USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -51:sc= 0.116! USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.7) USER MOD Set 3.1: A 13 ASN : amide:sc= 0.0749 X(o=0.16,f=0) USER MOD Set 3.2: A 16 HIS : no HD1:sc= 0.0848 X(o=0.16,f=0) USER MOD Set 4.1: A 12 SER OG : rot 13:sc= -2.25! USER MOD Set 4.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ 150:sc= -0.327 (180deg=-0.815) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 40:sc= 0.00551 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -0.133 (180deg=-0.494) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0173 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -150:sc= -0.146 (180deg=-0.837) USER MOD Single : A 36 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 38 SER OG : rot 153:sc= 0.0667 USER MOD Single : A 44 MET CE :methyl -133:sc= -3.35! (180deg=-7.55!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.801 USER MOD Single : A 61 GLN : amide:sc= -0.226 K(o=-0.23,f=-1) USER MOD Single : A 65 ASN : amide:sc= -0.0443 K(o=-0.044,f=-0.59) USER MOD Single : A 70 THR OG1 : rot -69:sc= 0.197 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 30:sc= -0.0343 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.082 19.611 25.383 1.00 0.00 N ATOM 2 CA VAL A 1 -4.550 18.768 26.491 1.00 0.00 C ATOM 3 C VAL A 1 -3.033 18.895 26.568 1.00 0.00 C ATOM 4 O VAL A 1 -2.305 18.037 26.068 1.00 0.00 O ATOM 5 CB VAL A 1 -4.931 17.304 26.291 1.00 0.00 C ATOM 6 CG1 VAL A 1 -6.410 17.088 26.598 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.610 16.859 24.867 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.947 19.178 25.002 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.300 20.562 25.744 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.370 19.683 24.629 1.00 0.00 H new ATOM 0 HA VAL A 1 -4.990 19.120 27.424 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.345 16.698 26.982 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -6.663 16.038 26.450 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -6.611 17.367 27.632 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -7.014 17.704 25.932 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.888 15.813 24.741 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.170 17.471 24.160 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.542 16.976 24.681 1.00 0.00 H new ATOM 19 N PRO A 2 -2.534 19.972 27.198 1.00 0.00 N ATOM 20 CA PRO A 2 -1.091 20.210 27.338 1.00 0.00 C ATOM 21 C PRO A 2 -0.466 19.324 28.411 1.00 0.00 C ATOM 22 O PRO A 2 -1.035 19.142 29.487 1.00 0.00 O ATOM 23 CB PRO A 2 -0.996 21.678 27.729 1.00 0.00 C ATOM 24 CG PRO A 2 -2.305 22.007 28.371 1.00 0.00 C ATOM 25 CD PRO A 2 -3.331 21.043 27.822 1.00 0.00 C ATOM 0 HA PRO A 2 -0.550 19.975 26.421 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -0.168 21.848 28.417 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.819 22.306 26.856 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.235 21.917 29.455 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.591 23.036 28.155 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -3.971 20.652 28.613 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.982 21.528 27.095 1.00 0.00 H new ATOM 33 N LYS A 3 0.706 18.775 28.109 1.00 0.00 N ATOM 34 CA LYS A 3 1.410 17.905 29.047 1.00 0.00 C ATOM 35 C LYS A 3 2.843 18.383 29.243 1.00 0.00 C ATOM 36 O LYS A 3 3.784 17.782 28.724 1.00 0.00 O ATOM 37 CB LYS A 3 1.406 16.471 28.527 1.00 0.00 C ATOM 38 CG LYS A 3 -0.008 16.012 28.182 1.00 0.00 C ATOM 39 CD LYS A 3 0.012 14.851 27.191 1.00 0.00 C ATOM 40 CE LYS A 3 0.488 15.307 25.815 1.00 0.00 C ATOM 41 NZ LYS A 3 -0.316 14.676 24.729 1.00 0.00 N ATOM 0 H LYS A 3 1.189 18.917 27.222 1.00 0.00 H new ATOM 0 HA LYS A 3 0.897 17.939 30.008 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.040 16.400 27.643 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.833 15.808 29.279 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.526 15.708 29.092 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.570 16.845 27.759 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.668 14.064 27.563 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.987 14.422 27.109 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.413 16.392 25.743 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.540 15.051 25.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.030 15.005 23.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.224 13.642 24.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.316 14.941 24.838 1.00 0.00 H new ATOM 55 N VAL A 4 3.003 19.468 29.994 1.00 0.00 N ATOM 56 CA VAL A 4 4.324 20.031 30.259 1.00 0.00 C ATOM 57 C VAL A 4 5.214 18.997 30.935 1.00 0.00 C ATOM 58 O VAL A 4 4.739 17.988 31.456 1.00 0.00 O ATOM 59 CB VAL A 4 4.193 21.287 31.130 1.00 0.00 C ATOM 60 CG1 VAL A 4 3.209 21.048 32.271 1.00 0.00 C ATOM 61 CG2 VAL A 4 5.544 21.750 31.682 1.00 0.00 C ATOM 0 H VAL A 4 2.234 19.976 30.431 1.00 0.00 H new ATOM 0 HA VAL A 4 4.786 20.311 29.313 1.00 0.00 H new ATOM 0 HB VAL A 4 3.811 22.083 30.491 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.129 21.950 32.878 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.230 20.799 31.861 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.563 20.224 32.890 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.401 22.642 32.292 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.978 20.958 32.292 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.216 21.980 30.855 1.00 0.00 H new ATOM 71 N THR A 5 6.510 19.268 30.918 1.00 0.00 N ATOM 72 CA THR A 5 7.494 18.378 31.525 1.00 0.00 C ATOM 73 C THR A 5 8.672 19.177 32.067 1.00 0.00 C ATOM 74 O THR A 5 9.236 20.019 31.369 1.00 0.00 O ATOM 75 CB THR A 5 7.983 17.365 30.494 1.00 0.00 C ATOM 76 OG1 THR A 5 8.196 18.007 29.246 1.00 0.00 O ATOM 77 CG2 THR A 5 6.977 16.229 30.334 1.00 0.00 C ATOM 0 H THR A 5 6.909 20.102 30.488 1.00 0.00 H new ATOM 0 HA THR A 5 7.022 17.849 32.353 1.00 0.00 H new ATOM 0 HB THR A 5 8.925 16.943 30.844 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.601 18.887 29.396 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.345 15.518 29.594 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.845 15.722 31.290 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.021 16.634 30.003 1.00 0.00 H new ATOM 85 N PHE A 6 9.039 18.906 33.315 1.00 0.00 N ATOM 86 CA PHE A 6 10.152 19.599 33.956 1.00 0.00 C ATOM 87 C PHE A 6 11.411 18.744 33.895 1.00 0.00 C ATOM 88 O PHE A 6 11.375 17.602 33.437 1.00 0.00 O ATOM 89 CB PHE A 6 9.803 19.909 35.409 1.00 0.00 C ATOM 90 CG PHE A 6 8.614 20.827 35.544 1.00 0.00 C ATOM 91 CD1 PHE A 6 7.352 20.383 35.185 1.00 0.00 C ATOM 92 CD2 PHE A 6 8.782 22.114 36.027 1.00 0.00 C ATOM 93 CE1 PHE A 6 6.259 21.225 35.309 1.00 0.00 C ATOM 94 CE2 PHE A 6 7.689 22.956 36.151 1.00 0.00 C ATOM 95 CZ PHE A 6 6.428 22.512 35.792 1.00 0.00 C ATOM 0 H PHE A 6 8.581 18.210 33.904 1.00 0.00 H new ATOM 0 HA PHE A 6 10.337 20.533 33.426 1.00 0.00 H new ATOM 0 HB2 PHE A 6 9.597 18.977 35.935 1.00 0.00 H new ATOM 0 HB3 PHE A 6 10.665 20.366 35.895 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.220 19.380 34.808 1.00 0.00 H new ATOM 0 HD2 PHE A 6 9.766 22.461 36.307 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.275 20.878 35.029 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.821 23.959 36.528 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.576 23.169 35.889 1.00 0.00 H new ATOM 105 N THR A 7 12.525 19.303 34.359 1.00 0.00 N ATOM 106 CA THR A 7 13.799 18.589 34.356 1.00 0.00 C ATOM 107 C THR A 7 14.814 19.315 35.231 1.00 0.00 C ATOM 108 O THR A 7 15.313 20.380 34.867 1.00 0.00 O ATOM 109 CB THR A 7 14.332 18.471 32.930 1.00 0.00 C ATOM 110 OG1 THR A 7 13.259 18.252 32.027 1.00 0.00 O ATOM 111 CG2 THR A 7 15.344 17.334 32.822 1.00 0.00 C ATOM 0 H THR A 7 12.572 20.247 34.742 1.00 0.00 H new ATOM 0 HA THR A 7 13.638 17.589 34.759 1.00 0.00 H new ATOM 0 HB THR A 7 14.833 19.404 32.672 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.711 17.504 32.345 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.710 17.269 31.797 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.180 17.526 33.495 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.866 16.394 33.097 1.00 0.00 H new ATOM 119 N VAL A 8 15.113 18.732 36.386 1.00 0.00 N ATOM 120 CA VAL A 8 16.069 19.319 37.319 1.00 0.00 C ATOM 121 C VAL A 8 17.403 19.566 36.627 1.00 0.00 C ATOM 122 O VAL A 8 18.205 18.648 36.458 1.00 0.00 O ATOM 123 CB VAL A 8 16.261 18.392 38.513 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.202 19.021 39.536 1.00 0.00 C ATOM 125 CG2 VAL A 8 14.914 18.065 39.152 1.00 0.00 C ATOM 0 H VAL A 8 14.706 17.851 36.700 1.00 0.00 H new ATOM 0 HA VAL A 8 15.678 20.275 37.668 1.00 0.00 H new ATOM 0 HB VAL A 8 16.712 17.464 38.161 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.326 18.344 40.381 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.172 19.206 39.073 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.782 19.964 39.886 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.067 17.402 40.004 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.438 18.986 39.490 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.274 17.573 38.420 1.00 0.00 H new ATOM 135 N GLU A 9 17.632 20.811 36.226 1.00 0.00 N ATOM 136 CA GLU A 9 18.868 21.184 35.547 1.00 0.00 C ATOM 137 C GLU A 9 20.035 21.192 36.525 1.00 0.00 C ATOM 138 O GLU A 9 19.853 21.006 37.729 1.00 0.00 O ATOM 139 CB GLU A 9 18.715 22.562 34.910 1.00 0.00 C ATOM 140 CG GLU A 9 17.946 22.478 33.596 1.00 0.00 C ATOM 141 CD GLU A 9 18.698 23.217 32.497 1.00 0.00 C ATOM 142 OE1 GLU A 9 19.052 24.397 32.708 1.00 0.00 O ATOM 143 OE2 GLU A 9 18.934 22.616 31.428 1.00 0.00 O ATOM 0 H GLU A 9 16.977 21.581 36.360 1.00 0.00 H new ATOM 0 HA GLU A 9 19.072 20.448 34.769 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.194 23.228 35.598 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.699 22.995 34.732 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.808 21.434 33.313 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.952 22.909 33.720 1.00 0.00 H new ATOM 150 N LYS A 10 21.236 21.407 35.999 1.00 0.00 N ATOM 151 CA LYS A 10 22.441 21.440 36.820 1.00 0.00 C ATOM 152 C LYS A 10 22.395 22.620 37.783 1.00 0.00 C ATOM 153 O LYS A 10 21.443 23.399 37.780 1.00 0.00 O ATOM 154 CB LYS A 10 23.675 21.544 35.928 1.00 0.00 C ATOM 155 CG LYS A 10 24.274 20.169 35.649 1.00 0.00 C ATOM 156 CD LYS A 10 24.525 19.967 34.157 1.00 0.00 C ATOM 157 CE LYS A 10 26.004 20.136 33.818 1.00 0.00 C ATOM 158 NZ LYS A 10 26.372 21.575 33.695 1.00 0.00 N ATOM 0 H LYS A 10 21.401 21.562 35.004 1.00 0.00 H new ATOM 0 HA LYS A 10 22.495 20.518 37.399 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.407 22.024 34.987 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.421 22.178 36.408 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.211 20.060 36.196 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.599 19.395 36.015 1.00 0.00 H new ATOM 0 HD2 LYS A 10 24.193 18.972 33.861 1.00 0.00 H new ATOM 0 HD3 LYS A 10 23.934 20.683 33.586 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.612 19.668 34.592 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.226 19.621 32.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.383 21.656 33.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.808 22.014 32.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 26.182 22.060 34.595 1.00 0.00 H new ATOM 172 N GLY A 11 23.430 22.746 38.607 1.00 0.00 N ATOM 173 CA GLY A 11 23.510 23.833 39.577 1.00 0.00 C ATOM 174 C GLY A 11 22.438 23.681 40.649 1.00 0.00 C ATOM 175 O GLY A 11 22.000 24.664 41.246 1.00 0.00 O ATOM 0 H GLY A 11 24.226 22.108 38.623 1.00 0.00 H new ATOM 0 HA2 GLY A 11 24.496 23.841 40.041 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.389 24.790 39.069 1.00 0.00 H new ATOM 179 N SER A 12 22.018 22.443 40.888 1.00 0.00 N ATOM 180 CA SER A 12 20.995 22.161 41.889 1.00 0.00 C ATOM 181 C SER A 12 21.631 21.967 43.260 1.00 0.00 C ATOM 182 O SER A 12 22.299 20.963 43.508 1.00 0.00 O ATOM 183 CB SER A 12 20.217 20.910 41.495 1.00 0.00 C ATOM 184 OG SER A 12 21.043 19.760 41.585 1.00 0.00 O ATOM 0 H SER A 12 22.370 21.618 40.402 1.00 0.00 H new ATOM 0 HA SER A 12 20.311 23.008 41.939 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.350 20.794 42.146 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.840 21.015 40.478 1.00 0.00 H new ATOM 0 HG SER A 12 21.865 19.984 42.070 1.00 0.00 H new ATOM 190 N ASN A 13 21.416 22.933 44.148 1.00 0.00 N ATOM 191 CA ASN A 13 21.965 22.868 45.498 1.00 0.00 C ATOM 192 C ASN A 13 20.843 22.710 46.516 1.00 0.00 C ATOM 193 O ASN A 13 19.723 22.338 46.165 1.00 0.00 O ATOM 194 CB ASN A 13 22.767 24.132 45.798 1.00 0.00 C ATOM 195 CG ASN A 13 23.688 24.462 44.631 1.00 0.00 C ATOM 196 OD1 ASN A 13 24.532 23.653 44.246 1.00 0.00 O ATOM 197 ND2 ASN A 13 23.526 25.653 44.065 1.00 0.00 N ATOM 0 H ASN A 13 20.865 23.770 43.957 1.00 0.00 H new ATOM 0 HA ASN A 13 22.626 22.004 45.566 1.00 0.00 H new ATOM 0 HB2 ASN A 13 22.089 24.966 45.983 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.354 23.992 46.705 1.00 0.00 H new ATOM 0 HD21 ASN A 13 24.114 25.928 43.278 1.00 0.00 H new ATOM 0 HD22 ASN A 13 22.813 26.292 44.417 1.00 0.00 H new ATOM 204 N GLU A 14 21.148 22.994 47.777 1.00 0.00 N ATOM 205 CA GLU A 14 20.163 22.883 48.847 1.00 0.00 C ATOM 206 C GLU A 14 19.048 23.903 48.651 1.00 0.00 C ATOM 207 O GLU A 14 17.879 23.541 48.516 1.00 0.00 O ATOM 208 CB GLU A 14 20.834 23.101 50.200 1.00 0.00 C ATOM 209 CG GLU A 14 21.916 22.056 50.456 1.00 0.00 C ATOM 210 CD GLU A 14 22.325 22.070 51.924 1.00 0.00 C ATOM 211 OE1 GLU A 14 21.429 22.019 52.792 1.00 0.00 O ATOM 212 OE2 GLU A 14 23.541 22.131 52.203 1.00 0.00 O ATOM 0 H GLU A 14 22.070 23.303 48.084 1.00 0.00 H new ATOM 0 HA GLU A 14 19.731 21.883 48.819 1.00 0.00 H new ATOM 0 HB2 GLU A 14 21.273 24.098 50.234 1.00 0.00 H new ATOM 0 HB3 GLU A 14 20.086 23.055 50.991 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.548 21.067 50.183 1.00 0.00 H new ATOM 0 HG3 GLU A 14 22.783 22.258 49.827 1.00 0.00 H new ATOM 219 N LYS A 15 19.415 25.180 48.641 1.00 0.00 N ATOM 220 CA LYS A 15 18.447 26.256 48.468 1.00 0.00 C ATOM 221 C LYS A 15 18.351 26.672 47.002 1.00 0.00 C ATOM 222 O LYS A 15 17.894 27.772 46.694 1.00 0.00 O ATOM 223 CB LYS A 15 18.863 27.452 49.314 1.00 0.00 C ATOM 224 CG LYS A 15 20.343 27.768 49.119 1.00 0.00 C ATOM 225 CD LYS A 15 20.670 29.176 49.586 1.00 0.00 C ATOM 226 CE LYS A 15 20.020 30.213 48.679 1.00 0.00 C ATOM 227 NZ LYS A 15 19.443 31.340 49.467 1.00 0.00 N ATOM 0 H LYS A 15 20.379 25.495 48.751 1.00 0.00 H new ATOM 0 HA LYS A 15 17.468 25.898 48.788 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.263 28.321 49.043 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.667 27.244 50.366 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.947 27.049 49.672 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.605 27.661 48.066 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.323 29.314 50.610 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.750 29.319 49.594 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.759 30.599 47.977 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.235 29.741 48.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.008 32.029 48.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.721 30.973 50.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.197 31.805 50.012 1.00 0.00 H new ATOM 241 N HIS A 16 18.781 25.793 46.101 1.00 0.00 N ATOM 242 CA HIS A 16 18.738 26.086 44.671 1.00 0.00 C ATOM 243 C HIS A 16 18.042 24.961 43.918 1.00 0.00 C ATOM 244 O HIS A 16 18.557 23.846 43.831 1.00 0.00 O ATOM 245 CB HIS A 16 20.153 26.271 44.132 1.00 0.00 C ATOM 246 CG HIS A 16 20.681 27.655 44.349 1.00 0.00 C ATOM 247 ND1 HIS A 16 21.591 27.969 45.325 1.00 0.00 N ATOM 248 CD2 HIS A 16 20.432 28.829 43.713 1.00 0.00 C ATOM 249 CE1 HIS A 16 21.888 29.248 45.298 1.00 0.00 C ATOM 250 NE2 HIS A 16 21.195 29.809 44.321 1.00 0.00 N ATOM 0 H HIS A 16 19.162 24.876 46.334 1.00 0.00 H new ATOM 0 HA HIS A 16 18.175 27.008 44.523 1.00 0.00 H new ATOM 0 HB2 HIS A 16 20.817 25.554 44.615 1.00 0.00 H new ATOM 0 HB3 HIS A 16 20.163 26.047 43.065 1.00 0.00 H new ATOM 0 HD2 HIS A 16 19.758 28.972 42.881 1.00 0.00 H new ATOM 0 HE1 HIS A 16 22.577 29.753 45.958 1.00 0.00 H new ATOM 0 HE2 HIS A 16 21.219 30.795 44.061 1.00 0.00 H new ATOM 258 N LEU A 17 16.868 25.260 43.372 1.00 0.00 N ATOM 259 CA LEU A 17 16.098 24.273 42.623 1.00 0.00 C ATOM 260 C LEU A 17 15.903 24.736 41.185 1.00 0.00 C ATOM 261 O LEU A 17 15.026 25.549 40.896 1.00 0.00 O ATOM 262 CB LEU A 17 14.742 24.055 43.291 1.00 0.00 C ATOM 263 CG LEU A 17 14.373 22.574 43.338 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.122 22.037 41.933 1.00 0.00 C ATOM 265 CD2 LEU A 17 15.470 21.767 44.029 1.00 0.00 C ATOM 0 H LEU A 17 16.429 26.178 43.434 1.00 0.00 H new ATOM 0 HA LEU A 17 16.647 23.331 42.615 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.765 24.458 44.304 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.974 24.605 42.747 1.00 0.00 H new ATOM 0 HG LEU A 17 13.454 22.471 43.915 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.861 20.980 41.989 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.303 22.590 41.473 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.023 22.157 41.331 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.188 20.714 44.052 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.405 21.880 43.480 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.601 22.130 45.048 1.00 0.00 H new ATOM 277 N ALA A 18 16.728 24.209 40.287 1.00 0.00 N ATOM 278 CA ALA A 18 16.651 24.562 38.872 1.00 0.00 C ATOM 279 C ALA A 18 15.807 23.541 38.121 1.00 0.00 C ATOM 280 O ALA A 18 15.991 22.335 38.281 1.00 0.00 O ATOM 281 CB ALA A 18 18.053 24.617 38.272 1.00 0.00 C ATOM 0 H ALA A 18 17.459 23.535 40.513 1.00 0.00 H new ATOM 0 HA ALA A 18 16.184 25.543 38.780 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.987 24.881 37.216 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.644 25.367 38.797 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.531 23.642 38.373 1.00 0.00 H new ATOM 287 N VAL A 19 14.881 24.029 37.303 1.00 0.00 N ATOM 288 CA VAL A 19 14.007 23.155 36.526 1.00 0.00 C ATOM 289 C VAL A 19 13.954 23.611 35.074 1.00 0.00 C ATOM 290 O VAL A 19 13.857 24.805 34.792 1.00 0.00 O ATOM 291 CB VAL A 19 12.602 23.160 37.123 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.636 22.712 38.580 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.975 24.547 37.004 1.00 0.00 C ATOM 0 H VAL A 19 14.715 25.025 37.160 1.00 0.00 H new ATOM 0 HA VAL A 19 14.408 22.142 36.560 1.00 0.00 H new ATOM 0 HB VAL A 19 11.989 22.455 36.562 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.625 22.722 38.988 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.041 21.702 38.641 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.266 23.391 39.155 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.974 24.532 37.435 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.589 25.271 37.539 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.914 24.830 35.953 1.00 0.00 H new ATOM 303 N LEU A 20 14.014 22.655 34.154 1.00 0.00 N ATOM 304 CA LEU A 20 13.969 22.961 32.729 1.00 0.00 C ATOM 305 C LEU A 20 12.527 23.014 32.243 1.00 0.00 C ATOM 306 O LEU A 20 11.966 22.003 31.822 1.00 0.00 O ATOM 307 CB LEU A 20 14.747 21.910 31.944 1.00 0.00 C ATOM 308 CG LEU A 20 15.608 22.558 30.864 1.00 0.00 C ATOM 309 CD1 LEU A 20 16.380 21.497 30.085 1.00 0.00 C ATOM 310 CD2 LEU A 20 14.743 23.391 29.922 1.00 0.00 C ATOM 0 H LEU A 20 14.094 21.661 34.369 1.00 0.00 H new ATOM 0 HA LEU A 20 14.427 23.937 32.567 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.379 21.338 32.623 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.053 21.206 31.486 1.00 0.00 H new ATOM 0 HG LEU A 20 16.328 23.219 31.347 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.988 21.978 29.319 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.026 20.943 30.766 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.678 20.810 29.612 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.372 23.847 29.157 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.001 22.749 29.446 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.237 24.173 30.488 1.00 0.00 H new ATOM 322 N VAL A 21 11.931 24.201 32.304 1.00 0.00 N ATOM 323 CA VAL A 21 10.551 24.391 31.871 1.00 0.00 C ATOM 324 C VAL A 21 10.505 24.762 30.395 1.00 0.00 C ATOM 325 O VAL A 21 10.752 25.910 30.025 1.00 0.00 O ATOM 326 CB VAL A 21 9.892 25.486 32.705 1.00 0.00 C ATOM 327 CG1 VAL A 21 8.406 25.590 32.376 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.092 25.217 34.194 1.00 0.00 C ATOM 0 H VAL A 21 12.383 25.047 32.650 1.00 0.00 H new ATOM 0 HA VAL A 21 10.007 23.457 32.013 1.00 0.00 H new ATOM 0 HB VAL A 21 10.365 26.437 32.459 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.954 26.376 32.981 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.283 25.829 31.320 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.918 24.640 32.592 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.616 26.008 34.774 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.645 24.257 34.454 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.158 25.194 34.420 1.00 0.00 H new ATOM 338 N LYS A 22 10.188 23.783 29.554 1.00 0.00 N ATOM 339 CA LYS A 22 10.110 24.003 28.113 1.00 0.00 C ATOM 340 C LYS A 22 9.595 22.751 27.413 1.00 0.00 C ATOM 341 O LYS A 22 9.901 21.631 27.820 1.00 0.00 O ATOM 342 CB LYS A 22 11.487 24.373 27.570 1.00 0.00 C ATOM 343 CG LYS A 22 11.376 25.169 26.273 1.00 0.00 C ATOM 344 CD LYS A 22 12.276 26.400 26.302 1.00 0.00 C ATOM 345 CE LYS A 22 13.672 26.076 25.778 1.00 0.00 C ATOM 346 NZ LYS A 22 14.390 25.143 26.692 1.00 0.00 N ATOM 0 H LYS A 22 9.981 22.828 29.845 1.00 0.00 H new ATOM 0 HA LYS A 22 9.417 24.822 27.920 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.028 24.958 28.313 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.067 23.467 27.395 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.650 24.535 25.430 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.341 25.475 26.119 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.833 27.192 25.698 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.346 26.778 27.322 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.596 25.630 24.786 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.245 26.997 25.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.401 25.126 26.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.278 25.465 27.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.994 24.187 26.593 1.00 0.00 H new ATOM 360 N TYR A 23 8.809 22.948 26.359 1.00 0.00 N ATOM 361 CA TYR A 23 8.248 21.832 25.602 1.00 0.00 C ATOM 362 C TYR A 23 7.855 22.282 24.200 1.00 0.00 C ATOM 363 O TYR A 23 6.682 22.233 23.830 1.00 0.00 O ATOM 364 CB TYR A 23 7.029 21.270 26.329 1.00 0.00 C ATOM 365 CG TYR A 23 6.166 22.338 26.946 1.00 0.00 C ATOM 366 CD1 TYR A 23 5.146 22.913 26.211 1.00 0.00 C ATOM 367 CD2 TYR A 23 6.392 22.742 28.249 1.00 0.00 C ATOM 368 CE1 TYR A 23 4.351 23.893 26.780 1.00 0.00 C ATOM 369 CE2 TYR A 23 5.597 23.722 28.816 1.00 0.00 C ATOM 370 CZ TYR A 23 4.580 24.293 28.079 1.00 0.00 C ATOM 371 OH TYR A 23 3.789 25.267 28.644 1.00 0.00 O ATOM 0 H TYR A 23 8.546 23.869 26.009 1.00 0.00 H new ATOM 0 HA TYR A 23 9.006 21.053 25.518 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.431 20.688 25.627 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.362 20.585 27.109 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.969 22.598 25.193 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.189 22.293 28.824 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.553 24.343 26.208 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.772 24.039 29.833 1.00 0.00 H new ATOM 0 HH TYR A 23 4.081 25.432 29.565 1.00 0.00 H new ATOM 381 N GLU A 24 8.843 22.712 23.421 1.00 0.00 N ATOM 382 CA GLU A 24 8.608 23.166 22.055 1.00 0.00 C ATOM 383 C GLU A 24 7.751 24.428 22.044 1.00 0.00 C ATOM 384 O GLU A 24 8.241 25.517 21.745 1.00 0.00 O ATOM 385 CB GLU A 24 7.926 22.062 21.256 1.00 0.00 C ATOM 386 CG GLU A 24 7.786 22.447 19.786 1.00 0.00 C ATOM 387 CD GLU A 24 8.318 21.332 18.896 1.00 0.00 C ATOM 388 OE1 GLU A 24 9.546 21.104 18.896 1.00 0.00 O ATOM 389 OE2 GLU A 24 7.506 20.688 18.199 1.00 0.00 O ATOM 0 H GLU A 24 9.819 22.755 23.715 1.00 0.00 H new ATOM 0 HA GLU A 24 9.568 23.402 21.596 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.502 21.141 21.340 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.941 21.861 21.677 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.739 22.641 19.552 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.332 23.370 19.591 1.00 0.00 H new ATOM 396 N GLY A 25 6.472 24.277 22.370 1.00 0.00 N ATOM 397 CA GLY A 25 5.549 25.407 22.394 1.00 0.00 C ATOM 398 C GLY A 25 5.786 26.273 23.625 1.00 0.00 C ATOM 399 O GLY A 25 6.849 26.213 24.243 1.00 0.00 O ATOM 0 H GLY A 25 6.050 23.383 22.621 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.677 26.006 21.492 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.521 25.043 22.392 1.00 0.00 H new ATOM 403 N ASP A 26 4.788 27.079 23.976 1.00 0.00 N ATOM 404 CA ASP A 26 4.884 27.961 25.135 1.00 0.00 C ATOM 405 C ASP A 26 5.974 29.004 24.919 1.00 0.00 C ATOM 406 O ASP A 26 7.111 28.668 24.586 1.00 0.00 O ATOM 407 CB ASP A 26 5.185 27.143 26.388 1.00 0.00 C ATOM 408 CG ASP A 26 5.121 28.029 27.625 1.00 0.00 C ATOM 409 OD1 ASP A 26 4.500 29.110 27.551 1.00 0.00 O ATOM 410 OD2 ASP A 26 5.690 27.641 28.666 1.00 0.00 O ATOM 0 H ASP A 26 3.902 27.140 23.474 1.00 0.00 H new ATOM 0 HA ASP A 26 3.931 28.474 25.264 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.468 26.327 26.479 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.173 26.691 26.307 1.00 0.00 H new ATOM 415 N THR A 27 5.620 30.272 25.108 1.00 0.00 N ATOM 416 CA THR A 27 6.570 31.367 24.932 1.00 0.00 C ATOM 417 C THR A 27 6.919 31.993 26.275 1.00 0.00 C ATOM 418 O THR A 27 7.149 33.199 26.371 1.00 0.00 O ATOM 419 CB THR A 27 5.983 32.425 24.005 1.00 0.00 C ATOM 420 OG1 THR A 27 5.551 31.825 22.793 1.00 0.00 O ATOM 421 CG2 THR A 27 7.013 33.511 23.715 1.00 0.00 C ATOM 0 H THR A 27 4.683 30.567 25.383 1.00 0.00 H new ATOM 0 HA THR A 27 7.480 30.966 24.487 1.00 0.00 H new ATOM 0 HB THR A 27 5.126 32.883 24.499 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.174 32.512 22.204 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.577 34.258 23.052 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.314 33.986 24.649 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.886 33.066 23.237 1.00 0.00 H new ATOM 429 N MET A 28 6.962 31.164 27.309 1.00 0.00 N ATOM 430 CA MET A 28 7.292 31.623 28.656 1.00 0.00 C ATOM 431 C MET A 28 6.468 32.846 29.033 1.00 0.00 C ATOM 432 O MET A 28 5.621 33.301 28.267 1.00 0.00 O ATOM 433 CB MET A 28 8.776 31.959 28.738 1.00 0.00 C ATOM 434 CG MET A 28 9.633 30.813 28.207 1.00 0.00 C ATOM 435 SD MET A 28 10.903 31.378 27.063 1.00 0.00 S ATOM 436 CE MET A 28 10.341 30.619 25.530 1.00 0.00 C ATOM 0 H MET A 28 6.772 30.164 27.242 1.00 0.00 H new ATOM 0 HA MET A 28 7.059 30.821 29.357 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.979 32.864 28.165 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.047 32.170 29.773 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.105 30.298 29.044 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.993 30.087 27.706 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.200 30.404 24.894 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.815 29.691 25.755 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.668 31.302 25.012 1.00 0.00 H new ATOM 446 N ALA A 29 6.729 33.375 30.227 1.00 0.00 N ATOM 447 CA ALA A 29 6.024 34.552 30.728 1.00 0.00 C ATOM 448 C ALA A 29 6.326 34.755 32.207 1.00 0.00 C ATOM 449 O ALA A 29 6.959 35.736 32.596 1.00 0.00 O ATOM 450 CB ALA A 29 4.521 34.398 30.531 1.00 0.00 C ATOM 0 H ALA A 29 7.429 33.003 30.869 1.00 0.00 H new ATOM 0 HA ALA A 29 6.367 35.421 30.167 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.012 35.284 30.910 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.303 34.280 29.469 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.171 33.519 31.073 1.00 0.00 H new ATOM 456 N GLU A 30 5.868 33.813 33.025 1.00 0.00 N ATOM 457 CA GLU A 30 6.081 33.869 34.468 1.00 0.00 C ATOM 458 C GLU A 30 6.039 32.461 35.049 1.00 0.00 C ATOM 459 O GLU A 30 5.424 31.564 34.472 1.00 0.00 O ATOM 460 CB GLU A 30 5.010 34.738 35.123 1.00 0.00 C ATOM 461 CG GLU A 30 5.609 35.629 36.209 1.00 0.00 C ATOM 462 CD GLU A 30 4.844 36.944 36.295 1.00 0.00 C ATOM 463 OE1 GLU A 30 3.728 37.021 35.741 1.00 0.00 O ATOM 464 OE2 GLU A 30 5.364 37.895 36.917 1.00 0.00 O ATOM 0 H GLU A 30 5.344 32.996 32.711 1.00 0.00 H new ATOM 0 HA GLU A 30 7.058 34.308 34.667 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.527 35.357 34.367 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.237 34.103 35.556 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.574 35.116 37.170 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.659 35.825 35.991 1.00 0.00 H new ATOM 471 N VAL A 31 6.698 32.265 36.186 1.00 0.00 N ATOM 472 CA VAL A 31 6.731 30.953 36.825 1.00 0.00 C ATOM 473 C VAL A 31 6.829 31.083 38.337 1.00 0.00 C ATOM 474 O VAL A 31 7.335 32.077 38.858 1.00 0.00 O ATOM 475 CB VAL A 31 7.914 30.147 36.296 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.805 28.688 36.731 1.00 0.00 C ATOM 477 CG2 VAL A 31 7.996 30.249 34.775 1.00 0.00 C ATOM 0 H VAL A 31 7.214 32.992 36.682 1.00 0.00 H new ATOM 0 HA VAL A 31 5.802 30.435 36.586 1.00 0.00 H new ATOM 0 HB VAL A 31 8.829 30.564 36.717 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.657 28.129 36.345 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.798 28.632 37.820 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.882 28.260 36.340 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.846 29.668 34.417 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.078 29.860 34.334 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.123 31.292 34.487 1.00 0.00 H new ATOM 487 N GLU A 32 6.334 30.065 39.034 1.00 0.00 N ATOM 488 CA GLU A 32 6.350 30.038 40.484 1.00 0.00 C ATOM 489 C GLU A 32 6.108 28.617 40.979 1.00 0.00 C ATOM 490 O GLU A 32 5.396 27.843 40.340 1.00 0.00 O ATOM 491 CB GLU A 32 5.277 30.970 41.017 1.00 0.00 C ATOM 492 CG GLU A 32 3.886 30.524 40.577 1.00 0.00 C ATOM 493 CD GLU A 32 3.171 31.661 39.859 1.00 0.00 C ATOM 494 OE1 GLU A 32 3.145 32.785 40.402 1.00 0.00 O ATOM 495 OE2 GLU A 32 2.639 31.426 38.754 1.00 0.00 O ATOM 0 H GLU A 32 5.913 29.240 38.607 1.00 0.00 H new ATOM 0 HA GLU A 32 7.324 30.371 40.844 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.325 30.998 42.106 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.465 31.984 40.664 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.965 29.660 39.917 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.306 30.210 41.445 1.00 0.00 H new ATOM 502 N LEU A 33 6.709 28.273 42.114 1.00 0.00 N ATOM 503 CA LEU A 33 6.559 26.934 42.680 1.00 0.00 C ATOM 504 C LEU A 33 5.983 27.000 44.093 1.00 0.00 C ATOM 505 O LEU A 33 5.710 28.080 44.614 1.00 0.00 O ATOM 506 CB LEU A 33 7.912 26.222 42.686 1.00 0.00 C ATOM 507 CG LEU A 33 8.847 26.790 43.749 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.592 26.106 45.086 1.00 0.00 C ATOM 509 CD2 LEU A 33 10.305 26.622 43.329 1.00 0.00 C ATOM 0 H LEU A 33 7.302 28.899 42.659 1.00 0.00 H new ATOM 0 HA LEU A 33 5.861 26.370 42.061 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.762 25.157 42.866 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.377 26.317 41.705 1.00 0.00 H new ATOM 0 HG LEU A 33 8.647 27.856 43.857 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.264 26.518 45.839 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.559 26.275 45.390 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.770 25.035 44.987 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.956 27.033 44.101 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.525 25.563 43.195 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.476 27.150 42.391 1.00 0.00 H new ATOM 521 N ARG A 34 5.803 25.832 44.705 1.00 0.00 N ATOM 522 CA ARG A 34 5.263 25.744 46.060 1.00 0.00 C ATOM 523 C ARG A 34 6.095 24.776 46.893 1.00 0.00 C ATOM 524 O ARG A 34 6.910 24.026 46.357 1.00 0.00 O ATOM 525 CB ARG A 34 3.810 25.276 46.014 1.00 0.00 C ATOM 526 CG ARG A 34 2.983 25.924 47.123 1.00 0.00 C ATOM 527 CD ARG A 34 1.493 25.894 46.793 1.00 0.00 C ATOM 528 NE ARG A 34 0.706 25.741 48.012 1.00 0.00 N ATOM 529 CZ ARG A 34 -0.622 25.672 47.982 1.00 0.00 C ATOM 530 NH1 ARG A 34 -1.344 26.781 47.906 1.00 0.00 N ATOM 531 NH2 ARG A 34 -1.227 24.493 48.026 1.00 0.00 N ATOM 0 H ARG A 34 6.024 24.930 44.283 1.00 0.00 H new ATOM 0 HA ARG A 34 5.303 26.731 46.520 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.377 25.521 45.044 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.772 24.191 46.115 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.160 25.402 48.064 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.306 26.955 47.265 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.209 26.814 46.282 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.282 25.071 46.110 1.00 0.00 H new ATOM 0 HE ARG A 34 1.186 25.686 48.910 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.881 27.689 47.870 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.362 26.726 47.883 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.674 23.638 48.083 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.245 24.441 48.003 1.00 0.00 H new ATOM 545 N GLU A 35 5.888 24.794 48.205 1.00 0.00 N ATOM 546 CA GLU A 35 6.627 23.913 49.105 1.00 0.00 C ATOM 547 C GLU A 35 5.682 23.136 50.020 1.00 0.00 C ATOM 548 O GLU A 35 6.127 22.467 50.953 1.00 0.00 O ATOM 549 CB GLU A 35 7.603 24.734 49.943 1.00 0.00 C ATOM 550 CG GLU A 35 8.808 25.175 49.115 1.00 0.00 C ATOM 551 CD GLU A 35 9.139 26.634 49.400 1.00 0.00 C ATOM 552 OE1 GLU A 35 8.206 27.465 49.412 1.00 0.00 O ATOM 553 OE2 GLU A 35 10.330 26.945 49.609 1.00 0.00 O ATOM 0 H GLU A 35 5.217 25.406 48.669 1.00 0.00 H new ATOM 0 HA GLU A 35 7.179 23.193 48.500 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.094 25.610 50.344 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.940 24.144 50.795 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.668 24.547 49.349 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.597 25.043 48.054 1.00 0.00 H new ATOM 560 N HIS A 36 4.379 23.218 49.752 1.00 0.00 N ATOM 561 CA HIS A 36 3.388 22.514 50.557 1.00 0.00 C ATOM 562 C HIS A 36 3.316 23.108 51.959 1.00 0.00 C ATOM 563 O HIS A 36 2.310 23.707 52.338 1.00 0.00 O ATOM 564 CB HIS A 36 3.742 21.031 50.637 1.00 0.00 C ATOM 565 CG HIS A 36 2.586 20.179 51.060 1.00 0.00 C ATOM 566 ND1 HIS A 36 2.105 19.136 50.311 1.00 0.00 N ATOM 567 CD2 HIS A 36 1.800 20.205 52.167 1.00 0.00 C ATOM 568 CE1 HIS A 36 1.092 18.554 50.909 1.00 0.00 C ATOM 569 NE2 HIS A 36 0.875 19.183 52.052 1.00 0.00 N ATOM 0 H HIS A 36 3.988 23.765 48.985 1.00 0.00 H new ATOM 0 HA HIS A 36 2.413 22.625 50.083 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.098 20.694 49.663 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.563 20.896 51.341 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.882 20.899 52.990 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.533 17.709 50.533 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.150 18.954 52.732 1.00 0.00 H new ATOM 577 N GLY A 37 4.388 22.934 52.726 1.00 0.00 N ATOM 578 CA GLY A 37 4.447 23.450 54.090 1.00 0.00 C ATOM 579 C GLY A 37 4.096 24.932 54.128 1.00 0.00 C ATOM 580 O GLY A 37 3.222 25.352 54.886 1.00 0.00 O ATOM 0 H GLY A 37 5.228 22.439 52.426 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.757 22.893 54.724 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.447 23.299 54.497 1.00 0.00 H new ATOM 584 N SER A 38 4.784 25.721 53.309 1.00 0.00 N ATOM 585 CA SER A 38 4.547 27.161 53.251 1.00 0.00 C ATOM 586 C SER A 38 3.063 27.450 53.067 1.00 0.00 C ATOM 587 O SER A 38 2.566 28.491 53.497 1.00 0.00 O ATOM 588 CB SER A 38 5.344 27.775 52.103 1.00 0.00 C ATOM 589 OG SER A 38 6.734 27.565 52.293 1.00 0.00 O ATOM 0 H SER A 38 5.511 25.388 52.676 1.00 0.00 H new ATOM 0 HA SER A 38 4.874 27.605 54.191 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.030 27.333 51.157 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.137 28.843 52.040 1.00 0.00 H new ATOM 0 HG SER A 38 7.184 27.549 51.423 1.00 0.00 H new ATOM 595 N ASP A 39 2.359 26.524 52.425 1.00 0.00 N ATOM 596 CA ASP A 39 0.928 26.678 52.183 1.00 0.00 C ATOM 597 C ASP A 39 0.656 27.882 51.284 1.00 0.00 C ATOM 598 O ASP A 39 -0.464 28.392 51.243 1.00 0.00 O ATOM 599 CB ASP A 39 0.195 26.848 53.511 1.00 0.00 C ATOM 600 CG ASP A 39 -1.308 26.704 53.307 1.00 0.00 C ATOM 601 OD1 ASP A 39 -1.721 25.815 52.533 1.00 0.00 O ATOM 602 OD2 ASP A 39 -2.069 27.480 53.922 1.00 0.00 O ATOM 0 H ASP A 39 2.756 25.657 52.062 1.00 0.00 H new ATOM 0 HA ASP A 39 0.565 25.782 51.679 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.545 26.103 54.225 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.419 27.827 53.935 1.00 0.00 H new ATOM 607 N GLU A 40 1.680 28.334 50.563 1.00 0.00 N ATOM 608 CA GLU A 40 1.538 29.477 49.667 1.00 0.00 C ATOM 609 C GLU A 40 2.591 29.427 48.569 1.00 0.00 C ATOM 610 O GLU A 40 3.781 29.275 48.842 1.00 0.00 O ATOM 611 CB GLU A 40 1.669 30.776 50.454 1.00 0.00 C ATOM 612 CG GLU A 40 0.303 31.404 50.706 1.00 0.00 C ATOM 613 CD GLU A 40 0.458 32.747 51.408 1.00 0.00 C ATOM 614 OE1 GLU A 40 1.101 32.789 52.478 1.00 0.00 O ATOM 615 OE2 GLU A 40 -0.063 33.755 50.886 1.00 0.00 O ATOM 0 H GLU A 40 2.615 27.926 50.582 1.00 0.00 H new ATOM 0 HA GLU A 40 0.551 29.436 49.206 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.164 30.580 51.405 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.299 31.476 49.905 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.222 31.539 49.761 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.305 30.736 51.316 1.00 0.00 H new ATOM 622 N TRP A 41 2.143 29.556 47.326 1.00 0.00 N ATOM 623 CA TRP A 41 3.041 29.528 46.178 1.00 0.00 C ATOM 624 C TRP A 41 4.148 30.561 46.344 1.00 0.00 C ATOM 625 O TRP A 41 3.903 31.679 46.799 1.00 0.00 O ATOM 626 CB TRP A 41 2.256 29.811 44.902 1.00 0.00 C ATOM 627 CG TRP A 41 1.175 28.804 44.652 1.00 0.00 C ATOM 628 CD1 TRP A 41 -0.118 28.861 45.095 1.00 0.00 C ATOM 629 CD2 TRP A 41 1.291 27.582 43.894 1.00 0.00 C ATOM 630 NE1 TRP A 41 -0.784 27.751 44.652 1.00 0.00 N ATOM 631 CE2 TRP A 41 0.040 26.953 43.920 1.00 0.00 C ATOM 632 CE3 TRP A 41 2.330 26.963 43.198 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.190 25.746 43.281 1.00 0.00 C ATOM 634 CZ3 TRP A 41 2.107 25.754 42.556 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.857 25.150 42.596 1.00 0.00 C ATOM 0 H TRP A 41 1.159 29.681 47.087 1.00 0.00 H new ATOM 0 HA TRP A 41 3.494 28.539 46.111 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.813 30.805 44.966 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.941 29.821 44.054 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.543 29.652 45.695 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.765 27.549 44.844 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.306 27.424 43.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.164 25.280 43.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.914 25.277 42.019 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.700 24.209 42.090 1.00 0.00 H new ATOM 646 N VAL A 42 5.365 30.185 45.966 1.00 0.00 N ATOM 647 CA VAL A 42 6.508 31.086 46.066 1.00 0.00 C ATOM 648 C VAL A 42 7.041 31.404 44.675 1.00 0.00 C ATOM 649 O VAL A 42 7.580 30.535 43.991 1.00 0.00 O ATOM 650 CB VAL A 42 7.607 30.461 46.926 1.00 0.00 C ATOM 651 CG1 VAL A 42 7.138 30.315 48.371 1.00 0.00 C ATOM 652 CG2 VAL A 42 8.038 29.107 46.367 1.00 0.00 C ATOM 0 H VAL A 42 5.586 29.264 45.588 1.00 0.00 H new ATOM 0 HA VAL A 42 6.185 32.012 46.541 1.00 0.00 H new ATOM 0 HB VAL A 42 8.470 31.127 46.905 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.933 29.869 48.968 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.889 31.297 48.774 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.256 29.675 48.404 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.820 28.685 46.998 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.183 28.432 46.349 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.419 29.236 45.354 1.00 0.00 H new ATOM 662 N ALA A 43 6.879 32.656 44.257 1.00 0.00 N ATOM 663 CA ALA A 43 7.336 33.096 42.939 1.00 0.00 C ATOM 664 C ALA A 43 8.755 32.606 42.670 1.00 0.00 C ATOM 665 O ALA A 43 9.623 32.679 43.539 1.00 0.00 O ATOM 666 CB ALA A 43 7.288 34.619 42.857 1.00 0.00 C ATOM 0 H ALA A 43 6.434 33.387 44.812 1.00 0.00 H new ATOM 0 HA ALA A 43 6.675 32.672 42.183 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.629 34.941 41.873 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.265 34.960 43.016 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.935 35.045 43.623 1.00 0.00 H new ATOM 672 N MET A 44 8.982 32.106 41.460 1.00 0.00 N ATOM 673 CA MET A 44 10.295 31.600 41.075 1.00 0.00 C ATOM 674 C MET A 44 11.311 32.734 41.054 1.00 0.00 C ATOM 675 O MET A 44 11.027 33.841 41.511 1.00 0.00 O ATOM 676 CB MET A 44 10.218 30.942 39.701 1.00 0.00 C ATOM 677 CG MET A 44 10.358 29.427 39.803 1.00 0.00 C ATOM 678 SD MET A 44 12.047 28.916 40.158 1.00 0.00 S ATOM 679 CE MET A 44 11.812 27.159 40.468 1.00 0.00 C ATOM 0 H MET A 44 8.274 32.040 40.729 1.00 0.00 H new ATOM 0 HA MET A 44 10.614 30.858 41.807 1.00 0.00 H new ATOM 0 HB2 MET A 44 9.267 31.190 39.229 1.00 0.00 H new ATOM 0 HB3 MET A 44 11.005 31.340 39.060 1.00 0.00 H new ATOM 0 HG2 MET A 44 9.697 29.056 40.586 1.00 0.00 H new ATOM 0 HG3 MET A 44 10.032 28.971 38.868 1.00 0.00 H new ATOM 0 HE1 MET A 44 12.342 26.876 41.378 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.749 26.950 40.587 1.00 0.00 H new ATOM 0 HE3 MET A 44 12.203 26.586 39.627 1.00 0.00 H new ATOM 689 N THR A 45 12.496 32.453 40.524 1.00 0.00 N ATOM 690 CA THR A 45 13.553 33.455 40.449 1.00 0.00 C ATOM 691 C THR A 45 14.360 33.287 39.170 1.00 0.00 C ATOM 692 O THR A 45 15.192 32.386 39.061 1.00 0.00 O ATOM 693 CB THR A 45 14.470 33.336 41.663 1.00 0.00 C ATOM 694 OG1 THR A 45 13.697 33.320 42.853 1.00 0.00 O ATOM 695 CG2 THR A 45 15.468 34.489 41.702 1.00 0.00 C ATOM 0 H THR A 45 12.749 31.542 40.141 1.00 0.00 H new ATOM 0 HA THR A 45 13.094 34.444 40.442 1.00 0.00 H new ATOM 0 HB THR A 45 15.028 32.403 41.585 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.291 33.242 43.628 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.111 34.384 42.576 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.077 34.473 40.798 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.929 35.435 41.760 1.00 0.00 H new ATOM 703 N LYS A 46 14.112 34.166 38.204 1.00 0.00 N ATOM 704 CA LYS A 46 14.818 34.126 36.928 1.00 0.00 C ATOM 705 C LYS A 46 16.284 34.480 37.129 1.00 0.00 C ATOM 706 O LYS A 46 16.728 35.565 36.753 1.00 0.00 O ATOM 707 CB LYS A 46 14.179 35.107 35.951 1.00 0.00 C ATOM 708 CG LYS A 46 14.098 36.507 36.551 1.00 0.00 C ATOM 709 CD LYS A 46 14.394 37.578 35.505 1.00 0.00 C ATOM 710 CE LYS A 46 13.343 37.577 34.400 1.00 0.00 C ATOM 711 NZ LYS A 46 13.415 38.822 33.584 1.00 0.00 N ATOM 0 H LYS A 46 13.426 34.917 38.281 1.00 0.00 H new ATOM 0 HA LYS A 46 14.750 33.118 36.519 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.759 35.136 35.029 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.179 34.763 35.687 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.104 36.669 36.969 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.808 36.594 37.374 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.423 38.558 35.982 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.380 37.405 35.073 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.489 36.709 33.757 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.350 37.485 34.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.688 38.792 32.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.252 39.648 34.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.355 38.896 33.146 1.00 0.00 H new ATOM 725 N GLY A 47 17.033 33.561 37.727 1.00 0.00 N ATOM 726 CA GLY A 47 18.453 33.778 37.982 1.00 0.00 C ATOM 727 C GLY A 47 19.302 33.004 36.985 1.00 0.00 C ATOM 728 O GLY A 47 20.330 33.494 36.516 1.00 0.00 O ATOM 0 H GLY A 47 16.681 32.658 38.045 1.00 0.00 H new ATOM 0 HA2 GLY A 47 18.682 34.842 37.914 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.698 33.464 38.997 1.00 0.00 H new ATOM 732 N GLU A 48 18.868 31.791 36.664 1.00 0.00 N ATOM 733 CA GLU A 48 19.588 30.944 35.721 1.00 0.00 C ATOM 734 C GLU A 48 19.357 31.424 34.294 1.00 0.00 C ATOM 735 O GLU A 48 18.227 31.712 33.901 1.00 0.00 O ATOM 736 CB GLU A 48 19.127 29.498 35.864 1.00 0.00 C ATOM 737 CG GLU A 48 19.921 28.574 34.944 1.00 0.00 C ATOM 738 CD GLU A 48 20.273 27.282 35.670 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.413 27.316 36.911 1.00 0.00 O ATOM 740 OE2 GLU A 48 20.406 26.239 34.997 1.00 0.00 O ATOM 0 H GLU A 48 18.019 31.371 37.044 1.00 0.00 H new ATOM 0 HA GLU A 48 20.654 31.003 35.942 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.246 29.176 36.899 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.065 29.427 35.628 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.338 28.350 34.051 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.832 29.073 34.613 1.00 0.00 H new ATOM 747 N GLY A 49 20.436 31.508 33.522 1.00 0.00 N ATOM 748 CA GLY A 49 20.354 31.954 32.135 1.00 0.00 C ATOM 749 C GLY A 49 19.847 30.833 31.237 1.00 0.00 C ATOM 750 O GLY A 49 20.614 30.229 30.488 1.00 0.00 O ATOM 0 H GLY A 49 21.378 31.273 33.834 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.688 32.814 32.063 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.336 32.283 31.795 1.00 0.00 H new ATOM 754 N GLY A 50 18.549 30.559 31.318 1.00 0.00 N ATOM 755 CA GLY A 50 17.935 29.509 30.512 1.00 0.00 C ATOM 756 C GLY A 50 16.735 28.911 31.233 1.00 0.00 C ATOM 757 O GLY A 50 15.637 28.839 30.680 1.00 0.00 O ATOM 0 H GLY A 50 17.901 31.050 31.934 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.622 29.917 29.551 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.667 28.728 30.304 1.00 0.00 H new ATOM 761 N VAL A 51 16.951 28.483 32.472 1.00 0.00 N ATOM 762 CA VAL A 51 15.889 27.890 33.278 1.00 0.00 C ATOM 763 C VAL A 51 15.584 28.771 34.480 1.00 0.00 C ATOM 764 O VAL A 51 16.169 29.842 34.641 1.00 0.00 O ATOM 765 CB VAL A 51 16.304 26.499 33.748 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.377 25.537 32.567 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.646 26.556 34.475 1.00 0.00 C ATOM 0 H VAL A 51 17.855 28.536 32.942 1.00 0.00 H new ATOM 0 HA VAL A 51 14.991 27.807 32.665 1.00 0.00 H new ATOM 0 HB VAL A 51 15.551 26.133 34.446 1.00 0.00 H new ATOM 0 HG11 VAL A 51 16.674 24.550 32.920 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.399 25.472 32.089 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.110 25.901 31.846 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.925 25.555 34.803 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.409 26.943 33.800 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.563 27.211 35.342 1.00 0.00 H new ATOM 777 N TRP A 52 14.660 28.318 35.319 1.00 0.00 N ATOM 778 CA TRP A 52 14.274 29.069 36.507 1.00 0.00 C ATOM 779 C TRP A 52 14.770 28.375 37.767 1.00 0.00 C ATOM 780 O TRP A 52 14.744 27.148 37.866 1.00 0.00 O ATOM 781 CB TRP A 52 12.759 29.207 36.556 1.00 0.00 C ATOM 782 CG TRP A 52 12.175 29.554 35.224 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.154 28.910 34.584 1.00 0.00 C ATOM 784 CD2 TRP A 52 12.584 30.631 34.358 1.00 0.00 C ATOM 785 NE1 TRP A 52 10.916 29.538 33.393 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.766 30.586 33.223 1.00 0.00 C ATOM 787 CE3 TRP A 52 13.559 31.627 34.435 1.00 0.00 C ATOM 788 CZ2 TRP A 52 11.896 31.495 32.187 1.00 0.00 C ATOM 789 CZ3 TRP A 52 13.695 32.541 33.400 1.00 0.00 C ATOM 790 CH2 TRP A 52 12.868 32.474 32.285 1.00 0.00 C ATOM 0 H TRP A 52 14.164 27.435 35.199 1.00 0.00 H new ATOM 0 HA TRP A 52 14.728 30.058 36.456 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.323 28.272 36.908 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.490 29.977 37.279 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.623 28.047 34.957 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.199 29.259 32.724 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.206 31.686 35.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.253 31.441 31.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.450 33.311 33.461 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.985 33.193 31.488 1.00 0.00 H new ATOM 801 N THR A 53 15.215 29.171 38.731 1.00 0.00 N ATOM 802 CA THR A 53 15.714 28.644 39.995 1.00 0.00 C ATOM 803 C THR A 53 14.992 29.314 41.156 1.00 0.00 C ATOM 804 O THR A 53 14.414 30.389 41.000 1.00 0.00 O ATOM 805 CB THR A 53 17.216 28.884 40.105 1.00 0.00 C ATOM 806 OG1 THR A 53 17.549 30.143 39.540 1.00 0.00 O ATOM 807 CG2 THR A 53 17.994 27.774 39.406 1.00 0.00 C ATOM 0 H THR A 53 15.241 30.188 38.661 1.00 0.00 H new ATOM 0 HA THR A 53 15.526 27.571 40.031 1.00 0.00 H new ATOM 0 HB THR A 53 17.489 28.882 41.160 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.515 30.291 39.616 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.063 27.966 39.497 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.757 26.816 39.869 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.719 27.745 38.352 1.00 0.00 H new ATOM 815 N PHE A 54 15.021 28.673 42.318 1.00 0.00 N ATOM 816 CA PHE A 54 14.359 29.212 43.501 1.00 0.00 C ATOM 817 C PHE A 54 15.300 29.197 44.699 1.00 0.00 C ATOM 818 O PHE A 54 15.851 28.156 45.056 1.00 0.00 O ATOM 819 CB PHE A 54 13.110 28.395 43.812 1.00 0.00 C ATOM 820 CG PHE A 54 12.290 28.979 44.935 1.00 0.00 C ATOM 821 CD1 PHE A 54 11.670 30.207 44.775 1.00 0.00 C ATOM 822 CD2 PHE A 54 12.156 28.286 46.127 1.00 0.00 C ATOM 823 CE1 PHE A 54 10.917 30.743 45.807 1.00 0.00 C ATOM 824 CE2 PHE A 54 11.403 28.822 47.158 1.00 0.00 C ATOM 825 CZ PHE A 54 10.784 30.050 46.999 1.00 0.00 C ATOM 0 H PHE A 54 15.494 27.782 42.467 1.00 0.00 H new ATOM 0 HA PHE A 54 14.074 30.245 43.299 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.493 28.328 42.916 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.403 27.378 44.074 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.774 30.747 43.845 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.639 27.328 46.252 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.434 31.701 45.682 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.298 28.281 48.087 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.198 30.468 47.804 1.00 0.00 H new ATOM 835 N ASP A 55 15.476 30.359 45.319 1.00 0.00 N ATOM 836 CA ASP A 55 16.347 30.484 46.483 1.00 0.00 C ATOM 837 C ASP A 55 15.585 30.120 47.751 1.00 0.00 C ATOM 838 O ASP A 55 15.395 30.955 48.636 1.00 0.00 O ATOM 839 CB ASP A 55 16.879 31.911 46.586 1.00 0.00 C ATOM 840 CG ASP A 55 18.161 32.054 45.776 1.00 0.00 C ATOM 841 OD1 ASP A 55 18.090 31.983 44.531 1.00 0.00 O ATOM 842 OD2 ASP A 55 19.235 32.237 46.387 1.00 0.00 O ATOM 0 H ASP A 55 15.026 31.229 45.035 1.00 0.00 H new ATOM 0 HA ASP A 55 17.187 29.799 46.368 1.00 0.00 H new ATOM 0 HB2 ASP A 55 16.130 32.614 46.221 1.00 0.00 H new ATOM 0 HB3 ASP A 55 17.070 32.161 47.630 1.00 0.00 H new ATOM 847 N SER A 56 15.147 28.868 47.831 1.00 0.00 N ATOM 848 CA SER A 56 14.401 28.386 48.988 1.00 0.00 C ATOM 849 C SER A 56 15.209 28.587 50.263 1.00 0.00 C ATOM 850 O SER A 56 16.437 28.506 50.251 1.00 0.00 O ATOM 851 CB SER A 56 14.068 26.907 48.813 1.00 0.00 C ATOM 852 OG SER A 56 15.222 26.109 49.030 1.00 0.00 O ATOM 0 H SER A 56 15.296 28.167 47.106 1.00 0.00 H new ATOM 0 HA SER A 56 13.475 28.956 49.067 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.283 26.620 49.512 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.681 26.732 47.809 1.00 0.00 H new ATOM 0 HG SER A 56 14.992 25.163 48.916 1.00 0.00 H new ATOM 858 N GLU A 57 14.512 28.850 51.364 1.00 0.00 N ATOM 859 CA GLU A 57 15.165 29.062 52.652 1.00 0.00 C ATOM 860 C GLU A 57 14.475 28.249 53.741 1.00 0.00 C ATOM 861 O GLU A 57 14.540 28.596 54.921 1.00 0.00 O ATOM 862 CB GLU A 57 15.136 30.545 53.012 1.00 0.00 C ATOM 863 CG GLU A 57 16.521 31.172 52.879 1.00 0.00 C ATOM 864 CD GLU A 57 17.036 31.609 54.244 1.00 0.00 C ATOM 865 OE1 GLU A 57 17.665 30.780 54.936 1.00 0.00 O ATOM 866 OE2 GLU A 57 16.809 32.778 54.620 1.00 0.00 O ATOM 0 H GLU A 57 13.495 28.922 51.390 1.00 0.00 H new ATOM 0 HA GLU A 57 16.201 28.732 52.575 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.434 31.066 52.361 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.775 30.667 54.033 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.211 30.455 52.435 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.477 32.030 52.208 1.00 0.00 H new ATOM 873 N GLU A 58 13.818 27.163 53.343 1.00 0.00 N ATOM 874 CA GLU A 58 13.121 26.299 54.291 1.00 0.00 C ATOM 875 C GLU A 58 13.729 24.899 54.274 1.00 0.00 C ATOM 876 O GLU A 58 14.056 24.370 53.212 1.00 0.00 O ATOM 877 CB GLU A 58 11.635 26.230 53.944 1.00 0.00 C ATOM 878 CG GLU A 58 11.402 25.515 52.615 1.00 0.00 C ATOM 879 CD GLU A 58 9.925 25.183 52.448 1.00 0.00 C ATOM 880 OE1 GLU A 58 9.141 26.102 52.129 1.00 0.00 O ATOM 881 OE2 GLU A 58 9.555 24.006 52.637 1.00 0.00 O ATOM 0 H GLU A 58 13.754 26.861 52.371 1.00 0.00 H new ATOM 0 HA GLU A 58 13.230 26.717 55.292 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.099 25.709 54.737 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.225 27.239 53.892 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.736 26.146 51.791 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.994 24.601 52.577 1.00 0.00 H new ATOM 888 N PRO A 59 13.897 24.281 55.457 1.00 0.00 N ATOM 889 CA PRO A 59 14.477 22.937 55.570 1.00 0.00 C ATOM 890 C PRO A 59 13.493 21.849 55.154 1.00 0.00 C ATOM 891 O PRO A 59 13.020 21.076 55.987 1.00 0.00 O ATOM 892 CB PRO A 59 14.824 22.813 57.047 1.00 0.00 C ATOM 893 CG PRO A 59 13.906 23.750 57.754 1.00 0.00 C ATOM 894 CD PRO A 59 13.545 24.839 56.775 1.00 0.00 C ATOM 0 HA PRO A 59 15.337 22.809 54.913 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.686 21.790 57.398 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.867 23.074 57.228 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.012 23.229 58.097 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.389 24.170 58.637 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.485 25.088 56.831 1.00 0.00 H new ATOM 0 HD3 PRO A 59 14.099 25.756 56.979 1.00 0.00 H new ATOM 902 N LEU A 60 13.190 21.792 53.861 1.00 0.00 N ATOM 903 CA LEU A 60 12.263 20.796 53.333 1.00 0.00 C ATOM 904 C LEU A 60 12.606 20.466 51.886 1.00 0.00 C ATOM 905 O LEU A 60 12.365 21.267 50.983 1.00 0.00 O ATOM 906 CB LEU A 60 10.832 21.317 53.423 1.00 0.00 C ATOM 907 CG LEU A 60 9.823 20.233 53.052 1.00 0.00 C ATOM 908 CD1 LEU A 60 9.523 19.346 54.257 1.00 0.00 C ATOM 909 CD2 LEU A 60 8.539 20.859 52.515 1.00 0.00 C ATOM 0 H LEU A 60 13.573 22.424 53.158 1.00 0.00 H new ATOM 0 HA LEU A 60 12.350 19.887 53.929 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.634 21.670 54.435 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.711 22.172 52.758 1.00 0.00 H new ATOM 0 HG LEU A 60 10.257 19.612 52.268 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.802 18.579 53.974 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.443 18.871 54.597 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.109 19.953 55.062 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.831 20.072 52.256 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.102 21.503 53.278 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.766 21.450 51.628 1.00 0.00 H new ATOM 921 N GLN A 61 13.172 19.283 51.671 1.00 0.00 N ATOM 922 CA GLN A 61 13.552 18.844 50.332 1.00 0.00 C ATOM 923 C GLN A 61 12.528 17.854 49.786 1.00 0.00 C ATOM 924 O GLN A 61 12.844 16.693 49.525 1.00 0.00 O ATOM 925 CB GLN A 61 14.940 18.206 50.373 1.00 0.00 C ATOM 926 CG GLN A 61 15.862 18.820 49.324 1.00 0.00 C ATOM 927 CD GLN A 61 17.278 18.938 49.872 1.00 0.00 C ATOM 928 OE1 GLN A 61 17.478 19.290 51.034 1.00 0.00 O ATOM 929 NE2 GLN A 61 18.264 18.643 49.032 1.00 0.00 N ATOM 0 H GLN A 61 13.378 18.609 52.408 1.00 0.00 H new ATOM 0 HA GLN A 61 13.578 19.709 49.670 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.374 18.338 51.364 1.00 0.00 H new ATOM 0 HB3 GLN A 61 14.855 17.133 50.202 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.863 18.204 48.425 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.493 19.804 49.036 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.051 18.355 48.077 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.234 18.704 49.342 1.00 0.00 H new ATOM 938 N GLY A 62 11.295 18.322 49.614 1.00 0.00 N ATOM 939 CA GLY A 62 10.221 17.479 49.098 1.00 0.00 C ATOM 940 C GLY A 62 9.844 17.894 47.679 1.00 0.00 C ATOM 941 O GLY A 62 10.668 18.440 46.946 1.00 0.00 O ATOM 0 H GLY A 62 11.015 19.280 49.824 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.536 16.435 49.106 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.349 17.554 49.748 1.00 0.00 H new ATOM 945 N PRO A 63 8.587 17.639 47.273 1.00 0.00 N ATOM 946 CA PRO A 63 8.103 17.991 45.931 1.00 0.00 C ATOM 947 C PRO A 63 7.837 19.486 45.795 1.00 0.00 C ATOM 948 O PRO A 63 7.648 20.185 46.791 1.00 0.00 O ATOM 949 CB PRO A 63 6.813 17.197 45.784 1.00 0.00 C ATOM 950 CG PRO A 63 6.330 16.958 47.178 1.00 0.00 C ATOM 951 CD PRO A 63 7.540 16.992 48.084 1.00 0.00 C ATOM 0 HA PRO A 63 8.837 17.758 45.160 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.076 17.751 45.203 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.989 16.256 45.263 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.609 17.721 47.471 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.823 15.996 47.250 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.338 17.555 48.995 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.837 15.988 48.389 1.00 0.00 H new ATOM 959 N PHE A 64 7.826 19.972 44.559 1.00 0.00 N ATOM 960 CA PHE A 64 7.586 21.387 44.295 1.00 0.00 C ATOM 961 C PHE A 64 6.531 21.560 43.211 1.00 0.00 C ATOM 962 O PHE A 64 6.805 21.356 42.028 1.00 0.00 O ATOM 963 CB PHE A 64 8.882 22.062 43.855 1.00 0.00 C ATOM 964 CG PHE A 64 10.056 21.723 44.737 1.00 0.00 C ATOM 965 CD1 PHE A 64 10.226 22.370 45.951 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.970 20.766 44.330 1.00 0.00 C ATOM 967 CE1 PHE A 64 11.308 22.058 46.756 1.00 0.00 C ATOM 968 CE2 PHE A 64 12.052 20.454 45.135 1.00 0.00 C ATOM 969 CZ PHE A 64 12.222 21.100 46.348 1.00 0.00 C ATOM 0 H PHE A 64 7.980 19.408 43.724 1.00 0.00 H new ATOM 0 HA PHE A 64 7.226 21.851 45.214 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.108 21.767 42.830 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.738 23.142 43.851 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.514 23.118 46.269 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.839 20.262 43.384 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.440 22.561 47.702 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.764 19.707 44.817 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.067 20.857 46.976 1.00 0.00 H new ATOM 979 N ASN A 65 5.326 21.949 43.616 1.00 0.00 N ATOM 980 CA ASN A 65 4.236 22.161 42.671 1.00 0.00 C ATOM 981 C ASN A 65 4.532 23.382 41.811 1.00 0.00 C ATOM 982 O ASN A 65 5.456 24.142 42.100 1.00 0.00 O ATOM 983 CB ASN A 65 2.922 22.356 43.423 1.00 0.00 C ATOM 984 CG ASN A 65 2.711 21.222 44.418 1.00 0.00 C ATOM 985 OD1 ASN A 65 3.125 20.087 44.179 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.066 21.529 45.538 1.00 0.00 N ATOM 0 H ASN A 65 5.080 22.123 44.590 1.00 0.00 H new ATOM 0 HA ASN A 65 4.145 21.285 42.028 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.933 23.312 43.947 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.092 22.389 42.717 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.896 20.811 46.242 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.741 22.483 45.694 1.00 0.00 H new ATOM 993 N PHE A 66 3.751 23.570 40.752 1.00 0.00 N ATOM 994 CA PHE A 66 3.950 24.706 39.859 1.00 0.00 C ATOM 995 C PHE A 66 2.620 25.226 39.331 1.00 0.00 C ATOM 996 O PHE A 66 1.564 24.646 39.584 1.00 0.00 O ATOM 997 CB PHE A 66 4.847 24.300 38.693 1.00 0.00 C ATOM 998 CG PHE A 66 6.314 24.456 39.003 1.00 0.00 C ATOM 999 CD1 PHE A 66 6.907 25.707 38.938 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.071 23.350 39.354 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.255 25.850 39.224 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.419 23.494 39.640 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.011 24.744 39.575 1.00 0.00 C ATOM 0 H PHE A 66 2.980 22.955 40.492 1.00 0.00 H new ATOM 0 HA PHE A 66 4.429 25.505 40.425 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.644 23.262 38.429 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.598 24.905 37.821 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.318 26.570 38.664 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.610 22.375 39.405 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.717 26.825 39.173 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.008 22.631 39.914 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.062 24.856 39.798 1.00 0.00 H new ATOM 1013 N ARG A 67 2.687 26.330 38.595 1.00 0.00 N ATOM 1014 CA ARG A 67 1.502 26.955 38.017 1.00 0.00 C ATOM 1015 C ARG A 67 1.896 28.254 37.327 1.00 0.00 C ATOM 1016 O ARG A 67 1.360 29.321 37.627 1.00 0.00 O ATOM 1017 CB ARG A 67 0.471 27.231 39.108 1.00 0.00 C ATOM 1018 CG ARG A 67 1.114 27.892 40.323 1.00 0.00 C ATOM 1019 CD ARG A 67 0.656 29.340 40.470 1.00 0.00 C ATOM 1020 NE ARG A 67 -0.268 29.468 41.592 1.00 0.00 N ATOM 1021 CZ ARG A 67 -1.547 29.781 41.410 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -2.286 29.089 40.552 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -2.089 30.784 42.086 1.00 0.00 N ATOM 0 H ARG A 67 3.559 26.815 38.383 1.00 0.00 H new ATOM 0 HA ARG A 67 1.061 26.280 37.284 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.315 27.875 38.714 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.003 26.297 39.408 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.857 27.333 41.223 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.199 27.859 40.227 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.519 29.987 40.625 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.171 29.670 39.551 1.00 0.00 H new ATOM 0 HE ARG A 67 0.076 29.313 42.540 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.873 28.316 40.031 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.267 29.331 40.414 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.524 31.317 42.747 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.071 31.023 41.945 1.00 0.00 H new ATOM 1037 N PHE A 68 2.850 28.152 36.408 1.00 0.00 N ATOM 1038 CA PHE A 68 3.345 29.310 35.670 1.00 0.00 C ATOM 1039 C PHE A 68 2.209 30.037 34.967 1.00 0.00 C ATOM 1040 O PHE A 68 1.059 29.597 34.994 1.00 0.00 O ATOM 1041 CB PHE A 68 4.379 28.863 34.642 1.00 0.00 C ATOM 1042 CG PHE A 68 3.969 27.613 33.906 1.00 0.00 C ATOM 1043 CD1 PHE A 68 2.810 27.605 33.147 1.00 0.00 C ATOM 1044 CD2 PHE A 68 4.749 26.471 33.987 1.00 0.00 C ATOM 1045 CE1 PHE A 68 2.432 26.457 32.470 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.371 25.323 33.310 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.213 25.317 32.551 1.00 0.00 C ATOM 0 H PHE A 68 3.299 27.272 36.154 1.00 0.00 H new ATOM 0 HA PHE A 68 3.805 29.996 36.381 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.540 29.666 33.923 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.331 28.688 35.143 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.201 28.494 33.083 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.653 26.476 34.578 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.528 26.451 31.879 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.979 24.433 33.374 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.919 24.423 32.022 1.00 0.00 H new ATOM 1057 N LEU A 69 2.549 31.152 34.331 1.00 0.00 N ATOM 1058 CA LEU A 69 1.576 31.958 33.602 1.00 0.00 C ATOM 1059 C LEU A 69 2.045 32.149 32.165 1.00 0.00 C ATOM 1060 O LEU A 69 2.436 33.247 31.772 1.00 0.00 O ATOM 1061 CB LEU A 69 1.406 33.318 34.279 1.00 0.00 C ATOM 1062 CG LEU A 69 1.391 33.187 35.800 1.00 0.00 C ATOM 1063 CD1 LEU A 69 1.367 34.564 36.456 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.193 32.357 36.254 1.00 0.00 C ATOM 0 H LEU A 69 3.500 31.521 34.306 1.00 0.00 H new ATOM 0 HA LEU A 69 0.615 31.443 33.603 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.218 33.980 33.978 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.477 33.779 33.943 1.00 0.00 H new ATOM 0 HG LEU A 69 2.302 32.675 36.110 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.357 34.450 37.540 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.253 35.124 36.158 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.474 35.103 36.139 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.199 32.274 37.341 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.729 32.842 35.932 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.252 31.362 35.814 1.00 0.00 H new ATOM 1076 N THR A 70 2.016 31.064 31.390 1.00 0.00 N ATOM 1077 CA THR A 70 2.452 31.081 29.989 1.00 0.00 C ATOM 1078 C THR A 70 2.054 32.377 29.283 1.00 0.00 C ATOM 1079 O THR A 70 0.962 32.905 29.496 1.00 0.00 O ATOM 1080 CB THR A 70 1.851 29.888 29.250 1.00 0.00 C ATOM 1081 OG1 THR A 70 0.469 29.776 29.552 1.00 0.00 O ATOM 1082 CG2 THR A 70 2.576 28.599 29.625 1.00 0.00 C ATOM 0 H THR A 70 1.692 30.152 31.712 1.00 0.00 H new ATOM 0 HA THR A 70 3.540 31.018 29.979 1.00 0.00 H new ATOM 0 HB THR A 70 1.970 30.050 28.179 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.359 29.512 30.489 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.131 27.762 29.087 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.630 28.683 29.358 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.486 28.430 30.698 1.00 0.00 H new ATOM 1090 N GLU A 71 2.955 32.879 28.440 1.00 0.00 N ATOM 1091 CA GLU A 71 2.729 34.110 27.687 1.00 0.00 C ATOM 1092 C GLU A 71 1.313 34.164 27.123 1.00 0.00 C ATOM 1093 O GLU A 71 0.641 35.192 27.207 1.00 0.00 O ATOM 1094 CB GLU A 71 3.744 34.195 26.563 1.00 0.00 C ATOM 1095 CG GLU A 71 4.726 35.342 26.780 1.00 0.00 C ATOM 1096 CD GLU A 71 4.648 36.330 25.623 1.00 0.00 C ATOM 1097 OE1 GLU A 71 3.521 36.663 25.200 1.00 0.00 O ATOM 1098 OE2 GLU A 71 5.714 36.769 25.142 1.00 0.00 O ATOM 0 H GLU A 71 3.860 32.444 28.261 1.00 0.00 H new ATOM 0 HA GLU A 71 2.847 34.959 28.360 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.291 33.255 26.494 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.226 34.333 25.614 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.500 35.851 27.717 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.740 34.951 26.865 1.00 0.00 H new ATOM 1105 N LYS A 72 0.863 33.053 26.548 1.00 0.00 N ATOM 1106 CA LYS A 72 -0.476 32.980 25.971 1.00 0.00 C ATOM 1107 C LYS A 72 -1.521 33.377 27.006 1.00 0.00 C ATOM 1108 O LYS A 72 -2.553 33.956 26.669 1.00 0.00 O ATOM 1109 CB LYS A 72 -0.753 31.566 25.470 1.00 0.00 C ATOM 1110 CG LYS A 72 -1.760 31.576 24.323 1.00 0.00 C ATOM 1111 CD LYS A 72 -3.177 31.821 24.836 1.00 0.00 C ATOM 1112 CE LYS A 72 -3.742 33.131 24.295 1.00 0.00 C ATOM 1113 NZ LYS A 72 -5.059 33.452 24.917 1.00 0.00 N ATOM 0 H LYS A 72 1.404 32.192 26.469 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.532 33.673 25.132 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.177 31.106 25.137 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.135 30.955 26.288 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.491 32.351 23.606 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.721 30.624 23.793 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.822 30.994 24.539 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.173 31.847 25.926 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.039 33.941 24.490 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.856 33.061 23.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.417 34.348 24.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.736 32.690 24.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.944 33.542 25.947 1.00 0.00 H new ATOM 1127 N GLY A 73 -1.247 33.062 28.268 1.00 0.00 N ATOM 1128 CA GLY A 73 -2.164 33.386 29.356 1.00 0.00 C ATOM 1129 C GLY A 73 -2.885 32.137 29.844 1.00 0.00 C ATOM 1130 O GLY A 73 -4.115 32.103 29.905 1.00 0.00 O ATOM 0 H GLY A 73 -0.397 32.582 28.563 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.613 33.839 30.180 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.892 34.123 29.017 1.00 0.00 H new ATOM 1134 N MET A 74 -2.116 31.111 30.191 1.00 0.00 N ATOM 1135 CA MET A 74 -2.684 29.857 30.675 1.00 0.00 C ATOM 1136 C MET A 74 -2.021 29.439 31.982 1.00 0.00 C ATOM 1137 O MET A 74 -0.795 29.407 32.084 1.00 0.00 O ATOM 1138 CB MET A 74 -2.500 28.762 29.627 1.00 0.00 C ATOM 1139 CG MET A 74 -3.765 28.573 28.795 1.00 0.00 C ATOM 1140 SD MET A 74 -5.107 27.837 29.743 1.00 0.00 S ATOM 1141 CE MET A 74 -5.143 26.177 29.048 1.00 0.00 C ATOM 0 H MET A 74 -1.097 31.122 30.146 1.00 0.00 H new ATOM 0 HA MET A 74 -3.749 30.006 30.856 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.667 29.018 28.973 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.242 27.824 30.119 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.087 29.538 28.404 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.541 27.940 27.936 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.926 25.596 29.535 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.345 26.235 27.978 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.179 25.694 29.209 1.00 0.00 H new ATOM 1151 N LYS A 75 -2.840 29.117 32.979 1.00 0.00 N ATOM 1152 CA LYS A 75 -2.333 28.696 34.286 1.00 0.00 C ATOM 1153 C LYS A 75 -2.763 27.263 34.571 1.00 0.00 C ATOM 1154 O LYS A 75 -3.954 26.950 34.564 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.840 29.613 35.413 1.00 0.00 C ATOM 1156 CG LYS A 75 -3.488 30.898 34.891 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.442 31.866 34.348 1.00 0.00 C ATOM 1158 CE LYS A 75 -3.004 32.700 33.200 1.00 0.00 C ATOM 1159 NZ LYS A 75 -4.046 33.651 33.682 1.00 0.00 N ATOM 0 H LYS A 75 -3.857 29.139 32.909 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.245 28.761 34.256 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.563 29.068 36.020 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.007 29.872 36.066 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.203 30.654 34.105 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.048 31.377 35.694 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.103 32.525 35.147 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.571 31.308 34.003 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.197 33.254 32.721 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.431 32.041 32.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.409 34.204 32.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.826 33.119 34.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.630 34.294 34.386 1.00 0.00 H new ATOM 1173 N ASN A 76 -1.790 26.394 34.821 1.00 0.00 N ATOM 1174 CA ASN A 76 -2.071 24.991 35.108 1.00 0.00 C ATOM 1175 C ASN A 76 -1.261 24.523 36.310 1.00 0.00 C ATOM 1176 O ASN A 76 -0.038 24.663 36.339 1.00 0.00 O ATOM 1177 CB ASN A 76 -1.740 24.135 33.890 1.00 0.00 C ATOM 1178 CG ASN A 76 -2.800 24.322 32.812 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -2.945 25.409 32.252 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -3.542 23.260 32.519 1.00 0.00 N ATOM 0 H ASN A 76 -0.799 26.636 34.831 1.00 0.00 H new ATOM 0 HA ASN A 76 -3.131 24.886 35.340 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.760 24.410 33.499 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.685 23.085 34.178 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.267 23.326 31.804 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.387 22.379 33.009 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.949 23.965 37.300 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.295 23.474 38.508 1.00 0.00 C ATOM 1189 C VAL A 77 -0.773 22.060 38.290 1.00 0.00 C ATOM 1190 O VAL A 77 -1.409 21.250 37.616 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.277 23.494 39.675 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.613 22.967 40.944 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.811 24.906 39.898 1.00 0.00 C ATOM 0 H VAL A 77 -2.961 23.841 37.290 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.452 24.125 38.740 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.116 22.842 39.430 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.329 22.989 41.765 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.279 21.942 40.781 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.756 23.593 41.193 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.510 24.903 40.734 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.982 25.578 40.121 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.323 25.248 38.998 1.00 0.00 H new ATOM 1203 N PHE A 78 0.391 21.769 38.862 1.00 0.00 N ATOM 1204 CA PHE A 78 1.002 20.450 38.728 1.00 0.00 C ATOM 1205 C PHE A 78 1.393 19.902 40.093 1.00 0.00 C ATOM 1206 O PHE A 78 1.935 20.622 40.932 1.00 0.00 O ATOM 1207 CB PHE A 78 2.232 20.537 37.829 1.00 0.00 C ATOM 1208 CG PHE A 78 1.984 21.332 36.572 1.00 0.00 C ATOM 1209 CD1 PHE A 78 1.398 20.727 35.473 1.00 0.00 C ATOM 1210 CD2 PHE A 78 2.338 22.670 36.517 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.168 21.458 34.319 1.00 0.00 C ATOM 1212 CE2 PHE A 78 2.109 23.401 35.363 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.524 22.795 34.265 1.00 0.00 C ATOM 0 H PHE A 78 0.931 22.428 39.423 1.00 0.00 H new ATOM 0 HA PHE A 78 0.276 19.773 38.278 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.051 20.992 38.385 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.551 19.530 37.559 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.120 19.684 35.516 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.793 23.144 37.374 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.711 20.985 33.462 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.387 24.444 35.320 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.345 23.365 33.365 1.00 0.00 H new ATOM 1223 N ASP A 79 1.117 18.620 40.310 1.00 0.00 N ATOM 1224 CA ASP A 79 1.440 17.966 41.574 1.00 0.00 C ATOM 1225 C ASP A 79 2.503 16.897 41.357 1.00 0.00 C ATOM 1226 O ASP A 79 2.558 16.268 40.300 1.00 0.00 O ATOM 1227 CB ASP A 79 0.184 17.339 42.171 1.00 0.00 C ATOM 1228 CG ASP A 79 0.439 16.915 43.611 1.00 0.00 C ATOM 1229 OD1 ASP A 79 1.418 17.406 44.212 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -0.341 16.093 44.137 1.00 0.00 O ATOM 0 H ASP A 79 0.669 18.012 39.625 1.00 0.00 H new ATOM 0 HA ASP A 79 1.829 18.712 42.267 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.639 18.052 42.135 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.117 16.475 41.578 1.00 0.00 H new ATOM 1235 N ASP A 80 3.350 16.697 42.362 1.00 0.00 N ATOM 1236 CA ASP A 80 4.415 15.704 42.278 1.00 0.00 C ATOM 1237 C ASP A 80 5.318 16.001 41.088 1.00 0.00 C ATOM 1238 O ASP A 80 5.612 15.119 40.282 1.00 0.00 O ATOM 1239 CB ASP A 80 3.815 14.307 42.142 1.00 0.00 C ATOM 1240 CG ASP A 80 3.662 13.664 43.514 1.00 0.00 C ATOM 1241 OD1 ASP A 80 3.148 14.336 44.433 1.00 0.00 O ATOM 1242 OD2 ASP A 80 4.057 12.489 43.668 1.00 0.00 O ATOM 0 H ASP A 80 3.319 17.209 43.244 1.00 0.00 H new ATOM 0 HA ASP A 80 5.010 15.748 43.190 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.844 14.367 41.650 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.454 13.689 41.512 1.00 0.00 H new ATOM 1247 N VAL A 81 5.753 17.253 40.983 1.00 0.00 N ATOM 1248 CA VAL A 81 6.622 17.677 39.890 1.00 0.00 C ATOM 1249 C VAL A 81 8.094 17.416 40.219 1.00 0.00 C ATOM 1250 O VAL A 81 8.964 17.627 39.377 1.00 0.00 O ATOM 1251 CB VAL A 81 6.402 19.162 39.603 1.00 0.00 C ATOM 1252 CG1 VAL A 81 7.361 19.656 38.521 1.00 0.00 C ATOM 1253 CG2 VAL A 81 4.956 19.413 39.186 1.00 0.00 C ATOM 0 H VAL A 81 5.517 17.994 41.644 1.00 0.00 H new ATOM 0 HA VAL A 81 6.368 17.094 39.004 1.00 0.00 H new ATOM 0 HB VAL A 81 6.605 19.719 40.517 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.185 20.715 38.335 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.389 19.512 38.853 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.194 19.093 37.602 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.814 20.475 38.985 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.732 18.840 38.286 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.287 19.103 39.989 1.00 0.00 H new ATOM 1263 N VAL A 82 8.372 16.955 41.438 1.00 0.00 N ATOM 1264 CA VAL A 82 9.743 16.669 41.850 1.00 0.00 C ATOM 1265 C VAL A 82 9.750 15.664 43.002 1.00 0.00 C ATOM 1266 O VAL A 82 9.032 15.836 43.987 1.00 0.00 O ATOM 1267 CB VAL A 82 10.443 17.961 42.277 1.00 0.00 C ATOM 1268 CG1 VAL A 82 11.841 17.666 42.822 1.00 0.00 C ATOM 1269 CG2 VAL A 82 10.525 18.936 41.106 1.00 0.00 C ATOM 0 H VAL A 82 7.669 16.773 42.154 1.00 0.00 H new ATOM 0 HA VAL A 82 10.280 16.238 41.005 1.00 0.00 H new ATOM 0 HB VAL A 82 9.855 18.420 43.072 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.320 18.599 43.119 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.763 17.007 43.686 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.438 17.182 42.049 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.026 19.849 41.427 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.089 18.480 40.292 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.519 19.176 40.761 1.00 0.00 H new ATOM 1279 N PRO A 83 10.568 14.601 42.896 1.00 0.00 N ATOM 1280 CA PRO A 83 10.668 13.569 43.943 1.00 0.00 C ATOM 1281 C PRO A 83 11.355 14.096 45.198 1.00 0.00 C ATOM 1282 O PRO A 83 11.606 15.294 45.323 1.00 0.00 O ATOM 1283 CB PRO A 83 11.501 12.469 43.297 1.00 0.00 C ATOM 1284 CG PRO A 83 12.300 13.158 42.242 1.00 0.00 C ATOM 1285 CD PRO A 83 11.465 14.315 41.762 1.00 0.00 C ATOM 0 HA PRO A 83 9.687 13.227 44.272 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.148 11.983 44.028 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.866 11.694 42.868 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.252 13.506 42.642 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.528 12.478 41.422 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.083 15.178 41.514 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.904 14.057 40.864 1.00 0.00 H new ATOM 1293 N GLU A 84 11.661 13.193 46.125 1.00 0.00 N ATOM 1294 CA GLU A 84 12.324 13.567 47.369 1.00 0.00 C ATOM 1295 C GLU A 84 13.803 13.830 47.118 1.00 0.00 C ATOM 1296 O GLU A 84 14.287 14.946 47.309 1.00 0.00 O ATOM 1297 CB GLU A 84 12.162 12.456 48.401 1.00 0.00 C ATOM 1298 CG GLU A 84 12.573 12.930 49.792 1.00 0.00 C ATOM 1299 CD GLU A 84 11.453 13.746 50.423 1.00 0.00 C ATOM 1300 OE1 GLU A 84 10.285 13.310 50.347 1.00 0.00 O ATOM 1301 OE2 GLU A 84 11.745 14.819 50.991 1.00 0.00 O ATOM 0 H GLU A 84 11.460 12.197 46.038 1.00 0.00 H new ATOM 0 HA GLU A 84 11.864 14.478 47.752 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.125 12.122 48.420 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.768 11.597 48.113 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.807 12.072 50.422 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.479 13.533 49.726 1.00 0.00 H new ATOM 1308 N LYS A 85 14.515 12.796 46.682 1.00 0.00 N ATOM 1309 CA LYS A 85 15.941 12.913 46.395 1.00 0.00 C ATOM 1310 C LYS A 85 16.162 12.995 44.890 1.00 0.00 C ATOM 1311 O LYS A 85 16.734 12.090 44.282 1.00 0.00 O ATOM 1312 CB LYS A 85 16.690 11.715 46.975 1.00 0.00 C ATOM 1313 CG LYS A 85 17.964 12.153 47.691 1.00 0.00 C ATOM 1314 CD LYS A 85 19.109 11.179 47.431 1.00 0.00 C ATOM 1315 CE LYS A 85 19.634 11.312 46.004 1.00 0.00 C ATOM 1316 NZ LYS A 85 19.804 9.978 45.362 1.00 0.00 N ATOM 0 H LYS A 85 14.128 11.866 46.519 1.00 0.00 H new ATOM 0 HA LYS A 85 16.324 13.823 46.857 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.043 11.182 47.672 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.941 11.018 46.175 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.248 13.150 47.354 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.777 12.220 48.763 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.917 11.367 48.138 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.767 10.158 47.602 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.943 11.916 45.415 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.589 11.838 46.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.162 10.102 44.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.482 9.412 45.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.887 9.488 45.332 1.00 0.00 H new ATOM 1330 N TYR A 86 15.695 14.087 44.293 1.00 0.00 N ATOM 1331 CA TYR A 86 15.827 14.298 42.855 1.00 0.00 C ATOM 1332 C TYR A 86 17.261 14.057 42.400 1.00 0.00 C ATOM 1333 O TYR A 86 18.204 14.201 43.177 1.00 0.00 O ATOM 1334 CB TYR A 86 15.403 15.721 42.500 1.00 0.00 C ATOM 1335 CG TYR A 86 16.360 16.766 43.016 1.00 0.00 C ATOM 1336 CD1 TYR A 86 17.575 16.968 42.383 1.00 0.00 C ATOM 1337 CD2 TYR A 86 16.025 17.527 44.124 1.00 0.00 C ATOM 1338 CE1 TYR A 86 18.452 17.929 42.856 1.00 0.00 C ATOM 1339 CE2 TYR A 86 16.904 18.488 44.596 1.00 0.00 C ATOM 1340 CZ TYR A 86 18.113 18.684 43.960 1.00 0.00 C ATOM 1341 OH TYR A 86 18.985 19.638 44.430 1.00 0.00 O ATOM 0 H TYR A 86 15.219 14.843 44.785 1.00 0.00 H new ATOM 0 HA TYR A 86 15.180 13.587 42.342 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.324 15.811 41.417 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.411 15.911 42.909 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.839 16.375 41.520 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.078 17.371 44.620 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.399 18.087 42.362 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.644 19.082 45.459 1.00 0.00 H new ATOM 0 HH TYR A 86 18.595 20.081 45.212 1.00 0.00 H new ATOM 1351 N THR A 87 17.414 13.694 41.131 1.00 0.00 N ATOM 1352 CA THR A 87 18.729 13.435 40.556 1.00 0.00 C ATOM 1353 C THR A 87 18.859 14.141 39.212 1.00 0.00 C ATOM 1354 O THR A 87 18.222 13.755 38.233 1.00 0.00 O ATOM 1355 CB THR A 87 18.936 11.933 40.378 1.00 0.00 C ATOM 1356 OG1 THR A 87 18.714 11.264 41.609 1.00 0.00 O ATOM 1357 CG2 THR A 87 20.343 11.636 39.868 1.00 0.00 C ATOM 0 H THR A 87 16.640 13.572 40.478 1.00 0.00 H new ATOM 0 HA THR A 87 19.492 13.819 41.233 1.00 0.00 H new ATOM 0 HB THR A 87 18.220 11.572 39.639 1.00 0.00 H new ATOM 0 HG1 THR A 87 18.847 10.301 41.487 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.467 10.560 39.749 1.00 0.00 H new ATOM 0 HG22 THR A 87 20.493 12.127 38.907 1.00 0.00 H new ATOM 0 HG23 THR A 87 21.076 12.009 40.584 1.00 0.00 H new ATOM 1365 N ILE A 88 19.686 15.183 39.173 1.00 0.00 N ATOM 1366 CA ILE A 88 19.902 15.956 37.951 1.00 0.00 C ATOM 1367 C ILE A 88 20.127 15.034 36.756 1.00 0.00 C ATOM 1368 O ILE A 88 21.223 14.510 36.561 1.00 0.00 O ATOM 1369 CB ILE A 88 21.105 16.877 38.128 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.922 17.764 39.357 1.00 0.00 C ATOM 1371 CG2 ILE A 88 21.318 17.731 36.882 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.737 17.247 40.539 1.00 0.00 C ATOM 0 H ILE A 88 20.220 15.513 39.977 1.00 0.00 H new ATOM 0 HA ILE A 88 19.011 16.554 37.760 1.00 0.00 H new ATOM 0 HB ILE A 88 21.990 16.259 38.275 1.00 0.00 H new ATOM 0 HG12 ILE A 88 21.226 18.784 39.121 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.867 17.801 39.628 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.181 18.381 37.029 1.00 0.00 H new ATOM 0 HG22 ILE A 88 21.494 17.084 36.023 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.432 18.340 36.702 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.586 17.900 41.399 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.414 16.236 40.789 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.794 17.235 40.274 1.00 0.00 H new ATOM 1384 N GLY A 89 19.080 14.843 35.958 1.00 0.00 N ATOM 1385 CA GLY A 89 19.161 13.987 34.779 1.00 0.00 C ATOM 1386 C GLY A 89 17.907 13.134 34.641 1.00 0.00 C ATOM 1387 O GLY A 89 17.988 11.932 34.385 1.00 0.00 O ATOM 0 H GLY A 89 18.166 15.270 36.107 1.00 0.00 H new ATOM 0 HA2 GLY A 89 19.289 14.600 33.887 1.00 0.00 H new ATOM 0 HA3 GLY A 89 20.038 13.343 34.851 1.00 0.00 H new ATOM 1391 N ALA A 90 16.746 13.760 34.811 1.00 0.00 N ATOM 1392 CA ALA A 90 15.473 13.054 34.703 1.00 0.00 C ATOM 1393 C ALA A 90 14.329 14.044 34.522 1.00 0.00 C ATOM 1394 O ALA A 90 14.529 15.257 34.583 1.00 0.00 O ATOM 1395 CB ALA A 90 15.237 12.213 35.955 1.00 0.00 C ATOM 0 H ALA A 90 16.660 14.754 35.024 1.00 0.00 H new ATOM 0 HA ALA A 90 15.510 12.400 33.832 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.285 11.689 35.867 1.00 0.00 H new ATOM 0 HB2 ALA A 90 16.043 11.487 36.063 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.215 12.862 36.830 1.00 0.00 H new ATOM 1401 N THR A 91 13.128 13.519 34.300 1.00 0.00 N ATOM 1402 CA THR A 91 11.947 14.356 34.112 1.00 0.00 C ATOM 1403 C THR A 91 10.910 14.053 35.186 1.00 0.00 C ATOM 1404 O THR A 91 10.530 12.900 35.388 1.00 0.00 O ATOM 1405 CB THR A 91 11.349 14.115 32.728 1.00 0.00 C ATOM 1406 OG1 THR A 91 12.302 14.434 31.726 1.00 0.00 O ATOM 1407 CG2 THR A 91 10.085 14.947 32.530 1.00 0.00 C ATOM 0 H THR A 91 12.946 12.517 34.246 1.00 0.00 H new ATOM 0 HA THR A 91 12.243 15.402 34.194 1.00 0.00 H new ATOM 0 HB THR A 91 11.082 13.061 32.648 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.912 14.275 30.841 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.677 14.758 31.537 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.347 14.672 33.284 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.327 16.005 32.628 1.00 0.00 H new ATOM 1415 N TYR A 92 10.457 15.096 35.874 1.00 0.00 N ATOM 1416 CA TYR A 92 9.464 14.943 36.931 1.00 0.00 C ATOM 1417 C TYR A 92 8.276 15.862 36.680 1.00 0.00 C ATOM 1418 O TYR A 92 8.385 17.081 36.807 1.00 0.00 O ATOM 1419 CB TYR A 92 10.094 15.263 38.283 1.00 0.00 C ATOM 1420 CG TYR A 92 11.353 14.474 38.541 1.00 0.00 C ATOM 1421 CD1 TYR A 92 11.304 13.092 38.607 1.00 0.00 C ATOM 1422 CD2 TYR A 92 12.560 15.130 38.710 1.00 0.00 C ATOM 1423 CE1 TYR A 92 12.461 12.368 38.843 1.00 0.00 C ATOM 1424 CE2 TYR A 92 13.716 14.404 38.946 1.00 0.00 C ATOM 1425 CZ TYR A 92 13.661 13.027 39.012 1.00 0.00 C ATOM 1426 OH TYR A 92 14.810 12.308 39.246 1.00 0.00 O ATOM 0 H TYR A 92 10.762 16.057 35.718 1.00 0.00 H new ATOM 0 HA TYR A 92 9.112 13.912 36.935 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.322 16.328 38.330 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.372 15.056 39.073 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.363 12.578 38.474 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.601 16.208 38.658 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.424 11.290 38.895 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.658 14.915 39.078 1.00 0.00 H new ATOM 0 HH TYR A 92 14.741 11.432 38.813 1.00 0.00 H new ATOM 1436 N ALA A 93 7.140 15.270 36.322 1.00 0.00 N ATOM 1437 CA ALA A 93 5.925 16.033 36.052 1.00 0.00 C ATOM 1438 C ALA A 93 4.845 15.121 35.480 1.00 0.00 C ATOM 1439 O ALA A 93 5.083 13.936 35.247 1.00 0.00 O ATOM 1440 CB ALA A 93 6.222 17.164 35.071 1.00 0.00 C ATOM 0 H ALA A 93 7.035 14.261 36.212 1.00 0.00 H new ATOM 0 HA ALA A 93 5.567 16.460 36.989 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.309 17.726 34.877 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.973 17.828 35.498 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.596 16.746 34.136 1.00 0.00 H new ATOM 1446 N PRO A 94 3.637 15.664 35.246 1.00 0.00 N ATOM 1447 CA PRO A 94 2.515 14.890 34.698 1.00 0.00 C ATOM 1448 C PRO A 94 2.665 14.644 33.201 1.00 0.00 C ATOM 1449 O PRO A 94 2.828 13.471 32.804 1.00 0.00 O ATOM 1450 CB PRO A 94 1.296 15.756 34.984 1.00 0.00 C ATOM 1451 CG PRO A 94 1.814 17.155 35.089 1.00 0.00 C ATOM 1452 CD PRO A 94 3.266 17.068 35.496 1.00 0.00 C ATOM 0 HA PRO A 94 2.450 13.898 35.145 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.558 15.670 34.187 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.805 15.449 35.907 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.713 17.675 34.136 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.242 17.722 35.824 1.00 0.00 H new ATOM 0 HD2 PRO A 94 3.883 17.751 34.913 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.401 17.333 36.545 1.00 0.00 H new TER 1460 PRO A 94