USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 826 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 32 GLN : amide:sc= 0.601 K(o=0.79,f=0) USER MOD Set 1.2: A 48 TYR OH : rot 128:sc= 0.194 USER MOD Single : A 1 MET CE :methyl 165:sc=-0.00916 (180deg=-0.248) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.888 (180deg=0.467!) USER MOD Single : A 3 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.083) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -170:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.458 K(o=0.46,f=-0.071) USER MOD Single : A 13 GLN : amide:sc= -0.0563 X(o=-0.056,f=-0.054) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0977 K(o=-0.098,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -85:sc= 0.581 USER MOD Single : A 34 SER OG : rot 44:sc= 1.21 USER MOD Single : A 41 ASN : amide:sc= -0.555 K(o=-0.56,f=-8.8!) USER MOD Single : A 44 ASN : amide:sc= -0.0754 K(o=-0.075,f=-0.68) USER MOD Single : A 47 ASN : amide:sc= -0.479 K(o=-0.48,f=-3.4!) USER MOD Single : A 50 ASN : amide:sc= -0.0551 X(o=-0.055,f=-0.026) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.643 K(o=0.64,f=-0.072) USER MOD Single : A 58 SER OG : rot 130:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0.961 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.637 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 38:sc= 0.135 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 161:sc= 0.737 (180deg=0.428) USER MOD Single : A 100 HIS : no HD1:sc=-0.00328 X(o=-0.0033,f=-0.0033) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HE2:sc= -0.241 K(o=-0.24,f=-1.5) USER MOD Single : A 103 HIS : no HE2:sc= 0.41 K(o=0.41,f=-3.9!) USER MOD Single : A 104 HIS : no HD1:sc= -0.0586 X(o=-0.059,f=-0.44) USER MOD Single : A 105 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.661 -22.704 -1.972 1.00 10.35 N ATOM 2 CA MET A 1 26.660 -22.060 -2.863 1.00 31.20 C ATOM 3 C MET A 1 26.290 -20.656 -2.370 1.00 75.13 C ATOM 4 O MET A 1 25.977 -20.458 -1.195 1.00 33.32 O ATOM 5 CB MET A 1 25.395 -22.925 -2.975 1.00 11.21 C ATOM 6 CG MET A 1 25.631 -24.260 -3.671 1.00 41.01 C ATOM 7 SD MET A 1 26.780 -25.315 -2.773 1.00 33.51 S ATOM 8 CE MET A 1 25.789 -25.762 -1.352 1.00 22.12 C ATOM 0 H1 MET A 1 27.561 -23.738 -2.027 1.00 10.35 H new ATOM 0 H2 MET A 1 28.619 -22.433 -2.273 1.00 10.35 H new ATOM 0 H3 MET A 1 27.505 -22.393 -0.992 1.00 10.35 H new ATOM 0 HA MET A 1 27.115 -21.966 -3.849 1.00 31.20 H new ATOM 0 HB2 MET A 1 25.001 -23.110 -1.976 1.00 11.21 H new ATOM 0 HB3 MET A 1 24.632 -22.370 -3.520 1.00 11.21 H new ATOM 0 HG2 MET A 1 24.680 -24.779 -3.785 1.00 41.01 H new ATOM 0 HG3 MET A 1 26.017 -24.079 -4.674 1.00 41.01 H new ATOM 0 HE1 MET A 1 26.246 -26.610 -0.842 1.00 22.12 H new ATOM 0 HE2 MET A 1 25.731 -24.915 -0.668 1.00 22.12 H new ATOM 0 HE3 MET A 1 24.785 -26.034 -1.679 1.00 22.12 H new ATOM 20 N ASP A 2 26.338 -19.688 -3.280 1.00 25.31 N ATOM 21 CA ASP A 2 25.961 -18.301 -2.984 1.00 72.23 C ATOM 22 C ASP A 2 24.836 -17.836 -3.924 1.00 70.31 C ATOM 23 O ASP A 2 24.495 -18.527 -4.886 1.00 75.11 O ATOM 24 CB ASP A 2 27.188 -17.389 -3.112 1.00 21.04 C ATOM 25 CG ASP A 2 27.969 -17.649 -4.390 1.00 32.31 C ATOM 26 OD1 ASP A 2 27.522 -17.208 -5.462 1.00 65.02 O ATOM 27 OD2 ASP A 2 29.026 -18.320 -4.328 1.00 51.00 O ATOM 0 H ASP A 2 26.638 -19.838 -4.243 1.00 25.31 H new ATOM 0 HA ASP A 2 25.590 -18.246 -1.961 1.00 72.23 H new ATOM 0 HB2 ASP A 2 26.868 -16.347 -3.090 1.00 21.04 H new ATOM 0 HB3 ASP A 2 27.841 -17.540 -2.253 1.00 21.04 H new ATOM 32 N GLN A 3 24.251 -16.672 -3.642 1.00 22.11 N ATOM 33 CA GLN A 3 23.150 -16.146 -4.462 1.00 34.03 C ATOM 34 C GLN A 3 23.613 -15.025 -5.403 1.00 2.23 C ATOM 35 O GLN A 3 23.336 -15.076 -6.601 1.00 34.41 O ATOM 36 CB GLN A 3 22.006 -15.646 -3.567 1.00 15.04 C ATOM 37 CG GLN A 3 21.306 -16.754 -2.787 1.00 34.22 C ATOM 38 CD GLN A 3 20.676 -17.799 -3.695 1.00 54.10 C ATOM 39 OE1 GLN A 3 19.524 -17.679 -4.100 1.00 33.12 O ATOM 40 NE2 GLN A 3 21.427 -18.831 -4.031 1.00 42.23 N ATOM 0 H GLN A 3 24.516 -16.076 -2.858 1.00 22.11 H new ATOM 0 HA GLN A 3 22.790 -16.967 -5.082 1.00 34.03 H new ATOM 0 HB2 GLN A 3 22.401 -14.913 -2.864 1.00 15.04 H new ATOM 0 HB3 GLN A 3 21.272 -15.130 -4.186 1.00 15.04 H new ATOM 0 HG2 GLN A 3 22.025 -17.238 -2.126 1.00 34.22 H new ATOM 0 HG3 GLN A 3 20.535 -16.316 -2.153 1.00 34.22 H new ATOM 0 HE21 GLN A 3 22.381 -18.903 -3.679 1.00 42.23 H new ATOM 0 HE22 GLN A 3 21.053 -19.556 -4.643 1.00 42.23 H new ATOM 49 N LYS A 4 24.308 -14.017 -4.854 1.00 64.30 N ATOM 50 CA LYS A 4 24.769 -12.846 -5.630 1.00 24.11 C ATOM 51 C LYS A 4 23.585 -11.955 -6.060 1.00 61.23 C ATOM 52 O LYS A 4 23.539 -10.764 -5.742 1.00 75.13 O ATOM 53 CB LYS A 4 25.589 -13.292 -6.853 1.00 21.10 C ATOM 54 CG LYS A 4 26.861 -14.056 -6.495 1.00 34.13 C ATOM 55 CD LYS A 4 27.506 -14.699 -7.721 1.00 0.35 C ATOM 56 CE LYS A 4 26.605 -15.762 -8.342 1.00 30.53 C ATOM 57 NZ LYS A 4 27.272 -16.469 -9.467 1.00 75.11 N ATOM 0 H LYS A 4 24.567 -13.986 -3.868 1.00 64.30 H new ATOM 0 HA LYS A 4 25.413 -12.251 -4.983 1.00 24.11 H new ATOM 0 HB2 LYS A 4 24.965 -13.921 -7.488 1.00 21.10 H new ATOM 0 HB3 LYS A 4 25.857 -12.413 -7.440 1.00 21.10 H new ATOM 0 HG2 LYS A 4 27.572 -13.376 -6.026 1.00 34.13 H new ATOM 0 HG3 LYS A 4 26.626 -14.828 -5.762 1.00 34.13 H new ATOM 0 HD2 LYS A 4 27.725 -13.930 -8.462 1.00 0.35 H new ATOM 0 HD3 LYS A 4 28.457 -15.149 -7.437 1.00 0.35 H new ATOM 0 HE2 LYS A 4 26.318 -16.485 -7.579 1.00 30.53 H new ATOM 0 HE3 LYS A 4 25.687 -15.295 -8.700 1.00 30.53 H new ATOM 0 HZ1 LYS A 4 26.626 -17.183 -9.861 1.00 75.11 H new ATOM 0 HZ2 LYS A 4 27.523 -15.783 -10.208 1.00 75.11 H new ATOM 0 HZ3 LYS A 4 28.134 -16.936 -9.121 1.00 75.11 H new ATOM 71 N SER A 5 22.639 -12.537 -6.796 1.00 23.42 N ATOM 72 CA SER A 5 21.367 -11.874 -7.119 1.00 33.14 C ATOM 73 C SER A 5 20.617 -11.461 -5.842 1.00 73.12 C ATOM 74 O SER A 5 19.843 -10.501 -5.837 1.00 14.04 O ATOM 75 CB SER A 5 20.486 -12.816 -7.952 1.00 42.35 C ATOM 76 OG SER A 5 19.204 -12.258 -8.199 1.00 64.24 O ATOM 0 H SER A 5 22.727 -13.476 -7.185 1.00 23.42 H new ATOM 0 HA SER A 5 21.589 -10.974 -7.693 1.00 33.14 H new ATOM 0 HB2 SER A 5 20.978 -13.030 -8.901 1.00 42.35 H new ATOM 0 HB3 SER A 5 20.374 -13.766 -7.430 1.00 42.35 H new ATOM 0 HG SER A 5 18.672 -12.884 -8.733 1.00 64.24 H new ATOM 82 N SER A 6 20.851 -12.203 -4.765 1.00 10.54 N ATOM 83 CA SER A 6 20.288 -11.880 -3.447 1.00 22.32 C ATOM 84 C SER A 6 21.414 -11.684 -2.423 1.00 33.44 C ATOM 85 O SER A 6 21.826 -12.631 -1.750 1.00 70.34 O ATOM 86 CB SER A 6 19.338 -12.992 -2.975 1.00 43.33 C ATOM 87 OG SER A 6 18.299 -13.225 -3.918 1.00 44.02 O ATOM 0 H SER A 6 21.432 -13.041 -4.774 1.00 10.54 H new ATOM 0 HA SER A 6 19.721 -10.953 -3.535 1.00 22.32 H new ATOM 0 HB2 SER A 6 19.902 -13.912 -2.819 1.00 43.33 H new ATOM 0 HB3 SER A 6 18.904 -12.717 -2.014 1.00 43.33 H new ATOM 0 HG SER A 6 17.713 -13.939 -3.590 1.00 44.02 H new ATOM 93 N SER A 7 21.924 -10.457 -2.331 1.00 72.31 N ATOM 94 CA SER A 7 23.071 -10.146 -1.462 1.00 24.51 C ATOM 95 C SER A 7 23.062 -8.670 -1.029 1.00 60.10 C ATOM 96 O SER A 7 22.410 -7.835 -1.661 1.00 32.41 O ATOM 97 CB SER A 7 24.388 -10.464 -2.193 1.00 31.11 C ATOM 98 OG SER A 7 24.508 -11.852 -2.472 1.00 22.52 O ATOM 0 H SER A 7 21.563 -9.655 -2.848 1.00 72.31 H new ATOM 0 HA SER A 7 22.990 -10.764 -0.568 1.00 24.51 H new ATOM 0 HB2 SER A 7 24.434 -9.900 -3.124 1.00 31.11 H new ATOM 0 HB3 SER A 7 25.231 -10.140 -1.583 1.00 31.11 H new ATOM 0 HG SER A 7 25.415 -12.044 -2.791 1.00 22.52 H new ATOM 104 N PRO A 8 23.777 -8.327 0.064 1.00 13.31 N ATOM 105 CA PRO A 8 23.887 -6.933 0.536 1.00 2.24 C ATOM 106 C PRO A 8 24.806 -6.066 -0.346 1.00 60.13 C ATOM 107 O PRO A 8 25.307 -6.514 -1.379 1.00 45.11 O ATOM 108 CB PRO A 8 24.481 -7.093 1.941 1.00 53.45 C ATOM 109 CG PRO A 8 25.279 -8.351 1.868 1.00 21.30 C ATOM 110 CD PRO A 8 24.524 -9.263 0.935 1.00 22.01 C ATOM 0 HA PRO A 8 22.926 -6.419 0.511 1.00 2.24 H new ATOM 0 HB2 PRO A 8 25.107 -6.241 2.207 1.00 53.45 H new ATOM 0 HB3 PRO A 8 23.699 -7.162 2.697 1.00 53.45 H new ATOM 0 HG2 PRO A 8 26.284 -8.155 1.495 1.00 21.30 H new ATOM 0 HG3 PRO A 8 25.387 -8.803 2.854 1.00 21.30 H new ATOM 0 HD2 PRO A 8 25.199 -9.895 0.358 1.00 22.01 H new ATOM 0 HD3 PRO A 8 23.853 -9.927 1.479 1.00 22.01 H new ATOM 118 N GLN A 9 25.020 -4.816 0.064 1.00 61.23 N ATOM 119 CA GLN A 9 25.884 -3.889 -0.681 1.00 42.11 C ATOM 120 C GLN A 9 27.016 -3.340 0.206 1.00 13.22 C ATOM 121 O GLN A 9 26.760 -2.782 1.277 1.00 12.41 O ATOM 122 CB GLN A 9 25.046 -2.732 -1.250 1.00 21.14 C ATOM 123 CG GLN A 9 24.084 -3.161 -2.355 1.00 72.21 C ATOM 124 CD GLN A 9 24.805 -3.592 -3.626 1.00 32.15 C ATOM 125 OE1 GLN A 9 25.059 -2.783 -4.514 1.00 44.52 O ATOM 126 NE2 GLN A 9 25.144 -4.861 -3.722 1.00 74.22 N ATOM 0 H GLN A 9 24.608 -4.418 0.908 1.00 61.23 H new ATOM 0 HA GLN A 9 26.342 -4.440 -1.502 1.00 42.11 H new ATOM 0 HB2 GLN A 9 24.476 -2.275 -0.441 1.00 21.14 H new ATOM 0 HB3 GLN A 9 25.716 -1.966 -1.640 1.00 21.14 H new ATOM 0 HG2 GLN A 9 23.467 -3.984 -1.995 1.00 72.21 H new ATOM 0 HG3 GLN A 9 23.411 -2.336 -2.586 1.00 72.21 H new ATOM 0 HE21 GLN A 9 24.918 -5.508 -2.966 1.00 74.22 H new ATOM 0 HE22 GLN A 9 25.632 -5.197 -4.552 1.00 74.22 H new ATOM 135 N PRO A 10 28.281 -3.475 -0.241 1.00 73.20 N ATOM 136 CA PRO A 10 29.454 -3.008 0.524 1.00 53.53 C ATOM 137 C PRO A 10 29.576 -1.472 0.571 1.00 72.11 C ATOM 138 O PRO A 10 28.857 -0.750 -0.127 1.00 53.05 O ATOM 139 CB PRO A 10 30.632 -3.631 -0.237 1.00 34.14 C ATOM 140 CG PRO A 10 30.142 -3.769 -1.638 1.00 43.03 C ATOM 141 CD PRO A 10 28.675 -4.088 -1.530 1.00 22.11 C ATOM 0 HA PRO A 10 29.398 -3.300 1.573 1.00 53.53 H new ATOM 0 HB2 PRO A 10 31.517 -2.996 -0.187 1.00 34.14 H new ATOM 0 HB3 PRO A 10 30.909 -4.598 0.183 1.00 34.14 H new ATOM 0 HG2 PRO A 10 30.302 -2.849 -2.200 1.00 43.03 H new ATOM 0 HG3 PRO A 10 30.677 -4.561 -2.163 1.00 43.03 H new ATOM 0 HD2 PRO A 10 28.111 -3.668 -2.363 1.00 22.11 H new ATOM 0 HD3 PRO A 10 28.497 -5.163 -1.534 1.00 22.11 H new ATOM 149 N ALA A 11 30.515 -0.979 1.383 1.00 33.35 N ATOM 150 CA ALA A 11 30.676 0.464 1.633 1.00 11.24 C ATOM 151 C ALA A 11 31.075 1.279 0.381 1.00 13.30 C ATOM 152 O ALA A 11 31.294 2.488 0.468 1.00 42.30 O ATOM 153 CB ALA A 11 31.698 0.673 2.743 1.00 43.01 C ATOM 0 H ALA A 11 31.184 -1.562 1.886 1.00 33.35 H new ATOM 0 HA ALA A 11 29.698 0.840 1.932 1.00 11.24 H new ATOM 0 HB1 ALA A 11 31.819 1.740 2.930 1.00 43.01 H new ATOM 0 HB2 ALA A 11 31.353 0.182 3.653 1.00 43.01 H new ATOM 0 HB3 ALA A 11 32.655 0.247 2.442 1.00 43.01 H new ATOM 159 N ALA A 12 31.175 0.623 -0.773 1.00 52.21 N ATOM 160 CA ALA A 12 31.488 1.306 -2.035 1.00 30.21 C ATOM 161 C ALA A 12 30.382 2.294 -2.448 1.00 3.23 C ATOM 162 O ALA A 12 30.637 3.244 -3.191 1.00 73.24 O ATOM 163 CB ALA A 12 31.715 0.282 -3.139 1.00 1.43 C ATOM 0 H ALA A 12 31.044 -0.384 -0.864 1.00 52.21 H new ATOM 0 HA ALA A 12 32.399 1.883 -1.879 1.00 30.21 H new ATOM 0 HB1 ALA A 12 31.946 0.797 -4.071 1.00 1.43 H new ATOM 0 HB2 ALA A 12 32.547 -0.368 -2.867 1.00 1.43 H new ATOM 0 HB3 ALA A 12 30.814 -0.318 -3.270 1.00 1.43 H new ATOM 169 N GLN A 13 29.163 2.071 -1.953 1.00 42.24 N ATOM 170 CA GLN A 13 28.012 2.909 -2.310 1.00 50.23 C ATOM 171 C GLN A 13 28.074 4.295 -1.634 1.00 25.11 C ATOM 172 O GLN A 13 28.456 4.418 -0.467 1.00 21.13 O ATOM 173 CB GLN A 13 26.703 2.198 -1.933 1.00 64.12 C ATOM 174 CG GLN A 13 26.515 0.839 -2.607 1.00 65.14 C ATOM 175 CD GLN A 13 26.556 0.920 -4.126 1.00 43.42 C ATOM 176 OE1 GLN A 13 27.611 0.778 -4.741 1.00 45.34 O ATOM 177 NE2 GLN A 13 25.416 1.156 -4.744 1.00 71.34 N ATOM 0 H GLN A 13 28.945 1.316 -1.302 1.00 42.24 H new ATOM 0 HA GLN A 13 28.044 3.067 -3.388 1.00 50.23 H new ATOM 0 HB2 GLN A 13 26.674 2.063 -0.852 1.00 64.12 H new ATOM 0 HB3 GLN A 13 25.864 2.841 -2.196 1.00 64.12 H new ATOM 0 HG2 GLN A 13 27.294 0.158 -2.263 1.00 65.14 H new ATOM 0 HG3 GLN A 13 25.560 0.414 -2.297 1.00 65.14 H new ATOM 0 HE21 GLN A 13 24.558 1.269 -4.205 1.00 71.34 H new ATOM 0 HE22 GLN A 13 25.392 1.226 -5.761 1.00 71.34 H new ATOM 186 N ALA A 14 27.678 5.327 -2.382 1.00 61.10 N ATOM 187 CA ALA A 14 27.718 6.718 -1.904 1.00 21.11 C ATOM 188 C ALA A 14 26.730 6.969 -0.745 1.00 2.34 C ATOM 189 O ALA A 14 25.726 6.262 -0.609 1.00 24.31 O ATOM 190 CB ALA A 14 27.423 7.663 -3.066 1.00 10.03 C ATOM 0 H ALA A 14 27.321 5.227 -3.332 1.00 61.10 H new ATOM 0 HA ALA A 14 28.718 6.908 -1.514 1.00 21.11 H new ATOM 0 HB1 ALA A 14 27.452 8.694 -2.713 1.00 10.03 H new ATOM 0 HB2 ALA A 14 28.172 7.525 -3.846 1.00 10.03 H new ATOM 0 HB3 ALA A 14 26.434 7.446 -3.470 1.00 10.03 H new ATOM 196 N PRO A 15 27.002 7.990 0.106 1.00 33.11 N ATOM 197 CA PRO A 15 26.136 8.334 1.256 1.00 12.11 C ATOM 198 C PRO A 15 24.666 8.587 0.863 1.00 40.35 C ATOM 199 O PRO A 15 24.343 9.563 0.177 1.00 63.12 O ATOM 200 CB PRO A 15 26.778 9.615 1.830 1.00 3.21 C ATOM 201 CG PRO A 15 27.701 10.108 0.762 1.00 43.11 C ATOM 202 CD PRO A 15 28.170 8.885 0.027 1.00 2.25 C ATOM 0 HA PRO A 15 26.084 7.511 1.969 1.00 12.11 H new ATOM 0 HB2 PRO A 15 26.020 10.361 2.070 1.00 3.21 H new ATOM 0 HB3 PRO A 15 27.320 9.404 2.752 1.00 3.21 H new ATOM 0 HG2 PRO A 15 27.188 10.795 0.089 1.00 43.11 H new ATOM 0 HG3 PRO A 15 28.542 10.651 1.193 1.00 43.11 H new ATOM 0 HD2 PRO A 15 28.438 9.111 -1.005 1.00 2.25 H new ATOM 0 HD3 PRO A 15 29.050 8.444 0.495 1.00 2.25 H new ATOM 210 N GLU A 16 23.781 7.699 1.312 1.00 63.12 N ATOM 211 CA GLU A 16 22.352 7.790 0.996 1.00 11.01 C ATOM 212 C GLU A 16 21.623 8.816 1.882 1.00 11.25 C ATOM 213 O GLU A 16 21.994 9.047 3.036 1.00 20.04 O ATOM 214 CB GLU A 16 21.671 6.404 1.110 1.00 34.13 C ATOM 215 CG GLU A 16 22.333 5.421 2.084 1.00 14.31 C ATOM 216 CD GLU A 16 22.496 5.957 3.503 1.00 30.22 C ATOM 217 OE1 GLU A 16 21.495 6.016 4.246 1.00 14.14 O ATOM 218 OE2 GLU A 16 23.640 6.293 3.888 1.00 5.42 O ATOM 0 H GLU A 16 24.028 6.903 1.900 1.00 63.12 H new ATOM 0 HA GLU A 16 22.279 8.136 -0.035 1.00 11.01 H new ATOM 0 HB2 GLU A 16 20.636 6.551 1.418 1.00 34.13 H new ATOM 0 HB3 GLU A 16 21.648 5.948 0.120 1.00 34.13 H new ATOM 0 HG2 GLU A 16 21.740 4.507 2.119 1.00 14.31 H new ATOM 0 HG3 GLU A 16 23.315 5.149 1.696 1.00 14.31 H new ATOM 225 N THR A 17 20.587 9.438 1.321 1.00 11.33 N ATOM 226 CA THR A 17 19.743 10.382 2.063 1.00 43.31 C ATOM 227 C THR A 17 18.740 9.617 2.935 1.00 33.42 C ATOM 228 O THR A 17 17.782 9.031 2.433 1.00 30.41 O ATOM 229 CB THR A 17 18.984 11.335 1.108 1.00 4.40 C ATOM 230 OG1 THR A 17 19.923 12.005 0.249 1.00 41.30 O ATOM 231 CG2 THR A 17 18.177 12.373 1.885 1.00 64.24 C ATOM 0 H THR A 17 20.308 9.306 0.349 1.00 11.33 H new ATOM 0 HA THR A 17 20.394 10.984 2.697 1.00 43.31 H new ATOM 0 HB THR A 17 18.292 10.739 0.513 1.00 4.40 H new ATOM 0 HG1 THR A 17 19.441 12.607 -0.356 1.00 41.30 H new ATOM 0 HG21 THR A 17 17.656 13.027 1.186 1.00 64.24 H new ATOM 0 HG22 THR A 17 17.449 11.867 2.520 1.00 64.24 H new ATOM 0 HG23 THR A 17 18.849 12.967 2.505 1.00 64.24 H new ATOM 239 N LYS A 18 18.972 9.624 4.242 1.00 21.02 N ATOM 240 CA LYS A 18 18.247 8.748 5.163 1.00 62.24 C ATOM 241 C LYS A 18 17.007 9.414 5.783 1.00 35.25 C ATOM 242 O LYS A 18 17.096 10.455 6.439 1.00 53.20 O ATOM 243 CB LYS A 18 19.210 8.272 6.254 1.00 15.23 C ATOM 244 CG LYS A 18 18.567 7.419 7.347 1.00 41.54 C ATOM 245 CD LYS A 18 19.622 6.784 8.248 1.00 70.44 C ATOM 246 CE LYS A 18 20.583 7.823 8.828 1.00 41.04 C ATOM 247 NZ LYS A 18 21.799 7.190 9.402 1.00 35.23 N ATOM 0 H LYS A 18 19.659 10.228 4.693 1.00 21.02 H new ATOM 0 HA LYS A 18 17.872 7.899 4.591 1.00 62.24 H new ATOM 0 HB2 LYS A 18 20.010 7.697 5.788 1.00 15.23 H new ATOM 0 HB3 LYS A 18 19.672 9.144 6.717 1.00 15.23 H new ATOM 0 HG2 LYS A 18 17.898 8.036 7.946 1.00 41.54 H new ATOM 0 HG3 LYS A 18 17.958 6.639 6.891 1.00 41.54 H new ATOM 0 HD2 LYS A 18 19.130 6.251 9.062 1.00 70.44 H new ATOM 0 HD3 LYS A 18 20.187 6.046 7.679 1.00 70.44 H new ATOM 0 HE2 LYS A 18 20.873 8.526 8.047 1.00 41.04 H new ATOM 0 HE3 LYS A 18 20.073 8.398 9.601 1.00 41.04 H new ATOM 0 HZ1 LYS A 18 22.426 7.926 9.785 1.00 35.23 H new ATOM 0 HZ2 LYS A 18 21.524 6.538 10.164 1.00 35.23 H new ATOM 0 HZ3 LYS A 18 22.299 6.662 8.659 1.00 35.23 H new ATOM 261 N GLN A 19 15.852 8.797 5.544 1.00 62.50 N ATOM 262 CA GLN A 19 14.590 9.169 6.196 1.00 3.12 C ATOM 263 C GLN A 19 13.898 7.935 6.790 1.00 42.12 C ATOM 264 O GLN A 19 13.910 6.861 6.192 1.00 22.53 O ATOM 265 CB GLN A 19 13.652 9.878 5.206 1.00 33.12 C ATOM 266 CG GLN A 19 14.081 11.303 4.868 1.00 51.54 C ATOM 267 CD GLN A 19 13.923 12.235 6.061 1.00 11.11 C ATOM 268 OE1 GLN A 19 13.040 12.053 6.889 1.00 74.04 O ATOM 269 NE2 GLN A 19 14.784 13.224 6.176 1.00 73.52 N ATOM 0 H GLN A 19 15.761 8.020 4.890 1.00 62.50 H new ATOM 0 HA GLN A 19 14.823 9.859 7.007 1.00 3.12 H new ATOM 0 HB2 GLN A 19 13.601 9.295 4.286 1.00 33.12 H new ATOM 0 HB3 GLN A 19 12.646 9.900 5.625 1.00 33.12 H new ATOM 0 HG2 GLN A 19 15.121 11.302 4.542 1.00 51.54 H new ATOM 0 HG3 GLN A 19 13.485 11.675 4.034 1.00 51.54 H new ATOM 0 HE21 GLN A 19 15.510 13.353 5.471 1.00 73.52 H new ATOM 0 HE22 GLN A 19 14.725 13.862 6.970 1.00 73.52 H new ATOM 278 N ALA A 20 13.297 8.091 7.965 1.00 62.03 N ATOM 279 CA ALA A 20 12.618 6.978 8.636 1.00 50.44 C ATOM 280 C ALA A 20 11.156 6.851 8.179 1.00 74.34 C ATOM 281 O ALA A 20 10.404 7.825 8.210 1.00 73.21 O ATOM 282 CB ALA A 20 12.684 7.160 10.149 1.00 13.04 C ATOM 0 H ALA A 20 13.264 8.974 8.475 1.00 62.03 H new ATOM 0 HA ALA A 20 13.133 6.057 8.362 1.00 50.44 H new ATOM 0 HB1 ALA A 20 12.177 6.328 10.638 1.00 13.04 H new ATOM 0 HB2 ALA A 20 13.726 7.187 10.467 1.00 13.04 H new ATOM 0 HB3 ALA A 20 12.196 8.095 10.425 1.00 13.04 H new ATOM 288 N PHE A 21 10.764 5.647 7.752 1.00 50.30 N ATOM 289 CA PHE A 21 9.380 5.374 7.331 1.00 71.52 C ATOM 290 C PHE A 21 8.385 5.589 8.487 1.00 41.31 C ATOM 291 O PHE A 21 8.397 4.838 9.467 1.00 61.33 O ATOM 292 CB PHE A 21 9.246 3.925 6.834 1.00 73.10 C ATOM 293 CG PHE A 21 10.013 3.613 5.572 1.00 52.20 C ATOM 294 CD1 PHE A 21 9.604 4.124 4.348 1.00 62.30 C ATOM 295 CD2 PHE A 21 11.137 2.797 5.608 1.00 20.10 C ATOM 296 CE1 PHE A 21 10.296 3.827 3.191 1.00 4.44 C ATOM 297 CE2 PHE A 21 11.834 2.500 4.453 1.00 70.14 C ATOM 298 CZ PHE A 21 11.412 3.013 3.243 1.00 31.42 C ATOM 0 H PHE A 21 11.386 4.841 7.687 1.00 50.30 H new ATOM 0 HA PHE A 21 9.146 6.071 6.526 1.00 71.52 H new ATOM 0 HB2 PHE A 21 9.584 3.253 7.623 1.00 73.10 H new ATOM 0 HB3 PHE A 21 8.191 3.711 6.663 1.00 73.10 H new ATOM 0 HD1 PHE A 21 8.734 4.762 4.300 1.00 62.30 H new ATOM 0 HD2 PHE A 21 11.470 2.390 6.551 1.00 20.10 H new ATOM 0 HE1 PHE A 21 9.965 4.231 2.245 1.00 4.44 H new ATOM 0 HE2 PHE A 21 12.708 1.867 4.497 1.00 70.14 H new ATOM 0 HZ PHE A 21 11.953 2.779 2.338 1.00 31.42 H new ATOM 308 N PRO A 22 7.504 6.606 8.403 1.00 44.51 N ATOM 309 CA PRO A 22 6.479 6.814 9.431 1.00 11.42 C ATOM 310 C PRO A 22 5.320 5.813 9.282 1.00 13.21 C ATOM 311 O PRO A 22 4.384 6.026 8.511 1.00 21.13 O ATOM 312 CB PRO A 22 6.011 8.251 9.169 1.00 31.43 C ATOM 313 CG PRO A 22 6.242 8.465 7.706 1.00 4.00 C ATOM 314 CD PRO A 22 7.438 7.620 7.331 1.00 51.52 C ATOM 0 HA PRO A 22 6.855 6.663 10.443 1.00 11.42 H new ATOM 0 HB2 PRO A 22 4.960 8.378 9.427 1.00 31.43 H new ATOM 0 HB3 PRO A 22 6.575 8.966 9.768 1.00 31.43 H new ATOM 0 HG2 PRO A 22 5.365 8.173 7.128 1.00 4.00 H new ATOM 0 HG3 PRO A 22 6.429 9.518 7.493 1.00 4.00 H new ATOM 0 HD2 PRO A 22 7.311 7.159 6.352 1.00 51.52 H new ATOM 0 HD3 PRO A 22 8.350 8.215 7.287 1.00 51.52 H new ATOM 322 N ARG A 23 5.380 4.725 10.048 1.00 41.24 N ATOM 323 CA ARG A 23 4.397 3.644 9.930 1.00 55.21 C ATOM 324 C ARG A 23 3.119 3.918 10.731 1.00 30.23 C ATOM 325 O ARG A 23 2.074 3.333 10.452 1.00 63.14 O ATOM 326 CB ARG A 23 5.013 2.282 10.304 1.00 33.22 C ATOM 327 CG ARG A 23 5.772 2.246 11.628 1.00 44.33 C ATOM 328 CD ARG A 23 6.351 0.853 11.890 1.00 21.22 C ATOM 329 NE ARG A 23 7.275 0.828 13.021 1.00 2.45 N ATOM 330 CZ ARG A 23 7.804 -0.262 13.513 1.00 2.32 C ATOM 331 NH1 ARG A 23 7.496 -1.424 13.031 1.00 42.10 N ATOM 332 NH2 ARG A 23 8.643 -0.187 14.489 1.00 34.52 N ATOM 0 H ARG A 23 6.097 4.567 10.756 1.00 41.24 H new ATOM 0 HA ARG A 23 4.103 3.604 8.881 1.00 55.21 H new ATOM 0 HB2 ARG A 23 4.215 1.540 10.342 1.00 33.22 H new ATOM 0 HB3 ARG A 23 5.692 1.979 9.507 1.00 33.22 H new ATOM 0 HG2 ARG A 23 6.577 2.981 11.610 1.00 44.33 H new ATOM 0 HG3 ARG A 23 5.103 2.525 12.442 1.00 44.33 H new ATOM 0 HD2 ARG A 23 5.535 0.155 12.078 1.00 21.22 H new ATOM 0 HD3 ARG A 23 6.869 0.506 10.996 1.00 21.22 H new ATOM 0 HE ARG A 23 7.523 1.717 13.455 1.00 2.45 H new ATOM 0 HH11 ARG A 23 6.834 -1.497 12.259 1.00 42.10 H new ATOM 0 HH12 ARG A 23 7.916 -2.267 13.424 1.00 42.10 H new ATOM 0 HH21 ARG A 23 8.894 0.722 14.877 1.00 34.52 H new ATOM 0 HH22 ARG A 23 9.056 -1.037 14.873 1.00 34.52 H new ATOM 346 N LYS A 24 3.202 4.796 11.729 1.00 60.54 N ATOM 347 CA LYS A 24 2.020 5.196 12.509 1.00 53.34 C ATOM 348 C LYS A 24 0.868 5.648 11.591 1.00 73.34 C ATOM 349 O LYS A 24 -0.263 5.186 11.723 1.00 32.41 O ATOM 350 CB LYS A 24 2.377 6.328 13.482 1.00 71.33 C ATOM 351 CG LYS A 24 3.459 5.963 14.494 1.00 42.41 C ATOM 352 CD LYS A 24 3.800 7.140 15.406 1.00 62.33 C ATOM 353 CE LYS A 24 4.913 6.796 16.388 1.00 30.50 C ATOM 354 NZ LYS A 24 5.232 7.941 17.282 1.00 54.01 N ATOM 0 H LYS A 24 4.070 5.246 12.020 1.00 60.54 H new ATOM 0 HA LYS A 24 1.689 4.324 13.074 1.00 53.34 H new ATOM 0 HB2 LYS A 24 2.708 7.194 12.909 1.00 71.33 H new ATOM 0 HB3 LYS A 24 1.477 6.627 14.020 1.00 71.33 H new ATOM 0 HG2 LYS A 24 3.123 5.120 15.098 1.00 42.41 H new ATOM 0 HG3 LYS A 24 4.356 5.639 13.967 1.00 42.41 H new ATOM 0 HD2 LYS A 24 4.103 7.993 14.799 1.00 62.33 H new ATOM 0 HD3 LYS A 24 2.910 7.441 15.958 1.00 62.33 H new ATOM 0 HE2 LYS A 24 4.615 5.937 16.989 1.00 30.50 H new ATOM 0 HE3 LYS A 24 5.807 6.505 15.837 1.00 30.50 H new ATOM 0 HZ1 LYS A 24 5.994 7.669 17.936 1.00 54.01 H new ATOM 0 HZ2 LYS A 24 5.540 8.753 16.710 1.00 54.01 H new ATOM 0 HZ3 LYS A 24 4.385 8.203 17.826 1.00 54.01 H new ATOM 368 N PHE A 25 1.172 6.548 10.656 1.00 74.21 N ATOM 369 CA PHE A 25 0.169 7.050 9.707 1.00 2.32 C ATOM 370 C PHE A 25 -0.078 6.066 8.550 1.00 25.12 C ATOM 371 O PHE A 25 -1.222 5.834 8.161 1.00 74.31 O ATOM 372 CB PHE A 25 0.602 8.410 9.148 1.00 32.43 C ATOM 373 CG PHE A 25 0.612 9.514 10.174 1.00 23.23 C ATOM 374 CD1 PHE A 25 1.724 9.727 10.978 1.00 3.40 C ATOM 375 CD2 PHE A 25 -0.493 10.339 10.339 1.00 74.43 C ATOM 376 CE1 PHE A 25 1.734 10.740 11.918 1.00 21.11 C ATOM 377 CE2 PHE A 25 -0.486 11.353 11.278 1.00 54.42 C ATOM 378 CZ PHE A 25 0.627 11.553 12.070 1.00 25.35 C ATOM 0 H PHE A 25 2.103 6.946 10.533 1.00 74.21 H new ATOM 0 HA PHE A 25 -0.767 7.159 10.255 1.00 2.32 H new ATOM 0 HB2 PHE A 25 1.600 8.315 8.720 1.00 32.43 H new ATOM 0 HB3 PHE A 25 -0.068 8.688 8.335 1.00 32.43 H new ATOM 0 HD1 PHE A 25 2.592 9.093 10.867 1.00 3.40 H new ATOM 0 HD2 PHE A 25 -1.369 10.186 9.726 1.00 74.43 H new ATOM 0 HE1 PHE A 25 2.607 10.896 12.534 1.00 21.11 H new ATOM 0 HE2 PHE A 25 -1.351 11.989 11.392 1.00 54.42 H new ATOM 0 HZ PHE A 25 0.632 12.343 12.807 1.00 25.35 H new ATOM 388 N VAL A 26 0.997 5.489 8.005 1.00 34.00 N ATOM 389 CA VAL A 26 0.884 4.554 6.873 1.00 33.04 C ATOM 390 C VAL A 26 -0.017 3.349 7.206 1.00 5.31 C ATOM 391 O VAL A 26 -0.972 3.063 6.482 1.00 31.33 O ATOM 392 CB VAL A 26 2.277 4.051 6.408 1.00 44.33 C ATOM 393 CG1 VAL A 26 2.140 2.997 5.310 1.00 12.32 C ATOM 394 CG2 VAL A 26 3.136 5.218 5.922 1.00 53.14 C ATOM 0 H VAL A 26 1.952 5.649 8.325 1.00 34.00 H new ATOM 0 HA VAL A 26 0.422 5.113 6.060 1.00 33.04 H new ATOM 0 HB VAL A 26 2.770 3.589 7.263 1.00 44.33 H new ATOM 0 HG11 VAL A 26 3.130 2.661 5.002 1.00 12.32 H new ATOM 0 HG12 VAL A 26 1.571 2.148 5.689 1.00 12.32 H new ATOM 0 HG13 VAL A 26 1.621 3.429 4.454 1.00 12.32 H new ATOM 0 HG21 VAL A 26 4.108 4.845 5.600 1.00 53.14 H new ATOM 0 HG22 VAL A 26 2.641 5.710 5.085 1.00 53.14 H new ATOM 0 HG23 VAL A 26 3.272 5.933 6.734 1.00 53.14 H new ATOM 404 N LEU A 27 0.282 2.655 8.307 1.00 32.42 N ATOM 405 CA LEU A 27 -0.533 1.511 8.746 1.00 75.43 C ATOM 406 C LEU A 27 -1.982 1.941 9.022 1.00 64.40 C ATOM 407 O LEU A 27 -2.925 1.194 8.753 1.00 73.11 O ATOM 408 CB LEU A 27 0.078 0.861 9.998 1.00 50.21 C ATOM 409 CG LEU A 27 1.486 0.263 9.811 1.00 41.30 C ATOM 410 CD1 LEU A 27 2.009 -0.315 11.123 1.00 13.22 C ATOM 411 CD2 LEU A 27 1.478 -0.801 8.716 1.00 72.23 C ATOM 0 H LEU A 27 1.078 2.861 8.911 1.00 32.42 H new ATOM 0 HA LEU A 27 -0.542 0.777 7.941 1.00 75.43 H new ATOM 0 HB2 LEU A 27 0.121 1.608 10.790 1.00 50.21 H new ATOM 0 HB3 LEU A 27 -0.591 0.072 10.340 1.00 50.21 H new ATOM 0 HG LEU A 27 2.158 1.065 9.503 1.00 41.30 H new ATOM 0 HD11 LEU A 27 3.004 -0.731 10.966 1.00 13.22 H new ATOM 0 HD12 LEU A 27 2.060 0.474 11.873 1.00 13.22 H new ATOM 0 HD13 LEU A 27 1.337 -1.101 11.468 1.00 13.22 H new ATOM 0 HD21 LEU A 27 2.481 -1.211 8.600 1.00 72.23 H new ATOM 0 HD22 LEU A 27 0.789 -1.600 8.990 1.00 72.23 H new ATOM 0 HD23 LEU A 27 1.158 -0.353 7.775 1.00 72.23 H new ATOM 423 N ALA A 28 -2.148 3.158 9.542 1.00 21.02 N ATOM 424 CA ALA A 28 -3.477 3.728 9.793 1.00 71.03 C ATOM 425 C ALA A 28 -4.270 3.909 8.486 1.00 32.03 C ATOM 426 O ALA A 28 -5.467 3.625 8.428 1.00 51.35 O ATOM 427 CB ALA A 28 -3.353 5.062 10.523 1.00 24.15 C ATOM 0 H ALA A 28 -1.376 3.772 9.799 1.00 21.02 H new ATOM 0 HA ALA A 28 -4.025 3.027 10.422 1.00 71.03 H new ATOM 0 HB1 ALA A 28 -4.347 5.472 10.702 1.00 24.15 H new ATOM 0 HB2 ALA A 28 -2.846 4.910 11.476 1.00 24.15 H new ATOM 0 HB3 ALA A 28 -2.777 5.758 9.913 1.00 24.15 H new ATOM 433 N ALA A 29 -3.600 4.382 7.440 1.00 25.14 N ATOM 434 CA ALA A 29 -4.233 4.548 6.126 1.00 33.30 C ATOM 435 C ALA A 29 -4.529 3.190 5.473 1.00 15.01 C ATOM 436 O ALA A 29 -5.512 3.029 4.746 1.00 53.20 O ATOM 437 CB ALA A 29 -3.340 5.387 5.219 1.00 44.43 C ATOM 0 H ALA A 29 -2.619 4.659 7.472 1.00 25.14 H new ATOM 0 HA ALA A 29 -5.183 5.063 6.270 1.00 33.30 H new ATOM 0 HB1 ALA A 29 -3.818 5.505 4.246 1.00 44.43 H new ATOM 0 HB2 ALA A 29 -3.184 6.368 5.668 1.00 44.43 H new ATOM 0 HB3 ALA A 29 -2.379 4.889 5.093 1.00 44.43 H new ATOM 443 N LEU A 30 -3.665 2.219 5.745 1.00 5.10 N ATOM 444 CA LEU A 30 -3.813 0.863 5.215 1.00 63.33 C ATOM 445 C LEU A 30 -5.036 0.152 5.826 1.00 10.14 C ATOM 446 O LEU A 30 -5.886 -0.375 5.102 1.00 62.20 O ATOM 447 CB LEU A 30 -2.523 0.074 5.490 1.00 53.32 C ATOM 448 CG LEU A 30 -2.429 -1.320 4.849 1.00 71.33 C ATOM 449 CD1 LEU A 30 -2.684 -1.252 3.346 1.00 54.14 C ATOM 450 CD2 LEU A 30 -1.059 -1.931 5.130 1.00 34.20 C ATOM 0 H LEU A 30 -2.844 2.346 6.337 1.00 5.10 H new ATOM 0 HA LEU A 30 -3.981 0.918 4.140 1.00 63.33 H new ATOM 0 HB2 LEU A 30 -1.678 0.668 5.143 1.00 53.32 H new ATOM 0 HB3 LEU A 30 -2.413 -0.037 6.569 1.00 53.32 H new ATOM 0 HG LEU A 30 -3.199 -1.953 5.290 1.00 71.33 H new ATOM 0 HD11 LEU A 30 -2.611 -2.252 2.919 1.00 54.14 H new ATOM 0 HD12 LEU A 30 -3.681 -0.851 3.164 1.00 54.14 H new ATOM 0 HD13 LEU A 30 -1.942 -0.604 2.880 1.00 54.14 H new ATOM 0 HD21 LEU A 30 -1.000 -2.919 4.673 1.00 34.20 H new ATOM 0 HD22 LEU A 30 -0.282 -1.291 4.712 1.00 34.20 H new ATOM 0 HD23 LEU A 30 -0.915 -2.021 6.207 1.00 34.20 H new ATOM 462 N GLU A 31 -5.138 0.160 7.156 1.00 5.25 N ATOM 463 CA GLU A 31 -6.269 -0.474 7.854 1.00 33.21 C ATOM 464 C GLU A 31 -7.610 0.192 7.488 1.00 64.30 C ATOM 465 O GLU A 31 -8.620 -0.488 7.303 1.00 42.40 O ATOM 466 CB GLU A 31 -6.063 -0.426 9.378 1.00 1.41 C ATOM 467 CG GLU A 31 -5.934 0.985 9.943 1.00 44.34 C ATOM 468 CD GLU A 31 -5.898 1.022 11.463 1.00 24.34 C ATOM 469 OE1 GLU A 31 -4.879 0.603 12.052 1.00 62.11 O ATOM 470 OE2 GLU A 31 -6.893 1.463 12.076 1.00 30.34 O ATOM 0 H GLU A 31 -4.455 0.597 7.775 1.00 5.25 H new ATOM 0 HA GLU A 31 -6.306 -1.514 7.529 1.00 33.21 H new ATOM 0 HB2 GLU A 31 -6.902 -0.925 9.863 1.00 1.41 H new ATOM 0 HB3 GLU A 31 -5.166 -0.991 9.631 1.00 1.41 H new ATOM 0 HG2 GLU A 31 -5.025 1.443 9.553 1.00 44.34 H new ATOM 0 HG3 GLU A 31 -6.771 1.588 9.591 1.00 44.34 H new ATOM 477 N GLN A 32 -7.608 1.521 7.367 1.00 11.21 N ATOM 478 CA GLN A 32 -8.833 2.280 7.061 1.00 54.42 C ATOM 479 C GLN A 32 -9.278 2.116 5.598 1.00 54.23 C ATOM 480 O GLN A 32 -10.305 2.663 5.189 1.00 72.13 O ATOM 481 CB GLN A 32 -8.626 3.767 7.385 1.00 4.45 C ATOM 482 CG GLN A 32 -8.520 4.056 8.879 1.00 22.23 C ATOM 483 CD GLN A 32 -8.272 5.524 9.180 1.00 41.53 C ATOM 484 OE1 GLN A 32 -9.202 6.310 9.328 1.00 42.40 O ATOM 485 NE2 GLN A 32 -7.014 5.906 9.278 1.00 4.12 N ATOM 0 H GLN A 32 -6.774 2.098 7.475 1.00 11.21 H new ATOM 0 HA GLN A 32 -9.628 1.873 7.686 1.00 54.42 H new ATOM 0 HB2 GLN A 32 -7.719 4.115 6.891 1.00 4.45 H new ATOM 0 HB3 GLN A 32 -9.455 4.340 6.970 1.00 4.45 H new ATOM 0 HG2 GLN A 32 -9.439 3.739 9.371 1.00 22.23 H new ATOM 0 HG3 GLN A 32 -7.711 3.461 9.303 1.00 22.23 H new ATOM 0 HE21 GLN A 32 -6.263 5.227 9.149 1.00 4.12 H new ATOM 0 HE22 GLN A 32 -6.791 6.880 9.482 1.00 4.12 H new ATOM 494 N SER A 33 -8.497 1.377 4.810 1.00 12.02 N ATOM 495 CA SER A 33 -8.865 1.054 3.420 1.00 3.34 C ATOM 496 C SER A 33 -8.990 -0.465 3.212 1.00 53.23 C ATOM 497 O SER A 33 -9.357 -0.926 2.128 1.00 72.33 O ATOM 498 CB SER A 33 -7.831 1.633 2.442 1.00 11.22 C ATOM 499 OG SER A 33 -6.528 1.146 2.720 1.00 51.24 O ATOM 0 H SER A 33 -7.602 0.987 5.106 1.00 12.02 H new ATOM 0 HA SER A 33 -9.837 1.506 3.222 1.00 3.34 H new ATOM 0 HB2 SER A 33 -8.108 1.373 1.420 1.00 11.22 H new ATOM 0 HB3 SER A 33 -7.836 2.721 2.506 1.00 11.22 H new ATOM 0 HG SER A 33 -6.114 1.698 3.416 1.00 51.24 H new ATOM 505 N SER A 34 -8.701 -1.239 4.263 1.00 30.41 N ATOM 506 CA SER A 34 -8.739 -2.708 4.190 1.00 30.10 C ATOM 507 C SER A 34 -10.175 -3.245 4.150 1.00 33.02 C ATOM 508 O SER A 34 -11.028 -2.833 4.940 1.00 73.24 O ATOM 509 CB SER A 34 -8.001 -3.327 5.388 1.00 72.14 C ATOM 510 OG SER A 34 -6.627 -2.959 5.409 1.00 74.03 O ATOM 0 H SER A 34 -8.437 -0.874 5.178 1.00 30.41 H new ATOM 0 HA SER A 34 -8.242 -2.992 3.262 1.00 30.10 H new ATOM 0 HB2 SER A 34 -8.478 -3.006 6.314 1.00 72.14 H new ATOM 0 HB3 SER A 34 -8.086 -4.413 5.346 1.00 72.14 H new ATOM 0 HG SER A 34 -6.542 -2.001 5.219 1.00 74.03 H new ATOM 516 N ASP A 35 -10.427 -4.176 3.231 1.00 24.54 N ATOM 517 CA ASP A 35 -11.737 -4.823 3.095 1.00 5.40 C ATOM 518 C ASP A 35 -11.929 -5.925 4.156 1.00 74.14 C ATOM 519 O ASP A 35 -11.095 -6.090 5.047 1.00 41.22 O ATOM 520 CB ASP A 35 -11.874 -5.402 1.680 1.00 75.43 C ATOM 521 CG ASP A 35 -11.903 -4.315 0.615 1.00 12.35 C ATOM 522 OD1 ASP A 35 -12.838 -3.484 0.636 1.00 3.41 O ATOM 523 OD2 ASP A 35 -10.981 -4.265 -0.223 1.00 30.44 O ATOM 0 H ASP A 35 -9.733 -4.504 2.560 1.00 24.54 H new ATOM 0 HA ASP A 35 -12.515 -4.077 3.257 1.00 5.40 H new ATOM 0 HB2 ASP A 35 -11.042 -6.078 1.484 1.00 75.43 H new ATOM 0 HB3 ASP A 35 -12.787 -5.994 1.618 1.00 75.43 H new ATOM 528 N ASP A 36 -13.020 -6.685 4.041 1.00 14.53 N ATOM 529 CA ASP A 36 -13.395 -7.683 5.056 1.00 10.32 C ATOM 530 C ASP A 36 -12.277 -8.710 5.344 1.00 33.33 C ATOM 531 O ASP A 36 -12.096 -9.133 6.487 1.00 12.53 O ATOM 532 CB ASP A 36 -14.676 -8.414 4.630 1.00 1.32 C ATOM 533 CG ASP A 36 -15.126 -9.438 5.657 1.00 65.32 C ATOM 534 OD1 ASP A 36 -15.460 -9.038 6.792 1.00 24.30 O ATOM 535 OD2 ASP A 36 -15.132 -10.645 5.340 1.00 14.51 O ATOM 0 H ASP A 36 -13.665 -6.631 3.253 1.00 14.53 H new ATOM 0 HA ASP A 36 -13.566 -7.134 5.982 1.00 10.32 H new ATOM 0 HB2 ASP A 36 -15.472 -7.686 4.474 1.00 1.32 H new ATOM 0 HB3 ASP A 36 -14.507 -8.911 3.675 1.00 1.32 H new ATOM 540 N ALA A 37 -11.538 -9.116 4.316 1.00 74.34 N ATOM 541 CA ALA A 37 -10.472 -10.116 4.488 1.00 44.43 C ATOM 542 C ALA A 37 -9.198 -9.515 5.115 1.00 2.34 C ATOM 543 O ALA A 37 -8.205 -10.217 5.317 1.00 62.44 O ATOM 544 CB ALA A 37 -10.148 -10.776 3.153 1.00 54.44 C ATOM 0 H ALA A 37 -11.650 -8.776 3.361 1.00 74.34 H new ATOM 0 HA ALA A 37 -10.844 -10.869 5.182 1.00 44.43 H new ATOM 0 HB1 ALA A 37 -9.358 -11.514 3.294 1.00 54.44 H new ATOM 0 HB2 ALA A 37 -11.039 -11.269 2.765 1.00 54.44 H new ATOM 0 HB3 ALA A 37 -9.815 -10.018 2.444 1.00 54.44 H new ATOM 550 N GLY A 38 -9.232 -8.216 5.423 1.00 24.33 N ATOM 551 CA GLY A 38 -8.080 -7.548 6.033 1.00 22.54 C ATOM 552 C GLY A 38 -7.084 -7.009 5.009 1.00 34.22 C ATOM 553 O GLY A 38 -6.078 -6.398 5.375 1.00 63.30 O ATOM 0 H GLY A 38 -10.037 -7.611 5.262 1.00 24.33 H new ATOM 0 HA2 GLY A 38 -8.433 -6.725 6.655 1.00 22.54 H new ATOM 0 HA3 GLY A 38 -7.569 -8.249 6.693 1.00 22.54 H new ATOM 557 N TRP A 39 -7.364 -7.231 3.728 1.00 32.33 N ATOM 558 CA TRP A 39 -6.495 -6.762 2.643 1.00 72.44 C ATOM 559 C TRP A 39 -7.001 -5.436 2.050 1.00 22.42 C ATOM 560 O TRP A 39 -8.204 -5.239 1.883 1.00 61.21 O ATOM 561 CB TRP A 39 -6.415 -7.823 1.537 1.00 21.43 C ATOM 562 CG TRP A 39 -5.784 -9.114 1.977 1.00 10.24 C ATOM 563 CD1 TRP A 39 -6.408 -10.180 2.560 1.00 33.13 C ATOM 564 CD2 TRP A 39 -4.403 -9.476 1.858 1.00 4.30 C ATOM 565 NE1 TRP A 39 -5.499 -11.179 2.814 1.00 52.14 N ATOM 566 CE2 TRP A 39 -4.262 -10.771 2.391 1.00 71.01 C ATOM 567 CE3 TRP A 39 -3.272 -8.828 1.348 1.00 51.41 C ATOM 568 CZ2 TRP A 39 -3.035 -11.427 2.432 1.00 40.33 C ATOM 569 CZ3 TRP A 39 -2.057 -9.481 1.392 1.00 31.30 C ATOM 570 CH2 TRP A 39 -1.946 -10.768 1.928 1.00 34.23 C ATOM 0 H TRP A 39 -8.191 -7.736 3.410 1.00 32.33 H new ATOM 0 HA TRP A 39 -5.503 -6.592 3.061 1.00 72.44 H new ATOM 0 HB2 TRP A 39 -7.421 -8.028 1.170 1.00 21.43 H new ATOM 0 HB3 TRP A 39 -5.846 -7.419 0.700 1.00 21.43 H new ATOM 0 HD1 TRP A 39 -7.462 -10.230 2.788 1.00 33.13 H new ATOM 0 HE1 TRP A 39 -5.711 -12.078 3.247 1.00 52.14 H new ATOM 0 HE3 TRP A 39 -3.349 -7.836 0.928 1.00 51.41 H new ATOM 0 HZ2 TRP A 39 -2.945 -12.420 2.847 1.00 40.33 H new ATOM 0 HZ3 TRP A 39 -1.176 -8.989 1.006 1.00 31.30 H new ATOM 0 HH2 TRP A 39 -0.981 -11.252 1.945 1.00 34.23 H new ATOM 581 N ALA A 40 -6.078 -4.533 1.739 1.00 51.04 N ATOM 582 CA ALA A 40 -6.418 -3.245 1.121 1.00 52.10 C ATOM 583 C ALA A 40 -5.828 -3.126 -0.292 1.00 0.40 C ATOM 584 O ALA A 40 -4.625 -3.289 -0.488 1.00 24.52 O ATOM 585 CB ALA A 40 -5.918 -2.098 1.990 1.00 31.13 C ATOM 0 H ALA A 40 -5.080 -4.665 1.904 1.00 51.04 H new ATOM 0 HA ALA A 40 -7.504 -3.191 1.039 1.00 52.10 H new ATOM 0 HB1 ALA A 40 -6.176 -1.148 1.522 1.00 31.13 H new ATOM 0 HB2 ALA A 40 -6.385 -2.156 2.973 1.00 31.13 H new ATOM 0 HB3 ALA A 40 -4.836 -2.168 2.097 1.00 31.13 H new ATOM 591 N ASN A 41 -6.675 -2.834 -1.271 1.00 13.05 N ATOM 592 CA ASN A 41 -6.226 -2.683 -2.660 1.00 23.43 C ATOM 593 C ASN A 41 -5.262 -1.486 -2.804 1.00 34.00 C ATOM 594 O ASN A 41 -5.533 -0.400 -2.290 1.00 12.12 O ATOM 595 CB ASN A 41 -7.451 -2.518 -3.574 1.00 14.54 C ATOM 596 CG ASN A 41 -7.109 -2.481 -5.058 1.00 2.33 C ATOM 597 OD1 ASN A 41 -6.072 -1.968 -5.467 1.00 31.14 O ATOM 598 ND2 ASN A 41 -7.981 -3.026 -5.883 1.00 74.51 N ATOM 0 H ASN A 41 -7.676 -2.696 -1.135 1.00 13.05 H new ATOM 0 HA ASN A 41 -5.678 -3.577 -2.957 1.00 23.43 H new ATOM 0 HB2 ASN A 41 -8.143 -3.340 -3.390 1.00 14.54 H new ATOM 0 HB3 ASN A 41 -7.971 -1.598 -3.307 1.00 14.54 H new ATOM 0 HD21 ASN A 41 -7.801 -3.028 -6.887 1.00 74.51 H new ATOM 0 HD22 ASN A 41 -8.836 -3.446 -5.517 1.00 74.51 H new ATOM 605 N LEU A 42 -4.147 -1.702 -3.515 1.00 4.34 N ATOM 606 CA LEU A 42 -3.110 -0.674 -3.724 1.00 4.23 C ATOM 607 C LEU A 42 -3.708 0.704 -4.075 1.00 52.00 C ATOM 608 O LEU A 42 -3.267 1.735 -3.559 1.00 1.20 O ATOM 609 CB LEU A 42 -2.152 -1.125 -4.841 1.00 72.24 C ATOM 610 CG LEU A 42 -1.026 -0.140 -5.200 1.00 12.12 C ATOM 611 CD1 LEU A 42 -0.103 0.093 -4.007 1.00 41.41 C ATOM 612 CD2 LEU A 42 -0.240 -0.645 -6.410 1.00 22.02 C ATOM 0 H LEU A 42 -3.935 -2.594 -3.963 1.00 4.34 H new ATOM 0 HA LEU A 42 -2.568 -0.562 -2.785 1.00 4.23 H new ATOM 0 HB2 LEU A 42 -1.700 -2.071 -4.545 1.00 72.24 H new ATOM 0 HB3 LEU A 42 -2.738 -1.319 -5.739 1.00 72.24 H new ATOM 0 HG LEU A 42 -1.479 0.817 -5.461 1.00 12.12 H new ATOM 0 HD11 LEU A 42 0.684 0.793 -4.287 1.00 41.41 H new ATOM 0 HD12 LEU A 42 -0.677 0.506 -3.178 1.00 41.41 H new ATOM 0 HD13 LEU A 42 0.344 -0.853 -3.703 1.00 41.41 H new ATOM 0 HD21 LEU A 42 0.553 0.064 -6.651 1.00 22.02 H new ATOM 0 HD22 LEU A 42 0.199 -1.616 -6.179 1.00 22.02 H new ATOM 0 HD23 LEU A 42 -0.910 -0.743 -7.264 1.00 22.02 H new ATOM 624 N GLY A 43 -4.718 0.709 -4.943 1.00 11.22 N ATOM 625 CA GLY A 43 -5.371 1.956 -5.338 1.00 23.23 C ATOM 626 C GLY A 43 -6.030 2.688 -4.166 1.00 34.53 C ATOM 627 O GLY A 43 -5.935 3.912 -4.055 1.00 32.15 O ATOM 0 H GLY A 43 -5.100 -0.128 -5.383 1.00 11.22 H new ATOM 0 HA2 GLY A 43 -4.635 2.613 -5.801 1.00 23.23 H new ATOM 0 HA3 GLY A 43 -6.126 1.740 -6.094 1.00 23.23 H new ATOM 631 N ASN A 44 -6.692 1.933 -3.289 1.00 32.33 N ATOM 632 CA ASN A 44 -7.344 2.505 -2.102 1.00 50.02 C ATOM 633 C ASN A 44 -6.306 2.955 -1.062 1.00 74.00 C ATOM 634 O ASN A 44 -6.435 4.023 -0.454 1.00 53.32 O ATOM 635 CB ASN A 44 -8.299 1.479 -1.475 1.00 65.20 C ATOM 636 CG ASN A 44 -9.419 1.077 -2.419 1.00 14.40 C ATOM 637 OD1 ASN A 44 -9.850 1.859 -3.258 1.00 55.15 O ATOM 638 ND2 ASN A 44 -9.907 -0.139 -2.286 1.00 44.00 N ATOM 0 H ASN A 44 -6.793 0.922 -3.375 1.00 32.33 H new ATOM 0 HA ASN A 44 -7.912 3.379 -2.420 1.00 50.02 H new ATOM 0 HB2 ASN A 44 -7.736 0.592 -1.186 1.00 65.20 H new ATOM 0 HB3 ASN A 44 -8.728 1.896 -0.564 1.00 65.20 H new ATOM 0 HD21 ASN A 44 -10.665 -0.453 -2.891 1.00 44.00 H new ATOM 0 HD22 ASN A 44 -9.526 -0.767 -1.578 1.00 44.00 H new ATOM 645 N PHE A 45 -5.278 2.131 -0.869 1.00 24.15 N ATOM 646 CA PHE A 45 -4.180 2.452 0.050 1.00 62.21 C ATOM 647 C PHE A 45 -3.491 3.770 -0.342 1.00 72.40 C ATOM 648 O PHE A 45 -3.414 4.701 0.459 1.00 24.22 O ATOM 649 CB PHE A 45 -3.165 1.299 0.071 1.00 23.35 C ATOM 650 CG PHE A 45 -1.937 1.567 0.910 1.00 72.14 C ATOM 651 CD1 PHE A 45 -2.050 2.024 2.216 1.00 41.43 C ATOM 652 CD2 PHE A 45 -0.667 1.351 0.392 1.00 1.54 C ATOM 653 CE1 PHE A 45 -0.925 2.258 2.984 1.00 63.14 C ATOM 654 CE2 PHE A 45 0.459 1.585 1.157 1.00 40.34 C ATOM 655 CZ PHE A 45 0.330 2.039 2.452 1.00 4.14 C ATOM 0 H PHE A 45 -5.180 1.231 -1.338 1.00 24.15 H new ATOM 0 HA PHE A 45 -4.595 2.581 1.049 1.00 62.21 H new ATOM 0 HB2 PHE A 45 -3.659 0.403 0.446 1.00 23.35 H new ATOM 0 HB3 PHE A 45 -2.853 1.086 -0.952 1.00 23.35 H new ATOM 0 HD1 PHE A 45 -3.029 2.199 2.637 1.00 41.43 H new ATOM 0 HD2 PHE A 45 -0.558 0.995 -0.622 1.00 1.54 H new ATOM 0 HE1 PHE A 45 -1.028 2.612 3.999 1.00 63.14 H new ATOM 0 HE2 PHE A 45 1.440 1.412 0.740 1.00 40.34 H new ATOM 0 HZ PHE A 45 1.210 2.223 3.050 1.00 4.14 H new ATOM 665 N GLY A 46 -3.010 3.845 -1.582 1.00 71.55 N ATOM 666 CA GLY A 46 -2.362 5.063 -2.066 1.00 34.01 C ATOM 667 C GLY A 46 -3.277 6.285 -2.037 1.00 73.05 C ATOM 668 O GLY A 46 -2.813 7.421 -1.916 1.00 52.52 O ATOM 0 H GLY A 46 -3.055 3.087 -2.263 1.00 71.55 H new ATOM 0 HA2 GLY A 46 -1.480 5.263 -1.458 1.00 34.01 H new ATOM 0 HA3 GLY A 46 -2.015 4.901 -3.087 1.00 34.01 H new ATOM 672 N ASN A 47 -4.582 6.047 -2.152 1.00 13.13 N ATOM 673 CA ASN A 47 -5.580 7.117 -2.088 1.00 64.44 C ATOM 674 C ASN A 47 -5.607 7.771 -0.693 1.00 14.35 C ATOM 675 O ASN A 47 -5.298 8.956 -0.538 1.00 3.14 O ATOM 676 CB ASN A 47 -6.968 6.548 -2.425 1.00 33.03 C ATOM 677 CG ASN A 47 -8.041 7.617 -2.575 1.00 24.35 C ATOM 678 OD1 ASN A 47 -7.946 8.706 -2.019 1.00 20.24 O ATOM 679 ND2 ASN A 47 -9.089 7.297 -3.307 1.00 30.51 N ATOM 0 H ASN A 47 -4.977 5.117 -2.291 1.00 13.13 H new ATOM 0 HA ASN A 47 -5.310 7.883 -2.815 1.00 64.44 H new ATOM 0 HB2 ASN A 47 -6.903 5.977 -3.351 1.00 33.03 H new ATOM 0 HB3 ASN A 47 -7.267 5.852 -1.641 1.00 33.03 H new ATOM 0 HD21 ASN A 47 -9.852 7.964 -3.424 1.00 30.51 H new ATOM 0 HD22 ASN A 47 -9.137 6.383 -3.756 1.00 30.51 H new ATOM 686 N TYR A 48 -5.967 6.985 0.322 1.00 45.50 N ATOM 687 CA TYR A 48 -6.135 7.507 1.683 1.00 45.13 C ATOM 688 C TYR A 48 -4.783 7.836 2.345 1.00 13.31 C ATOM 689 O TYR A 48 -4.701 8.732 3.189 1.00 32.45 O ATOM 690 CB TYR A 48 -6.925 6.506 2.540 1.00 32.54 C ATOM 691 CG TYR A 48 -7.463 7.096 3.835 1.00 63.32 C ATOM 692 CD1 TYR A 48 -8.585 7.917 3.828 1.00 35.54 C ATOM 693 CD2 TYR A 48 -6.849 6.839 5.057 1.00 11.35 C ATOM 694 CE1 TYR A 48 -9.081 8.463 4.997 1.00 33.43 C ATOM 695 CE2 TYR A 48 -7.339 7.383 6.230 1.00 15.23 C ATOM 696 CZ TYR A 48 -8.454 8.195 6.197 1.00 62.44 C ATOM 697 OH TYR A 48 -8.943 8.741 7.364 1.00 50.50 O ATOM 0 H TYR A 48 -6.148 5.985 0.230 1.00 45.50 H new ATOM 0 HA TYR A 48 -6.696 8.439 1.613 1.00 45.13 H new ATOM 0 HB2 TYR A 48 -7.759 6.119 1.954 1.00 32.54 H new ATOM 0 HB3 TYR A 48 -6.282 5.659 2.777 1.00 32.54 H new ATOM 0 HD1 TYR A 48 -9.078 8.132 2.892 1.00 35.54 H new ATOM 0 HD2 TYR A 48 -5.976 6.204 5.090 1.00 11.35 H new ATOM 0 HE1 TYR A 48 -9.955 9.097 4.971 1.00 33.43 H new ATOM 0 HE2 TYR A 48 -6.850 7.173 7.170 1.00 15.23 H new ATOM 0 HH TYR A 48 -9.068 8.032 8.029 1.00 50.50 H new ATOM 707 N LEU A 49 -3.729 7.118 1.956 1.00 42.52 N ATOM 708 CA LEU A 49 -2.387 7.353 2.506 1.00 14.22 C ATOM 709 C LEU A 49 -1.927 8.798 2.282 1.00 30.02 C ATOM 710 O LEU A 49 -1.520 9.484 3.222 1.00 63.12 O ATOM 711 CB LEU A 49 -1.369 6.384 1.886 1.00 1.12 C ATOM 712 CG LEU A 49 0.088 6.573 2.355 1.00 63.33 C ATOM 713 CD1 LEU A 49 0.202 6.427 3.871 1.00 32.11 C ATOM 714 CD2 LEU A 49 1.020 5.590 1.647 1.00 74.12 C ATOM 0 H LEU A 49 -3.775 6.370 1.264 1.00 42.52 H new ATOM 0 HA LEU A 49 -2.444 7.176 3.580 1.00 14.22 H new ATOM 0 HB2 LEU A 49 -1.678 5.364 2.114 1.00 1.12 H new ATOM 0 HB3 LEU A 49 -1.402 6.493 0.802 1.00 1.12 H new ATOM 0 HG LEU A 49 0.394 7.585 2.090 1.00 63.33 H new ATOM 0 HD11 LEU A 49 1.240 6.565 4.173 1.00 32.11 H new ATOM 0 HD12 LEU A 49 -0.420 7.179 4.357 1.00 32.11 H new ATOM 0 HD13 LEU A 49 -0.133 5.433 4.167 1.00 32.11 H new ATOM 0 HD21 LEU A 49 2.042 5.743 1.994 1.00 74.12 H new ATOM 0 HD22 LEU A 49 0.710 4.569 1.870 1.00 74.12 H new ATOM 0 HD23 LEU A 49 0.974 5.756 0.571 1.00 74.12 H new ATOM 726 N ASN A 50 -2.009 9.263 1.039 1.00 41.14 N ATOM 727 CA ASN A 50 -1.558 10.615 0.697 1.00 75.32 C ATOM 728 C ASN A 50 -2.415 11.694 1.383 1.00 72.14 C ATOM 729 O ASN A 50 -1.984 12.839 1.536 1.00 32.32 O ATOM 730 CB ASN A 50 -1.553 10.799 -0.824 1.00 4.32 C ATOM 731 CG ASN A 50 -1.028 12.160 -1.238 1.00 4.15 C ATOM 732 OD1 ASN A 50 -1.792 13.074 -1.534 1.00 32.13 O ATOM 733 ND2 ASN A 50 0.282 12.308 -1.235 1.00 54.14 N ATOM 0 H ASN A 50 -2.381 8.730 0.253 1.00 41.14 H new ATOM 0 HA ASN A 50 -0.540 10.735 1.068 1.00 75.32 H new ATOM 0 HB2 ASN A 50 -0.940 10.022 -1.280 1.00 4.32 H new ATOM 0 HB3 ASN A 50 -2.566 10.671 -1.206 1.00 4.32 H new ATOM 0 HD21 ASN A 50 0.694 13.207 -1.485 1.00 54.14 H new ATOM 0 HD22 ASN A 50 0.883 11.524 -0.983 1.00 54.14 H new ATOM 740 N LYS A 51 -3.628 11.330 1.797 1.00 43.10 N ATOM 741 CA LYS A 51 -4.474 12.238 2.577 1.00 3.22 C ATOM 742 C LYS A 51 -3.856 12.500 3.958 1.00 71.11 C ATOM 743 O LYS A 51 -3.791 13.641 4.421 1.00 51.01 O ATOM 744 CB LYS A 51 -5.885 11.659 2.748 1.00 55.35 C ATOM 745 CG LYS A 51 -6.627 11.406 1.433 1.00 75.14 C ATOM 746 CD LYS A 51 -8.050 10.908 1.680 1.00 34.24 C ATOM 747 CE LYS A 51 -8.901 11.955 2.389 1.00 52.34 C ATOM 748 NZ LYS A 51 -10.235 11.421 2.773 1.00 1.45 N ATOM 0 H LYS A 51 -4.047 10.419 1.608 1.00 43.10 H new ATOM 0 HA LYS A 51 -4.543 13.179 2.032 1.00 3.22 H new ATOM 0 HB2 LYS A 51 -5.816 10.721 3.298 1.00 55.35 H new ATOM 0 HB3 LYS A 51 -6.474 12.344 3.358 1.00 55.35 H new ATOM 0 HG2 LYS A 51 -6.659 12.326 0.849 1.00 75.14 H new ATOM 0 HG3 LYS A 51 -6.081 10.671 0.841 1.00 75.14 H new ATOM 0 HD2 LYS A 51 -8.514 10.646 0.729 1.00 34.24 H new ATOM 0 HD3 LYS A 51 -8.018 9.999 2.280 1.00 34.24 H new ATOM 0 HE2 LYS A 51 -8.379 12.303 3.281 1.00 52.34 H new ATOM 0 HE3 LYS A 51 -9.030 12.819 1.737 1.00 52.34 H new ATOM 0 HZ1 LYS A 51 -10.782 12.165 3.252 1.00 1.45 H new ATOM 0 HZ2 LYS A 51 -10.744 11.112 1.920 1.00 1.45 H new ATOM 0 HZ3 LYS A 51 -10.113 10.612 3.415 1.00 1.45 H new ATOM 762 N LEU A 52 -3.398 11.432 4.610 1.00 41.24 N ATOM 763 CA LEU A 52 -2.784 11.539 5.938 1.00 11.21 C ATOM 764 C LEU A 52 -1.349 12.086 5.852 1.00 1.03 C ATOM 765 O LEU A 52 -0.957 12.953 6.634 1.00 2.01 O ATOM 766 CB LEU A 52 -2.781 10.169 6.637 1.00 44.32 C ATOM 767 CG LEU A 52 -4.160 9.503 6.798 1.00 31.54 C ATOM 768 CD1 LEU A 52 -4.044 8.208 7.599 1.00 35.24 C ATOM 769 CD2 LEU A 52 -5.156 10.459 7.450 1.00 15.52 C ATOM 0 H LEU A 52 -3.439 10.482 4.242 1.00 41.24 H new ATOM 0 HA LEU A 52 -3.380 12.240 6.522 1.00 11.21 H new ATOM 0 HB2 LEU A 52 -2.135 9.495 6.074 1.00 44.32 H new ATOM 0 HB3 LEU A 52 -2.336 10.286 7.625 1.00 44.32 H new ATOM 0 HG LEU A 52 -4.534 9.256 5.805 1.00 31.54 H new ATOM 0 HD11 LEU A 52 -5.030 7.754 7.701 1.00 35.24 H new ATOM 0 HD12 LEU A 52 -3.378 7.518 7.081 1.00 35.24 H new ATOM 0 HD13 LEU A 52 -3.641 8.427 8.588 1.00 35.24 H new ATOM 0 HD21 LEU A 52 -6.122 9.964 7.552 1.00 15.52 H new ATOM 0 HD22 LEU A 52 -4.791 10.749 8.435 1.00 15.52 H new ATOM 0 HD23 LEU A 52 -5.268 11.348 6.829 1.00 15.52 H new ATOM 781 N GLN A 53 -0.569 11.571 4.901 1.00 70.41 N ATOM 782 CA GLN A 53 0.829 11.997 4.720 1.00 61.32 C ATOM 783 C GLN A 53 1.100 12.501 3.291 1.00 23.10 C ATOM 784 O GLN A 53 1.504 11.732 2.418 1.00 51.32 O ATOM 785 CB GLN A 53 1.792 10.845 5.053 1.00 13.40 C ATOM 786 CG GLN A 53 1.823 10.463 6.529 1.00 25.13 C ATOM 787 CD GLN A 53 2.352 11.580 7.417 1.00 70.31 C ATOM 788 OE1 GLN A 53 3.548 11.683 7.661 1.00 55.24 O ATOM 789 NE2 GLN A 53 1.469 12.426 7.909 1.00 14.24 N ATOM 0 H GLN A 53 -0.877 10.857 4.241 1.00 70.41 H new ATOM 0 HA GLN A 53 1.001 12.826 5.407 1.00 61.32 H new ATOM 0 HB2 GLN A 53 1.509 9.969 4.469 1.00 13.40 H new ATOM 0 HB3 GLN A 53 2.798 11.125 4.741 1.00 13.40 H new ATOM 0 HG2 GLN A 53 0.817 10.195 6.851 1.00 25.13 H new ATOM 0 HG3 GLN A 53 2.446 9.578 6.657 1.00 25.13 H new ATOM 0 HE21 GLN A 53 0.479 12.316 7.689 1.00 14.24 H new ATOM 0 HE22 GLN A 53 1.776 13.191 8.510 1.00 14.24 H new ATOM 798 N PRO A 54 0.877 13.805 3.030 1.00 24.20 N ATOM 799 CA PRO A 54 1.200 14.420 1.729 1.00 33.51 C ATOM 800 C PRO A 54 2.717 14.603 1.536 1.00 72.21 C ATOM 801 O PRO A 54 3.203 14.790 0.419 1.00 35.32 O ATOM 802 CB PRO A 54 0.488 15.790 1.778 1.00 75.35 C ATOM 803 CG PRO A 54 -0.368 15.763 3.009 1.00 14.22 C ATOM 804 CD PRO A 54 0.272 14.778 3.951 1.00 30.41 C ATOM 0 HA PRO A 54 0.877 13.797 0.895 1.00 33.51 H new ATOM 0 HB2 PRO A 54 1.211 16.605 1.822 1.00 75.35 H new ATOM 0 HB3 PRO A 54 -0.117 15.948 0.885 1.00 75.35 H new ATOM 0 HG2 PRO A 54 -0.427 16.752 3.463 1.00 14.22 H new ATOM 0 HG3 PRO A 54 -1.387 15.462 2.767 1.00 14.22 H new ATOM 0 HD2 PRO A 54 1.018 15.252 4.588 1.00 30.41 H new ATOM 0 HD3 PRO A 54 -0.460 14.312 4.610 1.00 30.41 H new ATOM 812 N ASP A 55 3.454 14.548 2.643 1.00 73.54 N ATOM 813 CA ASP A 55 4.911 14.714 2.636 1.00 64.02 C ATOM 814 C ASP A 55 5.626 13.417 2.206 1.00 12.32 C ATOM 815 O ASP A 55 6.775 13.449 1.759 1.00 64.21 O ATOM 816 CB ASP A 55 5.372 15.140 4.040 1.00 55.34 C ATOM 817 CG ASP A 55 6.868 15.396 4.126 1.00 60.40 C ATOM 818 OD1 ASP A 55 7.335 16.403 3.553 1.00 14.34 O ATOM 819 OD2 ASP A 55 7.580 14.605 4.779 1.00 23.24 O ATOM 0 H ASP A 55 3.061 14.387 3.571 1.00 73.54 H new ATOM 0 HA ASP A 55 5.173 15.484 1.910 1.00 64.02 H new ATOM 0 HB2 ASP A 55 4.838 16.044 4.332 1.00 55.34 H new ATOM 0 HB3 ASP A 55 5.101 14.364 4.756 1.00 55.34 H new ATOM 824 N PHE A 56 4.927 12.285 2.304 1.00 63.15 N ATOM 825 CA PHE A 56 5.549 10.973 2.083 1.00 71.53 C ATOM 826 C PHE A 56 5.727 10.672 0.586 1.00 41.35 C ATOM 827 O PHE A 56 4.768 10.355 -0.119 1.00 21.15 O ATOM 828 CB PHE A 56 4.719 9.870 2.759 1.00 22.32 C ATOM 829 CG PHE A 56 5.346 8.496 2.695 1.00 31.12 C ATOM 830 CD1 PHE A 56 6.488 8.208 3.432 1.00 1.32 C ATOM 831 CD2 PHE A 56 4.789 7.492 1.913 1.00 62.55 C ATOM 832 CE1 PHE A 56 7.062 6.951 3.385 1.00 33.22 C ATOM 833 CE2 PHE A 56 5.363 6.233 1.863 1.00 62.14 C ATOM 834 CZ PHE A 56 6.498 5.962 2.601 1.00 11.43 C ATOM 0 H PHE A 56 3.934 12.247 2.534 1.00 63.15 H new ATOM 0 HA PHE A 56 6.542 10.997 2.532 1.00 71.53 H new ATOM 0 HB2 PHE A 56 4.563 10.137 3.804 1.00 22.32 H new ATOM 0 HB3 PHE A 56 3.736 9.831 2.289 1.00 22.32 H new ATOM 0 HD1 PHE A 56 6.933 8.975 4.049 1.00 1.32 H new ATOM 0 HD2 PHE A 56 3.898 7.696 1.338 1.00 62.55 H new ATOM 0 HE1 PHE A 56 7.951 6.742 3.961 1.00 33.22 H new ATOM 0 HE2 PHE A 56 4.923 5.463 1.247 1.00 62.14 H new ATOM 0 HZ PHE A 56 6.944 4.979 2.566 1.00 11.43 H new ATOM 844 N ASP A 57 6.962 10.783 0.114 1.00 73.51 N ATOM 845 CA ASP A 57 7.294 10.533 -1.291 1.00 61.21 C ATOM 846 C ASP A 57 8.239 9.326 -1.444 1.00 53.11 C ATOM 847 O ASP A 57 9.157 9.133 -0.646 1.00 24.31 O ATOM 848 CB ASP A 57 7.921 11.794 -1.888 1.00 63.34 C ATOM 849 CG ASP A 57 8.531 11.555 -3.256 1.00 10.44 C ATOM 850 OD1 ASP A 57 7.777 11.346 -4.230 1.00 22.22 O ATOM 851 OD2 ASP A 57 9.769 11.564 -3.358 1.00 50.01 O ATOM 0 H ASP A 57 7.762 11.048 0.688 1.00 73.51 H new ATOM 0 HA ASP A 57 6.378 10.290 -1.830 1.00 61.21 H new ATOM 0 HB2 ASP A 57 7.161 12.571 -1.965 1.00 63.34 H new ATOM 0 HB3 ASP A 57 8.691 12.167 -1.212 1.00 63.34 H new ATOM 856 N SER A 58 8.008 8.524 -2.483 1.00 64.34 N ATOM 857 CA SER A 58 8.810 7.314 -2.732 1.00 12.25 C ATOM 858 C SER A 58 10.160 7.645 -3.383 1.00 40.25 C ATOM 859 O SER A 58 11.146 6.934 -3.179 1.00 50.24 O ATOM 860 CB SER A 58 8.037 6.335 -3.629 1.00 65.21 C ATOM 861 OG SER A 58 6.794 5.973 -3.047 1.00 20.14 O ATOM 0 H SER A 58 7.272 8.686 -3.170 1.00 64.34 H new ATOM 0 HA SER A 58 9.004 6.852 -1.764 1.00 12.25 H new ATOM 0 HB2 SER A 58 7.865 6.790 -4.604 1.00 65.21 H new ATOM 0 HB3 SER A 58 8.637 5.440 -3.796 1.00 65.21 H new ATOM 0 HG SER A 58 6.078 6.089 -3.706 1.00 20.14 H new ATOM 867 N ARG A 59 10.202 8.729 -4.156 1.00 20.23 N ATOM 868 CA ARG A 59 11.422 9.128 -4.871 1.00 74.25 C ATOM 869 C ARG A 59 12.543 9.490 -3.884 1.00 53.34 C ATOM 870 O ARG A 59 13.723 9.295 -4.170 1.00 0.25 O ATOM 871 CB ARG A 59 11.122 10.309 -5.808 1.00 52.53 C ATOM 872 CG ARG A 59 9.972 10.040 -6.779 1.00 30.14 C ATOM 873 CD ARG A 59 10.350 9.021 -7.852 1.00 61.13 C ATOM 874 NE ARG A 59 11.156 9.621 -8.918 1.00 64.20 N ATOM 875 CZ ARG A 59 12.272 9.120 -9.378 1.00 3.30 C ATOM 876 NH1 ARG A 59 12.788 8.056 -8.851 1.00 64.15 N ATOM 877 NH2 ARG A 59 12.880 9.697 -10.361 1.00 34.13 N ATOM 0 H ARG A 59 9.407 9.350 -4.306 1.00 20.23 H new ATOM 0 HA ARG A 59 11.763 8.284 -5.470 1.00 74.25 H new ATOM 0 HB2 ARG A 59 10.883 11.187 -5.208 1.00 52.53 H new ATOM 0 HB3 ARG A 59 12.020 10.548 -6.378 1.00 52.53 H new ATOM 0 HG2 ARG A 59 9.107 9.677 -6.224 1.00 30.14 H new ATOM 0 HG3 ARG A 59 9.675 10.974 -7.256 1.00 30.14 H new ATOM 0 HD2 ARG A 59 10.905 8.202 -7.395 1.00 61.13 H new ATOM 0 HD3 ARG A 59 9.444 8.592 -8.280 1.00 61.13 H new ATOM 0 HE ARG A 59 10.822 10.492 -9.331 1.00 64.20 H new ATOM 0 HH11 ARG A 59 12.323 7.598 -8.067 1.00 64.15 H new ATOM 0 HH12 ARG A 59 13.660 7.675 -9.220 1.00 64.15 H new ATOM 0 HH21 ARG A 59 12.489 10.542 -10.777 1.00 34.13 H new ATOM 0 HH22 ARG A 59 13.751 9.307 -10.721 1.00 34.13 H new ATOM 891 N LEU A 60 12.152 10.006 -2.718 1.00 44.52 N ATOM 892 CA LEU A 60 13.092 10.286 -1.620 1.00 14.21 C ATOM 893 C LEU A 60 13.969 9.064 -1.288 1.00 2.23 C ATOM 894 O LEU A 60 15.141 9.202 -0.940 1.00 25.24 O ATOM 895 CB LEU A 60 12.316 10.713 -0.360 1.00 41.03 C ATOM 896 CG LEU A 60 11.470 11.989 -0.496 1.00 72.04 C ATOM 897 CD1 LEU A 60 10.673 12.250 0.783 1.00 2.12 C ATOM 898 CD2 LEU A 60 12.351 13.189 -0.840 1.00 63.33 C ATOM 0 H LEU A 60 11.183 10.242 -2.504 1.00 44.52 H new ATOM 0 HA LEU A 60 13.747 11.093 -1.949 1.00 14.21 H new ATOM 0 HB2 LEU A 60 11.660 9.894 -0.066 1.00 41.03 H new ATOM 0 HB3 LEU A 60 13.029 10.857 0.452 1.00 41.03 H new ATOM 0 HG LEU A 60 10.763 11.842 -1.312 1.00 72.04 H new ATOM 0 HD11 LEU A 60 10.082 13.158 0.664 1.00 2.12 H new ATOM 0 HD12 LEU A 60 10.009 11.407 0.976 1.00 2.12 H new ATOM 0 HD13 LEU A 60 11.359 12.371 1.621 1.00 2.12 H new ATOM 0 HD21 LEU A 60 11.731 14.081 -0.931 1.00 63.33 H new ATOM 0 HD22 LEU A 60 13.087 13.338 -0.050 1.00 63.33 H new ATOM 0 HD23 LEU A 60 12.864 13.005 -1.784 1.00 63.33 H new ATOM 910 N TYR A 61 13.388 7.869 -1.406 1.00 12.21 N ATOM 911 CA TYR A 61 14.085 6.622 -1.063 1.00 4.34 C ATOM 912 C TYR A 61 14.674 5.923 -2.303 1.00 71.04 C ATOM 913 O TYR A 61 15.313 4.875 -2.191 1.00 54.21 O ATOM 914 CB TYR A 61 13.119 5.673 -0.343 1.00 33.20 C ATOM 915 CG TYR A 61 12.576 6.225 0.966 1.00 53.53 C ATOM 916 CD1 TYR A 61 11.475 7.077 0.988 1.00 21.53 C ATOM 917 CD2 TYR A 61 13.167 5.890 2.181 1.00 45.24 C ATOM 918 CE1 TYR A 61 10.978 7.573 2.179 1.00 72.32 C ATOM 919 CE2 TYR A 61 12.675 6.385 3.373 1.00 64.42 C ATOM 920 CZ TYR A 61 11.581 7.224 3.368 1.00 45.43 C ATOM 921 OH TYR A 61 11.083 7.709 4.556 1.00 11.00 O ATOM 0 H TYR A 61 12.433 7.735 -1.738 1.00 12.21 H new ATOM 0 HA TYR A 61 14.917 6.880 -0.407 1.00 4.34 H new ATOM 0 HB2 TYR A 61 12.283 5.449 -1.006 1.00 33.20 H new ATOM 0 HB3 TYR A 61 13.630 4.731 -0.145 1.00 33.20 H new ATOM 0 HD1 TYR A 61 11.001 7.355 0.058 1.00 21.53 H new ATOM 0 HD2 TYR A 61 14.024 5.233 2.192 1.00 45.24 H new ATOM 0 HE1 TYR A 61 10.121 8.231 2.178 1.00 72.32 H new ATOM 0 HE2 TYR A 61 13.146 6.115 4.307 1.00 64.42 H new ATOM 0 HH TYR A 61 11.621 7.367 5.300 1.00 11.00 H new ATOM 931 N GLY A 62 14.460 6.505 -3.480 1.00 64.22 N ATOM 932 CA GLY A 62 14.994 5.929 -4.715 1.00 24.23 C ATOM 933 C GLY A 62 13.968 5.130 -5.519 1.00 62.20 C ATOM 934 O GLY A 62 14.245 4.708 -6.644 1.00 51.12 O ATOM 0 H GLY A 62 13.927 7.365 -3.607 1.00 64.22 H new ATOM 0 HA2 GLY A 62 15.385 6.732 -5.340 1.00 24.23 H new ATOM 0 HA3 GLY A 62 15.834 5.279 -4.468 1.00 24.23 H new ATOM 938 N TYR A 63 12.781 4.920 -4.954 1.00 30.22 N ATOM 939 CA TYR A 63 11.723 4.160 -5.637 1.00 41.15 C ATOM 940 C TYR A 63 10.881 5.081 -6.538 1.00 70.02 C ATOM 941 O TYR A 63 10.515 6.186 -6.139 1.00 42.31 O ATOM 942 CB TYR A 63 10.817 3.467 -4.607 1.00 61.42 C ATOM 943 CG TYR A 63 11.555 2.533 -3.658 1.00 21.25 C ATOM 944 CD1 TYR A 63 12.152 3.020 -2.499 1.00 1.00 C ATOM 945 CD2 TYR A 63 11.648 1.166 -3.915 1.00 74.42 C ATOM 946 CE1 TYR A 63 12.818 2.179 -1.626 1.00 65.23 C ATOM 947 CE2 TYR A 63 12.314 0.318 -3.044 1.00 75.30 C ATOM 948 CZ TYR A 63 12.895 0.829 -1.901 1.00 42.04 C ATOM 949 OH TYR A 63 13.553 -0.007 -1.023 1.00 32.53 O ATOM 0 H TYR A 63 12.523 5.262 -4.028 1.00 30.22 H new ATOM 0 HA TYR A 63 12.198 3.404 -6.262 1.00 41.15 H new ATOM 0 HB2 TYR A 63 10.301 4.229 -4.022 1.00 61.42 H new ATOM 0 HB3 TYR A 63 10.052 2.899 -5.136 1.00 61.42 H new ATOM 0 HD1 TYR A 63 12.094 4.075 -2.277 1.00 1.00 H new ATOM 0 HD2 TYR A 63 11.194 0.761 -4.807 1.00 74.42 H new ATOM 0 HE1 TYR A 63 13.276 2.577 -0.733 1.00 65.23 H new ATOM 0 HE2 TYR A 63 12.378 -0.738 -3.259 1.00 75.30 H new ATOM 0 HH TYR A 63 13.518 -0.927 -1.359 1.00 32.53 H new ATOM 959 N LYS A 64 10.575 4.627 -7.754 1.00 71.52 N ATOM 960 CA LYS A 64 9.791 5.438 -8.699 1.00 73.22 C ATOM 961 C LYS A 64 8.345 5.648 -8.218 1.00 3.21 C ATOM 962 O LYS A 64 7.720 6.663 -8.537 1.00 31.30 O ATOM 963 CB LYS A 64 9.794 4.805 -10.097 1.00 33.02 C ATOM 964 CG LYS A 64 11.179 4.735 -10.737 1.00 4.42 C ATOM 965 CD LYS A 64 11.117 4.272 -12.195 1.00 12.52 C ATOM 966 CE LYS A 64 10.345 5.257 -13.073 1.00 20.34 C ATOM 967 NZ LYS A 64 10.243 4.798 -14.483 1.00 53.12 N ATOM 0 H LYS A 64 10.853 3.712 -8.109 1.00 71.52 H new ATOM 0 HA LYS A 64 10.270 6.416 -8.751 1.00 73.22 H new ATOM 0 HB2 LYS A 64 9.383 3.798 -10.031 1.00 33.02 H new ATOM 0 HB3 LYS A 64 9.132 5.377 -10.747 1.00 33.02 H new ATOM 0 HG2 LYS A 64 11.650 5.717 -10.689 1.00 4.42 H new ATOM 0 HG3 LYS A 64 11.807 4.051 -10.166 1.00 4.42 H new ATOM 0 HD2 LYS A 64 12.129 4.156 -12.583 1.00 12.52 H new ATOM 0 HD3 LYS A 64 10.643 3.292 -12.245 1.00 12.52 H new ATOM 0 HE2 LYS A 64 9.344 5.396 -12.665 1.00 20.34 H new ATOM 0 HE3 LYS A 64 10.838 6.229 -13.045 1.00 20.34 H new ATOM 0 HZ1 LYS A 64 9.712 5.498 -15.039 1.00 53.12 H new ATOM 0 HZ2 LYS A 64 11.197 4.691 -14.883 1.00 53.12 H new ATOM 0 HZ3 LYS A 64 9.749 3.883 -14.515 1.00 53.12 H new ATOM 981 N LYS A 65 7.816 4.686 -7.457 1.00 13.13 N ATOM 982 CA LYS A 65 6.455 4.792 -6.916 1.00 72.32 C ATOM 983 C LYS A 65 6.221 3.842 -5.729 1.00 61.41 C ATOM 984 O LYS A 65 7.035 2.961 -5.442 1.00 23.12 O ATOM 985 CB LYS A 65 5.414 4.541 -8.018 1.00 41.30 C ATOM 986 CG LYS A 65 5.557 3.201 -8.733 1.00 45.52 C ATOM 987 CD LYS A 65 4.551 3.065 -9.878 1.00 24.04 C ATOM 988 CE LYS A 65 4.719 4.176 -10.914 1.00 62.12 C ATOM 989 NZ LYS A 65 3.704 4.100 -11.999 1.00 74.50 N ATOM 0 H LYS A 65 8.305 3.828 -7.202 1.00 13.13 H new ATOM 0 HA LYS A 65 6.339 5.809 -6.542 1.00 72.32 H new ATOM 0 HB2 LYS A 65 4.418 4.599 -7.579 1.00 41.30 H new ATOM 0 HB3 LYS A 65 5.485 5.341 -8.755 1.00 41.30 H new ATOM 0 HG2 LYS A 65 6.570 3.102 -9.124 1.00 45.52 H new ATOM 0 HG3 LYS A 65 5.410 2.390 -8.020 1.00 45.52 H new ATOM 0 HD2 LYS A 65 4.678 2.096 -10.360 1.00 24.04 H new ATOM 0 HD3 LYS A 65 3.538 3.092 -9.477 1.00 24.04 H new ATOM 0 HE2 LYS A 65 4.645 5.144 -10.419 1.00 62.12 H new ATOM 0 HE3 LYS A 65 5.717 4.115 -11.349 1.00 62.12 H new ATOM 0 HZ1 LYS A 65 3.860 4.874 -12.676 1.00 74.50 H new ATOM 0 HZ2 LYS A 65 3.789 3.188 -12.491 1.00 74.50 H new ATOM 0 HZ3 LYS A 65 2.752 4.185 -11.590 1.00 74.50 H new ATOM 1003 N LEU A 66 5.083 4.031 -5.059 1.00 64.12 N ATOM 1004 CA LEU A 66 4.743 3.301 -3.828 1.00 1.14 C ATOM 1005 C LEU A 66 4.698 1.772 -4.026 1.00 43.34 C ATOM 1006 O LEU A 66 5.114 1.017 -3.148 1.00 23.22 O ATOM 1007 CB LEU A 66 3.386 3.802 -3.305 1.00 32.20 C ATOM 1008 CG LEU A 66 2.919 3.206 -1.967 1.00 44.31 C ATOM 1009 CD1 LEU A 66 3.891 3.561 -0.840 1.00 41.52 C ATOM 1010 CD2 LEU A 66 1.507 3.685 -1.636 1.00 34.01 C ATOM 0 H LEU A 66 4.367 4.695 -5.352 1.00 64.12 H new ATOM 0 HA LEU A 66 5.532 3.497 -3.102 1.00 1.14 H new ATOM 0 HB2 LEU A 66 3.437 4.886 -3.199 1.00 32.20 H new ATOM 0 HB3 LEU A 66 2.628 3.591 -4.059 1.00 32.20 H new ATOM 0 HG LEU A 66 2.902 2.120 -2.064 1.00 44.31 H new ATOM 0 HD11 LEU A 66 3.537 3.127 0.095 1.00 41.52 H new ATOM 0 HD12 LEU A 66 4.879 3.164 -1.073 1.00 41.52 H new ATOM 0 HD13 LEU A 66 3.950 4.645 -0.738 1.00 41.52 H new ATOM 0 HD21 LEU A 66 1.190 3.255 -0.686 1.00 34.01 H new ATOM 0 HD22 LEU A 66 1.500 4.772 -1.562 1.00 34.01 H new ATOM 0 HD23 LEU A 66 0.822 3.370 -2.423 1.00 34.01 H new ATOM 1022 N SER A 67 4.202 1.328 -5.179 1.00 21.30 N ATOM 1023 CA SER A 67 4.040 -0.112 -5.463 1.00 10.23 C ATOM 1024 C SER A 67 5.337 -0.905 -5.229 1.00 55.34 C ATOM 1025 O SER A 67 5.354 -1.883 -4.474 1.00 55.35 O ATOM 1026 CB SER A 67 3.573 -0.312 -6.911 1.00 11.35 C ATOM 1027 OG SER A 67 4.489 0.265 -7.831 1.00 1.31 O ATOM 0 H SER A 67 3.902 1.939 -5.938 1.00 21.30 H new ATOM 0 HA SER A 67 3.290 -0.493 -4.770 1.00 10.23 H new ATOM 0 HB2 SER A 67 3.468 -1.377 -7.118 1.00 11.35 H new ATOM 0 HB3 SER A 67 2.589 0.137 -7.044 1.00 11.35 H new ATOM 0 HG SER A 67 4.168 0.122 -8.746 1.00 1.31 H new ATOM 1033 N ASP A 68 6.416 -0.476 -5.878 1.00 23.00 N ATOM 1034 CA ASP A 68 7.713 -1.151 -5.771 1.00 30.03 C ATOM 1035 C ASP A 68 8.286 -1.029 -4.344 1.00 40.33 C ATOM 1036 O ASP A 68 8.983 -1.923 -3.860 1.00 74.24 O ATOM 1037 CB ASP A 68 8.691 -0.562 -6.798 1.00 10.42 C ATOM 1038 CG ASP A 68 9.968 -1.375 -6.927 1.00 31.43 C ATOM 1039 OD1 ASP A 68 9.886 -2.565 -7.307 1.00 22.41 O ATOM 1040 OD2 ASP A 68 11.059 -0.832 -6.662 1.00 73.10 O ATOM 0 H ASP A 68 6.421 0.341 -6.488 1.00 23.00 H new ATOM 0 HA ASP A 68 7.571 -2.211 -5.982 1.00 30.03 H new ATOM 0 HB2 ASP A 68 8.201 -0.507 -7.770 1.00 10.42 H new ATOM 0 HB3 ASP A 68 8.943 0.459 -6.510 1.00 10.42 H new ATOM 1045 N LEU A 69 7.972 0.079 -3.674 1.00 73.30 N ATOM 1046 CA LEU A 69 8.405 0.305 -2.289 1.00 72.03 C ATOM 1047 C LEU A 69 7.790 -0.729 -1.327 1.00 23.42 C ATOM 1048 O LEU A 69 8.505 -1.399 -0.575 1.00 14.30 O ATOM 1049 CB LEU A 69 8.020 1.729 -1.847 1.00 53.00 C ATOM 1050 CG LEU A 69 8.238 2.044 -0.355 1.00 32.21 C ATOM 1051 CD1 LEU A 69 9.713 1.922 0.020 1.00 40.55 C ATOM 1052 CD2 LEU A 69 7.704 3.434 -0.017 1.00 71.14 C ATOM 0 H LEU A 69 7.417 0.839 -4.067 1.00 73.30 H new ATOM 0 HA LEU A 69 9.488 0.191 -2.253 1.00 72.03 H new ATOM 0 HB2 LEU A 69 8.595 2.442 -2.438 1.00 53.00 H new ATOM 0 HB3 LEU A 69 6.969 1.892 -2.085 1.00 53.00 H new ATOM 0 HG LEU A 69 7.683 1.312 0.232 1.00 32.21 H new ATOM 0 HD11 LEU A 69 9.839 2.150 1.078 1.00 40.55 H new ATOM 0 HD12 LEU A 69 10.055 0.906 -0.176 1.00 40.55 H new ATOM 0 HD13 LEU A 69 10.299 2.623 -0.574 1.00 40.55 H new ATOM 0 HD21 LEU A 69 7.867 3.639 1.041 1.00 71.14 H new ATOM 0 HD22 LEU A 69 8.227 4.180 -0.616 1.00 71.14 H new ATOM 0 HD23 LEU A 69 6.637 3.477 -0.235 1.00 71.14 H new ATOM 1064 N VAL A 70 6.465 -0.856 -1.362 1.00 2.34 N ATOM 1065 CA VAL A 70 5.737 -1.733 -0.435 1.00 40.40 C ATOM 1066 C VAL A 70 6.194 -3.203 -0.543 1.00 24.33 C ATOM 1067 O VAL A 70 6.462 -3.856 0.467 1.00 21.10 O ATOM 1068 CB VAL A 70 4.206 -1.653 -0.669 1.00 2.21 C ATOM 1069 CG1 VAL A 70 3.456 -2.532 0.327 1.00 74.14 C ATOM 1070 CG2 VAL A 70 3.721 -0.207 -0.580 1.00 4.14 C ATOM 0 H VAL A 70 5.867 -0.362 -2.024 1.00 2.34 H new ATOM 0 HA VAL A 70 5.967 -1.375 0.568 1.00 40.40 H new ATOM 0 HB VAL A 70 3.999 -2.024 -1.673 1.00 2.21 H new ATOM 0 HG11 VAL A 70 2.384 -2.459 0.142 1.00 74.14 H new ATOM 0 HG12 VAL A 70 3.774 -3.568 0.210 1.00 74.14 H new ATOM 0 HG13 VAL A 70 3.673 -2.199 1.342 1.00 74.14 H new ATOM 0 HG21 VAL A 70 2.644 -0.173 -0.747 1.00 4.14 H new ATOM 0 HG22 VAL A 70 3.947 0.192 0.409 1.00 4.14 H new ATOM 0 HG23 VAL A 70 4.225 0.393 -1.338 1.00 4.14 H new ATOM 1080 N LYS A 71 6.294 -3.714 -1.772 1.00 62.33 N ATOM 1081 CA LYS A 71 6.711 -5.108 -2.000 1.00 1.13 C ATOM 1082 C LYS A 71 8.136 -5.374 -1.481 1.00 22.21 C ATOM 1083 O LYS A 71 8.463 -6.497 -1.096 1.00 11.23 O ATOM 1084 CB LYS A 71 6.632 -5.463 -3.491 1.00 54.22 C ATOM 1085 CG LYS A 71 7.461 -4.546 -4.382 1.00 70.10 C ATOM 1086 CD LYS A 71 7.569 -5.069 -5.810 1.00 55.54 C ATOM 1087 CE LYS A 71 8.397 -6.349 -5.884 1.00 4.44 C ATOM 1088 NZ LYS A 71 8.648 -6.764 -7.287 1.00 71.12 N ATOM 0 H LYS A 71 6.094 -3.190 -2.624 1.00 62.33 H new ATOM 0 HA LYS A 71 6.022 -5.741 -1.441 1.00 1.13 H new ATOM 0 HB2 LYS A 71 6.968 -6.491 -3.629 1.00 54.22 H new ATOM 0 HB3 LYS A 71 5.591 -5.422 -3.811 1.00 54.22 H new ATOM 0 HG2 LYS A 71 7.013 -3.553 -4.394 1.00 70.10 H new ATOM 0 HG3 LYS A 71 8.460 -4.439 -3.960 1.00 70.10 H new ATOM 0 HD2 LYS A 71 6.571 -5.259 -6.204 1.00 55.54 H new ATOM 0 HD3 LYS A 71 8.022 -4.306 -6.443 1.00 55.54 H new ATOM 0 HE2 LYS A 71 9.348 -6.196 -5.375 1.00 4.44 H new ATOM 0 HE3 LYS A 71 7.878 -7.149 -5.356 1.00 4.44 H new ATOM 0 HZ1 LYS A 71 9.213 -7.637 -7.295 1.00 71.12 H new ATOM 0 HZ2 LYS A 71 7.741 -6.935 -7.766 1.00 71.12 H new ATOM 0 HZ3 LYS A 71 9.166 -6.012 -7.784 1.00 71.12 H new ATOM 1102 N ALA A 72 8.973 -4.337 -1.479 1.00 2.34 N ATOM 1103 CA ALA A 72 10.360 -4.455 -1.011 1.00 2.12 C ATOM 1104 C ALA A 72 10.463 -4.308 0.517 1.00 62.24 C ATOM 1105 O ALA A 72 11.548 -4.416 1.090 1.00 31.34 O ATOM 1106 CB ALA A 72 11.229 -3.412 -1.705 1.00 31.21 C ATOM 0 H ALA A 72 8.717 -3.402 -1.796 1.00 2.34 H new ATOM 0 HA ALA A 72 10.717 -5.453 -1.266 1.00 2.12 H new ATOM 0 HB1 ALA A 72 12.257 -3.503 -1.355 1.00 31.21 H new ATOM 0 HB2 ALA A 72 11.198 -3.571 -2.783 1.00 31.21 H new ATOM 0 HB3 ALA A 72 10.854 -2.415 -1.474 1.00 31.21 H new ATOM 1112 N ARG A 73 9.329 -4.055 1.172 1.00 2.31 N ATOM 1113 CA ARG A 73 9.296 -3.863 2.629 1.00 65.04 C ATOM 1114 C ARG A 73 8.351 -4.870 3.308 1.00 72.34 C ATOM 1115 O ARG A 73 7.539 -4.503 4.161 1.00 52.52 O ATOM 1116 CB ARG A 73 8.869 -2.418 2.951 1.00 33.43 C ATOM 1117 CG ARG A 73 9.785 -1.362 2.336 1.00 34.31 C ATOM 1118 CD ARG A 73 11.211 -1.456 2.876 1.00 74.20 C ATOM 1119 NE ARG A 73 12.170 -0.737 2.035 1.00 24.22 N ATOM 1120 CZ ARG A 73 13.337 -0.323 2.442 1.00 42.23 C ATOM 1121 NH1 ARG A 73 13.676 -0.429 3.687 1.00 32.35 N ATOM 1122 NH2 ARG A 73 14.164 0.209 1.598 1.00 50.51 N ATOM 0 H ARG A 73 8.418 -3.978 0.719 1.00 2.31 H new ATOM 0 HA ARG A 73 10.297 -4.039 3.022 1.00 65.04 H new ATOM 0 HB2 ARG A 73 7.852 -2.259 2.592 1.00 33.43 H new ATOM 0 HB3 ARG A 73 8.850 -2.286 4.033 1.00 33.43 H new ATOM 0 HG2 ARG A 73 9.799 -1.481 1.253 1.00 34.31 H new ATOM 0 HG3 ARG A 73 9.384 -0.370 2.542 1.00 34.31 H new ATOM 0 HD2 ARG A 73 11.242 -1.051 3.887 1.00 74.20 H new ATOM 0 HD3 ARG A 73 11.504 -2.504 2.943 1.00 74.20 H new ATOM 0 HE ARG A 73 11.908 -0.548 1.068 1.00 24.22 H new ATOM 0 HH11 ARG A 73 13.028 -0.839 4.359 1.00 32.35 H new ATOM 0 HH12 ARG A 73 14.592 -0.102 3.996 1.00 32.35 H new ATOM 0 HH21 ARG A 73 13.901 0.303 0.617 1.00 50.51 H new ATOM 0 HH22 ARG A 73 15.078 0.534 1.915 1.00 50.51 H new ATOM 1136 N THR A 74 8.496 -6.149 2.948 1.00 45.32 N ATOM 1137 CA THR A 74 7.663 -7.235 3.502 1.00 74.15 C ATOM 1138 C THR A 74 7.705 -7.283 5.039 1.00 42.32 C ATOM 1139 O THR A 74 6.773 -7.771 5.683 1.00 61.23 O ATOM 1140 CB THR A 74 8.100 -8.615 2.956 1.00 2.42 C ATOM 1141 OG1 THR A 74 9.477 -8.855 3.285 1.00 33.12 O ATOM 1142 CG2 THR A 74 7.915 -8.692 1.444 1.00 12.12 C ATOM 0 H THR A 74 9.188 -6.465 2.269 1.00 45.32 H new ATOM 0 HA THR A 74 6.643 -7.016 3.186 1.00 74.15 H new ATOM 0 HB THR A 74 7.473 -9.377 3.418 1.00 2.42 H new ATOM 0 HG1 THR A 74 9.748 -9.731 2.939 1.00 33.12 H new ATOM 0 HG21 THR A 74 8.230 -9.673 1.088 1.00 12.12 H new ATOM 0 HG22 THR A 74 6.865 -8.537 1.198 1.00 12.12 H new ATOM 0 HG23 THR A 74 8.518 -7.921 0.964 1.00 12.12 H new ATOM 1150 N ASP A 75 8.795 -6.789 5.620 1.00 53.13 N ATOM 1151 CA ASP A 75 8.913 -6.662 7.076 1.00 41.12 C ATOM 1152 C ASP A 75 7.763 -5.817 7.652 1.00 20.13 C ATOM 1153 O ASP A 75 7.168 -6.160 8.680 1.00 65.22 O ATOM 1154 CB ASP A 75 10.269 -6.032 7.425 1.00 62.21 C ATOM 1155 CG ASP A 75 10.429 -5.743 8.909 1.00 25.34 C ATOM 1156 OD1 ASP A 75 10.353 -6.694 9.716 1.00 52.54 O ATOM 1157 OD2 ASP A 75 10.644 -4.567 9.276 1.00 52.20 O ATOM 0 H ASP A 75 9.615 -6.468 5.105 1.00 53.13 H new ATOM 0 HA ASP A 75 8.850 -7.655 7.521 1.00 41.12 H new ATOM 0 HB2 ASP A 75 11.067 -6.701 7.103 1.00 62.21 H new ATOM 0 HB3 ASP A 75 10.386 -5.104 6.866 1.00 62.21 H new ATOM 1162 N LEU A 76 7.441 -4.728 6.962 1.00 10.51 N ATOM 1163 CA LEU A 76 6.409 -3.786 7.405 1.00 43.53 C ATOM 1164 C LEU A 76 5.028 -4.119 6.812 1.00 3.15 C ATOM 1165 O LEU A 76 4.009 -4.043 7.504 1.00 35.22 O ATOM 1166 CB LEU A 76 6.810 -2.360 6.997 1.00 61.03 C ATOM 1167 CG LEU A 76 8.138 -1.855 7.590 1.00 44.14 C ATOM 1168 CD1 LEU A 76 8.504 -0.488 7.014 1.00 10.43 C ATOM 1169 CD2 LEU A 76 8.057 -1.799 9.115 1.00 63.10 C ATOM 0 H LEU A 76 7.885 -4.470 6.081 1.00 10.51 H new ATOM 0 HA LEU A 76 6.332 -3.865 8.489 1.00 43.53 H new ATOM 0 HB2 LEU A 76 6.876 -2.316 5.910 1.00 61.03 H new ATOM 0 HB3 LEU A 76 6.015 -1.677 7.296 1.00 61.03 H new ATOM 0 HG LEU A 76 8.925 -2.557 7.316 1.00 44.14 H new ATOM 0 HD11 LEU A 76 9.446 -0.151 7.447 1.00 10.43 H new ATOM 0 HD12 LEU A 76 8.610 -0.566 5.932 1.00 10.43 H new ATOM 0 HD13 LEU A 76 7.718 0.229 7.251 1.00 10.43 H new ATOM 0 HD21 LEU A 76 9.005 -1.440 9.517 1.00 63.10 H new ATOM 0 HD22 LEU A 76 7.257 -1.121 9.412 1.00 63.10 H new ATOM 0 HD23 LEU A 76 7.852 -2.796 9.505 1.00 63.10 H new ATOM 1181 N PHE A 77 4.999 -4.481 5.527 1.00 21.23 N ATOM 1182 CA PHE A 77 3.733 -4.682 4.805 1.00 14.21 C ATOM 1183 C PHE A 77 3.647 -6.081 4.164 1.00 33.32 C ATOM 1184 O PHE A 77 4.596 -6.555 3.544 1.00 61.22 O ATOM 1185 CB PHE A 77 3.582 -3.608 3.714 1.00 25.23 C ATOM 1186 CG PHE A 77 3.826 -2.199 4.204 1.00 12.30 C ATOM 1187 CD1 PHE A 77 3.081 -1.674 5.253 1.00 13.42 C ATOM 1188 CD2 PHE A 77 4.806 -1.400 3.623 1.00 32.52 C ATOM 1189 CE1 PHE A 77 3.309 -0.389 5.709 1.00 34.00 C ATOM 1190 CE2 PHE A 77 5.033 -0.115 4.077 1.00 34.12 C ATOM 1191 CZ PHE A 77 4.286 0.389 5.120 1.00 11.25 C ATOM 0 H PHE A 77 5.834 -4.641 4.963 1.00 21.23 H new ATOM 0 HA PHE A 77 2.924 -4.599 5.531 1.00 14.21 H new ATOM 0 HB2 PHE A 77 4.278 -3.826 2.904 1.00 25.23 H new ATOM 0 HB3 PHE A 77 2.577 -3.668 3.296 1.00 25.23 H new ATOM 0 HD1 PHE A 77 2.315 -2.277 5.718 1.00 13.42 H new ATOM 0 HD2 PHE A 77 5.397 -1.789 2.807 1.00 32.52 H new ATOM 0 HE1 PHE A 77 2.723 0.006 6.526 1.00 34.00 H new ATOM 0 HE2 PHE A 77 5.796 0.494 3.615 1.00 34.12 H new ATOM 0 HZ PHE A 77 4.465 1.393 5.477 1.00 11.25 H new ATOM 1201 N VAL A 78 2.495 -6.731 4.314 1.00 12.53 N ATOM 1202 CA VAL A 78 2.242 -8.027 3.672 1.00 71.41 C ATOM 1203 C VAL A 78 1.680 -7.818 2.255 1.00 71.53 C ATOM 1204 O VAL A 78 0.602 -7.242 2.086 1.00 34.11 O ATOM 1205 CB VAL A 78 1.250 -8.879 4.503 1.00 11.24 C ATOM 1206 CG1 VAL A 78 1.020 -10.246 3.859 1.00 52.23 C ATOM 1207 CG2 VAL A 78 1.747 -9.033 5.939 1.00 61.33 C ATOM 0 H VAL A 78 1.718 -6.383 4.875 1.00 12.53 H new ATOM 0 HA VAL A 78 3.191 -8.561 3.612 1.00 71.41 H new ATOM 0 HB VAL A 78 0.294 -8.357 4.524 1.00 11.24 H new ATOM 0 HG11 VAL A 78 0.320 -10.821 4.465 1.00 52.23 H new ATOM 0 HG12 VAL A 78 0.609 -10.112 2.858 1.00 52.23 H new ATOM 0 HG13 VAL A 78 1.967 -10.781 3.794 1.00 52.23 H new ATOM 0 HG21 VAL A 78 1.037 -9.634 6.507 1.00 61.33 H new ATOM 0 HG22 VAL A 78 2.719 -9.525 5.937 1.00 61.33 H new ATOM 0 HG23 VAL A 78 1.839 -8.049 6.399 1.00 61.33 H new ATOM 1217 N THR A 79 2.413 -8.284 1.241 1.00 62.01 N ATOM 1218 CA THR A 79 2.071 -8.004 -0.166 1.00 62.33 C ATOM 1219 C THR A 79 1.721 -9.275 -0.959 1.00 23.33 C ATOM 1220 O THR A 79 2.466 -10.259 -0.936 1.00 43.15 O ATOM 1221 CB THR A 79 3.250 -7.295 -0.878 1.00 24.40 C ATOM 1222 OG1 THR A 79 4.404 -8.153 -0.905 1.00 44.13 O ATOM 1223 CG2 THR A 79 3.611 -5.996 -0.169 1.00 22.32 C ATOM 0 H THR A 79 3.248 -8.857 1.362 1.00 62.01 H new ATOM 0 HA THR A 79 1.191 -7.362 -0.142 1.00 62.33 H new ATOM 0 HB THR A 79 2.937 -7.068 -1.897 1.00 24.40 H new ATOM 0 HG1 THR A 79 4.119 -9.080 -1.050 1.00 44.13 H new ATOM 0 HG21 THR A 79 4.441 -5.517 -0.688 1.00 22.32 H new ATOM 0 HG22 THR A 79 2.749 -5.329 -0.170 1.00 22.32 H new ATOM 0 HG23 THR A 79 3.901 -6.211 0.859 1.00 22.32 H new ATOM 1231 N GLU A 80 0.585 -9.241 -1.666 1.00 21.21 N ATOM 1232 CA GLU A 80 0.173 -10.331 -2.569 1.00 12.21 C ATOM 1233 C GLU A 80 -0.674 -9.799 -3.737 1.00 61.41 C ATOM 1234 O GLU A 80 -1.584 -8.989 -3.544 1.00 74.51 O ATOM 1235 CB GLU A 80 -0.631 -11.409 -1.817 1.00 32.22 C ATOM 1236 CG GLU A 80 0.195 -12.260 -0.853 1.00 21.44 C ATOM 1237 CD GLU A 80 -0.624 -13.340 -0.165 1.00 30.10 C ATOM 1238 OE1 GLU A 80 -1.373 -14.058 -0.858 1.00 64.12 O ATOM 1239 OE2 GLU A 80 -0.509 -13.490 1.067 1.00 53.20 O ATOM 0 H GLU A 80 -0.074 -8.463 -1.631 1.00 21.21 H new ATOM 0 HA GLU A 80 1.087 -10.776 -2.962 1.00 12.21 H new ATOM 0 HB2 GLU A 80 -1.431 -10.923 -1.258 1.00 32.22 H new ATOM 0 HB3 GLU A 80 -1.105 -12.066 -2.547 1.00 32.22 H new ATOM 0 HG2 GLU A 80 1.015 -12.726 -1.399 1.00 21.44 H new ATOM 0 HG3 GLU A 80 0.642 -11.614 -0.098 1.00 21.44 H new ATOM 1246 N GLU A 81 -0.376 -10.260 -4.953 1.00 13.24 N ATOM 1247 CA GLU A 81 -1.187 -9.918 -6.129 1.00 54.42 C ATOM 1248 C GLU A 81 -2.332 -10.930 -6.284 1.00 44.35 C ATOM 1249 O GLU A 81 -2.098 -12.135 -6.399 1.00 4.24 O ATOM 1250 CB GLU A 81 -0.329 -9.902 -7.405 1.00 1.54 C ATOM 1251 CG GLU A 81 0.870 -8.963 -7.345 1.00 22.15 C ATOM 1252 CD GLU A 81 1.699 -9.000 -8.621 1.00 22.43 C ATOM 1253 OE1 GLU A 81 2.481 -9.960 -8.797 1.00 35.03 O ATOM 1254 OE2 GLU A 81 1.566 -8.081 -9.458 1.00 21.32 O ATOM 0 H GLU A 81 0.418 -10.869 -5.152 1.00 13.24 H new ATOM 0 HA GLU A 81 -1.600 -8.920 -5.982 1.00 54.42 H new ATOM 0 HB2 GLU A 81 0.026 -10.913 -7.602 1.00 1.54 H new ATOM 0 HB3 GLU A 81 -0.958 -9.615 -8.248 1.00 1.54 H new ATOM 0 HG2 GLU A 81 0.523 -7.945 -7.170 1.00 22.15 H new ATOM 0 HG3 GLU A 81 1.499 -9.235 -6.498 1.00 22.15 H new ATOM 1261 N ARG A 82 -3.569 -10.444 -6.279 1.00 75.45 N ATOM 1262 CA ARG A 82 -4.747 -11.316 -6.345 1.00 5.12 C ATOM 1263 C ARG A 82 -5.555 -11.037 -7.626 1.00 1.01 C ATOM 1264 O ARG A 82 -5.654 -9.893 -8.066 1.00 1.52 O ATOM 1265 CB ARG A 82 -5.625 -11.075 -5.106 1.00 64.31 C ATOM 1266 CG ARG A 82 -4.848 -11.096 -3.786 1.00 50.20 C ATOM 1267 CD ARG A 82 -4.286 -12.475 -3.445 1.00 51.03 C ATOM 1268 NE ARG A 82 -5.322 -13.388 -2.960 1.00 74.54 N ATOM 1269 CZ ARG A 82 -5.170 -14.202 -1.948 1.00 4.34 C ATOM 1270 NH1 ARG A 82 -4.032 -14.292 -1.337 1.00 12.40 N ATOM 1271 NH2 ARG A 82 -6.160 -14.937 -1.559 1.00 63.02 N ATOM 0 H ARG A 82 -3.787 -9.449 -6.230 1.00 75.45 H new ATOM 0 HA ARG A 82 -4.420 -12.356 -6.366 1.00 5.12 H new ATOM 0 HB2 ARG A 82 -6.125 -10.112 -5.208 1.00 64.31 H new ATOM 0 HB3 ARG A 82 -6.404 -11.836 -5.071 1.00 64.31 H new ATOM 0 HG2 ARG A 82 -4.028 -10.380 -3.842 1.00 50.20 H new ATOM 0 HG3 ARG A 82 -5.504 -10.768 -2.980 1.00 50.20 H new ATOM 0 HD2 ARG A 82 -3.813 -12.902 -4.329 1.00 51.03 H new ATOM 0 HD3 ARG A 82 -3.510 -12.372 -2.686 1.00 51.03 H new ATOM 0 HE ARG A 82 -6.221 -13.389 -3.443 1.00 74.54 H new ATOM 0 HH11 ARG A 82 -3.242 -13.724 -1.644 1.00 12.40 H new ATOM 0 HH12 ARG A 82 -3.925 -14.931 -0.549 1.00 12.40 H new ATOM 0 HH21 ARG A 82 -7.057 -14.881 -2.041 1.00 63.02 H new ATOM 0 HH22 ARG A 82 -6.044 -15.573 -0.770 1.00 63.02 H new ATOM 1285 N GLN A 83 -6.132 -12.078 -8.220 1.00 55.14 N ATOM 1286 CA GLN A 83 -6.922 -11.918 -9.449 1.00 73.21 C ATOM 1287 C GLN A 83 -8.334 -11.399 -9.133 1.00 42.20 C ATOM 1288 O GLN A 83 -8.958 -11.826 -8.160 1.00 62.31 O ATOM 1289 CB GLN A 83 -7.022 -13.242 -10.217 1.00 64.12 C ATOM 1290 CG GLN A 83 -7.632 -13.083 -11.610 1.00 30.32 C ATOM 1291 CD GLN A 83 -7.946 -14.409 -12.286 1.00 65.42 C ATOM 1292 OE1 GLN A 83 -7.296 -15.421 -12.040 1.00 73.32 O ATOM 1293 NE2 GLN A 83 -8.942 -14.411 -13.148 1.00 71.03 N ATOM 0 H GLN A 83 -6.071 -13.037 -7.878 1.00 55.14 H new ATOM 0 HA GLN A 83 -6.408 -11.187 -10.073 1.00 73.21 H new ATOM 0 HB2 GLN A 83 -6.027 -13.677 -10.310 1.00 64.12 H new ATOM 0 HB3 GLN A 83 -7.624 -13.945 -9.641 1.00 64.12 H new ATOM 0 HG2 GLN A 83 -8.548 -12.497 -11.533 1.00 30.32 H new ATOM 0 HG3 GLN A 83 -6.943 -12.517 -12.238 1.00 30.32 H new ATOM 0 HE21 GLN A 83 -9.462 -13.552 -13.329 1.00 71.03 H new ATOM 0 HE22 GLN A 83 -9.194 -15.271 -13.634 1.00 71.03 H new ATOM 1302 N VAL A 84 -8.836 -10.482 -9.960 1.00 12.33 N ATOM 1303 CA VAL A 84 -10.153 -9.875 -9.733 1.00 74.32 C ATOM 1304 C VAL A 84 -11.273 -10.712 -10.381 1.00 2.11 C ATOM 1305 O VAL A 84 -11.282 -10.912 -11.599 1.00 73.33 O ATOM 1306 CB VAL A 84 -10.204 -8.431 -10.298 1.00 5.14 C ATOM 1307 CG1 VAL A 84 -11.549 -7.770 -9.997 1.00 2.01 C ATOM 1308 CG2 VAL A 84 -9.043 -7.597 -9.750 1.00 24.02 C ATOM 0 H VAL A 84 -8.354 -10.142 -10.792 1.00 12.33 H new ATOM 0 HA VAL A 84 -10.311 -9.845 -8.655 1.00 74.32 H new ATOM 0 HB VAL A 84 -10.099 -8.486 -11.382 1.00 5.14 H new ATOM 0 HG11 VAL A 84 -11.557 -6.759 -10.404 1.00 2.01 H new ATOM 0 HG12 VAL A 84 -12.350 -8.351 -10.453 1.00 2.01 H new ATOM 0 HG13 VAL A 84 -11.700 -7.728 -8.918 1.00 2.01 H new ATOM 0 HG21 VAL A 84 -9.096 -6.588 -10.158 1.00 24.02 H new ATOM 0 HG22 VAL A 84 -9.108 -7.553 -8.663 1.00 24.02 H new ATOM 0 HG23 VAL A 84 -8.097 -8.056 -10.039 1.00 24.02 H new ATOM 1318 N PRO A 85 -12.233 -11.212 -9.569 1.00 62.23 N ATOM 1319 CA PRO A 85 -13.332 -12.070 -10.057 1.00 73.13 C ATOM 1320 C PRO A 85 -14.152 -11.422 -11.188 1.00 11.53 C ATOM 1321 O PRO A 85 -14.475 -10.234 -11.137 1.00 44.51 O ATOM 1322 CB PRO A 85 -14.208 -12.293 -8.807 1.00 20.13 C ATOM 1323 CG PRO A 85 -13.788 -11.234 -7.842 1.00 41.52 C ATOM 1324 CD PRO A 85 -12.331 -10.986 -8.116 1.00 21.12 C ATOM 0 HA PRO A 85 -12.949 -12.992 -10.494 1.00 73.13 H new ATOM 0 HB2 PRO A 85 -15.268 -12.208 -9.048 1.00 20.13 H new ATOM 0 HB3 PRO A 85 -14.054 -13.289 -8.391 1.00 20.13 H new ATOM 0 HG2 PRO A 85 -14.372 -10.324 -7.981 1.00 41.52 H new ATOM 0 HG3 PRO A 85 -13.943 -11.559 -6.813 1.00 41.52 H new ATOM 0 HD2 PRO A 85 -12.034 -9.974 -7.843 1.00 21.12 H new ATOM 0 HD3 PRO A 85 -11.692 -11.668 -7.556 1.00 21.12 H new ATOM 1332 N GLY A 86 -14.489 -12.214 -12.206 1.00 32.21 N ATOM 1333 CA GLY A 86 -15.220 -11.693 -13.361 1.00 42.22 C ATOM 1334 C GLY A 86 -14.373 -10.786 -14.252 1.00 55.33 C ATOM 1335 O GLY A 86 -14.890 -10.152 -15.178 1.00 34.35 O ATOM 0 H GLY A 86 -14.270 -13.209 -12.255 1.00 32.21 H new ATOM 0 HA2 GLY A 86 -15.592 -12.528 -13.954 1.00 42.22 H new ATOM 0 HA3 GLY A 86 -16.090 -11.138 -13.011 1.00 42.22 H new ATOM 1339 N SER A 87 -13.071 -10.726 -13.977 1.00 51.54 N ATOM 1340 CA SER A 87 -12.142 -9.877 -14.735 1.00 20.21 C ATOM 1341 C SER A 87 -10.840 -10.622 -15.064 1.00 34.40 C ATOM 1342 O SER A 87 -10.529 -11.651 -14.461 1.00 35.44 O ATOM 1343 CB SER A 87 -11.827 -8.601 -13.942 1.00 24.02 C ATOM 1344 OG SER A 87 -12.990 -7.798 -13.766 1.00 72.10 O ATOM 0 H SER A 87 -12.629 -11.259 -13.228 1.00 51.54 H new ATOM 0 HA SER A 87 -12.625 -9.611 -15.675 1.00 20.21 H new ATOM 0 HB2 SER A 87 -11.417 -8.868 -12.968 1.00 24.02 H new ATOM 0 HB3 SER A 87 -11.062 -8.026 -14.464 1.00 24.02 H new ATOM 0 HG SER A 87 -12.758 -6.994 -13.256 1.00 72.10 H new ATOM 1350 N THR A 88 -10.089 -10.103 -16.034 1.00 53.40 N ATOM 1351 CA THR A 88 -8.813 -10.718 -16.448 1.00 1.54 C ATOM 1352 C THR A 88 -7.611 -10.121 -15.697 1.00 52.44 C ATOM 1353 O THR A 88 -6.627 -10.814 -15.418 1.00 10.01 O ATOM 1354 CB THR A 88 -8.580 -10.574 -17.977 1.00 32.44 C ATOM 1355 OG1 THR A 88 -7.268 -11.039 -18.334 1.00 12.41 O ATOM 1356 CG2 THR A 88 -8.745 -9.124 -18.426 1.00 43.14 C ATOM 0 H THR A 88 -10.335 -9.259 -16.552 1.00 53.40 H new ATOM 0 HA THR A 88 -8.892 -11.775 -16.194 1.00 1.54 H new ATOM 0 HB THR A 88 -9.329 -11.184 -18.482 1.00 32.44 H new ATOM 0 HG1 THR A 88 -7.139 -10.943 -19.301 1.00 12.41 H new ATOM 0 HG21 THR A 88 -8.576 -9.054 -19.501 1.00 43.14 H new ATOM 0 HG22 THR A 88 -9.754 -8.784 -18.195 1.00 43.14 H new ATOM 0 HG23 THR A 88 -8.022 -8.497 -17.904 1.00 43.14 H new ATOM 1364 N GLN A 89 -7.698 -8.833 -15.360 1.00 14.22 N ATOM 1365 CA GLN A 89 -6.608 -8.140 -14.661 1.00 4.04 C ATOM 1366 C GLN A 89 -6.452 -8.630 -13.209 1.00 3.42 C ATOM 1367 O GLN A 89 -7.381 -9.186 -12.616 1.00 24.13 O ATOM 1368 CB GLN A 89 -6.853 -6.623 -14.669 1.00 34.32 C ATOM 1369 CG GLN A 89 -8.058 -6.191 -13.838 1.00 63.14 C ATOM 1370 CD GLN A 89 -8.266 -4.686 -13.841 1.00 4.13 C ATOM 1371 OE1 GLN A 89 -7.737 -3.967 -12.999 1.00 61.54 O ATOM 1372 NE2 GLN A 89 -9.033 -4.193 -14.789 1.00 52.35 N ATOM 0 H GLN A 89 -8.509 -8.247 -15.558 1.00 14.22 H new ATOM 0 HA GLN A 89 -5.685 -8.368 -15.193 1.00 4.04 H new ATOM 0 HB2 GLN A 89 -5.963 -6.118 -14.292 1.00 34.32 H new ATOM 0 HB3 GLN A 89 -6.995 -6.292 -15.698 1.00 34.32 H new ATOM 0 HG2 GLN A 89 -8.953 -6.678 -14.224 1.00 63.14 H new ATOM 0 HG3 GLN A 89 -7.927 -6.533 -12.811 1.00 63.14 H new ATOM 0 HE21 GLN A 89 -9.459 -4.816 -15.475 1.00 52.35 H new ATOM 0 HE22 GLN A 89 -9.201 -3.188 -14.838 1.00 52.35 H new ATOM 1381 N LYS A 90 -5.271 -8.408 -12.639 1.00 62.12 N ATOM 1382 CA LYS A 90 -4.990 -8.782 -11.250 1.00 42.03 C ATOM 1383 C LYS A 90 -4.594 -7.545 -10.422 1.00 25.34 C ATOM 1384 O LYS A 90 -3.827 -6.693 -10.881 1.00 21.24 O ATOM 1385 CB LYS A 90 -3.880 -9.846 -11.205 1.00 55.10 C ATOM 1386 CG LYS A 90 -2.531 -9.364 -11.740 1.00 13.44 C ATOM 1387 CD LYS A 90 -1.496 -10.487 -11.809 1.00 53.55 C ATOM 1388 CE LYS A 90 -1.339 -11.209 -10.477 1.00 52.53 C ATOM 1389 NZ LYS A 90 -0.243 -12.214 -10.516 1.00 40.22 N ATOM 0 H LYS A 90 -4.486 -7.968 -13.119 1.00 62.12 H new ATOM 0 HA LYS A 90 -5.895 -9.203 -10.812 1.00 42.03 H new ATOM 0 HB2 LYS A 90 -3.752 -10.179 -10.175 1.00 55.10 H new ATOM 0 HB3 LYS A 90 -4.199 -10.713 -11.783 1.00 55.10 H new ATOM 0 HG2 LYS A 90 -2.669 -8.939 -12.734 1.00 13.44 H new ATOM 0 HG3 LYS A 90 -2.154 -8.565 -11.101 1.00 13.44 H new ATOM 0 HD2 LYS A 90 -1.791 -11.203 -12.576 1.00 53.55 H new ATOM 0 HD3 LYS A 90 -0.534 -10.074 -12.112 1.00 53.55 H new ATOM 0 HE2 LYS A 90 -1.136 -10.481 -9.691 1.00 52.53 H new ATOM 0 HE3 LYS A 90 -2.276 -11.703 -10.219 1.00 52.53 H new ATOM 0 HZ1 LYS A 90 -0.169 -12.683 -9.591 1.00 40.22 H new ATOM 0 HZ2 LYS A 90 -0.448 -12.923 -11.248 1.00 40.22 H new ATOM 0 HZ3 LYS A 90 0.656 -11.739 -10.736 1.00 40.22 H new ATOM 1403 N ALA A 91 -5.116 -7.450 -9.201 1.00 64.30 N ATOM 1404 CA ALA A 91 -4.883 -6.280 -8.347 1.00 24.23 C ATOM 1405 C ALA A 91 -3.964 -6.615 -7.164 1.00 70.40 C ATOM 1406 O ALA A 91 -4.063 -7.687 -6.567 1.00 34.21 O ATOM 1407 CB ALA A 91 -6.212 -5.722 -7.843 1.00 13.52 C ATOM 0 H ALA A 91 -5.704 -8.168 -8.778 1.00 64.30 H new ATOM 0 HA ALA A 91 -4.382 -5.523 -8.951 1.00 24.23 H new ATOM 0 HB1 ALA A 91 -6.026 -4.854 -7.210 1.00 13.52 H new ATOM 0 HB2 ALA A 91 -6.828 -5.426 -8.692 1.00 13.52 H new ATOM 0 HB3 ALA A 91 -6.732 -6.487 -7.266 1.00 13.52 H new ATOM 1413 N LEU A 92 -3.072 -5.689 -6.835 1.00 2.21 N ATOM 1414 CA LEU A 92 -2.148 -5.859 -5.710 1.00 3.24 C ATOM 1415 C LEU A 92 -2.821 -5.496 -4.375 1.00 13.10 C ATOM 1416 O LEU A 92 -3.197 -4.343 -4.150 1.00 15.22 O ATOM 1417 CB LEU A 92 -0.894 -4.994 -5.929 1.00 70.15 C ATOM 1418 CG LEU A 92 0.154 -5.048 -4.805 1.00 15.01 C ATOM 1419 CD1 LEU A 92 0.819 -6.424 -4.739 1.00 62.53 C ATOM 1420 CD2 LEU A 92 1.202 -3.952 -4.994 1.00 13.12 C ATOM 0 H LEU A 92 -2.965 -4.805 -7.333 1.00 2.21 H new ATOM 0 HA LEU A 92 -1.857 -6.908 -5.662 1.00 3.24 H new ATOM 0 HB2 LEU A 92 -0.419 -5.304 -6.860 1.00 70.15 H new ATOM 0 HB3 LEU A 92 -1.207 -3.958 -6.060 1.00 70.15 H new ATOM 0 HG LEU A 92 -0.358 -4.876 -3.858 1.00 15.01 H new ATOM 0 HD11 LEU A 92 1.556 -6.434 -3.936 1.00 62.53 H new ATOM 0 HD12 LEU A 92 0.062 -7.185 -4.547 1.00 62.53 H new ATOM 0 HD13 LEU A 92 1.314 -6.635 -5.687 1.00 62.53 H new ATOM 0 HD21 LEU A 92 1.935 -4.007 -4.189 1.00 13.12 H new ATOM 0 HD22 LEU A 92 1.704 -4.090 -5.952 1.00 13.12 H new ATOM 0 HD23 LEU A 92 0.716 -2.977 -4.976 1.00 13.12 H new ATOM 1432 N TYR A 93 -2.978 -6.487 -3.500 1.00 52.20 N ATOM 1433 CA TYR A 93 -3.561 -6.270 -2.169 1.00 51.01 C ATOM 1434 C TYR A 93 -2.476 -6.199 -1.087 1.00 52.13 C ATOM 1435 O TYR A 93 -1.552 -7.017 -1.051 1.00 51.32 O ATOM 1436 CB TYR A 93 -4.581 -7.368 -1.837 1.00 65.41 C ATOM 1437 CG TYR A 93 -5.867 -7.262 -2.639 1.00 35.14 C ATOM 1438 CD1 TYR A 93 -5.907 -7.603 -3.987 1.00 2.34 C ATOM 1439 CD2 TYR A 93 -7.042 -6.815 -2.042 1.00 32.22 C ATOM 1440 CE1 TYR A 93 -7.079 -7.502 -4.714 1.00 20.41 C ATOM 1441 CE2 TYR A 93 -8.217 -6.713 -2.762 1.00 45.21 C ATOM 1442 CZ TYR A 93 -8.230 -7.058 -4.099 1.00 70.24 C ATOM 1443 OH TYR A 93 -9.400 -6.957 -4.819 1.00 23.45 O ATOM 0 H TYR A 93 -2.710 -7.453 -3.686 1.00 52.20 H new ATOM 0 HA TYR A 93 -4.078 -5.310 -2.187 1.00 51.01 H new ATOM 0 HB2 TYR A 93 -4.127 -8.342 -2.020 1.00 65.41 H new ATOM 0 HB3 TYR A 93 -4.820 -7.322 -0.774 1.00 65.41 H new ATOM 0 HD1 TYR A 93 -5.008 -7.952 -4.474 1.00 2.34 H new ATOM 0 HD2 TYR A 93 -7.035 -6.543 -0.997 1.00 32.22 H new ATOM 0 HE1 TYR A 93 -7.092 -7.770 -5.760 1.00 20.41 H new ATOM 0 HE2 TYR A 93 -9.120 -6.366 -2.282 1.00 45.21 H new ATOM 0 HH TYR A 93 -10.116 -6.630 -4.235 1.00 23.45 H new ATOM 1453 N LEU A 94 -2.610 -5.207 -0.210 1.00 11.32 N ATOM 1454 CA LEU A 94 -1.629 -4.933 0.843 1.00 12.00 C ATOM 1455 C LEU A 94 -2.302 -4.956 2.222 1.00 72.44 C ATOM 1456 O LEU A 94 -3.404 -4.436 2.384 1.00 34.02 O ATOM 1457 CB LEU A 94 -1.013 -3.539 0.619 1.00 32.44 C ATOM 1458 CG LEU A 94 -0.514 -3.252 -0.808 1.00 5.21 C ATOM 1459 CD1 LEU A 94 -0.030 -1.810 -0.933 1.00 72.32 C ATOM 1460 CD2 LEU A 94 0.584 -4.228 -1.214 1.00 51.34 C ATOM 0 H LEU A 94 -3.404 -4.567 -0.208 1.00 11.32 H new ATOM 0 HA LEU A 94 -0.856 -5.700 0.805 1.00 12.00 H new ATOM 0 HB2 LEU A 94 -1.757 -2.787 0.882 1.00 32.44 H new ATOM 0 HB3 LEU A 94 -0.177 -3.416 1.308 1.00 32.44 H new ATOM 0 HG LEU A 94 -1.353 -3.391 -1.489 1.00 5.21 H new ATOM 0 HD11 LEU A 94 0.318 -1.630 -1.950 1.00 72.32 H new ATOM 0 HD12 LEU A 94 -0.850 -1.130 -0.704 1.00 72.32 H new ATOM 0 HD13 LEU A 94 0.789 -1.639 -0.234 1.00 72.32 H new ATOM 0 HD21 LEU A 94 0.917 -4.001 -2.227 1.00 51.34 H new ATOM 0 HD22 LEU A 94 1.425 -4.136 -0.527 1.00 51.34 H new ATOM 0 HD23 LEU A 94 0.197 -5.246 -1.179 1.00 51.34 H new ATOM 1472 N ARG A 95 -1.650 -5.545 3.219 1.00 60.34 N ATOM 1473 CA ARG A 95 -2.178 -5.502 4.590 1.00 42.03 C ATOM 1474 C ARG A 95 -1.063 -5.310 5.624 1.00 53.24 C ATOM 1475 O ARG A 95 0.084 -5.702 5.403 1.00 11.54 O ATOM 1476 CB ARG A 95 -2.992 -6.763 4.917 1.00 24.23 C ATOM 1477 CG ARG A 95 -2.185 -8.054 4.950 1.00 22.24 C ATOM 1478 CD ARG A 95 -3.022 -9.215 5.480 1.00 15.25 C ATOM 1479 NE ARG A 95 -3.504 -8.962 6.841 1.00 13.14 N ATOM 1480 CZ ARG A 95 -4.559 -9.522 7.374 1.00 63.53 C ATOM 1481 NH1 ARG A 95 -5.270 -10.369 6.700 1.00 20.44 N ATOM 1482 NH2 ARG A 95 -4.901 -9.219 8.587 1.00 32.35 N ATOM 0 H ARG A 95 -0.770 -6.051 3.114 1.00 60.34 H new ATOM 0 HA ARG A 95 -2.841 -4.639 4.644 1.00 42.03 H new ATOM 0 HB2 ARG A 95 -3.473 -6.627 5.886 1.00 24.23 H new ATOM 0 HB3 ARG A 95 -3.787 -6.867 4.178 1.00 24.23 H new ATOM 0 HG2 ARG A 95 -1.827 -8.288 3.947 1.00 22.24 H new ATOM 0 HG3 ARG A 95 -1.305 -7.920 5.579 1.00 22.24 H new ATOM 0 HD2 ARG A 95 -3.872 -9.382 4.819 1.00 15.25 H new ATOM 0 HD3 ARG A 95 -2.426 -10.127 5.469 1.00 15.25 H new ATOM 0 HE ARG A 95 -2.979 -8.301 7.414 1.00 13.14 H new ATOM 0 HH11 ARG A 95 -5.009 -10.606 5.743 1.00 20.44 H new ATOM 0 HH12 ARG A 95 -6.091 -10.799 7.126 1.00 20.44 H new ATOM 0 HH21 ARG A 95 -4.348 -8.547 9.120 1.00 32.35 H new ATOM 0 HH22 ARG A 95 -5.723 -9.652 9.009 1.00 32.35 H new ATOM 1496 N ALA A 96 -1.412 -4.695 6.753 1.00 20.41 N ATOM 1497 CA ALA A 96 -0.446 -4.428 7.826 1.00 74.42 C ATOM 1498 C ALA A 96 0.156 -5.724 8.384 1.00 71.33 C ATOM 1499 O ALA A 96 -0.525 -6.749 8.478 1.00 45.30 O ATOM 1500 CB ALA A 96 -1.114 -3.636 8.944 1.00 41.21 C ATOM 0 H ALA A 96 -2.358 -4.370 6.952 1.00 20.41 H new ATOM 0 HA ALA A 96 0.369 -3.841 7.402 1.00 74.42 H new ATOM 0 HB1 ALA A 96 -0.390 -3.443 9.736 1.00 41.21 H new ATOM 0 HB2 ALA A 96 -1.482 -2.689 8.549 1.00 41.21 H new ATOM 0 HB3 ALA A 96 -1.948 -4.209 9.348 1.00 41.21 H new ATOM 1506 N LYS A 97 1.425 -5.669 8.785 1.00 53.14 N ATOM 1507 CA LYS A 97 2.113 -6.856 9.294 1.00 12.43 C ATOM 1508 C LYS A 97 1.697 -7.177 10.738 1.00 5.30 C ATOM 1509 O LYS A 97 2.203 -6.587 11.699 1.00 41.21 O ATOM 1510 CB LYS A 97 3.643 -6.673 9.212 1.00 64.23 C ATOM 1511 CG LYS A 97 4.447 -7.779 9.906 1.00 51.54 C ATOM 1512 CD LYS A 97 4.277 -9.142 9.232 1.00 14.04 C ATOM 1513 CE LYS A 97 5.063 -9.241 7.929 1.00 72.04 C ATOM 1514 NZ LYS A 97 6.525 -9.083 8.151 1.00 72.14 N ATOM 0 H LYS A 97 1.995 -4.823 8.768 1.00 53.14 H new ATOM 0 HA LYS A 97 1.821 -7.697 8.665 1.00 12.43 H new ATOM 0 HB2 LYS A 97 3.937 -6.630 8.163 1.00 64.23 H new ATOM 0 HB3 LYS A 97 3.907 -5.714 9.657 1.00 64.23 H new ATOM 0 HG2 LYS A 97 5.503 -7.508 9.908 1.00 51.54 H new ATOM 0 HG3 LYS A 97 4.134 -7.851 10.948 1.00 51.54 H new ATOM 0 HD2 LYS A 97 4.606 -9.926 9.914 1.00 14.04 H new ATOM 0 HD3 LYS A 97 3.220 -9.317 9.031 1.00 14.04 H new ATOM 0 HE2 LYS A 97 4.869 -10.206 7.460 1.00 72.04 H new ATOM 0 HE3 LYS A 97 4.716 -8.474 7.236 1.00 72.04 H new ATOM 0 HZ1 LYS A 97 7.043 -9.466 7.335 1.00 72.14 H new ATOM 0 HZ2 LYS A 97 6.752 -8.074 8.263 1.00 72.14 H new ATOM 0 HZ3 LYS A 97 6.803 -9.598 9.010 1.00 72.14 H new ATOM 1528 N LEU A 98 0.754 -8.104 10.875 1.00 42.23 N ATOM 1529 CA LEU A 98 0.434 -8.696 12.174 1.00 11.05 C ATOM 1530 C LEU A 98 1.277 -9.960 12.352 1.00 12.31 C ATOM 1531 O LEU A 98 0.959 -11.019 11.810 1.00 21.30 O ATOM 1532 CB LEU A 98 -1.064 -9.027 12.270 1.00 0.34 C ATOM 1533 CG LEU A 98 -2.013 -7.823 12.129 1.00 20.42 C ATOM 1534 CD1 LEU A 98 -3.472 -8.271 12.191 1.00 55.33 C ATOM 1535 CD2 LEU A 98 -1.723 -6.774 13.201 1.00 54.14 C ATOM 0 H LEU A 98 0.195 -8.464 10.101 1.00 42.23 H new ATOM 0 HA LEU A 98 0.663 -7.984 12.967 1.00 11.05 H new ATOM 0 HB2 LEU A 98 -1.309 -9.755 11.496 1.00 0.34 H new ATOM 0 HB3 LEU A 98 -1.253 -9.507 13.230 1.00 0.34 H new ATOM 0 HG LEU A 98 -1.839 -7.368 11.154 1.00 20.42 H new ATOM 0 HD11 LEU A 98 -4.124 -7.403 12.089 1.00 55.33 H new ATOM 0 HD12 LEU A 98 -3.672 -8.972 11.381 1.00 55.33 H new ATOM 0 HD13 LEU A 98 -3.663 -8.758 13.147 1.00 55.33 H new ATOM 0 HD21 LEU A 98 -2.406 -5.933 13.081 1.00 54.14 H new ATOM 0 HD22 LEU A 98 -1.860 -7.215 14.188 1.00 54.14 H new ATOM 0 HD23 LEU A 98 -0.696 -6.424 13.100 1.00 54.14 H new ATOM 1547 N GLU A 99 2.365 -9.833 13.097 1.00 65.11 N ATOM 1548 CA GLU A 99 3.387 -10.875 13.149 1.00 20.12 C ATOM 1549 C GLU A 99 3.374 -11.616 14.491 1.00 32.04 C ATOM 1550 O GLU A 99 3.506 -11.007 15.555 1.00 43.03 O ATOM 1551 CB GLU A 99 4.757 -10.234 12.886 1.00 32.31 C ATOM 1552 CG GLU A 99 5.885 -11.223 12.624 1.00 23.34 C ATOM 1553 CD GLU A 99 7.118 -10.550 12.035 1.00 5.24 C ATOM 1554 OE1 GLU A 99 7.163 -10.358 10.797 1.00 61.25 O ATOM 1555 OE2 GLU A 99 8.046 -10.208 12.802 1.00 62.31 O ATOM 0 H GLU A 99 2.566 -9.018 13.676 1.00 65.11 H new ATOM 0 HA GLU A 99 3.175 -11.619 12.381 1.00 20.12 H new ATOM 0 HB2 GLU A 99 4.672 -9.566 12.029 1.00 32.31 H new ATOM 0 HB3 GLU A 99 5.025 -9.618 13.744 1.00 32.31 H new ATOM 0 HG2 GLU A 99 6.155 -11.719 13.557 1.00 23.34 H new ATOM 0 HG3 GLU A 99 5.535 -11.997 11.941 1.00 23.34 H new ATOM 1562 N HIS A 100 3.207 -12.937 14.432 1.00 62.42 N ATOM 1563 CA HIS A 100 3.181 -13.767 15.641 1.00 21.12 C ATOM 1564 C HIS A 100 4.576 -13.826 16.282 1.00 13.45 C ATOM 1565 O HIS A 100 5.488 -14.468 15.759 1.00 34.44 O ATOM 1566 CB HIS A 100 2.678 -15.178 15.302 1.00 55.35 C ATOM 1567 CG HIS A 100 1.347 -15.179 14.613 1.00 62.32 C ATOM 1568 ND1 HIS A 100 1.190 -15.464 13.273 1.00 64.21 N ATOM 1569 CD2 HIS A 100 0.106 -14.914 15.085 1.00 15.21 C ATOM 1570 CE1 HIS A 100 -0.085 -15.370 12.953 1.00 4.40 C ATOM 1571 NE2 HIS A 100 -0.763 -15.040 14.031 1.00 21.52 N ATOM 0 H HIS A 100 3.088 -13.457 13.563 1.00 62.42 H new ATOM 0 HA HIS A 100 2.496 -13.319 16.360 1.00 21.12 H new ATOM 0 HB2 HIS A 100 3.410 -15.675 14.665 1.00 55.35 H new ATOM 0 HB3 HIS A 100 2.606 -15.761 16.220 1.00 55.35 H new ATOM 0 HD2 HIS A 100 -0.151 -14.652 16.101 1.00 15.21 H new ATOM 0 HE1 HIS A 100 -0.503 -15.536 11.971 1.00 4.40 H new ATOM 0 HE2 HIS A 100 -1.772 -14.900 14.076 1.00 21.52 H new ATOM 1580 N HIS A 101 4.733 -13.150 17.416 1.00 22.11 N ATOM 1581 CA HIS A 101 6.046 -12.960 18.035 1.00 2.00 C ATOM 1582 C HIS A 101 6.258 -13.871 19.257 1.00 11.14 C ATOM 1583 O HIS A 101 5.959 -13.489 20.387 1.00 75.41 O ATOM 1584 CB HIS A 101 6.210 -11.485 18.425 1.00 41.14 C ATOM 1585 CG HIS A 101 7.561 -11.143 18.979 1.00 35.25 C ATOM 1586 ND1 HIS A 101 8.668 -10.922 18.186 1.00 33.23 N ATOM 1587 CD2 HIS A 101 7.983 -10.983 20.257 1.00 25.14 C ATOM 1588 CE1 HIS A 101 9.707 -10.644 18.946 1.00 24.30 C ATOM 1589 NE2 HIS A 101 9.318 -10.672 20.204 1.00 2.40 N ATOM 0 H HIS A 101 3.963 -12.721 17.930 1.00 22.11 H new ATOM 0 HA HIS A 101 6.806 -13.239 17.306 1.00 2.00 H new ATOM 0 HB2 HIS A 101 6.022 -10.866 17.548 1.00 41.14 H new ATOM 0 HB3 HIS A 101 5.451 -11.230 19.164 1.00 41.14 H new ATOM 0 HD2 HIS A 101 7.382 -11.082 21.149 1.00 25.14 H new ATOM 0 HE1 HIS A 101 10.707 -10.430 18.597 1.00 24.30 H new ATOM 0 HE2 HIS A 101 9.915 -10.491 21.011 1.00 2.40 H new ATOM 1598 N HIS A 102 6.751 -15.084 19.000 1.00 31.54 N ATOM 1599 CA HIS A 102 7.195 -16.022 20.048 1.00 53.30 C ATOM 1600 C HIS A 102 6.181 -16.186 21.203 1.00 60.13 C ATOM 1601 O HIS A 102 6.424 -15.724 22.319 1.00 74.33 O ATOM 1602 CB HIS A 102 8.558 -15.569 20.597 1.00 72.31 C ATOM 1603 CG HIS A 102 9.203 -16.553 21.523 1.00 11.31 C ATOM 1604 ND1 HIS A 102 8.966 -16.577 22.877 1.00 35.32 N ATOM 1605 CD2 HIS A 102 10.090 -17.547 21.284 1.00 2.25 C ATOM 1606 CE1 HIS A 102 9.673 -17.538 23.431 1.00 55.03 C ATOM 1607 NE2 HIS A 102 10.367 -18.143 22.490 1.00 75.42 N ATOM 0 H HIS A 102 6.857 -15.451 18.054 1.00 31.54 H new ATOM 0 HA HIS A 102 7.279 -17.003 19.580 1.00 53.30 H new ATOM 0 HB2 HIS A 102 9.230 -15.380 19.760 1.00 72.31 H new ATOM 0 HB3 HIS A 102 8.429 -14.623 21.122 1.00 72.31 H new ATOM 0 HD1 HIS A 102 8.338 -15.946 23.376 1.00 35.32 H new ATOM 0 HD2 HIS A 102 10.503 -17.820 20.324 1.00 2.25 H new ATOM 0 HE1 HIS A 102 9.683 -17.789 24.481 1.00 55.03 H new ATOM 1616 N HIS A 103 5.055 -16.848 20.934 1.00 74.35 N ATOM 1617 CA HIS A 103 4.032 -17.100 21.965 1.00 2.24 C ATOM 1618 C HIS A 103 3.163 -18.324 21.631 1.00 44.12 C ATOM 1619 O HIS A 103 2.664 -18.467 20.514 1.00 73.15 O ATOM 1620 CB HIS A 103 3.136 -15.865 22.168 1.00 30.43 C ATOM 1621 CG HIS A 103 3.737 -14.828 23.072 1.00 13.10 C ATOM 1622 ND1 HIS A 103 4.415 -13.718 22.616 1.00 23.15 N ATOM 1623 CD2 HIS A 103 3.759 -14.743 24.423 1.00 63.34 C ATOM 1624 CE1 HIS A 103 4.827 -13.004 23.642 1.00 50.54 C ATOM 1625 NE2 HIS A 103 4.445 -13.603 24.746 1.00 53.54 N ATOM 0 H HIS A 103 4.823 -17.221 20.014 1.00 74.35 H new ATOM 0 HA HIS A 103 4.567 -17.309 22.891 1.00 2.24 H new ATOM 0 HB2 HIS A 103 2.929 -15.413 21.198 1.00 30.43 H new ATOM 0 HB3 HIS A 103 2.179 -16.185 22.581 1.00 30.43 H new ATOM 0 HD1 HIS A 103 4.573 -13.486 21.635 1.00 23.15 H new ATOM 0 HD2 HIS A 103 3.318 -15.444 25.116 1.00 63.34 H new ATOM 0 HE1 HIS A 103 5.385 -12.081 23.585 1.00 50.54 H new ATOM 1634 N HIS A 104 2.976 -19.197 22.620 1.00 51.43 N ATOM 1635 CA HIS A 104 2.135 -20.392 22.471 1.00 51.32 C ATOM 1636 C HIS A 104 1.069 -20.443 23.578 1.00 22.11 C ATOM 1637 O HIS A 104 1.399 -20.378 24.762 1.00 1.42 O ATOM 1638 CB HIS A 104 3.004 -21.660 22.520 1.00 25.42 C ATOM 1639 CG HIS A 104 2.225 -22.938 22.386 1.00 53.34 C ATOM 1640 ND1 HIS A 104 1.604 -23.554 23.452 1.00 61.12 N ATOM 1641 CD2 HIS A 104 1.960 -23.712 21.305 1.00 42.34 C ATOM 1642 CE1 HIS A 104 0.993 -24.646 23.037 1.00 54.53 C ATOM 1643 NE2 HIS A 104 1.194 -24.764 21.742 1.00 75.44 N ATOM 0 H HIS A 104 3.399 -19.100 23.543 1.00 51.43 H new ATOM 0 HA HIS A 104 1.632 -20.342 21.505 1.00 51.32 H new ATOM 0 HB2 HIS A 104 3.745 -21.612 21.722 1.00 25.42 H new ATOM 0 HB3 HIS A 104 3.552 -21.677 23.462 1.00 25.42 H new ATOM 0 HD2 HIS A 104 2.289 -23.535 20.292 1.00 42.34 H new ATOM 0 HE1 HIS A 104 0.425 -25.327 23.654 1.00 54.53 H new ATOM 0 HE2 HIS A 104 0.837 -25.518 21.155 1.00 75.44 H new ATOM 1652 N HIS A 105 -0.202 -20.565 23.194 1.00 73.50 N ATOM 1653 CA HIS A 105 -1.300 -20.592 24.176 1.00 65.10 C ATOM 1654 C HIS A 105 -1.231 -21.835 25.096 1.00 65.24 C ATOM 1655 O HIS A 105 -1.041 -21.660 26.320 1.00 38.08 O ATOM 1656 CB HIS A 105 -2.675 -20.485 23.483 1.00 23.14 C ATOM 1657 CG HIS A 105 -2.935 -21.493 22.396 1.00 64.01 C ATOM 1658 ND1 HIS A 105 -2.823 -21.200 21.054 1.00 34.45 N ATOM 1659 CD2 HIS A 105 -3.346 -22.782 22.458 1.00 35.51 C ATOM 1660 CE1 HIS A 105 -3.149 -22.261 20.344 1.00 12.14 C ATOM 1661 NE2 HIS A 105 -3.469 -23.233 21.169 1.00 30.21 N ATOM 1662 OXT HIS A 105 -1.339 -22.974 24.591 1.00 38.08 O ATOM 0 H HIS A 105 -0.501 -20.646 22.222 1.00 73.50 H new ATOM 0 HA HIS A 105 -1.176 -19.717 24.814 1.00 65.10 H new ATOM 0 HB2 HIS A 105 -3.452 -20.585 24.240 1.00 23.14 H new ATOM 0 HB3 HIS A 105 -2.771 -19.486 23.058 1.00 23.14 H new ATOM 0 HD2 HIS A 105 -3.541 -23.349 23.356 1.00 35.51 H new ATOM 0 HE1 HIS A 105 -3.153 -22.322 19.266 1.00 12.14 H new ATOM 0 HE2 HIS A 105 -3.761 -24.171 20.895 1.00 30.21 H new TER 1671 HIS A 105