 -0.215 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.174 13.849 -1.664 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.913 14.063 -1.649 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.201 15.613 -0.008 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.668 14.232 0.963 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.453 15.093 1.695 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.292 13.468 1.060 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.278 15.382 0.248 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.732 14.202 -0.845 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -0.006 15.731 -0.807 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.450 12.624 -2.915 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.897 12.775 -3.223 1.00 0.20 C ATOM 1448 C GLU A 95 -6.325 11.704 -4.233 1.00 0.17 C ATOM 1449 O GLU A 95 -7.475 11.315 -4.288 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.145 14.171 -3.804 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.142 15.212 -2.678 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.539 16.576 -3.243 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -5.775 17.116 -4.027 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -7.602 17.058 -2.885 1.00 1.86 O ATOM 0 H GLU A 95 -3.854 13.395 -3.216 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.481 12.653 -2.311 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.374 14.412 -4.536 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.100 14.192 -4.328 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.837 14.916 -1.893 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.153 15.269 -2.223 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.410 11.220 -5.025 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.761 10.170 -6.023 1.00 0.14 C ATOM 1463 C LYS A 96 -6.090 8.865 -5.299 1.00 0.12 C ATOM 1464 O LYS A 96 -6.915 8.096 -5.740 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.583 9.949 -6.972 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.978 8.977 -8.084 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.791 8.774 -9.037 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.284 8.194 -10.364 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.249 9.143 -10.989 1.00 2.05 N ATOM 0 H LYS A 96 -4.431 11.507 -5.025 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.630 10.493 -6.597 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.271 10.900 -7.404 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.730 9.554 -6.420 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.280 8.022 -7.655 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.836 9.366 -8.633 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.286 9.724 -9.210 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.061 8.102 -8.585 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.442 8.021 -11.034 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.762 7.229 -10.197 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.031 9.244 -12.001 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -6.216 8.778 -10.878 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.174 10.070 -10.524 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.452 8.610 -4.188 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.742 7.351 -3.445 1.00 0.11 C ATOM 1485 C LEU A 97 -7.251 7.224 -3.245 1.00 0.11 C ATOM 1486 O LEU A 97 -7.811 6.149 -3.328 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.060 7.398 -2.070 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.576 7.043 -2.198 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.886 7.356 -0.863 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.411 5.541 -2.559 1.00 0.13 C ATOM 0 H LEU A 97 -4.747 9.215 -3.766 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.367 6.499 -4.012 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.166 8.393 -1.638 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.550 6.701 -1.390 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.119 7.630 -2.995 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.827 7.109 -0.934 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.997 8.416 -0.636 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.343 6.765 -0.070 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.351 5.302 -2.647 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.857 4.928 -1.776 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.909 5.338 -3.507 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.909 8.313 -2.973 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.384 8.250 -2.757 1.00 0.14 C ATOM 1504 C GLU A 98 -10.070 7.854 -4.066 1.00 0.13 C ATOM 1505 O GLU A 98 -10.847 6.922 -4.117 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.895 9.621 -2.302 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.426 9.607 -2.228 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.915 10.846 -1.473 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.628 11.943 -1.924 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.572 10.677 -0.459 1.00 2.15 O ATOM 0 H GLU A 98 -7.495 9.241 -2.890 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.610 7.510 -1.989 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.477 9.869 -1.326 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.563 10.392 -2.997 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.849 9.591 -3.233 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.768 8.703 -1.724 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.791 8.564 -5.122 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.428 8.249 -6.432 1.00 0.14 C ATOM 1519 C ALA A 99 -10.093 6.819 -6.867 1.00 0.12 C ATOM 1520 O ALA A 99 -10.937 6.108 -7.371 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.916 9.229 -7.488 1.00 0.15 C ATOM 0 H ALA A 99 -9.146 9.354 -5.135 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.509 8.339 -6.327 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.379 9.003 -8.449 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.170 10.247 -7.193 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.834 9.136 -7.576 1.00 0.15 H new ATOM 1527 N THR A 100 -8.870 6.395 -6.697 1.00 0.11 N ATOM 1528 CA THR A 100 -8.493 5.017 -7.129 1.00 0.11 C ATOM 1529 C THR A 100 -9.197 3.978 -6.256 1.00 0.10 C ATOM 1530 O THR A 100 -9.701 2.986 -6.747 1.00 0.11 O ATOM 1531 CB THR A 100 -6.977 4.840 -7.021 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.331 5.925 -7.672 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.564 3.525 -7.689 1.00 0.12 C ATOM 0 H THR A 100 -8.117 6.941 -6.279 1.00 0.11 H new ATOM 0 HA THR A 100 -8.802 4.875 -8.165 1.00 0.11 H new ATOM 0 HB THR A 100 -6.687 4.817 -5.971 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.374 5.731 -7.759 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.484 3.401 -7.611 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.062 2.692 -7.192 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.852 3.545 -8.740 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.244 4.189 -4.970 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.926 3.201 -4.086 1.00 0.11 C ATOM 1543 C ILE A 101 -11.401 3.116 -4.491 1.00 0.13 C ATOM 1544 O ILE A 101 -11.927 2.047 -4.729 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.814 3.650 -2.616 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.367 3.433 -2.125 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.791 2.833 -1.752 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -8.088 4.278 -0.871 1.00 0.18 C ATOM 0 H ILE A 101 -8.843 4.997 -4.495 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.455 2.224 -4.191 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.067 4.707 -2.534 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.207 2.378 -1.902 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.665 3.702 -2.915 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.711 3.151 -0.713 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.810 2.994 -2.104 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.545 1.774 -1.827 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -7.063 4.111 -0.540 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.226 5.333 -1.105 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.777 3.989 -0.077 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.070 4.232 -4.566 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.510 4.217 -4.946 1.00 0.17 C ATOM 1562 C ASN A 102 -13.663 3.631 -6.352 1.00 0.18 C ATOM 1563 O ASN A 102 -14.737 3.230 -6.755 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.056 5.649 -4.923 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.585 5.618 -4.881 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.221 5.106 -5.782 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.207 6.149 -3.864 1.00 1.03 N ATOM 0 H ASN A 102 -11.681 5.156 -4.380 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.068 3.604 -4.238 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.670 6.182 -4.054 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.718 6.192 -5.806 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.226 6.134 -3.825 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.674 6.579 -3.108 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.600 3.586 -7.103 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.680 3.037 -8.485 1.00 0.18 C ATOM 1576 C GLU A 103 -12.752 1.508 -8.439 1.00 0.19 C ATOM 1577 O GLU A 103 -13.684 0.903 -8.931 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.431 3.465 -9.266 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.689 3.345 -10.771 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.461 3.837 -11.541 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.358 3.566 -11.094 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.645 4.478 -12.563 1.00 2.02 O ATOM 0 H GLU A 103 -11.675 3.907 -6.818 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.575 3.420 -8.975 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.169 4.493 -9.014 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.583 2.841 -8.983 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.904 2.309 -11.032 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.565 3.932 -11.048 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.760 0.881 -7.869 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.742 -0.611 -7.804 1.00 0.19 C ATOM 1591 C LEU A 104 -12.370 -1.097 -6.493 1.00 0.19 C ATOM 1592 O LEU A 104 -12.150 -2.215 -6.068 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.290 -1.081 -7.890 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.629 -0.498 -9.146 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.153 -0.890 -9.151 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.316 -1.044 -10.410 1.00 0.35 C ATOM 0 H LEU A 104 -10.955 1.340 -7.442 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.321 -1.021 -8.632 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.743 -0.767 -7.001 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.252 -2.170 -7.920 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.727 0.588 -9.139 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.671 -0.482 -10.039 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.668 -0.492 -8.260 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.065 -1.976 -9.158 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.838 -0.623 -11.295 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.227 -2.130 -10.432 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.370 -0.766 -10.400 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.159 -0.276 -5.857 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.808 -0.704 -4.583 1.00 0.22 C ATOM 1610 C VAL A 105 -14.756 -1.871 -4.869 1.00 0.26 C ATOM 1611 O VAL A 105 -15.195 -1.988 -6.002 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.600 0.468 -3.993 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.641 0.953 -5.011 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.298 0.017 -2.703 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.025 -2.630 -3.952 1.00 1.18 O ATOM 0 H VAL A 105 -13.383 0.671 -6.162 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.045 -1.018 -3.870 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.919 1.288 -3.764 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.202 1.786 -4.588 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.136 1.280 -5.920 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.325 0.138 -5.248 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.861 0.851 -2.283 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.978 -0.805 -2.926 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.551 -0.315 -1.982 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.627 0.960 6.713 1.00 0.00 N ATOM 1627 CA PHE B 1 22.534 1.396 5.290 1.00 0.00 C ATOM 1628 C PHE B 1 21.205 0.915 4.699 1.00 0.00 C ATOM 1629 O PHE B 1 21.026 -0.257 4.426 1.00 0.00 O ATOM 1630 CB PHE B 1 23.706 0.802 4.496 1.00 0.00 C ATOM 1631 CG PHE B 1 23.501 1.046 3.018 1.00 0.00 C ATOM 1632 CD1 PHE B 1 23.608 2.351 2.505 1.00 0.00 C ATOM 1633 CD2 PHE B 1 23.199 -0.027 2.154 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.414 2.586 1.131 1.00 0.00 C ATOM 1635 CE2 PHE B 1 23.006 0.209 0.778 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.113 1.516 0.268 1.00 0.00 C ATOM 0 H1 PHE B 1 23.528 1.285 7.117 1.00 0.00 H new ATOM 0 H2 PHE B 1 21.838 1.368 7.253 1.00 0.00 H new ATOM 0 H3 PHE B 1 22.580 -0.078 6.762 1.00 0.00 H new ATOM 0 HA PHE B 1 22.580 2.484 5.234 1.00 0.00 H new ATOM 0 HB2 PHE B 1 24.643 1.253 4.822 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.783 -0.268 4.690 1.00 0.00 H new ATOM 0 HD1 PHE B 1 23.839 3.173 3.166 1.00 0.00 H new ATOM 0 HD2 PHE B 1 23.116 -1.030 2.547 1.00 0.00 H new ATOM 0 HE1 PHE B 1 23.496 3.589 0.738 1.00 0.00 H new ATOM 0 HE2 PHE B 1 22.776 -0.613 0.116 1.00 0.00 H new ATOM 0 HZ PHE B 1 22.964 1.698 -0.786 1.00 0.00 H new ATOM 1648 N ARG B 2 20.272 1.814 4.499 1.00 0.00 N ATOM 1649 CA ARG B 2 18.943 1.428 3.925 1.00 0.00 C ATOM 1650 C ARG B 2 18.577 2.397 2.798 1.00 0.00 C ATOM 1651 O ARG B 2 17.546 3.042 2.836 1.00 0.00 O ATOM 1652 CB ARG B 2 17.876 1.500 5.021 1.00 0.00 C ATOM 1653 CG ARG B 2 18.188 0.477 6.114 1.00 0.00 C ATOM 1654 CD ARG B 2 17.182 0.636 7.255 1.00 0.00 C ATOM 1655 NE ARG B 2 15.802 0.434 6.728 1.00 0.00 N ATOM 1656 CZ ARG B 2 14.809 0.233 7.552 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.022 0.209 8.839 1.00 0.00 N ATOM 1658 NH2 ARG B 2 13.603 0.055 7.087 1.00 0.00 N ATOM 0 H ARG B 2 20.374 2.807 4.710 1.00 0.00 H new ATOM 0 HA ARG B 2 18.996 0.413 3.532 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.846 2.503 5.447 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.891 1.304 4.597 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.138 -0.533 5.708 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.203 0.622 6.485 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.392 -0.087 8.043 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.272 1.627 7.699 1.00 0.00 H new ATOM 0 HE ARG B 2 15.633 0.453 5.722 1.00 0.00 H new ATOM 0 HH11 ARG B 2 15.965 0.347 9.203 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.246 0.052 9.482 1.00 0.00 H new ATOM 0 HH21 ARG B 2 13.437 0.073 6.081 1.00 0.00 H new ATOM 0 HH22 ARG B 2 12.827 -0.102 7.730 1.00 0.00 H new ATOM 1672 N PHE B 3 19.414 2.505 1.792 1.00 0.00 N ATOM 1673 CA PHE B 3 19.127 3.433 0.648 1.00 0.00 C ATOM 1674 C PHE B 3 18.845 2.617 -0.612 1.00 0.00 C ATOM 1675 O PHE B 3 19.227 1.468 -0.720 1.00 0.00 O ATOM 1676 CB PHE B 3 20.335 4.331 0.402 1.00 0.00 C ATOM 1677 CG PHE B 3 20.416 5.375 1.490 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.823 5.008 2.787 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.076 6.713 1.211 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.892 5.979 3.804 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.147 7.684 2.228 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.555 7.316 3.524 1.00 0.00 C ATOM 0 H PHE B 3 20.289 1.987 1.713 1.00 0.00 H new ATOM 0 HA PHE B 3 18.259 4.046 0.891 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.247 3.735 0.386 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.252 4.812 -0.573 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.082 3.982 3.002 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.761 6.994 0.217 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.204 5.698 4.799 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.889 8.711 2.014 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.609 8.061 4.304 1.00 0.00 H new ATOM 1692 N ARG B 4 18.180 3.204 -1.570 1.00 0.00 N ATOM 1693 CA ARG B 4 17.872 2.465 -2.827 1.00 0.00 C ATOM 1694 C ARG B 4 17.798 3.467 -3.993 1.00 0.00 C ATOM 1695 O ARG B 4 18.812 3.867 -4.527 1.00 0.00 O ATOM 1696 CB ARG B 4 16.531 1.718 -2.640 1.00 0.00 C ATOM 1697 CG ARG B 4 16.778 0.222 -2.384 1.00 0.00 C ATOM 1698 CD ARG B 4 17.393 -0.449 -3.629 1.00 0.00 C ATOM 1699 NE ARG B 4 16.813 -1.813 -3.785 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.938 -2.449 -4.917 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.551 -1.881 -5.919 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.446 -3.651 -5.048 1.00 0.00 N ATOM 0 H ARG B 4 17.837 4.164 -1.536 1.00 0.00 H new ATOM 0 HA ARG B 4 18.650 1.736 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.981 2.150 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.911 1.843 -3.528 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.446 0.099 -1.531 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.839 -0.268 -2.127 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.191 0.149 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.476 -0.511 -3.526 1.00 0.00 H new ATOM 0 HE ARG B 4 16.318 -2.249 -3.007 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.932 -0.940 -5.817 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.649 -2.378 -6.805 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.964 -4.093 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.544 -4.148 -5.933 1.00 0.00 H new ATOM 1716 N TYR B 5 16.610 3.872 -4.390 1.00 0.00 N ATOM 1717 CA TYR B 5 16.471 4.848 -5.519 1.00 0.00 C ATOM 1718 C TYR B 5 15.846 6.157 -5.024 1.00 0.00 C ATOM 1719 O TYR B 5 15.695 6.379 -3.839 1.00 0.00 O ATOM 1720 CB TYR B 5 15.644 4.222 -6.656 1.00 0.00 C ATOM 1721 CG TYR B 5 14.544 3.351 -6.108 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.806 2.004 -5.789 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.249 3.868 -5.952 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.772 1.179 -5.302 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.216 3.045 -5.473 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.475 1.701 -5.144 1.00 0.00 C ATOM 1727 OH TYR B 5 11.461 0.896 -4.673 1.00 0.00 O ATOM 0 H TYR B 5 15.729 3.566 -3.977 1.00 0.00 H new ATOM 0 HA TYR B 5 17.460 5.085 -5.911 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.214 5.010 -7.274 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.294 3.630 -7.300 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.800 1.603 -5.918 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.046 4.899 -6.200 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.975 0.148 -5.051 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.220 3.445 -5.357 1.00 0.00 H new ATOM 0 HH TYR B 5 11.836 0.045 -4.365 1.00 0.00 H new ATOM 1737 N VAL B 6 15.542 7.048 -5.929 1.00 0.00 N ATOM 1738 CA VAL B 6 14.998 8.381 -5.534 1.00 0.00 C ATOM 1739 C VAL B 6 13.533 8.312 -5.093 1.00 0.00 C ATOM 1740 O VAL B 6 12.752 7.511 -5.573 1.00 0.00 O ATOM 1741 CB VAL B 6 15.097 9.333 -6.733 1.00 0.00 C ATOM 1742 CG1 VAL B 6 15.054 10.784 -6.247 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.403 9.072 -7.486 1.00 0.00 C ATOM 0 H VAL B 6 15.648 6.909 -6.934 1.00 0.00 H new ATOM 0 HA VAL B 6 15.587 8.735 -4.688 1.00 0.00 H new ATOM 0 HB VAL B 6 14.256 9.160 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.125 11.456 -7.102 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.117 10.964 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.890 10.967 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.473 9.748 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.248 9.240 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.420 8.041 -7.839 1.00 0.00 H new ATOM 1753 N CYS B 7 13.158 9.198 -4.203 1.00 0.00 N ATOM 1754 CA CYS B 7 11.746 9.269 -3.733 1.00 0.00 C ATOM 1755 C CYS B 7 11.059 10.429 -4.453 1.00 0.00 C ATOM 1756 O CYS B 7 11.181 11.573 -4.058 1.00 0.00 O ATOM 1757 CB CYS B 7 11.707 9.504 -2.215 1.00 0.00 C ATOM 1758 SG CYS B 7 13.002 8.538 -1.400 1.00 0.00 S ATOM 0 H CYS B 7 13.782 9.884 -3.778 1.00 0.00 H new ATOM 0 HA CYS B 7 11.233 8.332 -3.951 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.844 10.564 -2.000 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.731 9.222 -1.821 1.00 0.00 H new ATOM 1763 N GLU B 8 10.350 10.152 -5.512 1.00 0.00 N ATOM 1764 CA GLU B 8 9.673 11.251 -6.257 1.00 0.00 C ATOM 1765 C GLU B 8 8.334 11.586 -5.593 1.00 0.00 C ATOM 1766 O GLU B 8 7.318 11.751 -6.248 1.00 0.00 O ATOM 1767 CB GLU B 8 9.436 10.822 -7.711 1.00 0.00 C ATOM 1768 CG GLU B 8 8.997 9.352 -7.750 1.00 0.00 C ATOM 1769 CD GLU B 8 8.272 9.066 -9.067 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.884 9.241 -10.108 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.117 8.679 -9.013 1.00 0.00 O ATOM 0 H GLU B 8 10.210 9.216 -5.893 1.00 0.00 H new ATOM 0 HA GLU B 8 10.310 12.136 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.672 11.452 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.348 10.955 -8.293 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.865 8.700 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.340 9.136 -6.907 1.00 0.00 H new ATOM 1778 N GLY B 9 8.329 11.722 -4.300 1.00 0.00 N ATOM 1779 CA GLY B 9 7.066 12.088 -3.606 1.00 0.00 C ATOM 1780 C GLY B 9 6.816 13.583 -3.877 1.00 0.00 C ATOM 1781 O GLY B 9 6.837 13.981 -5.027 1.00 0.00 O ATOM 0 H GLY B 9 9.140 11.596 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.236 11.486 -3.975 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.146 11.899 -2.536 1.00 0.00 H new ATOM 1785 N PRO B 10 6.617 14.400 -2.855 1.00 0.00 N ATOM 1786 CA PRO B 10 6.412 15.843 -3.082 1.00 0.00 C ATOM 1787 C PRO B 10 7.706 16.468 -3.632 1.00 0.00 C ATOM 1788 O PRO B 10 7.953 17.649 -3.475 1.00 0.00 O ATOM 1789 CB PRO B 10 6.067 16.420 -1.691 1.00 0.00 C ATOM 1790 CG PRO B 10 6.192 15.264 -0.659 1.00 0.00 C ATOM 1791 CD PRO B 10 6.564 13.984 -1.436 1.00 0.00 C ATOM 0 HA PRO B 10 5.625 16.050 -3.807 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.744 17.236 -1.436 1.00 0.00 H new ATOM 0 HB3 PRO B 10 5.057 16.830 -1.686 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.954 15.496 0.085 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.253 15.127 -0.122 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.523 13.586 -1.105 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.823 13.199 -1.282 1.00 0.00 H new ATOM 1799 N SER B 11 8.535 15.673 -4.258 1.00 0.00 N ATOM 1800 CA SER B 11 9.828 16.185 -4.807 1.00 0.00 C ATOM 1801 C SER B 11 9.712 16.406 -6.318 1.00 0.00 C ATOM 1802 O SER B 11 10.675 16.752 -6.974 1.00 0.00 O ATOM 1803 CB SER B 11 10.920 15.146 -4.535 1.00 0.00 C ATOM 1804 OG SER B 11 12.192 15.721 -4.804 1.00 0.00 O ATOM 0 H SER B 11 8.370 14.679 -4.414 1.00 0.00 H new ATOM 0 HA SER B 11 10.074 17.133 -4.329 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.871 14.812 -3.499 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.766 14.267 -5.161 1.00 0.00 H new ATOM 0 HG SER B 11 12.129 16.302 -5.590 1.00 0.00 H new ATOM 1810 N HIS B 12 8.546 16.207 -6.880 1.00 0.00 N ATOM 1811 CA HIS B 12 8.373 16.401 -8.355 1.00 0.00 C ATOM 1812 C HIS B 12 7.016 17.054 -8.629 1.00 0.00 C ATOM 1813 O HIS B 12 6.214 17.240 -7.736 1.00 0.00 O ATOM 1814 CB HIS B 12 8.437 15.041 -9.056 1.00 0.00 C ATOM 1815 CG HIS B 12 8.487 15.243 -10.546 1.00 0.00 C ATOM 1816 ND1 HIS B 12 9.527 15.914 -11.166 1.00 0.00 N ATOM 1817 CD2 HIS B 12 7.631 14.863 -11.552 1.00 0.00 C ATOM 1818 CE1 HIS B 12 9.275 15.919 -12.489 1.00 0.00 C ATOM 1819 NE2 HIS B 12 8.132 15.292 -12.778 1.00 0.00 N ATOM 0 H HIS B 12 7.704 15.918 -6.381 1.00 0.00 H new ATOM 0 HA HIS B 12 9.167 17.044 -8.734 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.317 14.490 -8.724 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.567 14.442 -8.789 1.00 0.00 H new ATOM 0 HD2 HIS B 12 6.711 14.315 -11.413 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.919 16.375 -13.227 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.715 15.156 -13.699 1.00 0.00 H new ATOM 1827 N GLY B 13 6.756 17.405 -9.860 1.00 0.00 N ATOM 1828 CA GLY B 13 5.454 18.052 -10.197 1.00 0.00 C ATOM 1829 C GLY B 13 4.303 17.244 -9.595 1.00 0.00 C ATOM 1830 O GLY B 13 4.300 16.036 -9.758 1.00 0.00 O ATOM 1831 OXT GLY B 13 3.438 17.851 -8.982 1.00 0.00 O ATOM 0 H GLY B 13 7.390 17.272 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY B 13 5.434 19.072 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY B 13 5.339 18.116 -11.279 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.777 -10.364 -1.627 1.00 0.24 O HETATM 1839 O HOH A 107 9.203 -3.532 5.015 1.00 0.40 O HETATM 1842 O HOH A 108 12.525 1.389 2.081 1.00 0.32 O HETATM 1845 O HOH A 109 -8.944 -8.764 -0.279 1.00 0.26 O HETATM 1848 O HOH A 110 -7.477 -12.885 0.627 1.00 0.21 O HETATM 1851 O HOH A 111 -12.606 -3.138 0.326 1.00 0.37 O