USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0842 USER MOD Single : A 8 GLN : amide:sc= -1.9! K(o=-1.9!,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -120:sc= -4.64! (180deg=-8.67!) USER MOD Single : A 26 THR OG1 : rot 38:sc= 0.352 USER MOD Single : A 28 THR OG1 : rot 125:sc= 0.0264 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 36 MET CE :methyl 179:sc= -2.16! (180deg=-2.2!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00109 X(o=-0.0011,f=-0.028) USER MOD Single : A 42 ASN : amide:sc= -1.6! K(o=-1.6!,f=-0.68) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.068 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 53 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.0053) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 143:sc= 0 (180deg=-1.94!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.348 1.679 -0.390 1.00 6.27 N ATOM 2 CA ALA A 1 -16.710 0.718 0.493 1.00 6.70 C ATOM 3 C ALA A 1 -17.265 0.885 1.909 1.00 6.02 C ATOM 4 O ALA A 1 -16.537 1.268 2.824 1.00 6.22 O ATOM 5 CB ALA A 1 -15.192 0.901 0.436 1.00 7.11 C ATOM 0 H1 ALA A 1 -16.973 1.568 -1.353 1.00 6.27 H new ATOM 0 H2 ALA A 1 -18.375 1.515 -0.398 1.00 6.27 H new ATOM 0 H3 ALA A 1 -17.154 2.643 -0.052 1.00 6.27 H new ATOM 0 HA ALA A 1 -16.928 -0.301 0.172 1.00 6.70 H new ATOM 0 HB1 ALA A 1 -14.713 0.180 1.099 1.00 7.11 H new ATOM 0 HB2 ALA A 1 -14.844 0.742 -0.585 1.00 7.11 H new ATOM 0 HB3 ALA A 1 -14.935 1.912 0.754 1.00 7.11 H new ATOM 11 N ASP A 2 -18.549 0.591 2.046 1.00 5.93 N ATOM 12 CA ASP A 2 -19.210 0.704 3.334 1.00 5.84 C ATOM 13 C ASP A 2 -19.119 2.151 3.824 1.00 3.74 C ATOM 14 O ASP A 2 -19.306 2.422 5.009 1.00 4.09 O ATOM 15 CB ASP A 2 -18.540 -0.192 4.378 1.00 7.64 C ATOM 16 CG ASP A 2 -18.968 -1.660 4.342 1.00 9.67 C ATOM 17 OD1 ASP A 2 -20.138 -1.900 3.973 1.00 10.08 O ATOM 18 OD2 ASP A 2 -18.116 -2.508 4.683 1.00 11.01 O ATOM 0 H ASP A 2 -19.150 0.274 1.285 1.00 5.93 H new ATOM 0 HA ASP A 2 -20.248 0.396 3.208 1.00 5.84 H new ATOM 0 HB2 ASP A 2 -17.460 -0.141 4.239 1.00 7.64 H new ATOM 0 HB3 ASP A 2 -18.753 0.209 5.369 1.00 7.64 H new ATOM 23 N GLN A 3 -18.831 3.042 2.887 1.00 2.32 N ATOM 24 CA GLN A 3 -18.712 4.454 3.208 1.00 1.78 C ATOM 25 C GLN A 3 -17.548 4.682 4.175 1.00 1.51 C ATOM 26 O GLN A 3 -17.647 5.501 5.088 1.00 2.58 O ATOM 27 CB GLN A 3 -20.020 4.996 3.787 1.00 2.97 C ATOM 28 CG GLN A 3 -21.125 5.009 2.728 1.00 3.90 C ATOM 29 CD GLN A 3 -22.476 5.368 3.350 1.00 5.74 C ATOM 30 OE1 GLN A 3 -22.678 5.284 4.550 1.00 6.47 O ATOM 31 NE2 GLN A 3 -23.387 5.770 2.468 1.00 6.95 N ATOM 0 H GLN A 3 -18.677 2.813 1.905 1.00 2.32 H new ATOM 0 HA GLN A 3 -18.506 5.000 2.287 1.00 1.78 H new ATOM 0 HB2 GLN A 3 -20.329 4.382 4.633 1.00 2.97 H new ATOM 0 HB3 GLN A 3 -19.863 6.006 4.166 1.00 2.97 H new ATOM 0 HG2 GLN A 3 -20.877 5.728 1.948 1.00 3.90 H new ATOM 0 HG3 GLN A 3 -21.188 4.031 2.251 1.00 3.90 H new ATOM 0 HE21 GLN A 3 -23.151 5.817 1.477 1.00 6.95 H new ATOM 0 HE22 GLN A 3 -24.321 6.031 2.783 1.00 6.95 H new ATOM 40 N LEU A 4 -16.473 3.944 3.942 1.00 0.97 N ATOM 41 CA LEU A 4 -15.292 4.056 4.780 1.00 0.68 C ATOM 42 C LEU A 4 -14.199 4.807 4.017 1.00 0.55 C ATOM 43 O LEU A 4 -13.576 5.721 4.556 1.00 0.64 O ATOM 44 CB LEU A 4 -14.857 2.677 5.280 1.00 0.95 C ATOM 45 CG LEU A 4 -13.365 2.511 5.576 1.00 0.96 C ATOM 46 CD1 LEU A 4 -12.560 2.384 4.282 1.00 1.72 C ATOM 47 CD2 LEU A 4 -12.852 3.649 6.461 1.00 2.60 C ATOM 0 H LEU A 4 -16.395 3.266 3.184 1.00 0.97 H new ATOM 0 HA LEU A 4 -15.514 4.638 5.674 1.00 0.68 H new ATOM 0 HB2 LEU A 4 -15.415 2.449 6.188 1.00 0.95 H new ATOM 0 HB3 LEU A 4 -15.144 1.935 4.535 1.00 0.95 H new ATOM 0 HG LEU A 4 -13.228 1.584 6.132 1.00 0.96 H new ATOM 0 HD11 LEU A 4 -11.503 2.267 4.521 1.00 1.72 H new ATOM 0 HD12 LEU A 4 -12.904 1.514 3.723 1.00 1.72 H new ATOM 0 HD13 LEU A 4 -12.698 3.281 3.678 1.00 1.72 H new ATOM 0 HD21 LEU A 4 -11.789 3.507 6.656 1.00 2.60 H new ATOM 0 HD22 LEU A 4 -13.004 4.601 5.953 1.00 2.60 H new ATOM 0 HD23 LEU A 4 -13.397 3.650 7.405 1.00 2.60 H new ATOM 59 N THR A 5 -13.999 4.393 2.774 1.00 0.82 N ATOM 60 CA THR A 5 -12.992 5.015 1.931 1.00 0.84 C ATOM 61 C THR A 5 -13.018 6.536 2.103 1.00 0.62 C ATOM 62 O THR A 5 -11.993 7.198 1.952 1.00 0.51 O ATOM 63 CB THR A 5 -13.236 4.563 0.491 1.00 1.17 C ATOM 64 OG1 THR A 5 -12.083 5.013 -0.215 1.00 2.34 O ATOM 65 CG2 THR A 5 -14.394 5.313 -0.171 1.00 1.40 C ATOM 0 H THR A 5 -14.517 3.635 2.331 1.00 0.82 H new ATOM 0 HA THR A 5 -11.988 4.703 2.219 1.00 0.84 H new ATOM 0 HB THR A 5 -13.442 3.493 0.478 1.00 1.17 H new ATOM 0 HG1 THR A 5 -12.158 4.760 -1.159 1.00 2.34 H new ATOM 0 HG21 THR A 5 -14.524 4.953 -1.192 1.00 1.40 H new ATOM 0 HG22 THR A 5 -15.310 5.140 0.394 1.00 1.40 H new ATOM 0 HG23 THR A 5 -14.174 6.380 -0.188 1.00 1.40 H new ATOM 73 N GLU A 6 -14.200 7.044 2.418 1.00 0.70 N ATOM 74 CA GLU A 6 -14.373 8.473 2.612 1.00 0.68 C ATOM 75 C GLU A 6 -13.367 8.994 3.640 1.00 0.50 C ATOM 76 O GLU A 6 -12.548 9.858 3.330 1.00 0.52 O ATOM 77 CB GLU A 6 -15.807 8.800 3.033 1.00 0.94 C ATOM 78 CG GLU A 6 -16.037 10.312 3.066 1.00 1.18 C ATOM 79 CD GLU A 6 -17.531 10.641 3.014 1.00 1.77 C ATOM 80 OE1 GLU A 6 -18.229 9.983 2.212 1.00 2.79 O ATOM 81 OE2 GLU A 6 -17.941 11.541 3.777 1.00 2.46 O ATOM 0 H GLU A 6 -15.048 6.491 2.544 1.00 0.70 H new ATOM 0 HA GLU A 6 -14.186 8.974 1.662 1.00 0.68 H new ATOM 0 HB2 GLU A 6 -16.508 8.337 2.339 1.00 0.94 H new ATOM 0 HB3 GLU A 6 -16.006 8.377 4.017 1.00 0.94 H new ATOM 0 HG2 GLU A 6 -15.600 10.730 3.973 1.00 1.18 H new ATOM 0 HG3 GLU A 6 -15.529 10.779 2.223 1.00 1.18 H new ATOM 88 N GLU A 7 -13.462 8.448 4.843 1.00 0.46 N ATOM 89 CA GLU A 7 -12.570 8.847 5.919 1.00 0.45 C ATOM 90 C GLU A 7 -11.143 8.381 5.626 1.00 0.42 C ATOM 91 O GLU A 7 -10.181 9.076 5.947 1.00 0.52 O ATOM 92 CB GLU A 7 -13.058 8.306 7.265 1.00 0.58 C ATOM 93 CG GLU A 7 -13.321 6.801 7.187 1.00 0.86 C ATOM 94 CD GLU A 7 -13.237 6.158 8.573 1.00 1.25 C ATOM 95 OE1 GLU A 7 -14.173 6.394 9.367 1.00 2.10 O ATOM 96 OE2 GLU A 7 -12.237 5.444 8.808 1.00 2.30 O ATOM 0 H GLU A 7 -14.143 7.732 5.097 1.00 0.46 H new ATOM 0 HA GLU A 7 -12.571 9.935 5.980 1.00 0.45 H new ATOM 0 HB2 GLU A 7 -12.313 8.509 8.035 1.00 0.58 H new ATOM 0 HB3 GLU A 7 -13.971 8.824 7.560 1.00 0.58 H new ATOM 0 HG2 GLU A 7 -14.307 6.622 6.758 1.00 0.86 H new ATOM 0 HG3 GLU A 7 -12.595 6.335 6.521 1.00 0.86 H new ATOM 103 N GLN A 8 -11.051 7.206 5.019 1.00 0.41 N ATOM 104 CA GLN A 8 -9.757 6.639 4.679 1.00 0.47 C ATOM 105 C GLN A 8 -9.009 7.564 3.716 1.00 0.46 C ATOM 106 O GLN A 8 -7.919 8.040 4.028 1.00 0.62 O ATOM 107 CB GLN A 8 -9.911 5.238 4.085 1.00 0.56 C ATOM 108 CG GLN A 8 -8.566 4.511 4.039 1.00 1.74 C ATOM 109 CD GLN A 8 -7.936 4.434 5.431 1.00 2.27 C ATOM 110 OE1 GLN A 8 -8.109 3.476 6.167 1.00 2.89 O ATOM 111 NE2 GLN A 8 -7.198 5.493 5.750 1.00 3.71 N ATOM 0 H GLN A 8 -11.851 6.632 4.754 1.00 0.41 H new ATOM 0 HA GLN A 8 -9.171 6.547 5.593 1.00 0.47 H new ATOM 0 HB2 GLN A 8 -10.619 4.662 4.681 1.00 0.56 H new ATOM 0 HB3 GLN A 8 -10.325 5.309 3.079 1.00 0.56 H new ATOM 0 HG2 GLN A 8 -8.706 3.505 3.643 1.00 1.74 H new ATOM 0 HG3 GLN A 8 -7.891 5.030 3.359 1.00 1.74 H new ATOM 0 HE21 GLN A 8 -7.095 6.261 5.087 1.00 3.71 H new ATOM 0 HE22 GLN A 8 -6.735 5.537 6.658 1.00 3.71 H new ATOM 120 N ILE A 9 -9.624 7.789 2.565 1.00 0.38 N ATOM 121 CA ILE A 9 -9.030 8.648 1.554 1.00 0.39 C ATOM 122 C ILE A 9 -8.451 9.894 2.227 1.00 0.38 C ATOM 123 O ILE A 9 -7.381 10.368 1.846 1.00 0.49 O ATOM 124 CB ILE A 9 -10.045 8.959 0.452 1.00 0.46 C ATOM 125 CG1 ILE A 9 -10.357 7.711 -0.375 1.00 1.52 C ATOM 126 CG2 ILE A 9 -9.566 10.121 -0.421 1.00 2.03 C ATOM 127 CD1 ILE A 9 -9.217 7.398 -1.347 1.00 2.86 C ATOM 0 H ILE A 9 -10.528 7.392 2.309 1.00 0.38 H new ATOM 0 HA ILE A 9 -8.203 8.139 1.059 1.00 0.39 H new ATOM 0 HB ILE A 9 -10.976 9.273 0.924 1.00 0.46 H new ATOM 0 HG12 ILE A 9 -10.517 6.861 0.289 1.00 1.52 H new ATOM 0 HG13 ILE A 9 -11.283 7.861 -0.931 1.00 1.52 H new ATOM 0 HG21 ILE A 9 -10.305 10.322 -1.197 1.00 2.03 H new ATOM 0 HG22 ILE A 9 -9.436 11.010 0.196 1.00 2.03 H new ATOM 0 HG23 ILE A 9 -8.615 9.859 -0.885 1.00 2.03 H new ATOM 0 HD11 ILE A 9 -9.464 6.506 -1.923 1.00 2.86 H new ATOM 0 HD12 ILE A 9 -9.075 8.240 -2.025 1.00 2.86 H new ATOM 0 HD13 ILE A 9 -8.298 7.225 -0.787 1.00 2.86 H new ATOM 139 N ALA A 10 -9.182 10.388 3.214 1.00 0.38 N ATOM 140 CA ALA A 10 -8.754 11.570 3.943 1.00 0.42 C ATOM 141 C ALA A 10 -7.308 11.382 4.408 1.00 0.44 C ATOM 142 O ALA A 10 -6.434 12.176 4.066 1.00 0.50 O ATOM 143 CB ALA A 10 -9.712 11.827 5.108 1.00 0.44 C ATOM 0 H ALA A 10 -10.068 9.992 3.527 1.00 0.38 H new ATOM 0 HA ALA A 10 -8.782 12.449 3.298 1.00 0.42 H new ATOM 0 HB1 ALA A 10 -9.391 12.714 5.655 1.00 0.44 H new ATOM 0 HB2 ALA A 10 -10.720 11.984 4.723 1.00 0.44 H new ATOM 0 HB3 ALA A 10 -9.709 10.967 5.778 1.00 0.44 H new ATOM 149 N GLU A 11 -7.102 10.326 5.181 1.00 0.48 N ATOM 150 CA GLU A 11 -5.778 10.023 5.696 1.00 0.57 C ATOM 151 C GLU A 11 -4.864 9.545 4.565 1.00 0.51 C ATOM 152 O GLU A 11 -3.722 9.988 4.456 1.00 0.54 O ATOM 153 CB GLU A 11 -5.850 8.985 6.818 1.00 0.71 C ATOM 154 CG GLU A 11 -6.265 9.634 8.140 1.00 1.02 C ATOM 155 CD GLU A 11 -7.122 8.679 8.974 1.00 1.51 C ATOM 156 OE1 GLU A 11 -6.518 7.888 9.730 1.00 1.77 O ATOM 157 OE2 GLU A 11 -8.362 8.762 8.836 1.00 2.97 O ATOM 0 H GLU A 11 -7.830 9.670 5.463 1.00 0.48 H new ATOM 0 HA GLU A 11 -5.356 10.936 6.116 1.00 0.57 H new ATOM 0 HB2 GLU A 11 -6.564 8.205 6.552 1.00 0.71 H new ATOM 0 HB3 GLU A 11 -4.880 8.502 6.935 1.00 0.71 H new ATOM 0 HG2 GLU A 11 -5.377 9.918 8.704 1.00 1.02 H new ATOM 0 HG3 GLU A 11 -6.823 10.549 7.941 1.00 1.02 H new ATOM 164 N PHE A 12 -5.402 8.648 3.752 1.00 0.46 N ATOM 165 CA PHE A 12 -4.650 8.106 2.633 1.00 0.46 C ATOM 166 C PHE A 12 -4.073 9.226 1.766 1.00 0.43 C ATOM 167 O PHE A 12 -3.017 9.062 1.156 1.00 0.52 O ATOM 168 CB PHE A 12 -5.629 7.281 1.794 1.00 0.47 C ATOM 169 CG PHE A 12 -5.353 5.776 1.817 1.00 0.77 C ATOM 170 CD1 PHE A 12 -5.401 5.094 2.993 1.00 0.89 C ATOM 171 CD2 PHE A 12 -5.060 5.121 0.662 1.00 1.40 C ATOM 172 CE1 PHE A 12 -5.145 3.697 3.014 1.00 1.24 C ATOM 173 CE2 PHE A 12 -4.803 3.725 0.683 1.00 1.87 C ATOM 174 CZ PHE A 12 -4.851 3.042 1.859 1.00 1.69 C ATOM 0 H PHE A 12 -6.350 8.283 3.846 1.00 0.46 H new ATOM 0 HA PHE A 12 -3.820 7.503 3.000 1.00 0.46 H new ATOM 0 HB2 PHE A 12 -6.642 7.460 2.155 1.00 0.47 H new ATOM 0 HB3 PHE A 12 -5.592 7.631 0.762 1.00 0.47 H new ATOM 0 HD1 PHE A 12 -5.634 5.614 3.910 1.00 0.89 H new ATOM 0 HD2 PHE A 12 -5.023 5.663 -0.271 1.00 1.40 H new ATOM 0 HE1 PHE A 12 -5.184 3.155 3.947 1.00 1.24 H new ATOM 0 HE2 PHE A 12 -4.569 3.205 -0.234 1.00 1.87 H new ATOM 0 HZ PHE A 12 -4.656 1.980 1.875 1.00 1.69 H new ATOM 184 N LYS A 13 -4.790 10.340 1.740 1.00 0.42 N ATOM 185 CA LYS A 13 -4.362 11.487 0.958 1.00 0.44 C ATOM 186 C LYS A 13 -2.991 11.953 1.452 1.00 0.49 C ATOM 187 O LYS A 13 -2.023 11.962 0.692 1.00 0.52 O ATOM 188 CB LYS A 13 -5.430 12.583 0.984 1.00 0.44 C ATOM 189 CG LYS A 13 -5.280 13.524 -0.213 1.00 0.65 C ATOM 190 CD LYS A 13 -6.271 13.163 -1.321 1.00 1.00 C ATOM 191 CE LYS A 13 -7.680 13.650 -0.977 1.00 1.45 C ATOM 192 NZ LYS A 13 -8.467 13.872 -2.211 1.00 2.15 N ATOM 0 H LYS A 13 -5.665 10.472 2.248 1.00 0.42 H new ATOM 0 HA LYS A 13 -4.247 11.211 -0.090 1.00 0.44 H new ATOM 0 HB2 LYS A 13 -6.421 12.130 0.973 1.00 0.44 H new ATOM 0 HB3 LYS A 13 -5.350 13.152 1.910 1.00 0.44 H new ATOM 0 HG2 LYS A 13 -5.445 14.553 0.106 1.00 0.65 H new ATOM 0 HG3 LYS A 13 -4.262 13.469 -0.598 1.00 0.65 H new ATOM 0 HD2 LYS A 13 -5.948 13.609 -2.262 1.00 1.00 H new ATOM 0 HD3 LYS A 13 -6.281 12.083 -1.467 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -8.181 12.916 -0.346 1.00 1.45 H new ATOM 0 HE3 LYS A 13 -7.622 14.576 -0.404 1.00 1.45 H new ATOM 0 HZ1 LYS A 13 -9.421 14.202 -1.960 1.00 2.15 H new ATOM 0 HZ2 LYS A 13 -7.996 14.589 -2.799 1.00 2.15 H new ATOM 0 HZ3 LYS A 13 -8.538 12.981 -2.742 1.00 2.15 H new ATOM 206 N GLU A 14 -2.951 12.328 2.722 1.00 0.54 N ATOM 207 CA GLU A 14 -1.715 12.794 3.326 1.00 0.62 C ATOM 208 C GLU A 14 -0.733 11.632 3.491 1.00 0.62 C ATOM 209 O GLU A 14 0.475 11.808 3.341 1.00 0.68 O ATOM 210 CB GLU A 14 -1.984 13.478 4.668 1.00 0.72 C ATOM 211 CG GLU A 14 -0.921 14.537 4.967 1.00 1.38 C ATOM 212 CD GLU A 14 -1.203 15.829 4.197 1.00 2.69 C ATOM 213 OE1 GLU A 14 -2.399 16.174 4.085 1.00 3.49 O ATOM 214 OE2 GLU A 14 -0.215 16.443 3.738 1.00 4.04 O ATOM 0 H GLU A 14 -3.755 12.319 3.349 1.00 0.54 H new ATOM 0 HA GLU A 14 -1.266 13.533 2.662 1.00 0.62 H new ATOM 0 HB2 GLU A 14 -2.970 13.942 4.652 1.00 0.72 H new ATOM 0 HB3 GLU A 14 -1.995 12.733 5.464 1.00 0.72 H new ATOM 0 HG2 GLU A 14 -0.900 14.744 6.037 1.00 1.38 H new ATOM 0 HG3 GLU A 14 0.064 14.156 4.697 1.00 1.38 H new ATOM 221 N ALA A 15 -1.289 10.469 3.797 1.00 0.62 N ATOM 222 CA ALA A 15 -0.479 9.277 3.983 1.00 0.68 C ATOM 223 C ALA A 15 0.255 8.956 2.680 1.00 0.62 C ATOM 224 O ALA A 15 1.438 8.618 2.696 1.00 0.59 O ATOM 225 CB ALA A 15 -1.367 8.123 4.453 1.00 0.74 C ATOM 0 H ALA A 15 -2.291 10.327 3.921 1.00 0.62 H new ATOM 0 HA ALA A 15 0.274 9.442 4.753 1.00 0.68 H new ATOM 0 HB1 ALA A 15 -0.759 7.229 4.592 1.00 0.74 H new ATOM 0 HB2 ALA A 15 -1.841 8.390 5.397 1.00 0.74 H new ATOM 0 HB3 ALA A 15 -2.135 7.926 3.705 1.00 0.74 H new ATOM 231 N PHE A 16 -0.477 9.072 1.582 1.00 0.66 N ATOM 232 CA PHE A 16 0.089 8.798 0.272 1.00 0.67 C ATOM 233 C PHE A 16 1.543 9.268 0.194 1.00 0.56 C ATOM 234 O PHE A 16 2.414 8.527 -0.260 1.00 0.60 O ATOM 235 CB PHE A 16 -0.742 9.580 -0.747 1.00 0.78 C ATOM 236 CG PHE A 16 -0.314 9.360 -2.199 1.00 0.89 C ATOM 237 CD1 PHE A 16 -0.434 8.128 -2.764 1.00 0.70 C ATOM 238 CD2 PHE A 16 0.186 10.395 -2.926 1.00 1.48 C ATOM 239 CE1 PHE A 16 -0.037 7.924 -4.112 1.00 0.93 C ATOM 240 CE2 PHE A 16 0.583 10.191 -4.274 1.00 1.74 C ATOM 241 CZ PHE A 16 0.463 8.959 -4.838 1.00 1.41 C ATOM 0 H PHE A 16 -1.458 9.352 1.573 1.00 0.66 H new ATOM 0 HA PHE A 16 0.070 7.726 0.076 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -1.789 9.297 -0.641 1.00 0.78 H new ATOM 0 HB3 PHE A 16 -0.675 10.643 -0.516 1.00 0.78 H new ATOM 0 HD1 PHE A 16 -0.831 7.306 -2.187 1.00 0.70 H new ATOM 0 HD2 PHE A 16 0.281 11.373 -2.478 1.00 1.48 H new ATOM 0 HE1 PHE A 16 -0.132 6.946 -4.561 1.00 0.93 H new ATOM 0 HE2 PHE A 16 0.980 11.013 -4.851 1.00 1.74 H new ATOM 0 HZ PHE A 16 0.765 8.803 -5.863 1.00 1.41 H new ATOM 251 N SER A 17 1.760 10.495 0.644 1.00 0.54 N ATOM 252 CA SER A 17 3.094 11.072 0.631 1.00 0.49 C ATOM 253 C SER A 17 4.114 10.041 1.117 1.00 0.41 C ATOM 254 O SER A 17 5.121 9.798 0.454 1.00 0.43 O ATOM 255 CB SER A 17 3.157 12.332 1.496 1.00 0.55 C ATOM 256 OG SER A 17 4.307 13.122 1.206 1.00 1.43 O ATOM 0 H SER A 17 1.035 11.106 1.020 1.00 0.54 H new ATOM 0 HA SER A 17 3.335 11.356 -0.393 1.00 0.49 H new ATOM 0 HB2 SER A 17 2.258 12.927 1.335 1.00 0.55 H new ATOM 0 HB3 SER A 17 3.168 12.049 2.549 1.00 0.55 H new ATOM 0 HG SER A 17 4.310 13.918 1.778 1.00 1.43 H new ATOM 262 N LEU A 18 3.819 9.463 2.272 1.00 0.41 N ATOM 263 CA LEU A 18 4.698 8.464 2.856 1.00 0.43 C ATOM 264 C LEU A 18 4.628 7.181 2.025 1.00 0.47 C ATOM 265 O LEU A 18 5.635 6.735 1.478 1.00 0.61 O ATOM 266 CB LEU A 18 4.368 8.258 4.335 1.00 0.44 C ATOM 267 CG LEU A 18 4.436 9.506 5.218 1.00 0.49 C ATOM 268 CD1 LEU A 18 3.596 9.328 6.484 1.00 0.60 C ATOM 269 CD2 LEU A 18 5.887 9.872 5.539 1.00 0.50 C ATOM 0 H LEU A 18 2.983 9.668 2.820 1.00 0.41 H new ATOM 0 HA LEU A 18 5.733 8.805 2.830 1.00 0.43 H new ATOM 0 HB2 LEU A 18 3.364 7.840 4.408 1.00 0.44 H new ATOM 0 HB3 LEU A 18 5.054 7.513 4.739 1.00 0.44 H new ATOM 0 HG LEU A 18 4.009 10.341 4.663 1.00 0.49 H new ATOM 0 HD11 LEU A 18 3.662 10.229 7.094 1.00 0.60 H new ATOM 0 HD12 LEU A 18 2.556 9.151 6.209 1.00 0.60 H new ATOM 0 HD13 LEU A 18 3.971 8.477 7.053 1.00 0.60 H new ATOM 0 HD21 LEU A 18 5.907 10.762 6.168 1.00 0.50 H new ATOM 0 HD22 LEU A 18 6.363 9.045 6.066 1.00 0.50 H new ATOM 0 HD23 LEU A 18 6.426 10.070 4.612 1.00 0.50 H new ATOM 281 N PHE A 19 3.428 6.623 1.957 1.00 0.43 N ATOM 282 CA PHE A 19 3.212 5.400 1.203 1.00 0.57 C ATOM 283 C PHE A 19 4.040 5.397 -0.084 1.00 0.53 C ATOM 284 O PHE A 19 4.579 4.364 -0.477 1.00 0.73 O ATOM 285 CB PHE A 19 1.727 5.354 0.840 1.00 0.68 C ATOM 286 CG PHE A 19 0.792 5.284 2.049 1.00 1.35 C ATOM 287 CD1 PHE A 19 1.295 5.001 3.281 1.00 1.78 C ATOM 288 CD2 PHE A 19 -0.541 5.504 1.893 1.00 2.48 C ATOM 289 CE1 PHE A 19 0.428 4.936 4.404 1.00 2.54 C ATOM 290 CE2 PHE A 19 -1.408 5.438 3.015 1.00 3.24 C ATOM 291 CZ PHE A 19 -0.905 5.156 4.247 1.00 3.04 C ATOM 0 H PHE A 19 2.595 6.996 2.412 1.00 0.43 H new ATOM 0 HA PHE A 19 3.511 4.538 1.799 1.00 0.57 H new ATOM 0 HB2 PHE A 19 1.480 6.239 0.253 1.00 0.68 H new ATOM 0 HB3 PHE A 19 1.546 4.488 0.203 1.00 0.68 H new ATOM 0 HD1 PHE A 19 2.353 4.826 3.405 1.00 1.78 H new ATOM 0 HD2 PHE A 19 -0.940 5.729 0.915 1.00 2.48 H new ATOM 0 HE1 PHE A 19 0.827 4.712 5.382 1.00 2.54 H new ATOM 0 HE2 PHE A 19 -2.467 5.612 2.891 1.00 3.24 H new ATOM 0 HZ PHE A 19 -1.564 5.107 5.101 1.00 3.04 H new ATOM 301 N ASP A 20 4.114 6.565 -0.705 1.00 0.39 N ATOM 302 CA ASP A 20 4.867 6.710 -1.939 1.00 0.42 C ATOM 303 C ASP A 20 6.204 7.391 -1.639 1.00 0.46 C ATOM 304 O ASP A 20 6.256 8.603 -1.437 1.00 0.81 O ATOM 305 CB ASP A 20 4.111 7.578 -2.947 1.00 0.61 C ATOM 306 CG ASP A 20 4.652 7.528 -4.377 1.00 0.67 C ATOM 307 OD1 ASP A 20 5.451 6.607 -4.650 1.00 0.71 O ATOM 308 OD2 ASP A 20 4.254 8.413 -5.165 1.00 1.09 O ATOM 0 H ASP A 20 3.665 7.420 -0.377 1.00 0.39 H new ATOM 0 HA ASP A 20 5.018 5.716 -2.360 1.00 0.42 H new ATOM 0 HB2 ASP A 20 3.066 7.268 -2.959 1.00 0.61 H new ATOM 0 HB3 ASP A 20 4.133 8.612 -2.602 1.00 0.61 H new ATOM 313 N LYS A 21 7.253 6.581 -1.620 1.00 0.56 N ATOM 314 CA LYS A 21 8.586 7.090 -1.348 1.00 0.72 C ATOM 315 C LYS A 21 9.080 7.887 -2.557 1.00 0.64 C ATOM 316 O LYS A 21 9.346 9.083 -2.450 1.00 0.94 O ATOM 317 CB LYS A 21 9.522 5.951 -0.940 1.00 0.99 C ATOM 318 CG LYS A 21 8.823 4.985 0.020 1.00 0.70 C ATOM 319 CD LYS A 21 8.232 5.733 1.217 1.00 1.05 C ATOM 320 CE LYS A 21 7.254 4.845 1.989 1.00 1.20 C ATOM 321 NZ LYS A 21 7.919 3.596 2.422 1.00 2.48 N ATOM 0 H LYS A 21 7.206 5.576 -1.789 1.00 0.56 H new ATOM 0 HA LYS A 21 8.566 7.775 -0.500 1.00 0.72 H new ATOM 0 HB2 LYS A 21 9.853 5.412 -1.828 1.00 0.99 H new ATOM 0 HB3 LYS A 21 10.413 6.360 -0.465 1.00 0.99 H new ATOM 0 HG2 LYS A 21 8.032 4.452 -0.507 1.00 0.70 H new ATOM 0 HG3 LYS A 21 9.534 4.236 0.369 1.00 0.70 H new ATOM 0 HD2 LYS A 21 9.034 6.058 1.879 1.00 1.05 H new ATOM 0 HD3 LYS A 21 7.719 6.631 0.872 1.00 1.05 H new ATOM 0 HE2 LYS A 21 6.874 5.382 2.858 1.00 1.20 H new ATOM 0 HE3 LYS A 21 6.395 4.608 1.361 1.00 1.20 H new ATOM 0 HZ1 LYS A 21 7.426 2.779 2.008 1.00 2.48 H new ATOM 0 HZ2 LYS A 21 8.909 3.601 2.103 1.00 2.48 H new ATOM 0 HZ3 LYS A 21 7.890 3.529 3.459 1.00 2.48 H new ATOM 335 N ASP A 22 9.186 7.193 -3.680 1.00 0.59 N ATOM 336 CA ASP A 22 9.642 7.821 -4.908 1.00 0.60 C ATOM 337 C ASP A 22 8.932 9.165 -5.083 1.00 0.52 C ATOM 338 O ASP A 22 9.575 10.213 -5.098 1.00 0.69 O ATOM 339 CB ASP A 22 9.317 6.953 -6.125 1.00 0.74 C ATOM 340 CG ASP A 22 10.454 6.042 -6.593 1.00 1.45 C ATOM 341 OD1 ASP A 22 11.578 6.569 -6.741 1.00 2.37 O ATOM 342 OD2 ASP A 22 10.174 4.841 -6.791 1.00 1.70 O ATOM 0 H ASP A 22 8.964 6.201 -3.765 1.00 0.59 H new ATOM 0 HA ASP A 22 10.722 7.953 -4.838 1.00 0.60 H new ATOM 0 HB2 ASP A 22 8.450 6.335 -5.891 1.00 0.74 H new ATOM 0 HB3 ASP A 22 9.030 7.604 -6.951 1.00 0.74 H new ATOM 347 N GLY A 23 7.616 9.090 -5.211 1.00 0.49 N ATOM 348 CA GLY A 23 6.812 10.288 -5.384 1.00 0.51 C ATOM 349 C GLY A 23 6.437 10.489 -6.854 1.00 0.60 C ATOM 350 O GLY A 23 6.429 11.616 -7.348 1.00 0.75 O ATOM 0 H GLY A 23 7.086 8.219 -5.198 1.00 0.49 H new ATOM 0 HA2 GLY A 23 5.907 10.213 -4.781 1.00 0.51 H new ATOM 0 HA3 GLY A 23 7.364 11.156 -5.024 1.00 0.51 H new ATOM 354 N ASP A 24 6.135 9.379 -7.512 1.00 0.59 N ATOM 355 CA ASP A 24 5.760 9.420 -8.915 1.00 0.73 C ATOM 356 C ASP A 24 4.272 9.089 -9.051 1.00 0.76 C ATOM 357 O ASP A 24 3.581 9.660 -9.893 1.00 1.35 O ATOM 358 CB ASP A 24 6.549 8.389 -9.725 1.00 0.81 C ATOM 359 CG ASP A 24 6.808 7.063 -9.008 1.00 0.82 C ATOM 360 OD1 ASP A 24 5.978 6.716 -8.139 1.00 0.74 O ATOM 361 OD2 ASP A 24 7.828 6.425 -9.345 1.00 1.42 O ATOM 0 H ASP A 24 6.142 8.446 -7.099 1.00 0.59 H new ATOM 0 HA ASP A 24 5.976 10.419 -9.293 1.00 0.73 H new ATOM 0 HB2 ASP A 24 6.009 8.185 -10.649 1.00 0.81 H new ATOM 0 HB3 ASP A 24 7.507 8.826 -10.006 1.00 0.81 H new ATOM 366 N GLY A 25 3.824 8.170 -8.209 1.00 0.50 N ATOM 367 CA GLY A 25 2.431 7.757 -8.225 1.00 0.55 C ATOM 368 C GLY A 25 2.311 6.232 -8.247 1.00 0.60 C ATOM 369 O GLY A 25 1.448 5.683 -8.930 1.00 1.13 O ATOM 0 H GLY A 25 4.401 7.700 -7.511 1.00 0.50 H new ATOM 0 HA2 GLY A 25 1.921 8.153 -7.347 1.00 0.55 H new ATOM 0 HA3 GLY A 25 1.934 8.177 -9.099 1.00 0.55 H new ATOM 373 N THR A 26 3.189 5.590 -7.490 1.00 0.39 N ATOM 374 CA THR A 26 3.193 4.139 -7.414 1.00 0.39 C ATOM 375 C THR A 26 3.959 3.672 -6.175 1.00 0.36 C ATOM 376 O THR A 26 5.140 3.977 -6.019 1.00 0.48 O ATOM 377 CB THR A 26 3.769 3.599 -8.725 1.00 0.43 C ATOM 378 OG1 THR A 26 4.779 4.541 -9.074 1.00 0.96 O ATOM 379 CG2 THR A 26 2.770 3.677 -9.880 1.00 0.95 C ATOM 0 H THR A 26 3.903 6.048 -6.924 1.00 0.39 H new ATOM 0 HA THR A 26 2.183 3.746 -7.300 1.00 0.39 H new ATOM 0 HB THR A 26 4.081 2.564 -8.585 1.00 0.43 H new ATOM 0 HG1 THR A 26 5.237 4.845 -8.263 1.00 0.96 H new ATOM 0 HG21 THR A 26 3.229 3.281 -10.786 1.00 0.95 H new ATOM 0 HG22 THR A 26 1.885 3.090 -9.636 1.00 0.95 H new ATOM 0 HG23 THR A 26 2.483 4.716 -10.043 1.00 0.95 H new ATOM 387 N ILE A 27 3.255 2.939 -5.325 1.00 0.37 N ATOM 388 CA ILE A 27 3.854 2.426 -4.105 1.00 0.38 C ATOM 389 C ILE A 27 4.637 1.151 -4.422 1.00 0.37 C ATOM 390 O ILE A 27 4.151 0.045 -4.189 1.00 0.55 O ATOM 391 CB ILE A 27 2.788 2.240 -3.022 1.00 0.39 C ATOM 392 CG1 ILE A 27 2.406 3.581 -2.393 1.00 0.51 C ATOM 393 CG2 ILE A 27 3.244 1.223 -1.974 1.00 0.41 C ATOM 394 CD1 ILE A 27 1.411 4.338 -3.275 1.00 0.89 C ATOM 0 H ILE A 27 2.275 2.688 -5.457 1.00 0.37 H new ATOM 0 HA ILE A 27 4.566 3.145 -3.700 1.00 0.38 H new ATOM 0 HB ILE A 27 1.890 1.838 -3.491 1.00 0.39 H new ATOM 0 HG12 ILE A 27 1.970 3.413 -1.408 1.00 0.51 H new ATOM 0 HG13 ILE A 27 3.301 4.186 -2.247 1.00 0.51 H new ATOM 0 HG21 ILE A 27 2.469 1.109 -1.216 1.00 0.41 H new ATOM 0 HG22 ILE A 27 3.425 0.262 -2.455 1.00 0.41 H new ATOM 0 HG23 ILE A 27 4.163 1.573 -1.504 1.00 0.41 H new ATOM 0 HD11 ILE A 27 1.157 5.288 -2.804 1.00 0.89 H new ATOM 0 HD12 ILE A 27 1.859 4.525 -4.251 1.00 0.89 H new ATOM 0 HD13 ILE A 27 0.508 3.741 -3.399 1.00 0.89 H new ATOM 406 N THR A 28 5.836 1.347 -4.951 1.00 0.33 N ATOM 407 CA THR A 28 6.691 0.226 -5.303 1.00 0.38 C ATOM 408 C THR A 28 6.696 -0.814 -4.181 1.00 0.33 C ATOM 409 O THR A 28 6.689 -0.461 -3.002 1.00 0.33 O ATOM 410 CB THR A 28 8.081 0.776 -5.628 1.00 0.51 C ATOM 411 OG1 THR A 28 7.861 1.639 -6.740 1.00 0.82 O ATOM 412 CG2 THR A 28 9.023 -0.300 -6.173 1.00 0.59 C ATOM 0 H THR A 28 6.236 2.265 -5.144 1.00 0.33 H new ATOM 0 HA THR A 28 6.317 -0.295 -6.184 1.00 0.38 H new ATOM 0 HB THR A 28 8.515 1.219 -4.732 1.00 0.51 H new ATOM 0 HG1 THR A 28 8.213 2.531 -6.537 1.00 0.82 H new ATOM 0 HG21 THR A 28 9.996 0.143 -6.387 1.00 0.59 H new ATOM 0 HG22 THR A 28 9.140 -1.091 -5.432 1.00 0.59 H new ATOM 0 HG23 THR A 28 8.605 -0.719 -7.088 1.00 0.59 H new ATOM 420 N THR A 29 6.709 -2.075 -4.586 1.00 0.37 N ATOM 421 CA THR A 29 6.715 -3.169 -3.629 1.00 0.38 C ATOM 422 C THR A 29 7.721 -2.892 -2.510 1.00 0.34 C ATOM 423 O THR A 29 7.383 -2.982 -1.331 1.00 0.37 O ATOM 424 CB THR A 29 6.997 -4.464 -4.393 1.00 0.50 C ATOM 425 OG1 THR A 29 8.314 -4.284 -4.908 1.00 0.52 O ATOM 426 CG2 THR A 29 6.125 -4.609 -5.642 1.00 0.58 C ATOM 0 H THR A 29 6.716 -2.364 -5.564 1.00 0.37 H new ATOM 0 HA THR A 29 5.748 -3.270 -3.137 1.00 0.38 H new ATOM 0 HB THR A 29 6.832 -5.317 -3.734 1.00 0.50 H new ATOM 0 HG1 THR A 29 8.578 -5.079 -5.417 1.00 0.52 H new ATOM 0 HG21 THR A 29 6.365 -5.545 -6.147 1.00 0.58 H new ATOM 0 HG22 THR A 29 5.074 -4.612 -5.354 1.00 0.58 H new ATOM 0 HG23 THR A 29 6.314 -3.774 -6.317 1.00 0.58 H new ATOM 434 N LYS A 30 8.937 -2.562 -2.919 1.00 0.42 N ATOM 435 CA LYS A 30 9.994 -2.272 -1.965 1.00 0.53 C ATOM 436 C LYS A 30 9.562 -1.109 -1.069 1.00 0.53 C ATOM 437 O LYS A 30 9.869 -1.091 0.122 1.00 0.62 O ATOM 438 CB LYS A 30 11.319 -2.028 -2.692 1.00 0.69 C ATOM 439 CG LYS A 30 11.388 -0.603 -3.243 1.00 0.96 C ATOM 440 CD LYS A 30 12.377 -0.512 -4.406 1.00 1.00 C ATOM 441 CE LYS A 30 13.788 -0.201 -3.903 1.00 1.82 C ATOM 442 NZ LYS A 30 14.451 0.778 -4.794 1.00 2.19 N ATOM 0 H LYS A 30 9.214 -2.489 -3.898 1.00 0.42 H new ATOM 0 HA LYS A 30 10.166 -3.130 -1.315 1.00 0.53 H new ATOM 0 HB2 LYS A 30 12.150 -2.198 -2.007 1.00 0.69 H new ATOM 0 HB3 LYS A 30 11.427 -2.743 -3.508 1.00 0.69 H new ATOM 0 HG2 LYS A 30 10.399 -0.290 -3.577 1.00 0.96 H new ATOM 0 HG3 LYS A 30 11.689 0.083 -2.451 1.00 0.96 H new ATOM 0 HD2 LYS A 30 12.383 -1.452 -4.958 1.00 1.00 H new ATOM 0 HD3 LYS A 30 12.056 0.264 -5.101 1.00 1.00 H new ATOM 0 HE2 LYS A 30 13.740 0.195 -2.889 1.00 1.82 H new ATOM 0 HE3 LYS A 30 14.375 -1.118 -3.859 1.00 1.82 H new ATOM 0 HZ1 LYS A 30 15.408 0.978 -4.439 1.00 2.19 H new ATOM 0 HZ2 LYS A 30 14.514 0.386 -5.755 1.00 2.19 H new ATOM 0 HZ3 LYS A 30 13.898 1.659 -4.815 1.00 2.19 H new ATOM 456 N GLU A 31 8.855 -0.167 -1.676 1.00 0.49 N ATOM 457 CA GLU A 31 8.377 0.996 -0.948 1.00 0.55 C ATOM 458 C GLU A 31 7.287 0.589 0.045 1.00 0.43 C ATOM 459 O GLU A 31 7.109 1.236 1.076 1.00 0.46 O ATOM 460 CB GLU A 31 7.870 2.074 -1.908 1.00 0.66 C ATOM 461 CG GLU A 31 9.036 2.787 -2.597 1.00 0.95 C ATOM 462 CD GLU A 31 8.548 3.602 -3.797 1.00 0.97 C ATOM 463 OE1 GLU A 31 7.449 4.187 -3.677 1.00 1.43 O ATOM 464 OE2 GLU A 31 9.284 3.622 -4.806 1.00 2.18 O ATOM 0 H GLU A 31 8.602 -0.186 -2.664 1.00 0.49 H new ATOM 0 HA GLU A 31 9.212 1.418 -0.388 1.00 0.55 H new ATOM 0 HB2 GLU A 31 7.221 1.622 -2.658 1.00 0.66 H new ATOM 0 HB3 GLU A 31 7.268 2.799 -1.361 1.00 0.66 H new ATOM 0 HG2 GLU A 31 9.537 3.444 -1.886 1.00 0.95 H new ATOM 0 HG3 GLU A 31 9.772 2.054 -2.926 1.00 0.95 H new ATOM 471 N LEU A 32 6.585 -0.480 -0.301 1.00 0.34 N ATOM 472 CA LEU A 32 5.517 -0.980 0.548 1.00 0.31 C ATOM 473 C LEU A 32 6.119 -1.568 1.825 1.00 0.37 C ATOM 474 O LEU A 32 5.627 -1.312 2.923 1.00 0.49 O ATOM 475 CB LEU A 32 4.634 -1.962 -0.225 1.00 0.39 C ATOM 476 CG LEU A 32 3.729 -2.860 0.621 1.00 0.49 C ATOM 477 CD1 LEU A 32 2.511 -2.087 1.130 1.00 1.96 C ATOM 478 CD2 LEU A 32 3.328 -4.118 -0.151 1.00 2.45 C ATOM 0 H LEU A 32 6.735 -1.014 -1.157 1.00 0.34 H new ATOM 0 HA LEU A 32 4.859 -0.166 0.852 1.00 0.31 H new ATOM 0 HB2 LEU A 32 4.008 -1.393 -0.912 1.00 0.39 H new ATOM 0 HB3 LEU A 32 5.278 -2.598 -0.833 1.00 0.39 H new ATOM 0 HG LEU A 32 4.292 -3.185 1.496 1.00 0.49 H new ATOM 0 HD11 LEU A 32 1.884 -2.748 1.728 1.00 1.96 H new ATOM 0 HD12 LEU A 32 2.842 -1.248 1.743 1.00 1.96 H new ATOM 0 HD13 LEU A 32 1.937 -1.713 0.282 1.00 1.96 H new ATOM 0 HD21 LEU A 32 2.685 -4.739 0.473 1.00 2.45 H new ATOM 0 HD22 LEU A 32 2.791 -3.834 -1.056 1.00 2.45 H new ATOM 0 HD23 LEU A 32 4.222 -4.679 -0.422 1.00 2.45 H new ATOM 490 N GLY A 33 7.176 -2.346 1.640 1.00 0.38 N ATOM 491 CA GLY A 33 7.850 -2.973 2.763 1.00 0.52 C ATOM 492 C GLY A 33 8.512 -1.925 3.660 1.00 0.57 C ATOM 493 O GLY A 33 8.697 -2.152 4.855 1.00 0.74 O ATOM 0 H GLY A 33 7.582 -2.556 0.728 1.00 0.38 H new ATOM 0 HA2 GLY A 33 7.133 -3.553 3.344 1.00 0.52 H new ATOM 0 HA3 GLY A 33 8.603 -3.671 2.396 1.00 0.52 H new ATOM 497 N THR A 34 8.849 -0.798 3.049 1.00 0.50 N ATOM 498 CA THR A 34 9.486 0.286 3.777 1.00 0.63 C ATOM 499 C THR A 34 8.520 0.878 4.805 1.00 0.62 C ATOM 500 O THR A 34 8.805 0.879 6.002 1.00 0.90 O ATOM 501 CB THR A 34 9.990 1.309 2.757 1.00 0.67 C ATOM 502 OG1 THR A 34 10.950 0.588 1.988 1.00 0.77 O ATOM 503 CG2 THR A 34 10.800 2.433 3.406 1.00 0.82 C ATOM 0 H THR A 34 8.693 -0.613 2.058 1.00 0.50 H new ATOM 0 HA THR A 34 10.342 -0.072 4.350 1.00 0.63 H new ATOM 0 HB THR A 34 9.142 1.736 2.222 1.00 0.67 H new ATOM 0 HG1 THR A 34 10.494 0.096 1.274 1.00 0.77 H new ATOM 0 HG21 THR A 34 11.134 3.131 2.638 1.00 0.82 H new ATOM 0 HG22 THR A 34 10.177 2.959 4.129 1.00 0.82 H new ATOM 0 HG23 THR A 34 11.667 2.010 3.914 1.00 0.82 H new ATOM 511 N VAL A 35 7.397 1.367 4.300 1.00 0.39 N ATOM 512 CA VAL A 35 6.387 1.961 5.160 1.00 0.42 C ATOM 513 C VAL A 35 6.175 1.067 6.383 1.00 0.40 C ATOM 514 O VAL A 35 6.294 1.524 7.519 1.00 0.43 O ATOM 515 CB VAL A 35 5.101 2.203 4.366 1.00 0.51 C ATOM 516 CG1 VAL A 35 3.876 2.160 5.282 1.00 1.12 C ATOM 517 CG2 VAL A 35 5.170 3.527 3.603 1.00 1.14 C ATOM 0 H VAL A 35 7.164 1.364 3.307 1.00 0.39 H new ATOM 0 HA VAL A 35 6.718 2.934 5.522 1.00 0.42 H new ATOM 0 HB VAL A 35 5.001 1.400 3.635 1.00 0.51 H new ATOM 0 HG11 VAL A 35 2.975 2.335 4.694 1.00 1.12 H new ATOM 0 HG12 VAL A 35 3.813 1.182 5.760 1.00 1.12 H new ATOM 0 HG13 VAL A 35 3.966 2.932 6.046 1.00 1.12 H new ATOM 0 HG21 VAL A 35 4.244 3.675 3.047 1.00 1.14 H new ATOM 0 HG22 VAL A 35 5.305 4.347 4.308 1.00 1.14 H new ATOM 0 HG23 VAL A 35 6.010 3.504 2.909 1.00 1.14 H new ATOM 527 N MET A 36 5.864 -0.192 6.110 1.00 0.42 N ATOM 528 CA MET A 36 5.634 -1.154 7.174 1.00 0.45 C ATOM 529 C MET A 36 6.638 -0.962 8.313 1.00 0.48 C ATOM 530 O MET A 36 6.255 -0.913 9.481 1.00 0.55 O ATOM 531 CB MET A 36 5.761 -2.573 6.616 1.00 0.54 C ATOM 532 CG MET A 36 4.691 -2.842 5.556 1.00 0.55 C ATOM 533 SD MET A 36 3.165 -3.336 6.339 1.00 0.65 S ATOM 534 CE MET A 36 2.693 -4.688 5.274 1.00 2.46 C ATOM 0 H MET A 36 5.766 -0.568 5.167 1.00 0.42 H new ATOM 0 HA MET A 36 4.630 -0.998 7.569 1.00 0.45 H new ATOM 0 HB2 MET A 36 6.751 -2.710 6.181 1.00 0.54 H new ATOM 0 HB3 MET A 36 5.666 -3.296 7.426 1.00 0.54 H new ATOM 0 HG2 MET A 36 4.528 -1.946 4.957 1.00 0.55 H new ATOM 0 HG3 MET A 36 5.030 -3.624 4.876 1.00 0.55 H new ATOM 0 HE1 MET A 36 1.762 -5.126 5.633 1.00 2.46 H new ATOM 0 HE2 MET A 36 2.552 -4.319 4.258 1.00 2.46 H new ATOM 0 HE3 MET A 36 3.476 -5.446 5.279 1.00 2.46 H new ATOM 544 N ARG A 37 7.903 -0.858 7.933 1.00 0.53 N ATOM 545 CA ARG A 37 8.964 -0.672 8.908 1.00 0.65 C ATOM 546 C ARG A 37 8.616 0.473 9.860 1.00 0.81 C ATOM 547 O ARG A 37 8.764 0.343 11.074 1.00 0.99 O ATOM 548 CB ARG A 37 10.297 -0.368 8.220 1.00 0.88 C ATOM 549 CG ARG A 37 10.598 -1.397 7.129 1.00 1.28 C ATOM 550 CD ARG A 37 12.105 -1.626 6.992 1.00 2.08 C ATOM 551 NE ARG A 37 12.361 -2.845 6.193 1.00 3.35 N ATOM 552 CZ ARG A 37 12.441 -2.863 4.855 1.00 4.32 C ATOM 553 NH1 ARG A 37 12.285 -1.729 4.159 1.00 4.72 N ATOM 554 NH2 ARG A 37 12.677 -4.016 4.214 1.00 5.66 N ATOM 0 H ARG A 37 8.217 -0.899 6.963 1.00 0.53 H new ATOM 0 HA ARG A 37 9.062 -1.600 9.472 1.00 0.65 H new ATOM 0 HB2 ARG A 37 10.266 0.631 7.784 1.00 0.88 H new ATOM 0 HB3 ARG A 37 11.100 -0.369 8.958 1.00 0.88 H new ATOM 0 HG2 ARG A 37 10.103 -2.339 7.366 1.00 1.28 H new ATOM 0 HG3 ARG A 37 10.191 -1.054 6.178 1.00 1.28 H new ATOM 0 HD2 ARG A 37 12.570 -0.764 6.514 1.00 2.08 H new ATOM 0 HD3 ARG A 37 12.557 -1.726 7.979 1.00 2.08 H new ATOM 0 HE ARG A 37 12.484 -3.726 6.691 1.00 3.35 H new ATOM 0 HH11 ARG A 37 12.105 -0.852 4.647 1.00 4.72 H new ATOM 0 HH12 ARG A 37 12.346 -1.743 3.141 1.00 4.72 H new ATOM 0 HH21 ARG A 37 12.796 -4.879 4.744 1.00 5.66 H new ATOM 0 HH22 ARG A 37 12.738 -4.030 3.196 1.00 5.66 H new ATOM 568 N SER A 38 8.159 1.570 9.273 1.00 0.88 N ATOM 569 CA SER A 38 7.789 2.738 10.054 1.00 1.18 C ATOM 570 C SER A 38 6.901 2.322 11.229 1.00 1.24 C ATOM 571 O SER A 38 6.970 2.916 12.304 1.00 1.51 O ATOM 572 CB SER A 38 7.071 3.775 9.188 1.00 1.37 C ATOM 573 OG SER A 38 7.394 5.108 9.574 1.00 1.82 O ATOM 0 H SER A 38 8.037 1.674 8.266 1.00 0.88 H new ATOM 0 HA SER A 38 8.701 3.194 10.439 1.00 1.18 H new ATOM 0 HB2 SER A 38 7.342 3.625 8.143 1.00 1.37 H new ATOM 0 HB3 SER A 38 5.994 3.627 9.263 1.00 1.37 H new ATOM 0 HG SER A 38 6.917 5.740 8.997 1.00 1.82 H new ATOM 579 N LEU A 39 6.088 1.305 10.984 1.00 1.08 N ATOM 580 CA LEU A 39 5.188 0.802 12.008 1.00 1.26 C ATOM 581 C LEU A 39 6.003 0.102 13.098 1.00 1.22 C ATOM 582 O LEU A 39 5.750 0.294 14.286 1.00 1.71 O ATOM 583 CB LEU A 39 4.107 -0.083 11.384 1.00 1.31 C ATOM 584 CG LEU A 39 3.163 0.607 10.397 1.00 1.44 C ATOM 585 CD1 LEU A 39 2.871 -0.294 9.196 1.00 1.56 C ATOM 586 CD2 LEU A 39 1.880 1.065 11.095 1.00 2.31 C ATOM 0 H LEU A 39 6.034 0.815 10.091 1.00 1.08 H new ATOM 0 HA LEU A 39 4.656 1.625 12.486 1.00 1.26 H new ATOM 0 HB2 LEU A 39 4.595 -0.911 10.871 1.00 1.31 H new ATOM 0 HB3 LEU A 39 3.509 -0.514 12.187 1.00 1.31 H new ATOM 0 HG LEU A 39 3.660 1.500 10.016 1.00 1.44 H new ATOM 0 HD11 LEU A 39 2.198 0.221 8.510 1.00 1.56 H new ATOM 0 HD12 LEU A 39 3.803 -0.528 8.682 1.00 1.56 H new ATOM 0 HD13 LEU A 39 2.404 -1.217 9.539 1.00 1.56 H new ATOM 0 HD21 LEU A 39 1.226 1.552 10.372 1.00 2.31 H new ATOM 0 HD22 LEU A 39 1.370 0.201 11.521 1.00 2.31 H new ATOM 0 HD23 LEU A 39 2.129 1.768 11.890 1.00 2.31 H new ATOM 598 N GLY A 40 6.963 -0.696 12.654 1.00 1.13 N ATOM 599 CA GLY A 40 7.816 -1.425 13.576 1.00 1.05 C ATOM 600 C GLY A 40 7.664 -2.936 13.386 1.00 1.30 C ATOM 601 O GLY A 40 7.491 -3.673 14.355 1.00 2.20 O ATOM 0 H GLY A 40 7.169 -0.853 11.667 1.00 1.13 H new ATOM 0 HA2 GLY A 40 8.856 -1.138 13.419 1.00 1.05 H new ATOM 0 HA3 GLY A 40 7.562 -1.156 14.601 1.00 1.05 H new ATOM 605 N GLN A 41 7.735 -3.351 12.129 1.00 1.05 N ATOM 606 CA GLN A 41 7.607 -4.761 11.799 1.00 1.15 C ATOM 607 C GLN A 41 8.844 -5.241 11.038 1.00 1.52 C ATOM 608 O GLN A 41 9.314 -6.358 11.251 1.00 3.47 O ATOM 609 CB GLN A 41 6.333 -5.022 10.994 1.00 1.01 C ATOM 610 CG GLN A 41 5.255 -5.668 11.868 1.00 2.04 C ATOM 611 CD GLN A 41 5.383 -7.192 11.859 1.00 2.92 C ATOM 612 OE1 GLN A 41 5.234 -7.847 10.841 1.00 3.54 O ATOM 613 NE2 GLN A 41 5.666 -7.719 13.047 1.00 3.90 N ATOM 0 H GLN A 41 7.879 -2.736 11.328 1.00 1.05 H new ATOM 0 HA GLN A 41 7.533 -5.327 12.728 1.00 1.15 H new ATOM 0 HB2 GLN A 41 5.959 -4.084 10.583 1.00 1.01 H new ATOM 0 HB3 GLN A 41 6.559 -5.672 10.149 1.00 1.01 H new ATOM 0 HG2 GLN A 41 5.340 -5.298 12.890 1.00 2.04 H new ATOM 0 HG3 GLN A 41 4.268 -5.380 11.506 1.00 2.04 H new ATOM 0 HE21 GLN A 41 5.778 -7.113 13.860 1.00 3.90 H new ATOM 0 HE22 GLN A 41 5.771 -8.729 13.145 1.00 3.90 H new ATOM 622 N ASN A 42 9.337 -4.374 10.166 1.00 0.77 N ATOM 623 CA ASN A 42 10.511 -4.696 9.372 1.00 0.68 C ATOM 624 C ASN A 42 10.270 -6.008 8.622 1.00 0.60 C ATOM 625 O ASN A 42 11.012 -6.973 8.798 1.00 0.65 O ATOM 626 CB ASN A 42 11.744 -4.879 10.260 1.00 0.81 C ATOM 627 CG ASN A 42 12.913 -4.031 9.755 1.00 1.15 C ATOM 628 OD1 ASN A 42 13.859 -4.523 9.161 1.00 1.70 O ATOM 629 ND2 ASN A 42 12.797 -2.734 10.024 1.00 1.29 N ATOM 0 H ASN A 42 8.945 -3.449 9.992 1.00 0.77 H new ATOM 0 HA ASN A 42 10.685 -3.873 8.679 1.00 0.68 H new ATOM 0 HB2 ASN A 42 11.503 -4.599 11.285 1.00 0.81 H new ATOM 0 HB3 ASN A 42 12.032 -5.930 10.276 1.00 0.81 H new ATOM 0 HD21 ASN A 42 13.526 -2.085 9.729 1.00 1.29 H new ATOM 0 HD22 ASN A 42 11.979 -2.388 10.525 1.00 1.29 H new ATOM 636 N PRO A 43 9.202 -6.001 7.780 1.00 0.54 N ATOM 637 CA PRO A 43 8.854 -7.178 7.003 1.00 0.53 C ATOM 638 C PRO A 43 9.820 -7.367 5.832 1.00 0.48 C ATOM 639 O PRO A 43 10.729 -6.562 5.636 1.00 0.48 O ATOM 640 CB PRO A 43 7.419 -6.946 6.558 1.00 0.54 C ATOM 641 CG PRO A 43 7.173 -5.453 6.706 1.00 0.55 C ATOM 642 CD PRO A 43 8.301 -4.876 7.547 1.00 0.56 C ATOM 0 HA PRO A 43 8.934 -8.100 7.578 1.00 0.53 H new ATOM 0 HB2 PRO A 43 7.274 -7.265 5.526 1.00 0.54 H new ATOM 0 HB3 PRO A 43 6.723 -7.519 7.170 1.00 0.54 H new ATOM 0 HG2 PRO A 43 7.142 -4.972 5.728 1.00 0.55 H new ATOM 0 HG3 PRO A 43 6.210 -5.270 7.182 1.00 0.55 H new ATOM 0 HD2 PRO A 43 8.808 -4.064 7.026 1.00 0.56 H new ATOM 0 HD3 PRO A 43 7.926 -4.468 8.486 1.00 0.56 H new ATOM 650 N THR A 44 9.590 -8.436 5.084 1.00 0.49 N ATOM 651 CA THR A 44 10.428 -8.741 3.937 1.00 0.49 C ATOM 652 C THR A 44 9.686 -8.431 2.636 1.00 0.42 C ATOM 653 O THR A 44 8.470 -8.601 2.555 1.00 0.43 O ATOM 654 CB THR A 44 10.872 -10.201 4.050 1.00 0.60 C ATOM 655 OG1 THR A 44 9.741 -10.865 4.607 1.00 0.64 O ATOM 656 CG2 THR A 44 11.972 -10.399 5.096 1.00 0.71 C ATOM 0 H THR A 44 8.835 -9.102 5.250 1.00 0.49 H new ATOM 0 HA THR A 44 11.320 -8.115 3.922 1.00 0.49 H new ATOM 0 HB THR A 44 11.226 -10.549 3.080 1.00 0.60 H new ATOM 0 HG1 THR A 44 9.941 -11.819 4.713 1.00 0.64 H new ATOM 0 HG21 THR A 44 12.251 -11.452 5.136 1.00 0.71 H new ATOM 0 HG22 THR A 44 12.844 -9.803 4.825 1.00 0.71 H new ATOM 0 HG23 THR A 44 11.606 -10.083 6.073 1.00 0.71 H new ATOM 664 N GLU A 45 10.448 -7.982 1.649 1.00 0.41 N ATOM 665 CA GLU A 45 9.877 -7.647 0.356 1.00 0.37 C ATOM 666 C GLU A 45 9.333 -8.904 -0.326 1.00 0.35 C ATOM 667 O GLU A 45 8.510 -8.814 -1.235 1.00 0.32 O ATOM 668 CB GLU A 45 10.906 -6.943 -0.532 1.00 0.41 C ATOM 669 CG GLU A 45 12.080 -7.870 -0.851 1.00 0.48 C ATOM 670 CD GLU A 45 13.414 -7.132 -0.717 1.00 1.50 C ATOM 671 OE1 GLU A 45 13.534 -6.347 0.248 1.00 2.83 O ATOM 672 OE2 GLU A 45 14.283 -7.370 -1.583 1.00 2.30 O ATOM 0 H GLU A 45 11.456 -7.843 1.719 1.00 0.41 H new ATOM 0 HA GLU A 45 9.049 -6.956 0.514 1.00 0.37 H new ATOM 0 HB2 GLU A 45 10.431 -6.619 -1.458 1.00 0.41 H new ATOM 0 HB3 GLU A 45 11.271 -6.047 -0.031 1.00 0.41 H new ATOM 0 HG2 GLU A 45 12.065 -8.727 -0.177 1.00 0.48 H new ATOM 0 HG3 GLU A 45 11.976 -8.259 -1.864 1.00 0.48 H new ATOM 679 N ALA A 46 9.816 -10.047 0.139 1.00 0.40 N ATOM 680 CA ALA A 46 9.389 -11.320 -0.415 1.00 0.41 C ATOM 681 C ALA A 46 7.926 -11.569 -0.041 1.00 0.37 C ATOM 682 O ALA A 46 7.081 -11.756 -0.915 1.00 0.37 O ATOM 683 CB ALA A 46 10.315 -12.431 0.084 1.00 0.49 C ATOM 0 H ALA A 46 10.499 -10.118 0.893 1.00 0.40 H new ATOM 0 HA ALA A 46 9.454 -11.306 -1.503 1.00 0.41 H new ATOM 0 HB1 ALA A 46 9.994 -13.386 -0.332 1.00 0.49 H new ATOM 0 HB2 ALA A 46 11.337 -12.222 -0.232 1.00 0.49 H new ATOM 0 HB3 ALA A 46 10.274 -12.477 1.172 1.00 0.49 H new ATOM 689 N GLU A 47 7.672 -11.563 1.259 1.00 0.39 N ATOM 690 CA GLU A 47 6.326 -11.785 1.760 1.00 0.40 C ATOM 691 C GLU A 47 5.359 -10.765 1.155 1.00 0.35 C ATOM 692 O GLU A 47 4.230 -11.105 0.805 1.00 0.36 O ATOM 693 CB GLU A 47 6.293 -11.732 3.288 1.00 0.47 C ATOM 694 CG GLU A 47 6.961 -12.968 3.894 1.00 0.46 C ATOM 695 CD GLU A 47 6.084 -14.209 3.713 1.00 0.93 C ATOM 696 OE1 GLU A 47 6.182 -14.820 2.627 1.00 2.05 O ATOM 697 OE2 GLU A 47 5.337 -14.519 4.666 1.00 1.51 O ATOM 0 H GLU A 47 8.376 -11.408 1.981 1.00 0.39 H new ATOM 0 HA GLU A 47 6.008 -12.783 1.457 1.00 0.40 H new ATOM 0 HB2 GLU A 47 6.801 -10.832 3.635 1.00 0.47 H new ATOM 0 HB3 GLU A 47 5.260 -11.667 3.631 1.00 0.47 H new ATOM 0 HG2 GLU A 47 7.930 -13.131 3.422 1.00 0.46 H new ATOM 0 HG3 GLU A 47 7.148 -12.802 4.955 1.00 0.46 H new ATOM 704 N LEU A 48 5.838 -9.534 1.051 1.00 0.31 N ATOM 705 CA LEU A 48 5.030 -8.461 0.495 1.00 0.30 C ATOM 706 C LEU A 48 4.857 -8.686 -1.009 1.00 0.27 C ATOM 707 O LEU A 48 3.864 -8.258 -1.594 1.00 0.29 O ATOM 708 CB LEU A 48 5.631 -7.099 0.848 1.00 0.32 C ATOM 709 CG LEU A 48 5.273 -6.546 2.228 1.00 0.41 C ATOM 710 CD1 LEU A 48 3.797 -6.149 2.294 1.00 0.69 C ATOM 711 CD2 LEU A 48 5.650 -7.537 3.331 1.00 0.60 C ATOM 0 H LEU A 48 6.775 -9.256 1.342 1.00 0.31 H new ATOM 0 HA LEU A 48 4.033 -8.467 0.936 1.00 0.30 H new ATOM 0 HB2 LEU A 48 6.716 -7.174 0.779 1.00 0.32 H new ATOM 0 HB3 LEU A 48 5.313 -6.378 0.096 1.00 0.32 H new ATOM 0 HG LEU A 48 5.857 -5.641 2.395 1.00 0.41 H new ATOM 0 HD11 LEU A 48 3.569 -5.759 3.286 1.00 0.69 H new ATOM 0 HD12 LEU A 48 3.593 -5.382 1.547 1.00 0.69 H new ATOM 0 HD13 LEU A 48 3.176 -7.023 2.096 1.00 0.69 H new ATOM 0 HD21 LEU A 48 5.385 -7.119 4.302 1.00 0.60 H new ATOM 0 HD22 LEU A 48 5.111 -8.472 3.179 1.00 0.60 H new ATOM 0 HD23 LEU A 48 6.723 -7.727 3.299 1.00 0.60 H new ATOM 723 N GLN A 49 5.840 -9.358 -1.591 1.00 0.26 N ATOM 724 CA GLN A 49 5.809 -9.645 -3.015 1.00 0.27 C ATOM 725 C GLN A 49 4.498 -10.342 -3.388 1.00 0.25 C ATOM 726 O GLN A 49 3.941 -10.092 -4.455 1.00 0.26 O ATOM 727 CB GLN A 49 7.016 -10.488 -3.431 1.00 0.33 C ATOM 728 CG GLN A 49 7.193 -10.480 -4.951 1.00 0.39 C ATOM 729 CD GLN A 49 8.496 -11.173 -5.355 1.00 0.54 C ATOM 730 OE1 GLN A 49 9.232 -11.695 -4.533 1.00 1.16 O ATOM 731 NE2 GLN A 49 8.738 -11.150 -6.662 1.00 1.36 N ATOM 0 H GLN A 49 6.662 -9.712 -1.102 1.00 0.26 H new ATOM 0 HA GLN A 49 5.863 -8.701 -3.557 1.00 0.27 H new ATOM 0 HB2 GLN A 49 7.916 -10.100 -2.954 1.00 0.33 H new ATOM 0 HB3 GLN A 49 6.886 -11.512 -3.082 1.00 0.33 H new ATOM 0 HG2 GLN A 49 6.348 -10.983 -5.422 1.00 0.39 H new ATOM 0 HG3 GLN A 49 7.195 -9.453 -5.315 1.00 0.39 H new ATOM 0 HE21 GLN A 49 8.079 -10.696 -7.295 1.00 1.36 H new ATOM 0 HE22 GLN A 49 9.582 -11.587 -7.032 1.00 1.36 H new ATOM 740 N ASP A 50 4.045 -11.201 -2.487 1.00 0.26 N ATOM 741 CA ASP A 50 2.811 -11.936 -2.708 1.00 0.28 C ATOM 742 C ASP A 50 1.624 -10.979 -2.580 1.00 0.28 C ATOM 743 O ASP A 50 0.625 -11.128 -3.282 1.00 0.31 O ATOM 744 CB ASP A 50 2.638 -13.046 -1.670 1.00 0.34 C ATOM 745 CG ASP A 50 1.563 -14.082 -2.004 1.00 0.53 C ATOM 746 OD1 ASP A 50 0.647 -13.721 -2.775 1.00 1.68 O ATOM 747 OD2 ASP A 50 1.681 -15.211 -1.481 1.00 1.69 O ATOM 0 H ASP A 50 4.510 -11.405 -1.602 1.00 0.26 H new ATOM 0 HA ASP A 50 2.854 -12.378 -3.704 1.00 0.28 H new ATOM 0 HB2 ASP A 50 3.591 -13.560 -1.548 1.00 0.34 H new ATOM 0 HB3 ASP A 50 2.396 -12.590 -0.710 1.00 0.34 H new ATOM 752 N MET A 51 1.773 -10.019 -1.679 1.00 0.29 N ATOM 753 CA MET A 51 0.725 -9.039 -1.451 1.00 0.33 C ATOM 754 C MET A 51 0.609 -8.075 -2.633 1.00 0.32 C ATOM 755 O MET A 51 -0.454 -7.958 -3.241 1.00 0.38 O ATOM 756 CB MET A 51 1.033 -8.249 -0.177 1.00 0.37 C ATOM 757 CG MET A 51 0.229 -8.786 1.009 1.00 0.81 C ATOM 758 SD MET A 51 -0.488 -7.432 1.924 1.00 1.65 S ATOM 759 CE MET A 51 0.182 -7.763 3.545 1.00 2.56 C ATOM 0 H MET A 51 2.603 -9.899 -1.099 1.00 0.29 H new ATOM 0 HA MET A 51 -0.222 -9.567 -1.342 1.00 0.33 H new ATOM 0 HB2 MET A 51 2.099 -8.310 0.044 1.00 0.37 H new ATOM 0 HB3 MET A 51 0.799 -7.196 -0.332 1.00 0.37 H new ATOM 0 HG2 MET A 51 -0.557 -9.452 0.654 1.00 0.81 H new ATOM 0 HG3 MET A 51 0.875 -9.374 1.661 1.00 0.81 H new ATOM 0 HE1 MET A 51 -0.169 -7.005 4.245 1.00 2.56 H new ATOM 0 HE2 MET A 51 -0.146 -8.747 3.880 1.00 2.56 H new ATOM 0 HE3 MET A 51 1.271 -7.739 3.500 1.00 2.56 H new ATOM 769 N ILE A 52 1.716 -7.409 -2.924 1.00 0.28 N ATOM 770 CA ILE A 52 1.752 -6.459 -4.023 1.00 0.31 C ATOM 771 C ILE A 52 1.125 -7.097 -5.264 1.00 0.31 C ATOM 772 O ILE A 52 0.281 -6.489 -5.920 1.00 0.28 O ATOM 773 CB ILE A 52 3.178 -5.951 -4.246 1.00 0.31 C ATOM 774 CG1 ILE A 52 4.138 -7.112 -4.512 1.00 0.28 C ATOM 775 CG2 ILE A 52 3.640 -5.082 -3.075 1.00 0.36 C ATOM 776 CD1 ILE A 52 4.187 -7.452 -6.003 1.00 0.33 C ATOM 0 H ILE A 52 2.596 -7.508 -2.418 1.00 0.28 H new ATOM 0 HA ILE A 52 1.158 -5.577 -3.783 1.00 0.31 H new ATOM 0 HB ILE A 52 3.181 -5.321 -5.135 1.00 0.31 H new ATOM 0 HG12 ILE A 52 5.137 -6.850 -4.162 1.00 0.28 H new ATOM 0 HG13 ILE A 52 3.821 -7.988 -3.946 1.00 0.28 H new ATOM 0 HG21 ILE A 52 4.656 -4.734 -3.259 1.00 0.36 H new ATOM 0 HG22 ILE A 52 2.975 -4.224 -2.974 1.00 0.36 H new ATOM 0 HG23 ILE A 52 3.618 -5.668 -2.156 1.00 0.36 H new ATOM 0 HD11 ILE A 52 4.877 -8.280 -6.165 1.00 0.33 H new ATOM 0 HD12 ILE A 52 3.192 -7.737 -6.344 1.00 0.33 H new ATOM 0 HD13 ILE A 52 4.528 -6.582 -6.564 1.00 0.33 H new ATOM 788 N ASN A 53 1.562 -8.315 -5.548 1.00 0.37 N ATOM 789 CA ASN A 53 1.054 -9.043 -6.699 1.00 0.40 C ATOM 790 C ASN A 53 -0.444 -9.294 -6.517 1.00 0.40 C ATOM 791 O ASN A 53 -1.197 -9.304 -7.489 1.00 0.40 O ATOM 792 CB ASN A 53 1.747 -10.400 -6.842 1.00 0.47 C ATOM 793 CG ASN A 53 2.345 -10.565 -8.241 1.00 1.10 C ATOM 794 OD1 ASN A 53 1.685 -10.389 -9.251 1.00 1.38 O ATOM 795 ND2 ASN A 53 3.629 -10.912 -8.243 1.00 2.02 N ATOM 0 H ASN A 53 2.262 -8.816 -5.001 1.00 0.37 H new ATOM 0 HA ASN A 53 1.247 -8.444 -7.589 1.00 0.40 H new ATOM 0 HB2 ASN A 53 2.534 -10.491 -6.093 1.00 0.47 H new ATOM 0 HB3 ASN A 53 1.031 -11.200 -6.652 1.00 0.47 H new ATOM 0 HD21 ASN A 53 4.120 -11.047 -9.127 1.00 2.02 H new ATOM 0 HD22 ASN A 53 4.123 -11.043 -7.360 1.00 2.02 H new ATOM 802 N GLU A 54 -0.831 -9.492 -5.266 1.00 0.41 N ATOM 803 CA GLU A 54 -2.226 -9.743 -4.944 1.00 0.45 C ATOM 804 C GLU A 54 -3.055 -8.475 -5.157 1.00 0.41 C ATOM 805 O GLU A 54 -3.983 -8.464 -5.964 1.00 0.44 O ATOM 806 CB GLU A 54 -2.374 -10.262 -3.513 1.00 0.51 C ATOM 807 CG GLU A 54 -3.849 -10.407 -3.132 1.00 0.50 C ATOM 808 CD GLU A 54 -4.333 -11.841 -3.353 1.00 0.79 C ATOM 809 OE1 GLU A 54 -4.098 -12.666 -2.443 1.00 1.52 O ATOM 810 OE2 GLU A 54 -4.928 -12.081 -4.426 1.00 1.86 O ATOM 0 H GLU A 54 -0.203 -9.484 -4.462 1.00 0.41 H new ATOM 0 HA GLU A 54 -2.601 -10.516 -5.615 1.00 0.45 H new ATOM 0 HB2 GLU A 54 -1.874 -11.226 -3.418 1.00 0.51 H new ATOM 0 HB3 GLU A 54 -1.882 -9.578 -2.822 1.00 0.51 H new ATOM 0 HG2 GLU A 54 -3.987 -10.129 -2.087 1.00 0.50 H new ATOM 0 HG3 GLU A 54 -4.451 -9.720 -3.727 1.00 0.50 H new ATOM 817 N VAL A 55 -2.691 -7.437 -4.418 1.00 0.36 N ATOM 818 CA VAL A 55 -3.391 -6.167 -4.515 1.00 0.35 C ATOM 819 C VAL A 55 -3.354 -5.680 -5.965 1.00 0.32 C ATOM 820 O VAL A 55 -4.364 -5.218 -6.494 1.00 0.42 O ATOM 821 CB VAL A 55 -2.789 -5.162 -3.531 1.00 0.33 C ATOM 822 CG1 VAL A 55 -2.785 -5.723 -2.108 1.00 0.36 C ATOM 823 CG2 VAL A 55 -1.381 -4.748 -3.962 1.00 0.34 C ATOM 0 H VAL A 55 -1.921 -7.449 -3.750 1.00 0.36 H new ATOM 0 HA VAL A 55 -4.439 -6.285 -4.238 1.00 0.35 H new ATOM 0 HB VAL A 55 -3.416 -4.270 -3.537 1.00 0.33 H new ATOM 0 HG11 VAL A 55 -2.352 -4.989 -1.429 1.00 0.36 H new ATOM 0 HG12 VAL A 55 -3.807 -5.943 -1.801 1.00 0.36 H new ATOM 0 HG13 VAL A 55 -2.193 -6.638 -2.079 1.00 0.36 H new ATOM 0 HG21 VAL A 55 -0.976 -4.033 -3.245 1.00 0.34 H new ATOM 0 HG22 VAL A 55 -0.738 -5.628 -3.999 1.00 0.34 H new ATOM 0 HG23 VAL A 55 -1.423 -4.288 -4.949 1.00 0.34 H new ATOM 833 N ASP A 56 -2.180 -5.800 -6.567 1.00 0.27 N ATOM 834 CA ASP A 56 -1.999 -5.377 -7.945 1.00 0.27 C ATOM 835 C ASP A 56 -3.090 -6.005 -8.814 1.00 0.31 C ATOM 836 O ASP A 56 -3.085 -7.212 -9.047 1.00 0.36 O ATOM 837 CB ASP A 56 -0.643 -5.832 -8.487 1.00 0.35 C ATOM 838 CG ASP A 56 -0.442 -5.618 -9.988 1.00 0.44 C ATOM 839 OD1 ASP A 56 -0.374 -4.436 -10.389 1.00 0.56 O ATOM 840 OD2 ASP A 56 -0.360 -6.642 -10.701 1.00 0.76 O ATOM 0 H ASP A 56 -1.345 -6.184 -6.126 1.00 0.27 H new ATOM 0 HA ASP A 56 -2.052 -4.289 -7.973 1.00 0.27 H new ATOM 0 HB2 ASP A 56 0.143 -5.300 -7.951 1.00 0.35 H new ATOM 0 HB3 ASP A 56 -0.518 -6.892 -8.266 1.00 0.35 H new ATOM 845 N ALA A 57 -4.000 -5.156 -9.270 1.00 0.37 N ATOM 846 CA ALA A 57 -5.096 -5.613 -10.109 1.00 0.46 C ATOM 847 C ALA A 57 -4.757 -5.341 -11.576 1.00 0.49 C ATOM 848 O ALA A 57 -4.739 -6.260 -12.393 1.00 0.55 O ATOM 849 CB ALA A 57 -6.392 -4.928 -9.672 1.00 0.56 C ATOM 0 H ALA A 57 -4.001 -4.155 -9.075 1.00 0.37 H new ATOM 0 HA ALA A 57 -5.242 -6.688 -9.999 1.00 0.46 H new ATOM 0 HB1 ALA A 57 -7.214 -5.270 -10.301 1.00 0.56 H new ATOM 0 HB2 ALA A 57 -6.602 -5.177 -8.632 1.00 0.56 H new ATOM 0 HB3 ALA A 57 -6.284 -3.848 -9.772 1.00 0.56 H new ATOM 855 N ASP A 58 -4.498 -4.074 -11.864 1.00 0.50 N ATOM 856 CA ASP A 58 -4.161 -3.669 -13.219 1.00 0.56 C ATOM 857 C ASP A 58 -3.257 -4.727 -13.853 1.00 0.55 C ATOM 858 O ASP A 58 -3.349 -4.990 -15.051 1.00 0.62 O ATOM 859 CB ASP A 58 -3.407 -2.338 -13.224 1.00 0.60 C ATOM 860 CG ASP A 58 -2.489 -2.110 -12.021 1.00 0.80 C ATOM 861 OD1 ASP A 58 -2.118 -3.123 -11.390 1.00 1.45 O ATOM 862 OD2 ASP A 58 -2.180 -0.927 -11.759 1.00 2.11 O ATOM 0 H ASP A 58 -4.515 -3.315 -11.183 1.00 0.50 H new ATOM 0 HA ASP A 58 -5.090 -3.560 -13.779 1.00 0.56 H new ATOM 0 HB2 ASP A 58 -2.810 -2.279 -14.134 1.00 0.60 H new ATOM 0 HB3 ASP A 58 -4.133 -1.526 -13.267 1.00 0.60 H new ATOM 867 N GLY A 59 -2.403 -5.306 -13.021 1.00 0.52 N ATOM 868 CA GLY A 59 -1.483 -6.330 -13.485 1.00 0.55 C ATOM 869 C GLY A 59 -0.122 -5.726 -13.837 1.00 0.57 C ATOM 870 O GLY A 59 0.069 -5.218 -14.940 1.00 0.79 O ATOM 0 H GLY A 59 -2.329 -5.085 -12.028 1.00 0.52 H new ATOM 0 HA2 GLY A 59 -1.359 -7.089 -12.713 1.00 0.55 H new ATOM 0 HA3 GLY A 59 -1.900 -6.830 -14.359 1.00 0.55 H new ATOM 874 N ASP A 60 0.788 -5.801 -12.877 1.00 0.51 N ATOM 875 CA ASP A 60 2.126 -5.268 -13.071 1.00 0.57 C ATOM 876 C ASP A 60 3.029 -5.740 -11.930 1.00 0.57 C ATOM 877 O ASP A 60 4.081 -6.331 -12.170 1.00 0.73 O ATOM 878 CB ASP A 60 2.115 -3.738 -13.063 1.00 0.58 C ATOM 879 CG ASP A 60 0.744 -3.100 -13.296 1.00 1.30 C ATOM 880 OD1 ASP A 60 0.403 -2.904 -14.482 1.00 2.91 O ATOM 881 OD2 ASP A 60 0.069 -2.822 -12.282 1.00 1.09 O ATOM 0 H ASP A 60 0.625 -6.223 -11.963 1.00 0.51 H new ATOM 0 HA ASP A 60 2.494 -5.622 -14.034 1.00 0.57 H new ATOM 0 HB2 ASP A 60 2.502 -3.392 -12.105 1.00 0.58 H new ATOM 0 HB3 ASP A 60 2.801 -3.381 -13.831 1.00 0.58 H new ATOM 886 N GLY A 61 2.585 -5.462 -10.713 1.00 0.46 N ATOM 887 CA GLY A 61 3.340 -5.851 -9.534 1.00 0.50 C ATOM 888 C GLY A 61 3.679 -4.633 -8.673 1.00 0.59 C ATOM 889 O GLY A 61 4.749 -4.573 -8.069 1.00 1.22 O ATOM 0 H GLY A 61 1.712 -4.972 -10.518 1.00 0.46 H new ATOM 0 HA2 GLY A 61 2.763 -6.566 -8.948 1.00 0.50 H new ATOM 0 HA3 GLY A 61 4.258 -6.354 -9.836 1.00 0.50 H new ATOM 893 N THR A 62 2.747 -3.691 -8.644 1.00 0.38 N ATOM 894 CA THR A 62 2.934 -2.478 -7.867 1.00 0.36 C ATOM 895 C THR A 62 1.625 -2.074 -7.185 1.00 0.29 C ATOM 896 O THR A 62 0.562 -2.597 -7.515 1.00 0.28 O ATOM 897 CB THR A 62 3.490 -1.400 -8.800 1.00 0.46 C ATOM 898 OG1 THR A 62 4.594 -2.032 -9.442 1.00 0.56 O ATOM 899 CG2 THR A 62 4.120 -0.233 -8.037 1.00 0.47 C ATOM 0 H THR A 62 1.861 -3.744 -9.146 1.00 0.38 H new ATOM 0 HA THR A 62 3.651 -2.632 -7.060 1.00 0.36 H new ATOM 0 HB THR A 62 2.690 -1.026 -9.439 1.00 0.46 H new ATOM 0 HG1 THR A 62 5.013 -1.404 -10.067 1.00 0.56 H new ATOM 0 HG21 THR A 62 4.499 0.503 -8.746 1.00 0.47 H new ATOM 0 HG22 THR A 62 3.369 0.231 -7.398 1.00 0.47 H new ATOM 0 HG23 THR A 62 4.942 -0.601 -7.423 1.00 0.47 H new ATOM 907 N ILE A 63 1.746 -1.148 -6.245 1.00 0.34 N ATOM 908 CA ILE A 63 0.586 -0.669 -5.513 1.00 0.31 C ATOM 909 C ILE A 63 0.193 0.714 -6.037 1.00 0.35 C ATOM 910 O ILE A 63 0.959 1.347 -6.763 1.00 0.57 O ATOM 911 CB ILE A 63 0.851 -0.703 -4.007 1.00 0.33 C ATOM 912 CG1 ILE A 63 1.120 -2.132 -3.530 1.00 0.50 C ATOM 913 CG2 ILE A 63 -0.294 -0.047 -3.233 1.00 0.59 C ATOM 914 CD1 ILE A 63 0.881 -2.261 -2.024 1.00 0.70 C ATOM 0 H ILE A 63 2.630 -0.717 -5.974 1.00 0.34 H new ATOM 0 HA ILE A 63 -0.267 -1.327 -5.678 1.00 0.31 H new ATOM 0 HB ILE A 63 1.750 -0.121 -3.806 1.00 0.33 H new ATOM 0 HG12 ILE A 63 0.472 -2.826 -4.065 1.00 0.50 H new ATOM 0 HG13 ILE A 63 2.148 -2.410 -3.764 1.00 0.50 H new ATOM 0 HG21 ILE A 63 -0.080 -0.085 -2.165 1.00 0.59 H new ATOM 0 HG22 ILE A 63 -0.396 0.992 -3.546 1.00 0.59 H new ATOM 0 HG23 ILE A 63 -1.223 -0.580 -3.436 1.00 0.59 H new ATOM 0 HD11 ILE A 63 1.079 -3.286 -1.711 1.00 0.70 H new ATOM 0 HD12 ILE A 63 1.547 -1.583 -1.490 1.00 0.70 H new ATOM 0 HD13 ILE A 63 -0.154 -2.006 -1.797 1.00 0.70 H new ATOM 926 N ASP A 64 -0.999 1.142 -5.649 1.00 0.37 N ATOM 927 CA ASP A 64 -1.503 2.438 -6.071 1.00 0.42 C ATOM 928 C ASP A 64 -2.554 2.922 -5.070 1.00 0.42 C ATOM 929 O ASP A 64 -2.788 2.276 -4.049 1.00 0.48 O ATOM 930 CB ASP A 64 -2.165 2.350 -7.447 1.00 0.45 C ATOM 931 CG ASP A 64 -1.269 1.811 -8.563 1.00 1.67 C ATOM 932 OD1 ASP A 64 -0.818 0.654 -8.420 1.00 3.25 O ATOM 933 OD2 ASP A 64 -1.055 2.568 -9.535 1.00 2.25 O ATOM 0 H ASP A 64 -1.631 0.614 -5.047 1.00 0.37 H new ATOM 0 HA ASP A 64 -0.661 3.128 -6.120 1.00 0.42 H new ATOM 0 HB2 ASP A 64 -3.046 1.713 -7.369 1.00 0.45 H new ATOM 0 HB3 ASP A 64 -2.514 3.343 -7.730 1.00 0.45 H new ATOM 938 N PHE A 65 -3.159 4.054 -5.397 1.00 0.50 N ATOM 939 CA PHE A 65 -4.180 4.632 -4.540 1.00 0.57 C ATOM 940 C PHE A 65 -5.415 3.732 -4.474 1.00 0.56 C ATOM 941 O PHE A 65 -5.918 3.439 -3.391 1.00 0.61 O ATOM 942 CB PHE A 65 -4.574 5.975 -5.157 1.00 0.65 C ATOM 943 CG PHE A 65 -4.745 7.102 -4.136 1.00 0.98 C ATOM 944 CD1 PHE A 65 -3.890 7.202 -3.083 1.00 0.38 C ATOM 945 CD2 PHE A 65 -5.751 8.005 -4.282 1.00 2.33 C ATOM 946 CE1 PHE A 65 -4.048 8.248 -2.136 1.00 0.44 C ATOM 947 CE2 PHE A 65 -5.910 9.051 -3.335 1.00 2.66 C ATOM 948 CZ PHE A 65 -5.055 9.150 -2.282 1.00 1.61 C ATOM 0 H PHE A 65 -2.962 4.587 -6.244 1.00 0.50 H new ATOM 0 HA PHE A 65 -3.794 4.747 -3.527 1.00 0.57 H new ATOM 0 HB2 PHE A 65 -3.814 6.267 -5.882 1.00 0.65 H new ATOM 0 HB3 PHE A 65 -5.507 5.851 -5.706 1.00 0.65 H new ATOM 0 HD1 PHE A 65 -3.090 6.485 -2.967 1.00 0.38 H new ATOM 0 HD2 PHE A 65 -6.429 7.927 -5.119 1.00 2.33 H new ATOM 0 HE1 PHE A 65 -3.369 8.327 -1.300 1.00 0.44 H new ATOM 0 HE2 PHE A 65 -6.710 9.768 -3.451 1.00 2.66 H new ATOM 0 HZ PHE A 65 -5.176 9.945 -1.561 1.00 1.61 H new ATOM 958 N PRO A 66 -5.881 3.307 -5.679 1.00 0.54 N ATOM 959 CA PRO A 66 -7.049 2.446 -5.769 1.00 0.60 C ATOM 960 C PRO A 66 -6.706 1.013 -5.358 1.00 0.56 C ATOM 961 O PRO A 66 -7.545 0.305 -4.803 1.00 0.70 O ATOM 962 CB PRO A 66 -7.508 2.556 -7.214 1.00 0.66 C ATOM 963 CG PRO A 66 -6.319 3.101 -7.989 1.00 0.57 C ATOM 964 CD PRO A 66 -5.312 3.634 -6.983 1.00 0.51 C ATOM 0 HA PRO A 66 -7.846 2.745 -5.088 1.00 0.60 H new ATOM 0 HB2 PRO A 66 -7.814 1.584 -7.601 1.00 0.66 H new ATOM 0 HB3 PRO A 66 -8.368 3.220 -7.301 1.00 0.66 H new ATOM 0 HG2 PRO A 66 -5.870 2.318 -8.600 1.00 0.57 H new ATOM 0 HG3 PRO A 66 -6.636 3.893 -8.668 1.00 0.57 H new ATOM 0 HD2 PRO A 66 -4.335 3.169 -7.116 1.00 0.51 H new ATOM 0 HD3 PRO A 66 -5.171 4.709 -7.095 1.00 0.51 H new ATOM 972 N GLU A 67 -5.471 0.628 -5.647 1.00 0.42 N ATOM 973 CA GLU A 67 -5.007 -0.708 -5.314 1.00 0.40 C ATOM 974 C GLU A 67 -4.860 -0.857 -3.798 1.00 0.37 C ATOM 975 O GLU A 67 -5.525 -1.692 -3.186 1.00 0.43 O ATOM 976 CB GLU A 67 -3.690 -1.025 -6.026 1.00 0.36 C ATOM 977 CG GLU A 67 -3.940 -1.472 -7.468 1.00 0.47 C ATOM 978 CD GLU A 67 -2.636 -1.904 -8.141 1.00 0.51 C ATOM 979 OE1 GLU A 67 -1.571 -1.494 -7.632 1.00 1.80 O ATOM 980 OE2 GLU A 67 -2.734 -2.635 -9.151 1.00 1.88 O ATOM 0 H GLU A 67 -4.778 1.218 -6.108 1.00 0.42 H new ATOM 0 HA GLU A 67 -5.751 -1.426 -5.660 1.00 0.40 H new ATOM 0 HB2 GLU A 67 -3.048 -0.144 -6.021 1.00 0.36 H new ATOM 0 HB3 GLU A 67 -3.160 -1.809 -5.485 1.00 0.36 H new ATOM 0 HG2 GLU A 67 -4.650 -2.299 -7.478 1.00 0.47 H new ATOM 0 HG3 GLU A 67 -4.392 -0.656 -8.032 1.00 0.47 H new ATOM 987 N PHE A 68 -3.986 -0.035 -3.237 1.00 0.33 N ATOM 988 CA PHE A 68 -3.744 -0.064 -1.805 1.00 0.31 C ATOM 989 C PHE A 68 -5.041 0.160 -1.024 1.00 0.30 C ATOM 990 O PHE A 68 -5.226 -0.404 0.053 1.00 0.35 O ATOM 991 CB PHE A 68 -2.772 1.075 -1.492 1.00 0.33 C ATOM 992 CG PHE A 68 -1.911 0.835 -0.250 1.00 0.53 C ATOM 993 CD1 PHE A 68 -1.395 -0.400 -0.008 1.00 1.27 C ATOM 994 CD2 PHE A 68 -1.661 1.857 0.612 1.00 0.29 C ATOM 995 CE1 PHE A 68 -0.596 -0.622 1.144 1.00 1.54 C ATOM 996 CE2 PHE A 68 -0.862 1.635 1.764 1.00 0.38 C ATOM 997 CZ PHE A 68 -0.346 0.400 2.006 1.00 1.04 C ATOM 0 H PHE A 68 -3.436 0.656 -3.748 1.00 0.33 H new ATOM 0 HA PHE A 68 -3.341 -1.035 -1.516 1.00 0.31 H new ATOM 0 HB2 PHE A 68 -2.118 1.227 -2.351 1.00 0.33 H new ATOM 0 HB3 PHE A 68 -3.339 1.996 -1.356 1.00 0.33 H new ATOM 0 HD1 PHE A 68 -1.593 -1.212 -0.692 1.00 1.27 H new ATOM 0 HD2 PHE A 68 -2.071 2.838 0.420 1.00 0.29 H new ATOM 0 HE1 PHE A 68 -0.186 -1.603 1.336 1.00 1.54 H new ATOM 0 HE2 PHE A 68 -0.664 2.447 2.448 1.00 0.38 H new ATOM 0 HZ PHE A 68 0.262 0.231 2.882 1.00 1.04 H new ATOM 1007 N LEU A 69 -5.905 0.983 -1.599 1.00 0.43 N ATOM 1008 CA LEU A 69 -7.179 1.288 -0.971 1.00 0.47 C ATOM 1009 C LEU A 69 -7.878 -0.017 -0.584 1.00 0.38 C ATOM 1010 O LEU A 69 -8.217 -0.222 0.581 1.00 0.39 O ATOM 1011 CB LEU A 69 -8.020 2.191 -1.876 1.00 0.67 C ATOM 1012 CG LEU A 69 -9.510 1.853 -1.962 1.00 1.28 C ATOM 1013 CD1 LEU A 69 -10.238 2.254 -0.677 1.00 1.72 C ATOM 1014 CD2 LEU A 69 -10.145 2.486 -3.202 1.00 1.98 C ATOM 0 H LEU A 69 -5.748 1.448 -2.493 1.00 0.43 H new ATOM 0 HA LEU A 69 -7.025 1.852 -0.051 1.00 0.47 H new ATOM 0 HB2 LEU A 69 -7.920 3.218 -1.525 1.00 0.67 H new ATOM 0 HB3 LEU A 69 -7.601 2.156 -2.882 1.00 0.67 H new ATOM 0 HG LEU A 69 -9.610 0.773 -2.065 1.00 1.28 H new ATOM 0 HD11 LEU A 69 -11.295 2.003 -0.764 1.00 1.72 H new ATOM 0 HD12 LEU A 69 -9.806 1.718 0.168 1.00 1.72 H new ATOM 0 HD13 LEU A 69 -10.132 3.327 -0.518 1.00 1.72 H new ATOM 0 HD21 LEU A 69 -11.204 2.230 -3.239 1.00 1.98 H new ATOM 0 HD22 LEU A 69 -10.035 3.569 -3.154 1.00 1.98 H new ATOM 0 HD23 LEU A 69 -9.649 2.110 -4.097 1.00 1.98 H new ATOM 1026 N THR A 70 -8.072 -0.866 -1.582 1.00 0.44 N ATOM 1027 CA THR A 70 -8.724 -2.145 -1.361 1.00 0.49 C ATOM 1028 C THR A 70 -7.921 -2.988 -0.368 1.00 0.42 C ATOM 1029 O THR A 70 -8.477 -3.519 0.592 1.00 0.51 O ATOM 1030 CB THR A 70 -8.910 -2.822 -2.720 1.00 0.65 C ATOM 1031 OG1 THR A 70 -10.059 -2.184 -3.271 1.00 0.85 O ATOM 1032 CG2 THR A 70 -9.325 -4.289 -2.592 1.00 0.75 C ATOM 0 H THR A 70 -7.789 -0.693 -2.546 1.00 0.44 H new ATOM 0 HA THR A 70 -9.707 -2.015 -0.909 1.00 0.49 H new ATOM 0 HB THR A 70 -7.982 -2.755 -3.288 1.00 0.65 H new ATOM 0 HG1 THR A 70 -10.251 -2.562 -4.155 1.00 0.85 H new ATOM 0 HG21 THR A 70 -9.443 -4.722 -3.585 1.00 0.75 H new ATOM 0 HG22 THR A 70 -8.558 -4.838 -2.046 1.00 0.75 H new ATOM 0 HG23 THR A 70 -10.270 -4.354 -2.053 1.00 0.75 H new ATOM 1040 N MET A 71 -6.626 -3.083 -0.632 1.00 0.42 N ATOM 1041 CA MET A 71 -5.742 -3.851 0.227 1.00 0.42 C ATOM 1042 C MET A 71 -5.920 -3.454 1.694 1.00 0.44 C ATOM 1043 O MET A 71 -6.271 -4.287 2.528 1.00 0.54 O ATOM 1044 CB MET A 71 -4.290 -3.615 -0.194 1.00 0.55 C ATOM 1045 CG MET A 71 -3.324 -4.365 0.726 1.00 0.57 C ATOM 1046 SD MET A 71 -1.710 -3.604 0.667 1.00 2.26 S ATOM 1047 CE MET A 71 -1.140 -3.958 2.321 1.00 2.28 C ATOM 0 H MET A 71 -6.168 -2.641 -1.429 1.00 0.42 H new ATOM 0 HA MET A 71 -5.993 -4.907 0.124 1.00 0.42 H new ATOM 0 HB2 MET A 71 -4.148 -3.945 -1.223 1.00 0.55 H new ATOM 0 HB3 MET A 71 -4.069 -2.548 -0.168 1.00 0.55 H new ATOM 0 HG2 MET A 71 -3.702 -4.357 1.748 1.00 0.57 H new ATOM 0 HG3 MET A 71 -3.254 -5.409 0.420 1.00 0.57 H new ATOM 0 HE1 MET A 71 -0.073 -4.179 2.299 1.00 2.28 H new ATOM 0 HE2 MET A 71 -1.318 -3.093 2.960 1.00 2.28 H new ATOM 0 HE3 MET A 71 -1.680 -4.818 2.716 1.00 2.28 H new ATOM 1057 N MET A 72 -5.669 -2.181 1.963 1.00 0.50 N ATOM 1058 CA MET A 72 -5.797 -1.663 3.315 1.00 0.67 C ATOM 1059 C MET A 72 -7.210 -1.890 3.857 1.00 0.70 C ATOM 1060 O MET A 72 -7.388 -2.564 4.871 1.00 0.85 O ATOM 1061 CB MET A 72 -5.483 -0.166 3.320 1.00 0.81 C ATOM 1062 CG MET A 72 -4.886 0.265 4.661 1.00 1.13 C ATOM 1063 SD MET A 72 -6.167 0.917 5.719 1.00 2.09 S ATOM 1064 CE MET A 72 -5.236 1.155 7.223 1.00 2.65 C ATOM 0 H MET A 72 -5.378 -1.493 1.268 1.00 0.50 H new ATOM 0 HA MET A 72 -5.092 -2.193 3.956 1.00 0.67 H new ATOM 0 HB2 MET A 72 -4.784 0.065 2.516 1.00 0.81 H new ATOM 0 HB3 MET A 72 -6.393 0.401 3.124 1.00 0.81 H new ATOM 0 HG2 MET A 72 -4.403 -0.585 5.143 1.00 1.13 H new ATOM 0 HG3 MET A 72 -4.117 1.020 4.500 1.00 1.13 H new ATOM 0 HE1 MET A 72 -5.890 1.560 7.995 1.00 2.65 H new ATOM 0 HE2 MET A 72 -4.831 0.199 7.555 1.00 2.65 H new ATOM 0 HE3 MET A 72 -4.418 1.851 7.038 1.00 2.65 H new ATOM 1074 N ALA A 73 -8.177 -1.315 3.158 1.00 0.62 N ATOM 1075 CA ALA A 73 -9.568 -1.447 3.557 1.00 0.75 C ATOM 1076 C ALA A 73 -9.843 -2.896 3.963 1.00 0.89 C ATOM 1077 O ALA A 73 -10.256 -3.160 5.092 1.00 1.14 O ATOM 1078 CB ALA A 73 -10.473 -0.980 2.415 1.00 0.64 C ATOM 0 H ALA A 73 -8.025 -0.757 2.318 1.00 0.62 H new ATOM 0 HA ALA A 73 -9.781 -0.817 4.421 1.00 0.75 H new ATOM 0 HB1 ALA A 73 -11.517 -1.079 2.714 1.00 0.64 H new ATOM 0 HB2 ALA A 73 -10.259 0.064 2.185 1.00 0.64 H new ATOM 0 HB3 ALA A 73 -10.289 -1.592 1.532 1.00 0.64 H new ATOM 1084 N ARG A 74 -9.603 -3.797 3.022 1.00 0.78 N ATOM 1085 CA ARG A 74 -9.820 -5.212 3.268 1.00 0.97 C ATOM 1086 C ARG A 74 -8.932 -5.693 4.417 1.00 1.03 C ATOM 1087 O ARG A 74 -9.327 -6.566 5.188 1.00 1.26 O ATOM 1088 CB ARG A 74 -9.518 -6.041 2.018 1.00 0.93 C ATOM 1089 CG ARG A 74 -10.501 -5.714 0.892 1.00 1.01 C ATOM 1090 CD ARG A 74 -10.958 -6.988 0.177 1.00 0.97 C ATOM 1091 NE ARG A 74 -11.556 -6.645 -1.133 1.00 1.60 N ATOM 1092 CZ ARG A 74 -12.197 -7.522 -1.918 1.00 2.26 C ATOM 1093 NH1 ARG A 74 -12.326 -8.798 -1.532 1.00 2.85 N ATOM 1094 NH2 ARG A 74 -12.708 -7.122 -3.091 1.00 3.21 N ATOM 0 H ARG A 74 -9.260 -3.574 2.087 1.00 0.78 H new ATOM 0 HA ARG A 74 -10.869 -5.345 3.534 1.00 0.97 H new ATOM 0 HB2 ARG A 74 -8.499 -5.844 1.684 1.00 0.93 H new ATOM 0 HB3 ARG A 74 -9.575 -7.103 2.259 1.00 0.93 H new ATOM 0 HG2 ARG A 74 -11.366 -5.191 1.300 1.00 1.01 H new ATOM 0 HG3 ARG A 74 -10.029 -5.040 0.177 1.00 1.01 H new ATOM 0 HD2 ARG A 74 -10.111 -7.659 0.035 1.00 0.97 H new ATOM 0 HD3 ARG A 74 -11.686 -7.519 0.791 1.00 0.97 H new ATOM 0 HE ARG A 74 -11.475 -5.682 -1.458 1.00 1.60 H new ATOM 0 HH11 ARG A 74 -11.936 -9.103 -0.640 1.00 2.85 H new ATOM 0 HH12 ARG A 74 -12.814 -9.465 -2.130 1.00 2.85 H new ATOM 0 HH21 ARG A 74 -12.609 -6.151 -3.386 1.00 3.21 H new ATOM 0 HH22 ARG A 74 -13.196 -7.789 -3.689 1.00 3.21 H new ATOM 1108 N LYS A 75 -7.749 -5.102 4.496 1.00 0.89 N ATOM 1109 CA LYS A 75 -6.802 -5.459 5.538 1.00 1.02 C ATOM 1110 C LYS A 75 -7.538 -5.565 6.876 1.00 1.18 C ATOM 1111 O LYS A 75 -7.512 -6.612 7.521 1.00 1.36 O ATOM 1112 CB LYS A 75 -5.630 -4.476 5.558 1.00 1.02 C ATOM 1113 CG LYS A 75 -4.351 -5.156 6.050 1.00 1.15 C ATOM 1114 CD LYS A 75 -3.791 -6.104 4.988 1.00 1.71 C ATOM 1115 CE LYS A 75 -4.188 -7.552 5.282 1.00 1.75 C ATOM 1116 NZ LYS A 75 -2.993 -8.360 5.614 1.00 2.31 N ATOM 0 H LYS A 75 -7.425 -4.378 3.855 1.00 0.89 H new ATOM 0 HA LYS A 75 -6.364 -6.437 5.335 1.00 1.02 H new ATOM 0 HB2 LYS A 75 -5.471 -4.075 4.557 1.00 1.02 H new ATOM 0 HB3 LYS A 75 -5.870 -3.632 6.205 1.00 1.02 H new ATOM 0 HG2 LYS A 75 -3.605 -4.401 6.298 1.00 1.15 H new ATOM 0 HG3 LYS A 75 -4.559 -5.711 6.965 1.00 1.15 H new ATOM 0 HD2 LYS A 75 -4.161 -5.814 4.005 1.00 1.71 H new ATOM 0 HD3 LYS A 75 -2.705 -6.020 4.957 1.00 1.71 H new ATOM 0 HE2 LYS A 75 -4.895 -7.580 6.111 1.00 1.75 H new ATOM 0 HE3 LYS A 75 -4.694 -7.979 4.416 1.00 1.75 H new ATOM 0 HZ1 LYS A 75 -3.280 -9.340 5.811 1.00 2.31 H new ATOM 0 HZ2 LYS A 75 -2.332 -8.348 4.811 1.00 2.31 H new ATOM 0 HZ3 LYS A 75 -2.526 -7.961 6.453 1.00 2.31 H new ATOM 1130 N MET A 76 -8.177 -4.467 7.252 1.00 1.14 N ATOM 1131 CA MET A 76 -8.919 -4.424 8.500 1.00 1.32 C ATOM 1132 C MET A 76 -9.997 -5.509 8.536 1.00 1.45 C ATOM 1133 O MET A 76 -10.218 -6.136 9.571 1.00 1.68 O ATOM 1134 CB MET A 76 -9.572 -3.049 8.658 1.00 1.31 C ATOM 1135 CG MET A 76 -8.727 -2.140 9.553 1.00 2.64 C ATOM 1136 SD MET A 76 -9.780 -1.238 10.676 1.00 3.06 S ATOM 1137 CE MET A 76 -10.025 0.260 9.735 1.00 4.15 C ATOM 0 H MET A 76 -8.196 -3.601 6.714 1.00 1.14 H new ATOM 0 HA MET A 76 -8.224 -4.603 9.320 1.00 1.32 H new ATOM 0 HB2 MET A 76 -9.697 -2.587 7.679 1.00 1.31 H new ATOM 0 HB3 MET A 76 -10.568 -3.163 9.086 1.00 1.31 H new ATOM 0 HG2 MET A 76 -8.008 -2.736 10.115 1.00 2.64 H new ATOM 0 HG3 MET A 76 -8.154 -1.444 8.941 1.00 2.64 H new ATOM 0 HE1 MET A 76 -10.666 0.941 10.295 1.00 4.15 H new ATOM 0 HE2 MET A 76 -9.062 0.736 9.552 1.00 4.15 H new ATOM 0 HE3 MET A 76 -10.497 0.018 8.783 1.00 4.15 H new ATOM 1147 N LYS A 77 -10.639 -5.698 7.392 1.00 1.37 N ATOM 1148 CA LYS A 77 -11.689 -6.696 7.279 1.00 1.54 C ATOM 1149 C LYS A 77 -11.106 -8.078 7.580 1.00 1.61 C ATOM 1150 O LYS A 77 -11.543 -8.751 8.513 1.00 1.90 O ATOM 1151 CB LYS A 77 -12.374 -6.601 5.915 1.00 1.50 C ATOM 1152 CG LYS A 77 -13.844 -7.014 6.009 1.00 1.69 C ATOM 1153 CD LYS A 77 -14.157 -8.153 5.036 1.00 2.44 C ATOM 1154 CE LYS A 77 -14.785 -7.616 3.748 1.00 2.46 C ATOM 1155 NZ LYS A 77 -15.417 -8.714 2.983 1.00 3.67 N ATOM 0 H LYS A 77 -10.452 -5.177 6.535 1.00 1.37 H new ATOM 0 HA LYS A 77 -12.471 -6.512 8.015 1.00 1.54 H new ATOM 0 HB2 LYS A 77 -12.303 -5.580 5.539 1.00 1.50 H new ATOM 0 HB3 LYS A 77 -11.858 -7.241 5.200 1.00 1.50 H new ATOM 0 HG2 LYS A 77 -14.073 -7.328 7.027 1.00 1.69 H new ATOM 0 HG3 LYS A 77 -14.481 -6.157 5.789 1.00 1.69 H new ATOM 0 HD2 LYS A 77 -13.242 -8.696 4.800 1.00 2.44 H new ATOM 0 HD3 LYS A 77 -14.836 -8.863 5.508 1.00 2.44 H new ATOM 0 HE2 LYS A 77 -15.529 -6.857 3.988 1.00 2.46 H new ATOM 0 HE3 LYS A 77 -14.022 -7.132 3.138 1.00 2.46 H new ATOM 0 HZ1 LYS A 77 -15.838 -8.333 2.112 1.00 3.67 H new ATOM 0 HZ2 LYS A 77 -14.698 -9.425 2.738 1.00 3.67 H new ATOM 0 HZ3 LYS A 77 -16.159 -9.158 3.561 1.00 3.67 H new ATOM 1169 N ASP A 78 -10.128 -8.462 6.773 1.00 1.43 N ATOM 1170 CA ASP A 78 -9.481 -9.752 6.941 1.00 1.61 C ATOM 1171 C ASP A 78 -9.039 -9.910 8.397 1.00 1.85 C ATOM 1172 O ASP A 78 -9.488 -10.821 9.091 1.00 2.11 O ATOM 1173 CB ASP A 78 -8.240 -9.865 6.054 1.00 1.56 C ATOM 1174 CG ASP A 78 -8.483 -10.484 4.676 1.00 2.03 C ATOM 1175 OD1 ASP A 78 -9.439 -11.283 4.574 1.00 2.51 O ATOM 1176 OD2 ASP A 78 -7.709 -10.143 3.756 1.00 2.98 O ATOM 0 H ASP A 78 -9.768 -7.902 6.000 1.00 1.43 H new ATOM 0 HA ASP A 78 -10.195 -10.527 6.662 1.00 1.61 H new ATOM 0 HB2 ASP A 78 -7.817 -8.870 5.919 1.00 1.56 H new ATOM 0 HB3 ASP A 78 -7.492 -10.461 6.576 1.00 1.56 H new ATOM 1181 N THR A 79 -8.163 -9.008 8.817 1.00 1.82 N ATOM 1182 CA THR A 79 -7.655 -9.036 10.177 1.00 2.10 C ATOM 1183 C THR A 79 -8.801 -8.875 11.178 1.00 2.27 C ATOM 1184 O THR A 79 -8.922 -9.658 12.119 1.00 2.43 O ATOM 1185 CB THR A 79 -6.582 -7.953 10.303 1.00 2.06 C ATOM 1186 OG1 THR A 79 -5.907 -8.272 11.517 1.00 2.73 O ATOM 1187 CG2 THR A 79 -7.176 -6.567 10.561 1.00 1.96 C ATOM 0 H THR A 79 -7.793 -8.254 8.239 1.00 1.82 H new ATOM 0 HA THR A 79 -7.196 -9.997 10.408 1.00 2.10 H new ATOM 0 HB THR A 79 -5.984 -7.928 9.392 1.00 2.06 H new ATOM 0 HG1 THR A 79 -5.193 -7.620 11.675 1.00 2.73 H new ATOM 0 HG21 THR A 79 -6.372 -5.836 10.642 1.00 1.96 H new ATOM 0 HG22 THR A 79 -7.833 -6.293 9.736 1.00 1.96 H new ATOM 0 HG23 THR A 79 -7.747 -6.583 11.489 1.00 1.96 H new TER 1195 THR A 79 HETATM 1196 CA CA A 80 7.516 5.463 -6.158 1.00 0.77 CA HETATM 1197 CA CA A 81 0.157 -2.355 -9.940 1.00 0.48 CA