USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 871 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 25 SER OG : rot 3:sc= 1.1 USER MOD Set 1.2: A 94 HIS : no HE2:sc= -1.18 K(o=-0.088,f=-6.1!) USER MOD Set 2.1: A 18 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.9) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 16 MET CE :methyl 149:sc= -3.9! (180deg=-5.18!) USER MOD Set 3.2: A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 0.97 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0107 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS :FLIP no HE2:sc= 0.0851 F(o=-0.51,f=0.085) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 27:sc= -3.24! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -2.87 X(o=-2.9,f=-2.7) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.323 K(o=-0.32,f=-1.5!) USER MOD Single : A 60 SER OG : rot 30:sc= 0.238 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.407 USER MOD Single : A 70 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.081) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 159:sc= -5.07! (180deg=-7.32!) USER MOD Single : A 100 THR OG1 : rot -139:sc= 0.108! USER MOD Single : A 105 ASN : amide:sc=-0.00511 X(o=-0.0051,f=-0.071) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc=-0.00337 X(o=-0.0034,f=0) USER MOD Single : A 109 GLN : amide:sc= -0.384 K(o=-0.38,f=-2.9!) USER MOD Single : A 111 SER OG : rot -14:sc= 1.98 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.164 -24.336 -5.944 1.00 0.00 N ATOM 2 CA GLY A 1 -37.805 -24.037 -6.364 1.00 0.00 C ATOM 3 C GLY A 1 -37.740 -22.698 -7.100 1.00 0.00 C ATOM 4 O GLY A 1 -37.711 -22.662 -8.329 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.181 -25.249 -5.447 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.502 -23.588 -5.305 1.00 0.00 H new ATOM 0 H3 GLY A 1 -39.783 -24.385 -6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.149 -24.010 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.439 -24.831 -7.014 1.00 0.00 H new ATOM 8 N SER A 2 -37.719 -21.629 -6.317 1.00 0.00 N ATOM 9 CA SER A 2 -37.659 -20.291 -6.879 1.00 0.00 C ATOM 10 C SER A 2 -37.204 -19.294 -5.811 1.00 0.00 C ATOM 11 O SER A 2 -38.029 -18.692 -5.127 1.00 0.00 O ATOM 12 CB SER A 2 -39.014 -19.872 -7.453 1.00 0.00 C ATOM 13 OG SER A 2 -40.021 -19.803 -6.447 1.00 0.00 O ATOM 0 H SER A 2 -37.742 -21.663 -5.298 1.00 0.00 H new ATOM 0 HA SER A 2 -36.936 -20.296 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.918 -18.900 -7.937 1.00 0.00 H new ATOM 0 HB3 SER A 2 -39.318 -20.583 -8.222 1.00 0.00 H new ATOM 0 HG SER A 2 -39.680 -19.302 -5.677 1.00 0.00 H new ATOM 19 N SER A 3 -35.891 -19.152 -5.701 1.00 0.00 N ATOM 20 CA SER A 3 -35.316 -18.240 -4.727 1.00 0.00 C ATOM 21 C SER A 3 -33.807 -18.121 -4.949 1.00 0.00 C ATOM 22 O SER A 3 -33.295 -17.027 -5.184 1.00 0.00 O ATOM 23 CB SER A 3 -35.608 -18.703 -3.299 1.00 0.00 C ATOM 24 OG SER A 3 -35.245 -20.065 -3.094 1.00 0.00 O ATOM 0 H SER A 3 -35.209 -19.653 -6.270 1.00 0.00 H new ATOM 0 HA SER A 3 -35.775 -17.261 -4.863 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.064 -18.073 -2.595 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.669 -18.575 -3.086 1.00 0.00 H new ATOM 0 HG SER A 3 -35.446 -20.321 -2.170 1.00 0.00 H new ATOM 30 N GLY A 4 -33.137 -19.261 -4.866 1.00 0.00 N ATOM 31 CA GLY A 4 -31.697 -19.298 -5.055 1.00 0.00 C ATOM 32 C GLY A 4 -31.032 -20.208 -4.019 1.00 0.00 C ATOM 33 O GLY A 4 -31.693 -21.047 -3.410 1.00 0.00 O ATOM 0 H GLY A 4 -33.565 -20.166 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.467 -19.655 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.290 -18.290 -4.974 1.00 0.00 H new ATOM 37 N SER A 5 -29.733 -20.009 -3.852 1.00 0.00 N ATOM 38 CA SER A 5 -28.971 -20.801 -2.901 1.00 0.00 C ATOM 39 C SER A 5 -27.710 -20.043 -2.481 1.00 0.00 C ATOM 40 O SER A 5 -26.654 -20.201 -3.091 1.00 0.00 O ATOM 41 CB SER A 5 -28.600 -22.163 -3.491 1.00 0.00 C ATOM 42 OG SER A 5 -29.157 -23.239 -2.741 1.00 0.00 O ATOM 0 H SER A 5 -29.189 -19.311 -4.359 1.00 0.00 H new ATOM 0 HA SER A 5 -29.593 -20.973 -2.023 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.951 -22.219 -4.521 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.515 -22.263 -3.518 1.00 0.00 H new ATOM 0 HG SER A 5 -28.899 -24.091 -3.150 1.00 0.00 H new ATOM 48 N SER A 6 -27.862 -19.236 -1.441 1.00 0.00 N ATOM 49 CA SER A 6 -26.749 -18.453 -0.932 1.00 0.00 C ATOM 50 C SER A 6 -26.274 -17.464 -1.999 1.00 0.00 C ATOM 51 O SER A 6 -26.180 -17.812 -3.175 1.00 0.00 O ATOM 52 CB SER A 6 -25.595 -19.357 -0.495 1.00 0.00 C ATOM 53 OG SER A 6 -25.959 -20.195 0.599 1.00 0.00 O ATOM 0 H SER A 6 -28.739 -19.108 -0.937 1.00 0.00 H new ATOM 0 HA SER A 6 -27.092 -17.898 -0.058 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.280 -19.975 -1.336 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.740 -18.743 -0.213 1.00 0.00 H new ATOM 0 HG SER A 6 -25.196 -20.758 0.848 1.00 0.00 H new ATOM 59 N GLY A 7 -25.986 -16.251 -1.549 1.00 0.00 N ATOM 60 CA GLY A 7 -25.523 -15.210 -2.450 1.00 0.00 C ATOM 61 C GLY A 7 -23.995 -15.149 -2.478 1.00 0.00 C ATOM 62 O GLY A 7 -23.325 -15.987 -1.876 1.00 0.00 O ATOM 0 H GLY A 7 -26.064 -15.967 -0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.901 -15.399 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.923 -14.246 -2.134 1.00 0.00 H new ATOM 66 N MET A 8 -23.487 -14.148 -3.183 1.00 0.00 N ATOM 67 CA MET A 8 -22.050 -13.967 -3.297 1.00 0.00 C ATOM 68 C MET A 8 -21.602 -12.682 -2.597 1.00 0.00 C ATOM 69 O MET A 8 -20.750 -12.718 -1.711 1.00 0.00 O ATOM 70 CB MET A 8 -21.658 -13.907 -4.775 1.00 0.00 C ATOM 71 CG MET A 8 -21.156 -15.267 -5.264 1.00 0.00 C ATOM 72 SD MET A 8 -20.331 -15.083 -6.836 1.00 0.00 S ATOM 73 CE MET A 8 -18.945 -16.180 -6.588 1.00 0.00 C ATOM 0 H MET A 8 -24.045 -13.454 -3.681 1.00 0.00 H new ATOM 0 HA MET A 8 -21.557 -14.812 -2.816 1.00 0.00 H new ATOM 0 HB2 MET A 8 -22.517 -13.597 -5.370 1.00 0.00 H new ATOM 0 HB3 MET A 8 -20.882 -13.155 -4.919 1.00 0.00 H new ATOM 0 HG2 MET A 8 -20.471 -15.696 -4.532 1.00 0.00 H new ATOM 0 HG3 MET A 8 -21.992 -15.959 -5.362 1.00 0.00 H new ATOM 0 HE1 MET A 8 -18.321 -16.185 -7.481 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.357 -15.837 -5.736 1.00 0.00 H new ATOM 0 HE3 MET A 8 -19.310 -17.189 -6.394 1.00 0.00 H new ATOM 83 N SER A 9 -22.197 -11.577 -3.023 1.00 0.00 N ATOM 84 CA SER A 9 -21.870 -10.283 -2.448 1.00 0.00 C ATOM 85 C SER A 9 -20.386 -9.976 -2.661 1.00 0.00 C ATOM 86 O SER A 9 -19.582 -10.886 -2.855 1.00 0.00 O ATOM 87 CB SER A 9 -22.213 -10.239 -0.958 1.00 0.00 C ATOM 88 OG SER A 9 -23.465 -9.603 -0.717 1.00 0.00 O ATOM 0 H SER A 9 -22.903 -11.551 -3.759 1.00 0.00 H new ATOM 0 HA SER A 9 -22.468 -9.524 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 9 -22.240 -11.254 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 9 -21.427 -9.708 -0.421 1.00 0.00 H new ATOM 0 HG SER A 9 -23.649 -9.596 0.246 1.00 0.00 H new ATOM 94 N SER A 10 -20.069 -8.690 -2.617 1.00 0.00 N ATOM 95 CA SER A 10 -18.696 -8.252 -2.802 1.00 0.00 C ATOM 96 C SER A 10 -17.887 -8.512 -1.529 1.00 0.00 C ATOM 97 O SER A 10 -18.225 -8.004 -0.461 1.00 0.00 O ATOM 98 CB SER A 10 -18.637 -6.769 -3.175 1.00 0.00 C ATOM 99 OG SER A 10 -18.533 -6.576 -4.583 1.00 0.00 O ATOM 0 H SER A 10 -20.739 -7.938 -2.456 1.00 0.00 H new ATOM 0 HA SER A 10 -18.262 -8.823 -3.623 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.531 -6.266 -2.805 1.00 0.00 H new ATOM 0 HB3 SER A 10 -17.783 -6.305 -2.681 1.00 0.00 H new ATOM 0 HG SER A 10 -18.500 -5.617 -4.780 1.00 0.00 H new ATOM 105 N HIS A 11 -16.835 -9.302 -1.686 1.00 0.00 N ATOM 106 CA HIS A 11 -15.976 -9.635 -0.562 1.00 0.00 C ATOM 107 C HIS A 11 -14.579 -9.994 -1.074 1.00 0.00 C ATOM 108 O HIS A 11 -14.433 -10.506 -2.182 1.00 0.00 O ATOM 109 CB HIS A 11 -16.599 -10.744 0.288 1.00 0.00 C ATOM 110 CG HIS A 11 -15.953 -10.917 1.642 1.00 0.00 C ATOM 111 ND1 HIS A 11 -14.909 -11.699 2.038 1.00 0.00 N flip ATOM 112 CD2 HIS A 11 -16.381 -10.236 2.768 1.00 0.00 C flip ATOM 113 CE1 HIS A 11 -14.708 -11.505 3.335 1.00 0.00 C flip ATOM 114 NE2 HIS A 11 -15.620 -10.599 3.790 1.00 0.00 N flip ATOM 0 H HIS A 11 -16.558 -9.721 -2.574 1.00 0.00 H new ATOM 0 HA HIS A 11 -15.875 -8.769 0.093 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.658 -10.529 0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -16.534 -11.686 -0.257 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -14.373 -12.327 1.439 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -17.196 -9.529 2.807 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -13.947 -11.986 3.932 1.00 0.00 H new ATOM 122 N VAL A 12 -13.589 -9.711 -0.241 1.00 0.00 N ATOM 123 CA VAL A 12 -12.209 -9.997 -0.594 1.00 0.00 C ATOM 124 C VAL A 12 -11.895 -11.458 -0.266 1.00 0.00 C ATOM 125 O VAL A 12 -12.256 -11.950 0.803 1.00 0.00 O ATOM 126 CB VAL A 12 -11.273 -9.012 0.110 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.808 -9.346 -0.179 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.596 -7.571 -0.287 1.00 0.00 C ATOM 0 H VAL A 12 -13.715 -9.286 0.678 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.054 -9.863 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.432 -9.107 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.164 -8.631 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.587 -10.353 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.628 -9.293 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.917 -6.891 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.479 -7.455 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.623 -7.338 -0.007 1.00 0.00 H new ATOM 138 N PRO A 13 -11.210 -12.130 -1.230 1.00 0.00 N ATOM 139 CA PRO A 13 -10.843 -13.525 -1.054 1.00 0.00 C ATOM 140 C PRO A 13 -9.675 -13.666 -0.076 1.00 0.00 C ATOM 141 O PRO A 13 -9.206 -12.676 0.483 1.00 0.00 O ATOM 142 CB PRO A 13 -10.512 -14.024 -2.451 1.00 0.00 C ATOM 143 CG PRO A 13 -10.255 -12.781 -3.287 1.00 0.00 C ATOM 144 CD PRO A 13 -10.766 -11.580 -2.508 1.00 0.00 C ATOM 0 HA PRO A 13 -11.644 -14.118 -0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.636 -14.673 -2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.335 -14.608 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.190 -12.675 -3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.763 -12.856 -4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.982 -10.836 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.584 -11.086 -3.033 1.00 0.00 H new ATOM 152 N ALA A 14 -9.240 -14.905 0.102 1.00 0.00 N ATOM 153 CA ALA A 14 -8.136 -15.188 1.003 1.00 0.00 C ATOM 154 C ALA A 14 -6.874 -15.468 0.184 1.00 0.00 C ATOM 155 O ALA A 14 -5.826 -15.789 0.742 1.00 0.00 O ATOM 156 CB ALA A 14 -8.510 -16.358 1.916 1.00 0.00 C ATOM 0 H ALA A 14 -9.632 -15.724 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.931 -14.328 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.682 -16.571 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.395 -16.098 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.720 -17.240 1.310 1.00 0.00 H new ATOM 162 N ASP A 15 -7.017 -15.336 -1.127 1.00 0.00 N ATOM 163 CA ASP A 15 -5.901 -15.571 -2.028 1.00 0.00 C ATOM 164 C ASP A 15 -5.332 -14.228 -2.489 1.00 0.00 C ATOM 165 O ASP A 15 -4.161 -14.138 -2.853 1.00 0.00 O ATOM 166 CB ASP A 15 -6.350 -16.345 -3.269 1.00 0.00 C ATOM 167 CG ASP A 15 -5.363 -17.406 -3.762 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.173 -17.050 -3.907 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.821 -18.548 -3.982 1.00 0.00 O ATOM 0 H ASP A 15 -7.888 -15.070 -1.586 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.151 -16.152 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.302 -16.829 -3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.530 -15.635 -4.076 1.00 0.00 H new ATOM 174 N MET A 16 -6.188 -13.217 -2.457 1.00 0.00 N ATOM 175 CA MET A 16 -5.784 -11.882 -2.867 1.00 0.00 C ATOM 176 C MET A 16 -5.728 -10.934 -1.667 1.00 0.00 C ATOM 177 O MET A 16 -6.249 -11.248 -0.598 1.00 0.00 O ATOM 178 CB MET A 16 -6.777 -11.343 -3.898 1.00 0.00 C ATOM 179 CG MET A 16 -6.831 -12.245 -5.132 1.00 0.00 C ATOM 180 SD MET A 16 -6.570 -11.277 -6.609 1.00 0.00 S ATOM 181 CE MET A 16 -4.930 -10.651 -6.283 1.00 0.00 C ATOM 0 H MET A 16 -7.159 -13.295 -2.154 1.00 0.00 H new ATOM 0 HA MET A 16 -4.788 -11.942 -3.306 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.769 -11.273 -3.451 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.488 -10.334 -4.193 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.070 -13.022 -5.058 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.797 -12.748 -5.183 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.398 -10.516 -7.225 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.002 -9.694 -5.766 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.387 -11.361 -5.659 1.00 0.00 H new ATOM 191 N ILE A 17 -5.092 -9.792 -1.885 1.00 0.00 N ATOM 192 CA ILE A 17 -4.961 -8.796 -0.835 1.00 0.00 C ATOM 193 C ILE A 17 -5.602 -7.487 -1.298 1.00 0.00 C ATOM 194 O ILE A 17 -5.276 -6.975 -2.368 1.00 0.00 O ATOM 195 CB ILE A 17 -3.497 -8.649 -0.416 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.888 -10.009 -0.068 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.353 -7.646 0.730 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.535 -10.196 -0.757 1.00 0.00 C ATOM 0 H ILE A 17 -4.662 -9.534 -2.773 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.495 -9.114 0.061 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.937 -8.252 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.765 -10.091 1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.568 -10.805 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.303 -7.560 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.724 -6.672 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.929 -7.990 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.124 -11.170 -0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.666 -10.138 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.850 -9.413 -0.432 1.00 0.00 H new ATOM 210 N ASN A 18 -6.504 -6.981 -0.469 1.00 0.00 N ATOM 211 CA ASN A 18 -7.194 -5.740 -0.780 1.00 0.00 C ATOM 212 C ASN A 18 -6.314 -4.557 -0.373 1.00 0.00 C ATOM 213 O ASN A 18 -5.939 -4.428 0.791 1.00 0.00 O ATOM 214 CB ASN A 18 -8.512 -5.636 -0.010 1.00 0.00 C ATOM 215 CG ASN A 18 -9.619 -5.058 -0.894 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.920 -5.562 -1.964 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.205 -3.977 -0.390 1.00 0.00 N ATOM 0 H ASN A 18 -6.773 -7.408 0.418 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.399 -5.727 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.806 -6.622 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.376 -5.004 0.868 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.956 -3.517 -0.905 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.904 -3.607 0.512 1.00 0.00 H new ATOM 224 N LEU A 19 -6.009 -3.722 -1.356 1.00 0.00 N ATOM 225 CA LEU A 19 -5.180 -2.553 -1.116 1.00 0.00 C ATOM 226 C LEU A 19 -6.007 -1.289 -1.357 1.00 0.00 C ATOM 227 O LEU A 19 -6.668 -1.162 -2.387 1.00 0.00 O ATOM 228 CB LEU A 19 -3.902 -2.621 -1.953 1.00 0.00 C ATOM 229 CG LEU A 19 -2.745 -3.419 -1.347 1.00 0.00 C ATOM 230 CD1 LEU A 19 -1.993 -2.589 -0.305 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.237 -4.750 -0.774 1.00 0.00 C ATOM 0 H LEU A 19 -6.321 -3.832 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.851 -2.526 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.149 -3.055 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.558 -1.603 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.038 -3.653 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.176 -3.179 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.590 -1.692 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.676 -2.303 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.395 -5.297 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.976 -4.560 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.691 -5.342 -1.568 1.00 0.00 H new ATOM 243 N ARG A 20 -5.942 -0.384 -0.391 1.00 0.00 N ATOM 244 CA ARG A 20 -6.677 0.866 -0.486 1.00 0.00 C ATOM 245 C ARG A 20 -5.771 1.974 -1.029 1.00 0.00 C ATOM 246 O ARG A 20 -4.877 2.448 -0.329 1.00 0.00 O ATOM 247 CB ARG A 20 -7.225 1.288 0.879 1.00 0.00 C ATOM 248 CG ARG A 20 -8.591 1.962 0.736 1.00 0.00 C ATOM 249 CD ARG A 20 -9.032 2.592 2.059 1.00 0.00 C ATOM 250 NE ARG A 20 -10.509 2.669 2.115 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.188 3.466 2.952 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.527 4.258 3.807 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.528 3.470 2.933 1.00 0.00 N ATOM 0 H ARG A 20 -5.392 -0.492 0.461 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.513 0.708 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.312 0.415 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.526 1.972 1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.543 2.728 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.330 1.229 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.658 2.001 2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.604 3.589 2.157 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.043 2.079 1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.507 4.254 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.044 4.864 4.444 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.031 2.867 2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.045 4.076 3.570 1.00 0.00 H new ATOM 267 N LEU A 21 -6.034 2.353 -2.271 1.00 0.00 N ATOM 268 CA LEU A 21 -5.253 3.396 -2.915 1.00 0.00 C ATOM 269 C LEU A 21 -5.882 4.758 -2.614 1.00 0.00 C ATOM 270 O LEU A 21 -6.924 5.102 -3.171 1.00 0.00 O ATOM 271 CB LEU A 21 -5.102 3.106 -4.410 1.00 0.00 C ATOM 272 CG LEU A 21 -4.131 1.983 -4.781 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.683 2.403 -4.521 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.490 0.685 -4.054 1.00 0.00 C ATOM 0 H LEU A 21 -6.776 1.957 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.240 3.416 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.084 2.858 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.776 4.020 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.224 1.790 -5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.013 1.587 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.446 3.282 -5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.557 2.639 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.784 -0.097 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.443 0.846 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.499 0.380 -4.331 1.00 0.00 H new ATOM 286 N ILE A 22 -5.224 5.496 -1.732 1.00 0.00 N ATOM 287 CA ILE A 22 -5.705 6.812 -1.350 1.00 0.00 C ATOM 288 C ILE A 22 -4.979 7.876 -2.176 1.00 0.00 C ATOM 289 O ILE A 22 -3.784 7.754 -2.438 1.00 0.00 O ATOM 290 CB ILE A 22 -5.575 7.012 0.161 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.157 5.820 0.925 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.208 8.335 0.596 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.899 5.952 2.427 1.00 0.00 C ATOM 0 H ILE A 22 -4.361 5.207 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.768 6.908 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.515 7.066 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.229 5.754 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.713 4.895 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.102 8.452 1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.708 9.161 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.266 8.336 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.323 5.092 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.825 5.993 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.365 6.865 2.797 1.00 0.00 H new ATOM 305 N LEU A 23 -5.733 8.895 -2.562 1.00 0.00 N ATOM 306 CA LEU A 23 -5.176 9.979 -3.353 1.00 0.00 C ATOM 307 C LEU A 23 -4.602 11.045 -2.417 1.00 0.00 C ATOM 308 O LEU A 23 -3.389 11.244 -2.367 1.00 0.00 O ATOM 309 CB LEU A 23 -6.220 10.519 -4.333 1.00 0.00 C ATOM 310 CG LEU A 23 -6.598 9.590 -5.489 1.00 0.00 C ATOM 311 CD1 LEU A 23 -7.715 10.200 -6.339 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.370 9.231 -6.328 1.00 0.00 C ATOM 0 H LEU A 23 -6.724 8.993 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.352 9.617 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.125 10.758 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.847 11.454 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.983 8.661 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.965 9.520 -7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.596 10.363 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.380 11.152 -6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.666 8.570 -7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.932 10.140 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.635 8.726 -5.700 1.00 0.00 H new ATOM 324 N VAL A 24 -5.501 11.702 -1.699 1.00 0.00 N ATOM 325 CA VAL A 24 -5.099 12.743 -0.768 1.00 0.00 C ATOM 326 C VAL A 24 -5.831 12.542 0.561 1.00 0.00 C ATOM 327 O VAL A 24 -6.770 13.272 0.873 1.00 0.00 O ATOM 328 CB VAL A 24 -5.347 14.121 -1.384 1.00 0.00 C ATOM 329 CG1 VAL A 24 -4.417 14.365 -2.574 1.00 0.00 C ATOM 330 CG2 VAL A 24 -6.813 14.284 -1.792 1.00 0.00 C ATOM 0 H VAL A 24 -6.506 11.534 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.030 12.681 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.125 14.872 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.614 15.352 -2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.380 14.312 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.593 13.605 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.962 15.272 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.073 13.521 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.449 14.175 -0.914 1.00 0.00 H new ATOM 340 N SER A 25 -5.373 11.548 1.308 1.00 0.00 N ATOM 341 CA SER A 25 -5.972 11.241 2.595 1.00 0.00 C ATOM 342 C SER A 25 -7.492 11.396 2.515 1.00 0.00 C ATOM 343 O SER A 25 -8.117 11.910 3.441 1.00 0.00 O ATOM 344 CB SER A 25 -5.404 12.141 3.695 1.00 0.00 C ATOM 345 OG SER A 25 -4.206 11.611 4.253 1.00 0.00 O ATOM 0 H SER A 25 -4.593 10.945 1.046 1.00 0.00 H new ATOM 0 HA SER A 25 -5.731 10.208 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.206 13.132 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.147 12.264 4.483 1.00 0.00 H new ATOM 0 HG SER A 25 -3.963 10.787 3.782 1.00 0.00 H new ATOM 351 N GLY A 26 -8.043 10.941 1.399 1.00 0.00 N ATOM 352 CA GLY A 26 -9.478 11.022 1.186 1.00 0.00 C ATOM 353 C GLY A 26 -9.942 9.975 0.171 1.00 0.00 C ATOM 354 O GLY A 26 -9.735 8.779 0.369 1.00 0.00 O ATOM 0 H GLY A 26 -7.521 10.515 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.999 10.872 2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.741 12.019 0.832 1.00 0.00 H new ATOM 358 N LYS A 27 -10.560 10.464 -0.894 1.00 0.00 N ATOM 359 CA LYS A 27 -11.055 9.586 -1.940 1.00 0.00 C ATOM 360 C LYS A 27 -10.034 8.474 -2.192 1.00 0.00 C ATOM 361 O LYS A 27 -8.853 8.747 -2.399 1.00 0.00 O ATOM 362 CB LYS A 27 -11.409 10.391 -3.192 1.00 0.00 C ATOM 363 CG LYS A 27 -12.906 10.706 -3.236 1.00 0.00 C ATOM 364 CD LYS A 27 -13.375 10.942 -4.673 1.00 0.00 C ATOM 365 CE LYS A 27 -14.531 11.943 -4.716 1.00 0.00 C ATOM 366 NZ LYS A 27 -14.100 13.206 -5.356 1.00 0.00 N ATOM 0 H LYS A 27 -10.729 11.457 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.981 9.104 -1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.838 11.319 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.126 9.829 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.468 9.881 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.113 11.590 -2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.545 11.314 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.691 9.997 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.369 11.516 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.884 12.143 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.897 13.874 -5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.315 13.620 -4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.785 13.013 -6.328 1.00 0.00 H new ATOM 380 N THR A 28 -10.527 7.245 -2.167 1.00 0.00 N ATOM 381 CA THR A 28 -9.673 6.091 -2.390 1.00 0.00 C ATOM 382 C THR A 28 -10.428 5.010 -3.166 1.00 0.00 C ATOM 383 O THR A 28 -11.655 5.034 -3.236 1.00 0.00 O ATOM 384 CB THR A 28 -9.157 5.615 -1.030 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.342 4.488 -1.343 1.00 0.00 O ATOM 386 CG2 THR A 28 -10.269 5.038 -0.152 1.00 0.00 C ATOM 0 H THR A 28 -11.508 7.023 -1.996 1.00 0.00 H new ATOM 0 HA THR A 28 -8.813 6.349 -3.008 1.00 0.00 H new ATOM 0 HB THR A 28 -8.679 6.446 -0.512 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.994 4.579 -2.254 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.850 4.715 0.801 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.026 5.802 0.025 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.725 4.185 -0.655 1.00 0.00 H new ATOM 394 N LYS A 29 -9.662 4.088 -3.730 1.00 0.00 N ATOM 395 CA LYS A 29 -10.243 3.000 -4.498 1.00 0.00 C ATOM 396 C LYS A 29 -9.652 1.672 -4.021 1.00 0.00 C ATOM 397 O LYS A 29 -8.440 1.553 -3.853 1.00 0.00 O ATOM 398 CB LYS A 29 -10.066 3.249 -5.997 1.00 0.00 C ATOM 399 CG LYS A 29 -11.361 3.772 -6.623 1.00 0.00 C ATOM 400 CD LYS A 29 -11.962 2.743 -7.582 1.00 0.00 C ATOM 401 CE LYS A 29 -13.476 2.926 -7.704 1.00 0.00 C ATOM 402 NZ LYS A 29 -14.154 1.611 -7.752 1.00 0.00 N ATOM 0 H LYS A 29 -8.644 4.072 -3.670 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.319 2.948 -4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.264 3.969 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.767 2.324 -6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.080 4.006 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.161 4.700 -7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.500 2.842 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.741 1.737 -7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.848 3.503 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.708 3.495 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.181 1.753 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.811 1.073 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.947 1.082 -6.881 1.00 0.00 H new ATOM 416 N GLU A 30 -10.536 0.706 -3.818 1.00 0.00 N ATOM 417 CA GLU A 30 -10.117 -0.609 -3.364 1.00 0.00 C ATOM 418 C GLU A 30 -9.599 -1.437 -4.542 1.00 0.00 C ATOM 419 O GLU A 30 -10.302 -1.616 -5.536 1.00 0.00 O ATOM 420 CB GLU A 30 -11.260 -1.331 -2.647 1.00 0.00 C ATOM 421 CG GLU A 30 -11.589 -0.650 -1.317 1.00 0.00 C ATOM 422 CD GLU A 30 -12.547 -1.506 -0.485 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.546 -1.973 -1.074 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.259 -1.673 0.719 1.00 0.00 O ATOM 0 H GLU A 30 -11.541 0.808 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.305 -0.483 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.145 -1.341 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.984 -2.370 -2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.671 -0.476 -0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.037 0.326 -1.505 1.00 0.00 H new ATOM 431 N PHE A 31 -8.375 -1.919 -4.391 1.00 0.00 N ATOM 432 CA PHE A 31 -7.755 -2.724 -5.430 1.00 0.00 C ATOM 433 C PHE A 31 -7.459 -4.138 -4.926 1.00 0.00 C ATOM 434 O PHE A 31 -7.664 -4.437 -3.750 1.00 0.00 O ATOM 435 CB PHE A 31 -6.436 -2.041 -5.798 1.00 0.00 C ATOM 436 CG PHE A 31 -6.557 -1.026 -6.936 1.00 0.00 C ATOM 437 CD1 PHE A 31 -6.724 -1.455 -8.216 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.499 0.307 -6.668 1.00 0.00 C ATOM 439 CE1 PHE A 31 -6.837 -0.513 -9.272 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.612 1.249 -7.725 1.00 0.00 C ATOM 441 CZ PHE A 31 -6.778 0.819 -9.004 1.00 0.00 C ATOM 0 H PHE A 31 -7.796 -1.768 -3.565 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.425 -2.805 -6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.041 -1.537 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.710 -2.804 -6.081 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.771 -2.513 -8.429 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.367 0.648 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.970 -0.854 -10.288 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.566 2.307 -7.513 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.863 1.536 -9.808 1.00 0.00 H new ATOM 451 N LEU A 32 -6.982 -4.970 -5.839 1.00 0.00 N ATOM 452 CA LEU A 32 -6.656 -6.345 -5.502 1.00 0.00 C ATOM 453 C LEU A 32 -5.272 -6.688 -6.056 1.00 0.00 C ATOM 454 O LEU A 32 -4.960 -6.364 -7.201 1.00 0.00 O ATOM 455 CB LEU A 32 -7.760 -7.290 -5.980 1.00 0.00 C ATOM 456 CG LEU A 32 -8.984 -7.406 -5.069 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.280 -7.326 -5.879 1.00 0.00 C ATOM 458 CD2 LEU A 32 -8.917 -8.677 -4.219 1.00 0.00 C ATOM 0 H LEU A 32 -6.813 -4.718 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.607 -6.470 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.094 -6.959 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.331 -8.284 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.980 -6.559 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.134 -7.411 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.323 -6.371 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.306 -8.139 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.799 -8.735 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.883 -9.550 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.021 -8.653 -3.599 1.00 0.00 H new ATOM 470 N PHE A 33 -4.478 -7.339 -5.218 1.00 0.00 N ATOM 471 CA PHE A 33 -3.134 -7.728 -5.609 1.00 0.00 C ATOM 472 C PHE A 33 -2.761 -9.086 -5.010 1.00 0.00 C ATOM 473 O PHE A 33 -3.356 -9.518 -4.025 1.00 0.00 O ATOM 474 CB PHE A 33 -2.182 -6.663 -5.062 1.00 0.00 C ATOM 475 CG PHE A 33 -2.453 -5.254 -5.593 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.294 -4.984 -6.916 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.854 -4.272 -4.742 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.546 -3.676 -7.409 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.106 -2.964 -5.234 1.00 0.00 C ATOM 480 CZ PHE A 33 -2.946 -2.694 -6.558 1.00 0.00 C ATOM 0 H PHE A 33 -4.740 -7.607 -4.269 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.071 -7.810 -6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.254 -6.650 -3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.158 -6.943 -5.311 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.976 -5.764 -7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.981 -4.487 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.420 -3.461 -8.460 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.424 -2.184 -4.558 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.137 -1.699 -6.933 1.00 0.00 H new ATOM 490 N SER A 34 -1.777 -9.720 -5.631 1.00 0.00 N ATOM 491 CA SER A 34 -1.317 -11.019 -5.171 1.00 0.00 C ATOM 492 C SER A 34 -0.036 -10.860 -4.348 1.00 0.00 C ATOM 493 O SER A 34 0.616 -9.819 -4.404 1.00 0.00 O ATOM 494 CB SER A 34 -1.077 -11.966 -6.348 1.00 0.00 C ATOM 495 OG SER A 34 -1.996 -13.055 -6.354 1.00 0.00 O ATOM 0 H SER A 34 -1.286 -9.358 -6.448 1.00 0.00 H new ATOM 0 HA SER A 34 -2.094 -11.454 -4.542 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.165 -11.412 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.059 -12.352 -6.301 1.00 0.00 H new ATOM 0 HG SER A 34 -1.811 -13.635 -7.122 1.00 0.00 H new ATOM 501 N PRO A 35 0.293 -11.935 -3.584 1.00 0.00 N ATOM 502 CA PRO A 35 1.483 -11.925 -2.750 1.00 0.00 C ATOM 503 C PRO A 35 2.746 -12.097 -3.597 1.00 0.00 C ATOM 504 O PRO A 35 3.860 -11.978 -3.088 1.00 0.00 O ATOM 505 CB PRO A 35 1.277 -13.055 -1.755 1.00 0.00 C ATOM 506 CG PRO A 35 0.204 -13.949 -2.356 1.00 0.00 C ATOM 507 CD PRO A 35 -0.457 -13.185 -3.492 1.00 0.00 C ATOM 0 HA PRO A 35 1.625 -10.977 -2.231 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.202 -13.609 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.965 -12.669 -0.785 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.642 -14.877 -2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.533 -14.222 -1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.410 -13.745 -4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.511 -13.000 -3.284 1.00 0.00 H new ATOM 515 N ASN A 36 2.531 -12.374 -4.874 1.00 0.00 N ATOM 516 CA ASN A 36 3.638 -12.563 -5.796 1.00 0.00 C ATOM 517 C ASN A 36 3.923 -11.246 -6.521 1.00 0.00 C ATOM 518 O ASN A 36 5.055 -10.991 -6.930 1.00 0.00 O ATOM 519 CB ASN A 36 3.303 -13.620 -6.850 1.00 0.00 C ATOM 520 CG ASN A 36 3.045 -14.981 -6.199 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.955 -15.734 -5.894 1.00 0.00 O ATOM 522 ND2 ASN A 36 1.758 -15.252 -6.005 1.00 0.00 N ATOM 0 H ASN A 36 1.606 -12.472 -5.293 1.00 0.00 H new ATOM 0 HA ASN A 36 4.504 -12.890 -5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.423 -13.310 -7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.125 -13.703 -7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.482 -16.136 -5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.047 -14.576 -6.284 1.00 0.00 H new ATOM 529 N ASP A 37 2.877 -10.445 -6.658 1.00 0.00 N ATOM 530 CA ASP A 37 3.001 -9.161 -7.327 1.00 0.00 C ATOM 531 C ASP A 37 3.951 -8.265 -6.530 1.00 0.00 C ATOM 532 O ASP A 37 4.083 -8.418 -5.317 1.00 0.00 O ATOM 533 CB ASP A 37 1.647 -8.453 -7.415 1.00 0.00 C ATOM 534 CG ASP A 37 0.728 -8.952 -8.532 1.00 0.00 C ATOM 535 OD1 ASP A 37 0.593 -10.189 -8.646 1.00 0.00 O ATOM 536 OD2 ASP A 37 0.182 -8.084 -9.248 1.00 0.00 O ATOM 0 H ASP A 37 1.940 -10.660 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 37 3.381 -9.340 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.131 -8.568 -6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.820 -7.386 -7.557 1.00 0.00 H new ATOM 541 N SER A 38 4.589 -7.350 -7.244 1.00 0.00 N ATOM 542 CA SER A 38 5.524 -6.430 -6.619 1.00 0.00 C ATOM 543 C SER A 38 4.927 -5.021 -6.584 1.00 0.00 C ATOM 544 O SER A 38 3.913 -4.757 -7.228 1.00 0.00 O ATOM 545 CB SER A 38 6.865 -6.420 -7.356 1.00 0.00 C ATOM 546 OG SER A 38 6.718 -6.055 -8.726 1.00 0.00 O ATOM 0 H SER A 38 4.477 -7.226 -8.250 1.00 0.00 H new ATOM 0 HA SER A 38 5.704 -6.767 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.543 -5.722 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.322 -7.407 -7.291 1.00 0.00 H new ATOM 0 HG SER A 38 7.596 -6.058 -9.161 1.00 0.00 H new ATOM 552 N ALA A 39 5.583 -4.154 -5.827 1.00 0.00 N ATOM 553 CA ALA A 39 5.130 -2.779 -5.700 1.00 0.00 C ATOM 554 C ALA A 39 4.811 -2.222 -7.089 1.00 0.00 C ATOM 555 O ALA A 39 3.791 -1.560 -7.276 1.00 0.00 O ATOM 556 CB ALA A 39 6.194 -1.956 -4.972 1.00 0.00 C ATOM 0 H ALA A 39 6.425 -4.377 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 39 4.217 -2.729 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.854 -0.925 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.363 -2.375 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.124 -1.981 -5.539 1.00 0.00 H new ATOM 562 N SER A 40 5.702 -2.510 -8.026 1.00 0.00 N ATOM 563 CA SER A 40 5.528 -2.045 -9.392 1.00 0.00 C ATOM 564 C SER A 40 4.128 -2.406 -9.893 1.00 0.00 C ATOM 565 O SER A 40 3.315 -1.523 -10.165 1.00 0.00 O ATOM 566 CB SER A 40 6.592 -2.641 -10.316 1.00 0.00 C ATOM 567 OG SER A 40 7.503 -1.653 -10.787 1.00 0.00 O ATOM 0 H SER A 40 6.546 -3.059 -7.867 1.00 0.00 H new ATOM 0 HA SER A 40 5.642 -0.961 -9.402 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.142 -3.417 -9.783 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.107 -3.121 -11.166 1.00 0.00 H new ATOM 0 HG SER A 40 8.168 -2.073 -11.372 1.00 0.00 H new ATOM 573 N ASP A 41 3.888 -3.705 -9.999 1.00 0.00 N ATOM 574 CA ASP A 41 2.600 -4.193 -10.462 1.00 0.00 C ATOM 575 C ASP A 41 1.486 -3.347 -9.843 1.00 0.00 C ATOM 576 O ASP A 41 0.580 -2.899 -10.544 1.00 0.00 O ATOM 577 CB ASP A 41 2.379 -5.647 -10.042 1.00 0.00 C ATOM 578 CG ASP A 41 3.033 -6.690 -10.950 1.00 0.00 C ATOM 579 OD1 ASP A 41 3.422 -6.301 -12.072 1.00 0.00 O ATOM 580 OD2 ASP A 41 3.131 -7.853 -10.501 1.00 0.00 O ATOM 0 H ASP A 41 4.564 -4.434 -9.772 1.00 0.00 H new ATOM 0 HA ASP A 41 2.585 -4.126 -11.550 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.761 -5.779 -9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.307 -5.840 -10.006 1.00 0.00 H new ATOM 585 N ILE A 42 1.591 -3.153 -8.537 1.00 0.00 N ATOM 586 CA ILE A 42 0.603 -2.368 -7.815 1.00 0.00 C ATOM 587 C ILE A 42 0.522 -0.969 -8.430 1.00 0.00 C ATOM 588 O ILE A 42 -0.423 -0.660 -9.153 1.00 0.00 O ATOM 589 CB ILE A 42 0.912 -2.365 -6.317 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.901 -3.786 -5.751 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.045 -1.440 -5.562 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.213 -3.783 -4.253 1.00 0.00 C ATOM 0 H ILE A 42 2.345 -3.526 -7.960 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.386 -2.817 -7.912 1.00 0.00 H new ATOM 0 HB ILE A 42 1.919 -1.971 -6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.074 -4.242 -5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.635 -4.397 -6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.196 -1.456 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.056 -0.423 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.070 -1.781 -5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.199 -4.806 -3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.199 -3.349 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.464 -3.192 -3.726 1.00 0.00 H new ATOM 604 N ALA A 43 1.525 -0.162 -8.118 1.00 0.00 N ATOM 605 CA ALA A 43 1.578 1.197 -8.631 1.00 0.00 C ATOM 606 C ALA A 43 1.137 1.202 -10.096 1.00 0.00 C ATOM 607 O ALA A 43 0.148 1.843 -10.447 1.00 0.00 O ATOM 608 CB ALA A 43 2.990 1.757 -8.445 1.00 0.00 C ATOM 0 H ALA A 43 2.307 -0.422 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 43 0.895 1.843 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.031 2.776 -8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.244 1.759 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.702 1.136 -8.988 1.00 0.00 H new ATOM 614 N LYS A 44 1.892 0.481 -10.911 1.00 0.00 N ATOM 615 CA LYS A 44 1.591 0.395 -12.330 1.00 0.00 C ATOM 616 C LYS A 44 0.100 0.109 -12.514 1.00 0.00 C ATOM 617 O LYS A 44 -0.614 0.893 -13.136 1.00 0.00 O ATOM 618 CB LYS A 44 2.503 -0.629 -13.010 1.00 0.00 C ATOM 619 CG LYS A 44 2.944 -0.139 -14.390 1.00 0.00 C ATOM 620 CD LYS A 44 4.450 0.127 -14.422 1.00 0.00 C ATOM 621 CE LYS A 44 5.011 -0.059 -15.833 1.00 0.00 C ATOM 622 NZ LYS A 44 5.497 -1.445 -16.019 1.00 0.00 N ATOM 0 H LYS A 44 2.712 -0.049 -10.616 1.00 0.00 H new ATOM 0 HA LYS A 44 1.796 1.346 -12.822 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.379 -0.811 -12.388 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.979 -1.580 -13.108 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.687 -0.883 -15.143 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.405 0.773 -14.646 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.651 1.142 -14.078 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.957 -0.549 -13.733 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.239 0.164 -16.570 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.826 0.644 -16.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.874 -1.554 -16.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.248 -1.645 -15.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.710 -2.111 -15.878 1.00 0.00 H new ATOM 636 N HIS A 45 -0.327 -1.017 -11.961 1.00 0.00 N ATOM 637 CA HIS A 45 -1.720 -1.417 -12.057 1.00 0.00 C ATOM 638 C HIS A 45 -2.619 -0.192 -11.879 1.00 0.00 C ATOM 639 O HIS A 45 -3.373 0.166 -12.783 1.00 0.00 O ATOM 640 CB HIS A 45 -2.035 -2.533 -11.058 1.00 0.00 C ATOM 641 CG HIS A 45 -3.494 -2.920 -11.010 1.00 0.00 C ATOM 642 ND1 HIS A 45 -3.942 -4.194 -11.312 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.600 -2.188 -10.691 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.260 -4.217 -11.179 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.666 -2.973 -10.794 1.00 0.00 N ATOM 0 H HIS A 45 0.268 -1.665 -11.445 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.916 -1.828 -13.047 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.444 -3.413 -11.314 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.721 -2.216 -10.064 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.607 -1.147 -10.404 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.900 -5.071 -11.346 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.630 -2.692 -10.615 1.00 0.00 H new ATOM 653 N VAL A 46 -2.509 0.418 -10.708 1.00 0.00 N ATOM 654 CA VAL A 46 -3.302 1.596 -10.400 1.00 0.00 C ATOM 655 C VAL A 46 -3.364 2.501 -11.632 1.00 0.00 C ATOM 656 O VAL A 46 -4.438 2.727 -12.187 1.00 0.00 O ATOM 657 CB VAL A 46 -2.733 2.303 -9.168 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.422 3.650 -8.941 1.00 0.00 C ATOM 659 CG2 VAL A 46 -2.844 1.415 -7.927 1.00 0.00 C ATOM 0 H VAL A 46 -1.882 0.118 -9.961 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.325 1.313 -10.153 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.676 2.494 -9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.999 4.131 -8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.269 4.288 -9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.490 3.492 -8.790 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.433 1.941 -7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.892 1.178 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.287 0.492 -8.089 1.00 0.00 H new ATOM 669 N TYR A 47 -2.198 2.993 -12.025 1.00 0.00 N ATOM 670 CA TYR A 47 -2.106 3.867 -13.181 1.00 0.00 C ATOM 671 C TYR A 47 -2.732 3.214 -14.414 1.00 0.00 C ATOM 672 O TYR A 47 -3.607 3.797 -15.053 1.00 0.00 O ATOM 673 CB TYR A 47 -0.611 4.077 -13.434 1.00 0.00 C ATOM 674 CG TYR A 47 -0.295 4.755 -14.768 1.00 0.00 C ATOM 675 CD1 TYR A 47 -0.323 6.131 -14.867 1.00 0.00 C ATOM 676 CD2 TYR A 47 0.020 3.990 -15.873 1.00 0.00 C ATOM 677 CE1 TYR A 47 -0.025 6.769 -16.123 1.00 0.00 C ATOM 678 CE2 TYR A 47 0.318 4.628 -17.129 1.00 0.00 C ATOM 679 CZ TYR A 47 0.281 5.987 -17.192 1.00 0.00 C ATOM 680 OH TYR A 47 0.562 6.589 -18.378 1.00 0.00 O ATOM 0 H TYR A 47 -1.309 2.802 -11.563 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.635 4.802 -12.997 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.197 4.679 -12.625 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.108 3.110 -13.401 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.568 6.730 -14.002 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.043 2.913 -15.795 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.044 7.845 -16.214 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.565 4.041 -18.001 1.00 0.00 H new ATOM 0 HH TYR A 47 0.764 5.906 -19.052 1.00 0.00 H new ATOM 690 N ASP A 48 -2.261 2.012 -14.711 1.00 0.00 N ATOM 691 CA ASP A 48 -2.764 1.272 -15.857 1.00 0.00 C ATOM 692 C ASP A 48 -4.294 1.285 -15.834 1.00 0.00 C ATOM 693 O ASP A 48 -4.930 1.673 -16.814 1.00 0.00 O ATOM 694 CB ASP A 48 -2.303 -0.186 -15.817 1.00 0.00 C ATOM 695 CG ASP A 48 -0.877 -0.427 -16.313 1.00 0.00 C ATOM 696 OD1 ASP A 48 -0.432 0.367 -17.171 1.00 0.00 O ATOM 697 OD2 ASP A 48 -0.262 -1.399 -15.824 1.00 0.00 O ATOM 0 H ASP A 48 -1.536 1.531 -14.178 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.380 1.746 -16.760 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.381 -0.548 -14.792 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.987 -0.784 -16.419 1.00 0.00 H new ATOM 702 N ASN A 49 -4.841 0.858 -14.706 1.00 0.00 N ATOM 703 CA ASN A 49 -6.285 0.815 -14.543 1.00 0.00 C ATOM 704 C ASN A 49 -6.743 2.056 -13.775 1.00 0.00 C ATOM 705 O ASN A 49 -6.758 2.059 -12.545 1.00 0.00 O ATOM 706 CB ASN A 49 -6.713 -0.419 -13.747 1.00 0.00 C ATOM 707 CG ASN A 49 -6.744 -1.662 -14.638 1.00 0.00 C ATOM 708 OD1 ASN A 49 -7.752 -2.007 -15.232 1.00 0.00 O ATOM 709 ND2 ASN A 49 -5.586 -2.314 -14.698 1.00 0.00 N ATOM 0 H ASN A 49 -4.311 0.538 -13.895 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.736 0.778 -15.535 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.024 -0.579 -12.918 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.699 -0.253 -13.314 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.504 -3.157 -15.267 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.780 -1.971 -14.175 1.00 0.00 H new ATOM 716 N TRP A 50 -7.108 3.081 -14.532 1.00 0.00 N ATOM 717 CA TRP A 50 -7.566 4.325 -13.937 1.00 0.00 C ATOM 718 C TRP A 50 -7.834 5.319 -15.069 1.00 0.00 C ATOM 719 O TRP A 50 -7.359 5.134 -16.188 1.00 0.00 O ATOM 720 CB TRP A 50 -6.558 4.846 -12.911 1.00 0.00 C ATOM 721 CG TRP A 50 -6.953 4.575 -11.458 1.00 0.00 C ATOM 722 CD1 TRP A 50 -7.903 3.747 -11.002 1.00 0.00 C ATOM 723 CD2 TRP A 50 -6.366 5.171 -10.282 1.00 0.00 C ATOM 724 NE1 TRP A 50 -7.972 3.766 -9.624 1.00 0.00 N ATOM 725 CE2 TRP A 50 -7.007 4.659 -9.172 1.00 0.00 C ATOM 726 CE3 TRP A 50 -5.329 6.111 -10.160 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -6.682 5.028 -7.861 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.015 6.469 -8.843 1.00 0.00 C ATOM 729 CH2 TRP A 50 -5.651 5.963 -7.715 1.00 0.00 C ATOM 0 H TRP A 50 -7.096 3.075 -15.552 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.492 4.170 -13.383 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -5.588 4.388 -13.105 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.436 5.920 -13.049 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.535 3.141 -11.634 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.613 3.225 -9.044 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.814 6.525 -11.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.199 4.613 -7.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.224 7.188 -8.693 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.351 6.290 -6.730 1.00 0.00 H new ATOM 740 N PRO A 51 -8.616 6.379 -14.730 1.00 0.00 N ATOM 741 CA PRO A 51 -8.953 7.402 -15.704 1.00 0.00 C ATOM 742 C PRO A 51 -7.760 8.323 -15.969 1.00 0.00 C ATOM 743 O PRO A 51 -6.900 8.494 -15.106 1.00 0.00 O ATOM 744 CB PRO A 51 -10.147 8.133 -15.111 1.00 0.00 C ATOM 745 CG PRO A 51 -10.143 7.801 -13.627 1.00 0.00 C ATOM 746 CD PRO A 51 -9.197 6.630 -13.414 1.00 0.00 C ATOM 0 HA PRO A 51 -9.202 6.986 -16.680 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.066 9.208 -15.271 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.076 7.810 -15.581 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.820 8.663 -13.044 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.148 7.546 -13.290 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.427 6.871 -12.681 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.729 5.754 -13.042 1.00 0.00 H new ATOM 754 N MET A 52 -7.746 8.891 -17.165 1.00 0.00 N ATOM 755 CA MET A 52 -6.672 9.790 -17.554 1.00 0.00 C ATOM 756 C MET A 52 -6.562 10.966 -16.582 1.00 0.00 C ATOM 757 O MET A 52 -7.397 11.869 -16.598 1.00 0.00 O ATOM 758 CB MET A 52 -6.933 10.317 -18.966 1.00 0.00 C ATOM 759 CG MET A 52 -5.693 10.161 -19.848 1.00 0.00 C ATOM 760 SD MET A 52 -6.102 9.238 -21.320 1.00 0.00 S ATOM 761 CE MET A 52 -4.954 9.970 -22.474 1.00 0.00 C ATOM 0 H MET A 52 -8.461 8.747 -17.878 1.00 0.00 H new ATOM 0 HA MET A 52 -5.734 9.236 -17.531 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.770 9.778 -19.410 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.220 11.367 -18.919 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.305 11.142 -20.120 1.00 0.00 H new ATOM 0 HG3 MET A 52 -4.905 9.649 -19.295 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.076 9.505 -23.452 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.150 11.039 -22.553 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.934 9.813 -22.122 1.00 0.00 H new ATOM 771 N ASP A 53 -5.526 10.917 -15.758 1.00 0.00 N ATOM 772 CA ASP A 53 -5.296 11.967 -14.781 1.00 0.00 C ATOM 773 C ASP A 53 -4.130 11.568 -13.874 1.00 0.00 C ATOM 774 O ASP A 53 -4.081 10.443 -13.378 1.00 0.00 O ATOM 775 CB ASP A 53 -6.529 12.178 -13.900 1.00 0.00 C ATOM 776 CG ASP A 53 -7.102 13.597 -13.919 1.00 0.00 C ATOM 777 OD1 ASP A 53 -6.818 14.310 -14.905 1.00 0.00 O ATOM 778 OD2 ASP A 53 -7.811 13.936 -12.947 1.00 0.00 O ATOM 0 H ASP A 53 -4.836 10.166 -15.747 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.076 12.888 -15.321 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.307 11.484 -14.218 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.272 11.920 -12.873 1.00 0.00 H new ATOM 783 N TRP A 54 -3.219 12.511 -13.685 1.00 0.00 N ATOM 784 CA TRP A 54 -2.057 12.272 -12.847 1.00 0.00 C ATOM 785 C TRP A 54 -1.299 13.593 -12.702 1.00 0.00 C ATOM 786 O TRP A 54 -1.524 14.530 -13.466 1.00 0.00 O ATOM 787 CB TRP A 54 -1.192 11.146 -13.417 1.00 0.00 C ATOM 788 CG TRP A 54 -0.091 10.666 -12.469 1.00 0.00 C ATOM 789 CD1 TRP A 54 1.062 11.277 -12.166 1.00 0.00 C ATOM 790 CD2 TRP A 54 -0.087 9.440 -11.707 1.00 0.00 C ATOM 791 NE1 TRP A 54 1.806 10.539 -11.269 1.00 0.00 N ATOM 792 CE2 TRP A 54 1.085 9.386 -10.981 1.00 0.00 C ATOM 793 CE3 TRP A 54 -1.043 8.411 -11.634 1.00 0.00 C ATOM 794 CZ2 TRP A 54 1.411 8.323 -10.130 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -0.702 7.356 -10.780 1.00 0.00 C ATOM 796 CH2 TRP A 54 0.474 7.286 -10.042 1.00 0.00 C ATOM 0 H TRP A 54 -3.262 13.443 -14.098 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.359 11.933 -11.856 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.833 10.302 -13.670 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.734 11.488 -14.345 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.371 12.229 -12.573 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.717 10.793 -10.887 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.967 8.433 -12.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 2.335 8.304 -9.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.402 6.539 -10.688 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.664 6.436 -9.404 1.00 0.00 H new ATOM 807 N GLU A 55 -0.415 13.626 -11.715 1.00 0.00 N ATOM 808 CA GLU A 55 0.378 14.817 -11.460 1.00 0.00 C ATOM 809 C GLU A 55 1.807 14.623 -11.971 1.00 0.00 C ATOM 810 O GLU A 55 2.722 14.378 -11.187 1.00 0.00 O ATOM 811 CB GLU A 55 0.371 15.172 -9.971 1.00 0.00 C ATOM 812 CG GLU A 55 0.435 16.687 -9.769 1.00 0.00 C ATOM 813 CD GLU A 55 -0.342 17.106 -8.519 1.00 0.00 C ATOM 814 OE1 GLU A 55 -1.588 17.030 -8.573 1.00 0.00 O ATOM 815 OE2 GLU A 55 0.329 17.493 -7.537 1.00 0.00 O ATOM 0 H GLU A 55 -0.231 12.847 -11.083 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.070 15.651 -12.001 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.531 14.777 -9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.220 14.699 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.475 17.002 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.024 17.192 -10.643 1.00 0.00 H new ATOM 822 N GLU A 56 1.953 14.739 -13.282 1.00 0.00 N ATOM 823 CA GLU A 56 3.255 14.580 -13.907 1.00 0.00 C ATOM 824 C GLU A 56 4.262 15.553 -13.291 1.00 0.00 C ATOM 825 O GLU A 56 5.231 15.132 -12.661 1.00 0.00 O ATOM 826 CB GLU A 56 3.163 14.772 -15.422 1.00 0.00 C ATOM 827 CG GLU A 56 2.890 13.442 -16.128 1.00 0.00 C ATOM 828 CD GLU A 56 1.387 13.178 -16.236 1.00 0.00 C ATOM 829 OE1 GLU A 56 0.636 14.177 -16.277 1.00 0.00 O ATOM 830 OE2 GLU A 56 1.022 11.983 -16.275 1.00 0.00 O ATOM 0 H GLU A 56 1.191 14.941 -13.929 1.00 0.00 H new ATOM 0 HA GLU A 56 3.603 13.563 -13.723 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.369 15.481 -15.655 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.093 15.202 -15.795 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.333 13.457 -17.124 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.367 12.630 -15.579 1.00 0.00 H new ATOM 837 N GLU A 57 3.999 16.835 -13.495 1.00 0.00 N ATOM 838 CA GLU A 57 4.870 17.872 -12.968 1.00 0.00 C ATOM 839 C GLU A 57 6.084 18.060 -13.880 1.00 0.00 C ATOM 840 O GLU A 57 6.259 19.123 -14.475 1.00 0.00 O ATOM 841 CB GLU A 57 5.305 17.546 -11.537 1.00 0.00 C ATOM 842 CG GLU A 57 5.087 18.745 -10.612 1.00 0.00 C ATOM 843 CD GLU A 57 5.360 18.369 -9.154 1.00 0.00 C ATOM 844 OE1 GLU A 57 4.605 17.518 -8.636 1.00 0.00 O ATOM 845 OE2 GLU A 57 6.317 18.942 -8.590 1.00 0.00 O ATOM 0 H GLU A 57 3.194 17.180 -14.019 1.00 0.00 H new ATOM 0 HA GLU A 57 4.313 18.808 -12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.741 16.690 -11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.357 17.262 -11.529 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.744 19.563 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.063 19.105 -10.713 1.00 0.00 H new ATOM 852 N GLN A 58 6.890 17.012 -13.963 1.00 0.00 N ATOM 853 CA GLN A 58 8.082 17.049 -14.793 1.00 0.00 C ATOM 854 C GLN A 58 8.825 15.714 -14.714 1.00 0.00 C ATOM 855 O GLN A 58 10.009 15.677 -14.380 1.00 0.00 O ATOM 856 CB GLN A 58 8.995 18.209 -14.391 1.00 0.00 C ATOM 857 CG GLN A 58 9.793 18.721 -15.592 1.00 0.00 C ATOM 858 CD GLN A 58 11.265 18.923 -15.226 1.00 0.00 C ATOM 859 OE1 GLN A 58 11.818 18.248 -14.373 1.00 0.00 O ATOM 860 NE2 GLN A 58 11.867 19.887 -15.916 1.00 0.00 N ATOM 0 H GLN A 58 6.741 16.132 -13.469 1.00 0.00 H new ATOM 0 HA GLN A 58 7.776 17.212 -15.826 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.397 19.020 -13.975 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.679 17.883 -13.608 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.713 18.011 -16.415 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.369 19.663 -15.941 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.346 20.415 -16.616 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.850 20.099 -15.745 1.00 0.00 H new ATOM 869 N VAL A 59 8.100 14.650 -15.026 1.00 0.00 N ATOM 870 CA VAL A 59 8.676 13.317 -14.995 1.00 0.00 C ATOM 871 C VAL A 59 8.147 12.509 -16.182 1.00 0.00 C ATOM 872 O VAL A 59 7.042 12.756 -16.662 1.00 0.00 O ATOM 873 CB VAL A 59 8.389 12.654 -13.646 1.00 0.00 C ATOM 874 CG1 VAL A 59 9.116 13.381 -12.512 1.00 0.00 C ATOM 875 CG2 VAL A 59 6.884 12.586 -13.378 1.00 0.00 C ATOM 0 H VAL A 59 7.119 14.684 -15.302 1.00 0.00 H new ATOM 0 HA VAL A 59 9.760 13.368 -15.094 1.00 0.00 H new ATOM 0 HB VAL A 59 8.768 11.633 -13.687 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.895 12.890 -11.564 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.191 13.354 -12.693 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.781 14.417 -12.470 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.707 12.111 -12.413 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.471 13.594 -13.367 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.401 12.004 -14.163 1.00 0.00 H new ATOM 885 N SER A 60 8.961 11.560 -16.621 1.00 0.00 N ATOM 886 CA SER A 60 8.589 10.715 -17.743 1.00 0.00 C ATOM 887 C SER A 60 9.300 9.365 -17.639 1.00 0.00 C ATOM 888 O SER A 60 9.625 8.751 -18.655 1.00 0.00 O ATOM 889 CB SER A 60 8.921 11.390 -19.075 1.00 0.00 C ATOM 890 OG SER A 60 7.856 12.217 -19.535 1.00 0.00 O ATOM 0 H SER A 60 9.877 11.358 -16.220 1.00 0.00 H new ATOM 0 HA SER A 60 7.512 10.554 -17.708 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.823 11.991 -18.962 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.137 10.628 -19.824 1.00 0.00 H new ATOM 0 HG SER A 60 7.361 12.571 -18.767 1.00 0.00 H new ATOM 896 N SER A 61 9.522 8.942 -16.403 1.00 0.00 N ATOM 897 CA SER A 61 10.190 7.675 -16.154 1.00 0.00 C ATOM 898 C SER A 61 9.184 6.648 -15.632 1.00 0.00 C ATOM 899 O SER A 61 8.198 7.009 -14.991 1.00 0.00 O ATOM 900 CB SER A 61 11.340 7.845 -15.160 1.00 0.00 C ATOM 901 OG SER A 61 12.477 8.459 -15.759 1.00 0.00 O ATOM 0 H SER A 61 9.251 9.454 -15.563 1.00 0.00 H new ATOM 0 HA SER A 61 10.609 7.318 -17.095 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.004 8.449 -14.317 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.622 6.870 -14.762 1.00 0.00 H new ATOM 0 HG SER A 61 13.189 8.551 -15.092 1.00 0.00 H new ATOM 907 N PRO A 62 9.475 5.354 -15.933 1.00 0.00 N ATOM 908 CA PRO A 62 8.607 4.271 -15.501 1.00 0.00 C ATOM 909 C PRO A 62 8.776 3.997 -14.005 1.00 0.00 C ATOM 910 O PRO A 62 8.054 3.180 -13.435 1.00 0.00 O ATOM 911 CB PRO A 62 8.996 3.086 -16.369 1.00 0.00 C ATOM 912 CG PRO A 62 10.371 3.411 -16.928 1.00 0.00 C ATOM 913 CD PRO A 62 10.634 4.889 -16.690 1.00 0.00 C ATOM 0 HA PRO A 62 7.549 4.506 -15.621 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.019 2.166 -15.785 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.274 2.936 -17.172 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.134 2.804 -16.441 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.414 3.182 -17.993 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.558 5.042 -16.133 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.736 5.430 -17.631 1.00 0.00 H new ATOM 921 N ASN A 63 9.733 4.696 -13.412 1.00 0.00 N ATOM 922 CA ASN A 63 10.005 4.538 -11.994 1.00 0.00 C ATOM 923 C ASN A 63 10.095 5.919 -11.340 1.00 0.00 C ATOM 924 O ASN A 63 11.157 6.539 -11.333 1.00 0.00 O ATOM 925 CB ASN A 63 11.337 3.820 -11.765 1.00 0.00 C ATOM 926 CG ASN A 63 11.189 2.312 -11.977 1.00 0.00 C ATOM 927 OD1 ASN A 63 11.219 1.523 -11.047 1.00 0.00 O ATOM 928 ND2 ASN A 63 11.029 1.957 -13.248 1.00 0.00 N ATOM 0 H ASN A 63 10.329 5.373 -13.888 1.00 0.00 H new ATOM 0 HA ASN A 63 9.198 3.948 -11.559 1.00 0.00 H new ATOM 0 HB2 ASN A 63 12.089 4.215 -12.448 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.691 4.016 -10.753 1.00 0.00 H new ATOM 0 HD21 ASN A 63 10.922 0.973 -13.493 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.013 2.669 -13.978 1.00 0.00 H new ATOM 935 N ILE A 64 8.965 6.359 -10.805 1.00 0.00 N ATOM 936 CA ILE A 64 8.902 7.654 -10.150 1.00 0.00 C ATOM 937 C ILE A 64 7.900 7.589 -8.996 1.00 0.00 C ATOM 938 O ILE A 64 8.188 8.050 -7.892 1.00 0.00 O ATOM 939 CB ILE A 64 8.597 8.755 -11.168 1.00 0.00 C ATOM 940 CG1 ILE A 64 7.722 8.224 -12.305 1.00 0.00 C ATOM 941 CG2 ILE A 64 9.887 9.394 -11.687 1.00 0.00 C ATOM 942 CD1 ILE A 64 7.313 9.351 -13.255 1.00 0.00 C ATOM 0 H ILE A 64 8.086 5.841 -10.812 1.00 0.00 H new ATOM 0 HA ILE A 64 9.870 7.910 -9.718 1.00 0.00 H new ATOM 0 HB ILE A 64 8.030 9.538 -10.665 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.264 7.457 -12.858 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.831 7.750 -11.892 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.642 10.173 -12.409 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.437 9.831 -10.854 1.00 0.00 H new ATOM 0 HG23 ILE A 64 10.502 8.633 -12.169 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.692 8.946 -14.054 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.750 10.105 -12.704 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.205 9.806 -13.685 1.00 0.00 H new ATOM 954 N LEU A 65 6.744 7.013 -9.290 1.00 0.00 N ATOM 955 CA LEU A 65 5.697 6.882 -8.291 1.00 0.00 C ATOM 956 C LEU A 65 6.261 6.170 -7.059 1.00 0.00 C ATOM 957 O LEU A 65 7.337 5.577 -7.119 1.00 0.00 O ATOM 958 CB LEU A 65 4.468 6.195 -8.889 1.00 0.00 C ATOM 959 CG LEU A 65 4.740 4.941 -9.723 1.00 0.00 C ATOM 960 CD1 LEU A 65 4.900 5.292 -11.203 1.00 0.00 C ATOM 961 CD2 LEU A 65 5.948 4.174 -9.181 1.00 0.00 C ATOM 0 H LEU A 65 6.509 6.631 -10.206 1.00 0.00 H new ATOM 0 HA LEU A 65 5.356 7.865 -7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.794 5.927 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.942 6.916 -9.514 1.00 0.00 H new ATOM 0 HG LEU A 65 3.877 4.281 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.092 4.383 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.986 5.762 -11.566 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.736 5.981 -11.325 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.120 3.287 -9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.830 4.814 -9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.756 3.874 -8.151 1.00 0.00 H new ATOM 973 N ARG A 66 5.509 6.254 -5.971 1.00 0.00 N ATOM 974 CA ARG A 66 5.920 5.625 -4.727 1.00 0.00 C ATOM 975 C ARG A 66 4.695 5.184 -3.925 1.00 0.00 C ATOM 976 O ARG A 66 3.666 5.858 -3.936 1.00 0.00 O ATOM 977 CB ARG A 66 6.760 6.582 -3.878 1.00 0.00 C ATOM 978 CG ARG A 66 8.255 6.357 -4.114 1.00 0.00 C ATOM 979 CD ARG A 66 9.028 6.381 -2.794 1.00 0.00 C ATOM 980 NE ARG A 66 10.328 7.063 -2.982 1.00 0.00 N ATOM 981 CZ ARG A 66 11.260 7.180 -2.027 1.00 0.00 C ATOM 982 NH1 ARG A 66 11.042 6.661 -0.811 1.00 0.00 N ATOM 983 NH2 ARG A 66 12.411 7.815 -2.287 1.00 0.00 N ATOM 0 H ARG A 66 4.618 6.748 -5.925 1.00 0.00 H new ATOM 0 HA ARG A 66 6.525 4.754 -4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.501 7.612 -4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.529 6.436 -2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.408 5.400 -4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.642 7.128 -4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.445 6.896 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.190 5.363 -2.439 1.00 0.00 H new ATOM 0 HE ARG A 66 10.527 7.469 -3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.166 6.177 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.752 6.750 -0.084 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.578 8.210 -3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.120 7.904 -1.559 1.00 0.00 H new ATOM 997 N LEU A 67 4.845 4.055 -3.248 1.00 0.00 N ATOM 998 CA LEU A 67 3.763 3.516 -2.442 1.00 0.00 C ATOM 999 C LEU A 67 4.109 3.674 -0.960 1.00 0.00 C ATOM 1000 O LEU A 67 5.188 3.275 -0.525 1.00 0.00 O ATOM 1001 CB LEU A 67 3.458 2.073 -2.852 1.00 0.00 C ATOM 1002 CG LEU A 67 3.348 1.061 -1.709 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.087 1.306 -0.879 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.416 -0.373 -2.239 1.00 0.00 C ATOM 0 H LEU A 67 5.700 3.499 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 67 2.843 4.074 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.522 2.065 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.239 1.737 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 67 4.202 1.200 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.033 0.573 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.120 2.310 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.208 1.210 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.336 -1.073 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.595 -0.543 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.365 -0.527 -2.752 1.00 0.00 H new ATOM 1016 N ILE A 68 3.173 4.257 -0.226 1.00 0.00 N ATOM 1017 CA ILE A 68 3.365 4.473 1.198 1.00 0.00 C ATOM 1018 C ILE A 68 2.547 3.445 1.981 1.00 0.00 C ATOM 1019 O ILE A 68 1.411 3.144 1.618 1.00 0.00 O ATOM 1020 CB ILE A 68 3.046 5.923 1.568 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.050 6.886 0.929 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.970 6.098 3.086 1.00 0.00 C ATOM 1023 CD1 ILE A 68 3.535 7.404 -0.414 1.00 0.00 C ATOM 0 H ILE A 68 2.279 4.587 -0.591 1.00 0.00 H new ATOM 0 HA ILE A 68 4.410 4.322 1.468 1.00 0.00 H new ATOM 0 HB ILE A 68 2.063 6.169 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.232 7.725 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.004 6.379 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.742 7.138 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.187 5.455 3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.927 5.826 3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.267 8.086 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.377 6.565 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.593 7.931 -0.264 1.00 0.00 H new ATOM 1035 N TYR A 69 3.156 2.933 3.040 1.00 0.00 N ATOM 1036 CA TYR A 69 2.498 1.945 3.877 1.00 0.00 C ATOM 1037 C TYR A 69 2.731 2.240 5.360 1.00 0.00 C ATOM 1038 O TYR A 69 3.867 2.213 5.831 1.00 0.00 O ATOM 1039 CB TYR A 69 3.142 0.601 3.529 1.00 0.00 C ATOM 1040 CG TYR A 69 2.644 -0.567 4.382 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.293 -0.723 4.617 1.00 0.00 C ATOM 1042 CD2 TYR A 69 3.546 -1.465 4.916 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.824 -1.823 5.420 1.00 0.00 C ATOM 1044 CE2 TYR A 69 3.077 -2.565 5.719 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.739 -2.689 5.931 1.00 0.00 C ATOM 1046 OH TYR A 69 1.297 -3.728 6.689 1.00 0.00 O ATOM 0 H TYR A 69 4.099 3.184 3.338 1.00 0.00 H new ATOM 0 HA TYR A 69 1.422 1.950 3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.950 0.379 2.479 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.222 0.687 3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.587 -0.020 4.199 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.603 -1.343 4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.230 -1.957 5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.772 -3.275 6.143 1.00 0.00 H new ATOM 0 HH TYR A 69 2.061 -4.265 6.986 1.00 0.00 H new ATOM 1056 N GLN A 70 1.637 2.514 6.055 1.00 0.00 N ATOM 1057 CA GLN A 70 1.707 2.813 7.475 1.00 0.00 C ATOM 1058 C GLN A 70 2.584 4.044 7.715 1.00 0.00 C ATOM 1059 O GLN A 70 3.196 4.178 8.774 1.00 0.00 O ATOM 1060 CB GLN A 70 2.226 1.609 8.265 1.00 0.00 C ATOM 1061 CG GLN A 70 1.075 0.694 8.687 1.00 0.00 C ATOM 1062 CD GLN A 70 1.029 0.536 10.208 1.00 0.00 C ATOM 1063 OE1 GLN A 70 1.053 1.498 10.958 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.963 -0.727 10.619 1.00 0.00 N ATOM 0 H GLN A 70 0.696 2.535 5.661 1.00 0.00 H new ATOM 0 HA GLN A 70 0.700 3.032 7.830 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.936 1.049 7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.764 1.953 9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.130 1.105 8.332 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.193 -0.284 8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.946 -1.485 9.937 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.929 -0.938 11.616 1.00 0.00 H new ATOM 1073 N GLY A 71 2.615 4.912 6.715 1.00 0.00 N ATOM 1074 CA GLY A 71 3.406 6.128 6.804 1.00 0.00 C ATOM 1075 C GLY A 71 4.749 5.962 6.088 1.00 0.00 C ATOM 1076 O GLY A 71 5.263 6.911 5.498 1.00 0.00 O ATOM 0 H GLY A 71 2.105 4.798 5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.854 6.958 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.576 6.380 7.851 1.00 0.00 H new ATOM 1080 N ARG A 72 5.278 4.750 6.164 1.00 0.00 N ATOM 1081 CA ARG A 72 6.550 4.448 5.531 1.00 0.00 C ATOM 1082 C ARG A 72 6.352 4.197 4.035 1.00 0.00 C ATOM 1083 O ARG A 72 5.240 4.316 3.523 1.00 0.00 O ATOM 1084 CB ARG A 72 7.202 3.217 6.165 1.00 0.00 C ATOM 1085 CG ARG A 72 7.977 3.598 7.429 1.00 0.00 C ATOM 1086 CD ARG A 72 8.888 2.454 7.878 1.00 0.00 C ATOM 1087 NE ARG A 72 10.291 2.750 7.510 1.00 0.00 N ATOM 1088 CZ ARG A 72 11.238 1.817 7.348 1.00 0.00 C ATOM 1089 NH1 ARG A 72 10.940 0.522 7.521 1.00 0.00 N ATOM 1090 NH2 ARG A 72 12.484 2.178 7.013 1.00 0.00 N ATOM 0 H ARG A 72 4.849 3.965 6.654 1.00 0.00 H new ATOM 0 HA ARG A 72 7.205 5.308 5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.436 2.481 6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.876 2.748 5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.574 4.490 7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.278 3.846 8.228 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.808 2.316 8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.570 1.521 7.413 1.00 0.00 H new ATOM 0 HE ARG A 72 10.553 3.726 7.371 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.992 0.247 7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.662 -0.188 7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.711 3.164 6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.205 1.467 6.890 1.00 0.00 H new ATOM 1104 N PHE A 73 7.449 3.854 3.375 1.00 0.00 N ATOM 1105 CA PHE A 73 7.410 3.585 1.947 1.00 0.00 C ATOM 1106 C PHE A 73 7.910 2.172 1.641 1.00 0.00 C ATOM 1107 O PHE A 73 8.820 1.675 2.303 1.00 0.00 O ATOM 1108 CB PHE A 73 8.339 4.598 1.276 1.00 0.00 C ATOM 1109 CG PHE A 73 7.899 6.054 1.446 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.090 6.688 2.634 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.317 6.714 0.409 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.682 8.039 2.792 1.00 0.00 C ATOM 1113 CE2 PHE A 73 6.909 8.065 0.567 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.100 8.699 1.755 1.00 0.00 C ATOM 0 H PHE A 73 8.370 3.756 3.803 1.00 0.00 H new ATOM 0 HA PHE A 73 6.386 3.666 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.342 4.482 1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.401 4.370 0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.552 6.164 3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.165 6.211 -0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.834 8.542 3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.447 8.589 -0.256 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.790 9.726 1.875 1.00 0.00 H new ATOM 1124 N LEU A 74 7.292 1.564 0.639 1.00 0.00 N ATOM 1125 CA LEU A 74 7.663 0.218 0.237 1.00 0.00 C ATOM 1126 C LEU A 74 8.527 0.286 -1.023 1.00 0.00 C ATOM 1127 O LEU A 74 8.367 1.190 -1.842 1.00 0.00 O ATOM 1128 CB LEU A 74 6.418 -0.657 0.082 1.00 0.00 C ATOM 1129 CG LEU A 74 5.632 -0.940 1.365 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.360 -1.734 1.065 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.512 -1.637 2.404 1.00 0.00 C ATOM 0 H LEU A 74 6.537 1.979 0.094 1.00 0.00 H new ATOM 0 HA LEU A 74 8.265 -0.258 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.748 -0.178 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.720 -1.610 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 74 5.322 0.013 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.821 -1.921 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.726 -1.163 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.625 -2.684 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.930 -1.827 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.873 -2.583 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.361 -0.999 2.648 1.00 0.00 H new ATOM 1143 N HIS A 75 9.425 -0.682 -1.140 1.00 0.00 N ATOM 1144 CA HIS A 75 10.315 -0.743 -2.287 1.00 0.00 C ATOM 1145 C HIS A 75 9.527 -1.173 -3.525 1.00 0.00 C ATOM 1146 O HIS A 75 8.437 -1.731 -3.409 1.00 0.00 O ATOM 1147 CB HIS A 75 11.510 -1.653 -1.999 1.00 0.00 C ATOM 1148 CG HIS A 75 12.836 -1.086 -2.447 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.457 -1.471 -3.622 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.651 -0.159 -1.866 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.594 -0.800 -3.733 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.713 0.012 -2.644 1.00 0.00 N ATOM 0 H HIS A 75 9.555 -1.430 -0.459 1.00 0.00 H new ATOM 0 HA HIS A 75 10.726 0.247 -2.486 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.554 -1.850 -0.928 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.351 -2.612 -2.493 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.464 0.349 -0.932 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.303 -0.882 -4.544 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.490 0.646 -2.458 1.00 0.00 H new ATOM 1160 N GLY A 76 10.109 -0.896 -4.683 1.00 0.00 N ATOM 1161 CA GLY A 76 9.475 -1.248 -5.942 1.00 0.00 C ATOM 1162 C GLY A 76 9.571 -2.752 -6.204 1.00 0.00 C ATOM 1163 O GLY A 76 8.709 -3.327 -6.866 1.00 0.00 O ATOM 0 H GLY A 76 11.013 -0.432 -4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.428 -0.945 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.950 -0.702 -6.757 1.00 0.00 H new ATOM 1167 N ASN A 77 10.629 -3.346 -5.671 1.00 0.00 N ATOM 1168 CA ASN A 77 10.849 -4.773 -5.838 1.00 0.00 C ATOM 1169 C ASN A 77 10.024 -5.537 -4.802 1.00 0.00 C ATOM 1170 O ASN A 77 9.589 -6.660 -5.054 1.00 0.00 O ATOM 1171 CB ASN A 77 12.321 -5.131 -5.628 1.00 0.00 C ATOM 1172 CG ASN A 77 12.888 -5.862 -6.846 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.869 -7.078 -6.937 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.391 -5.055 -7.776 1.00 0.00 N ATOM 0 H ASN A 77 11.343 -2.865 -5.123 1.00 0.00 H new ATOM 0 HA ASN A 77 10.553 -5.043 -6.852 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.897 -4.224 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.423 -5.759 -4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.792 -5.447 -8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.375 -4.045 -7.637 1.00 0.00 H new ATOM 1181 N VAL A 78 9.831 -4.898 -3.657 1.00 0.00 N ATOM 1182 CA VAL A 78 9.066 -5.504 -2.581 1.00 0.00 C ATOM 1183 C VAL A 78 7.796 -6.135 -3.157 1.00 0.00 C ATOM 1184 O VAL A 78 7.248 -5.646 -4.143 1.00 0.00 O ATOM 1185 CB VAL A 78 8.777 -4.466 -1.495 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.586 -4.890 -0.633 1.00 0.00 C ATOM 1187 CG2 VAL A 78 10.016 -4.216 -0.633 1.00 0.00 C ATOM 0 H VAL A 78 10.192 -3.966 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 78 9.639 -6.300 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 78 8.516 -3.529 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.402 -4.134 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.701 -4.994 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.805 -5.844 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.784 -3.474 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.320 -5.147 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.828 -3.848 -1.261 1.00 0.00 H new ATOM 1197 N THR A 79 7.366 -7.212 -2.516 1.00 0.00 N ATOM 1198 CA THR A 79 6.172 -7.915 -2.953 1.00 0.00 C ATOM 1199 C THR A 79 5.311 -8.303 -1.749 1.00 0.00 C ATOM 1200 O THR A 79 5.832 -8.739 -0.723 1.00 0.00 O ATOM 1201 CB THR A 79 6.610 -9.114 -3.797 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.505 -9.827 -2.948 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.475 -8.704 -4.991 1.00 0.00 C ATOM 0 H THR A 79 7.823 -7.615 -1.698 1.00 0.00 H new ATOM 0 HA THR A 79 5.542 -7.276 -3.572 1.00 0.00 H new ATOM 0 HB THR A 79 5.730 -9.649 -4.153 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.836 -10.622 -3.416 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.759 -9.592 -5.557 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.911 -8.029 -5.634 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.373 -8.199 -4.634 1.00 0.00 H new ATOM 1211 N LEU A 80 4.008 -8.129 -1.913 1.00 0.00 N ATOM 1212 CA LEU A 80 3.070 -8.455 -0.852 1.00 0.00 C ATOM 1213 C LEU A 80 3.511 -9.750 -0.167 1.00 0.00 C ATOM 1214 O LEU A 80 3.334 -9.910 1.039 1.00 0.00 O ATOM 1215 CB LEU A 80 1.641 -8.502 -1.396 1.00 0.00 C ATOM 1216 CG LEU A 80 0.964 -7.149 -1.622 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.349 -7.314 -2.390 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.765 -6.408 -0.299 1.00 0.00 C ATOM 0 H LEU A 80 3.579 -7.766 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 80 3.071 -7.675 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.651 -9.043 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.029 -9.081 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 80 1.622 -6.536 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.810 -6.337 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.149 -7.770 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.025 -7.952 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.282 -5.449 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.138 -7.006 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.733 -6.240 0.173 1.00 0.00 H new ATOM 1230 N GLY A 81 4.076 -10.642 -0.968 1.00 0.00 N ATOM 1231 CA GLY A 81 4.543 -11.918 -0.454 1.00 0.00 C ATOM 1232 C GLY A 81 5.588 -11.718 0.646 1.00 0.00 C ATOM 1233 O GLY A 81 5.477 -12.297 1.725 1.00 0.00 O ATOM 0 H GLY A 81 4.221 -10.506 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.700 -12.486 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.972 -12.506 -1.265 1.00 0.00 H new ATOM 1237 N ALA A 82 6.578 -10.895 0.334 1.00 0.00 N ATOM 1238 CA ALA A 82 7.642 -10.610 1.282 1.00 0.00 C ATOM 1239 C ALA A 82 7.059 -9.870 2.488 1.00 0.00 C ATOM 1240 O ALA A 82 7.665 -9.845 3.558 1.00 0.00 O ATOM 1241 CB ALA A 82 8.747 -9.813 0.587 1.00 0.00 C ATOM 0 H ALA A 82 6.666 -10.416 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 82 8.089 -11.535 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.544 -9.600 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.148 -10.394 -0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.337 -8.876 0.210 1.00 0.00 H new ATOM 1247 N LEU A 83 5.890 -9.285 2.274 1.00 0.00 N ATOM 1248 CA LEU A 83 5.219 -8.546 3.330 1.00 0.00 C ATOM 1249 C LEU A 83 4.315 -9.496 4.117 1.00 0.00 C ATOM 1250 O LEU A 83 3.661 -9.087 5.075 1.00 0.00 O ATOM 1251 CB LEU A 83 4.483 -7.335 2.752 1.00 0.00 C ATOM 1252 CG LEU A 83 5.345 -6.329 1.986 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.493 -5.187 1.431 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.494 -5.816 2.857 1.00 0.00 C ATOM 0 H LEU A 83 5.390 -9.308 1.385 1.00 0.00 H new ATOM 0 HA LEU A 83 5.947 -8.142 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.700 -7.695 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.988 -6.811 3.570 1.00 0.00 H new ATOM 0 HG LEU A 83 5.791 -6.841 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.130 -4.487 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.741 -5.590 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.999 -4.669 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.091 -5.103 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.089 -5.326 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.122 -6.653 3.161 1.00 0.00 H new ATOM 1266 N LYS A 84 4.306 -10.748 3.682 1.00 0.00 N ATOM 1267 CA LYS A 84 3.492 -11.761 4.334 1.00 0.00 C ATOM 1268 C LYS A 84 2.233 -11.106 4.907 1.00 0.00 C ATOM 1269 O LYS A 84 1.827 -11.408 6.028 1.00 0.00 O ATOM 1270 CB LYS A 84 4.316 -12.522 5.374 1.00 0.00 C ATOM 1271 CG LYS A 84 5.083 -11.557 6.281 1.00 0.00 C ATOM 1272 CD LYS A 84 4.172 -10.989 7.371 1.00 0.00 C ATOM 1273 CE LYS A 84 4.992 -10.464 8.552 1.00 0.00 C ATOM 1274 NZ LYS A 84 4.105 -10.103 9.679 1.00 0.00 N ATOM 0 H LYS A 84 4.849 -11.084 2.887 1.00 0.00 H new ATOM 0 HA LYS A 84 3.163 -12.508 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.658 -13.148 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.017 -13.188 4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.925 -12.075 6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.495 -10.742 5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.564 -10.183 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.485 -11.762 7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.706 -11.223 8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.570 -9.593 8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.678 -9.749 10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.440 -9.364 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.573 -10.943 9.985 1.00 0.00 H new ATOM 1288 N LEU A 85 1.650 -10.222 4.110 1.00 0.00 N ATOM 1289 CA LEU A 85 0.445 -9.523 4.524 1.00 0.00 C ATOM 1290 C LEU A 85 -0.707 -10.523 4.634 1.00 0.00 C ATOM 1291 O LEU A 85 -0.722 -11.537 3.939 1.00 0.00 O ATOM 1292 CB LEU A 85 0.156 -8.352 3.582 1.00 0.00 C ATOM 1293 CG LEU A 85 0.199 -6.958 4.212 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.340 -6.850 5.226 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.283 -5.873 3.137 1.00 0.00 C ATOM 0 H LEU A 85 1.989 -9.974 3.181 1.00 0.00 H new ATOM 0 HA LEU A 85 0.580 -9.082 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.877 -8.382 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.830 -8.500 3.142 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.732 -6.800 4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.348 -5.850 5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.195 -7.586 6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.290 -7.037 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.312 -4.892 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.187 -6.017 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.590 -5.936 2.488 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.670 -10.193 5.536 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.824 -11.050 5.746 1.00 0.00 C ATOM 1309 C PRO A 86 -3.817 -10.927 4.589 1.00 0.00 C ATOM 1310 O PRO A 86 -4.180 -9.820 4.193 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.406 -10.607 7.078 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.840 -9.221 7.340 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.686 -8.999 6.377 1.00 0.00 C ATOM 0 HA PRO A 86 -2.563 -12.108 5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.495 -10.583 7.040 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.130 -11.298 7.874 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.608 -8.461 7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.498 -9.137 8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.834 -8.098 5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.743 -8.877 6.910 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.229 -12.078 4.078 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.173 -12.112 2.974 1.00 0.00 C ATOM 1323 C PHE A 87 -6.582 -11.747 3.446 1.00 0.00 C ATOM 1324 O PHE A 87 -6.819 -11.591 4.643 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.183 -13.545 2.439 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.840 -14.007 1.871 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.023 -13.116 1.248 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.462 -15.308 1.988 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.776 -13.544 0.720 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.215 -15.736 1.461 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.398 -14.845 0.838 1.00 0.00 C ATOM 0 H PHE A 87 -3.926 -12.994 4.408 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.877 -11.394 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.477 -14.220 3.243 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.942 -13.626 1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.323 -12.083 1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.111 -16.016 2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.128 -12.836 0.225 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.915 -16.769 1.555 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.449 -15.170 0.437 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.481 -11.621 2.481 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.860 -11.277 2.782 1.00 0.00 C ATOM 1343 C GLY A 88 -8.930 -10.141 3.805 1.00 0.00 C ATOM 1344 O GLY A 88 -9.771 -10.160 4.702 1.00 0.00 O ATOM 0 H GLY A 88 -7.281 -11.751 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.373 -10.980 1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.381 -12.153 3.169 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.036 -9.178 3.634 1.00 0.00 N ATOM 1349 CA LYS A 89 -7.987 -8.036 4.531 1.00 0.00 C ATOM 1350 C LYS A 89 -7.887 -6.750 3.707 1.00 0.00 C ATOM 1351 O LYS A 89 -7.818 -6.799 2.480 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.857 -8.203 5.549 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.301 -9.082 6.721 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.329 -8.283 8.025 1.00 0.00 C ATOM 1355 CE LYS A 89 -7.698 -9.180 9.209 1.00 0.00 C ATOM 1356 NZ LYS A 89 -7.699 -8.401 10.468 1.00 0.00 N ATOM 0 H LYS A 89 -7.340 -9.165 2.888 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.905 -7.971 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.989 -8.649 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.549 -7.225 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.291 -9.491 6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.622 -9.928 6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.354 -7.829 8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.050 -7.469 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.681 -9.621 9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.988 -10.004 9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.951 -9.024 11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.753 -8.001 10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.394 -7.630 10.399 1.00 0.00 H new ATOM 1370 N THR A 90 -7.882 -5.630 4.415 1.00 0.00 N ATOM 1371 CA THR A 90 -7.792 -4.334 3.765 1.00 0.00 C ATOM 1372 C THR A 90 -6.644 -3.517 4.361 1.00 0.00 C ATOM 1373 O THR A 90 -6.543 -3.378 5.579 1.00 0.00 O ATOM 1374 CB THR A 90 -9.154 -3.648 3.887 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.044 -4.514 3.189 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.220 -2.335 3.105 1.00 0.00 C ATOM 0 H THR A 90 -7.939 -5.594 5.433 1.00 0.00 H new ATOM 0 HA THR A 90 -7.559 -4.438 2.705 1.00 0.00 H new ATOM 0 HB THR A 90 -9.370 -3.456 4.938 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.951 -4.145 3.220 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.207 -1.889 3.225 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.463 -1.648 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.037 -2.531 2.049 1.00 0.00 H new ATOM 1384 N THR A 91 -5.807 -2.999 3.474 1.00 0.00 N ATOM 1385 CA THR A 91 -4.669 -2.199 3.897 1.00 0.00 C ATOM 1386 C THR A 91 -4.819 -0.758 3.408 1.00 0.00 C ATOM 1387 O THR A 91 -5.431 -0.511 2.370 1.00 0.00 O ATOM 1388 CB THR A 91 -3.397 -2.883 3.393 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.291 -4.055 4.196 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.133 -2.087 3.725 1.00 0.00 C ATOM 0 H THR A 91 -5.894 -3.117 2.465 1.00 0.00 H new ATOM 0 HA THR A 91 -4.612 -2.135 4.984 1.00 0.00 H new ATOM 0 HB THR A 91 -3.464 -3.024 2.314 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.493 -4.560 3.934 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.259 -2.617 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.191 -1.102 3.261 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.047 -1.974 4.806 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.251 0.157 4.179 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.313 1.568 3.837 1.00 0.00 C ATOM 1400 C VAL A 92 -2.938 2.033 3.353 1.00 0.00 C ATOM 1401 O VAL A 92 -1.945 1.890 4.064 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.830 2.374 5.031 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.732 3.877 4.762 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.263 1.972 5.385 1.00 0.00 C ATOM 0 H VAL A 92 -3.745 -0.051 5.040 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.017 1.732 3.021 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.197 2.146 5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.106 4.426 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.691 4.147 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.329 4.129 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.606 2.560 6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.914 2.157 4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.291 0.913 5.640 1.00 0.00 H new ATOM 1414 N MET A 93 -2.925 2.579 2.146 1.00 0.00 N ATOM 1415 CA MET A 93 -1.689 3.065 1.558 1.00 0.00 C ATOM 1416 C MET A 93 -1.935 4.326 0.727 1.00 0.00 C ATOM 1417 O MET A 93 -2.983 4.464 0.098 1.00 0.00 O ATOM 1418 CB MET A 93 -1.084 1.977 0.668 1.00 0.00 C ATOM 1419 CG MET A 93 -0.494 0.845 1.511 1.00 0.00 C ATOM 1420 SD MET A 93 0.011 -0.503 0.455 1.00 0.00 S ATOM 1421 CE MET A 93 0.733 -1.594 1.670 1.00 0.00 C ATOM 0 H MET A 93 -3.751 2.695 1.559 1.00 0.00 H new ATOM 0 HA MET A 93 -0.999 3.313 2.364 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.850 1.579 0.003 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.307 2.409 0.037 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.360 1.212 2.080 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.232 0.495 2.233 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.760 -2.610 1.276 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.747 -1.266 1.897 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.133 -1.573 2.580 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.952 5.214 0.751 1.00 0.00 N ATOM 1432 CA HIS A 94 -1.049 6.458 0.007 1.00 0.00 C ATOM 1433 C HIS A 94 -0.141 6.394 -1.222 1.00 0.00 C ATOM 1434 O HIS A 94 0.834 5.644 -1.239 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.742 7.655 0.909 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.896 8.074 1.789 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.433 7.251 2.763 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.608 9.236 1.831 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.424 7.898 3.358 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.531 9.128 2.779 1.00 0.00 N ATOM 0 H HIS A 94 -0.084 5.097 1.274 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.071 6.595 -0.347 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.113 7.411 1.540 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.448 8.500 0.286 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -2.119 6.306 2.985 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.448 10.098 1.200 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.039 7.518 4.160 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.494 7.189 -2.221 1.00 0.00 N ATOM 1449 CA LEU A 95 0.277 7.232 -3.452 1.00 0.00 C ATOM 1450 C LEU A 95 0.839 8.642 -3.648 1.00 0.00 C ATOM 1451 O LEU A 95 0.218 9.623 -3.242 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.565 6.736 -4.629 1.00 0.00 C ATOM 1453 CG LEU A 95 0.192 5.980 -5.723 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -0.778 5.353 -6.727 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.218 6.886 -6.407 1.00 0.00 C ATOM 0 H LEU A 95 -1.304 7.809 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 95 1.129 6.555 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.349 6.085 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.060 7.594 -5.084 1.00 0.00 H new ATOM 0 HG LEU A 95 0.744 5.165 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.215 4.822 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.435 4.654 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.376 6.136 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.742 6.324 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.708 7.736 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.936 7.244 -5.669 1.00 0.00 H new ATOM 1467 N VAL A 96 2.007 8.698 -4.270 1.00 0.00 N ATOM 1468 CA VAL A 96 2.659 9.971 -4.525 1.00 0.00 C ATOM 1469 C VAL A 96 3.505 9.861 -5.795 1.00 0.00 C ATOM 1470 O VAL A 96 3.647 8.777 -6.359 1.00 0.00 O ATOM 1471 CB VAL A 96 3.472 10.397 -3.301 1.00 0.00 C ATOM 1472 CG1 VAL A 96 2.554 10.732 -2.123 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.488 9.320 -2.915 1.00 0.00 C ATOM 0 H VAL A 96 2.519 7.882 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 96 1.918 10.752 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 96 4.024 11.299 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.157 11.032 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.888 11.549 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.963 9.854 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.052 9.648 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.964 8.393 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.172 9.150 -3.747 1.00 0.00 H new ATOM 1483 N ALA A 97 4.045 10.998 -6.209 1.00 0.00 N ATOM 1484 CA ALA A 97 4.873 11.042 -7.402 1.00 0.00 C ATOM 1485 C ALA A 97 6.212 11.703 -7.064 1.00 0.00 C ATOM 1486 O ALA A 97 6.287 12.921 -6.917 1.00 0.00 O ATOM 1487 CB ALA A 97 4.125 11.778 -8.516 1.00 0.00 C ATOM 0 H ALA A 97 3.925 11.896 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 97 5.083 10.034 -7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.746 11.811 -9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.196 11.254 -8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.900 12.794 -8.193 1.00 0.00 H new ATOM 1493 N ARG A 98 7.235 10.868 -6.952 1.00 0.00 N ATOM 1494 CA ARG A 98 8.567 11.356 -6.634 1.00 0.00 C ATOM 1495 C ARG A 98 9.559 10.193 -6.579 1.00 0.00 C ATOM 1496 O ARG A 98 9.456 9.325 -5.713 1.00 0.00 O ATOM 1497 CB ARG A 98 8.578 12.091 -5.292 1.00 0.00 C ATOM 1498 CG ARG A 98 9.963 12.673 -4.998 1.00 0.00 C ATOM 1499 CD ARG A 98 10.181 13.980 -5.763 1.00 0.00 C ATOM 1500 NE ARG A 98 10.985 14.916 -4.945 1.00 0.00 N ATOM 1501 CZ ARG A 98 10.470 15.735 -4.017 1.00 0.00 C ATOM 1502 NH1 ARG A 98 9.151 15.737 -3.783 1.00 0.00 N ATOM 1503 NH2 ARG A 98 11.275 16.550 -3.322 1.00 0.00 N ATOM 0 H ARG A 98 7.169 9.858 -7.076 1.00 0.00 H new ATOM 0 HA ARG A 98 8.862 12.052 -7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.838 12.892 -5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.291 11.405 -4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.067 12.852 -3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.731 11.952 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.689 13.779 -6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.220 14.432 -6.009 1.00 0.00 H new ATOM 0 HE ARG A 98 11.993 14.939 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.538 15.115 -4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.759 16.360 -3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.280 16.547 -3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.883 17.173 -2.616 1.00 0.00 H new ATOM 1517 N GLU A 99 10.496 10.212 -7.515 1.00 0.00 N ATOM 1518 CA GLU A 99 11.506 9.169 -7.584 1.00 0.00 C ATOM 1519 C GLU A 99 12.245 9.057 -6.249 1.00 0.00 C ATOM 1520 O GLU A 99 11.997 8.135 -5.474 1.00 0.00 O ATOM 1521 CB GLU A 99 12.484 9.428 -8.732 1.00 0.00 C ATOM 1522 CG GLU A 99 12.727 8.153 -9.543 1.00 0.00 C ATOM 1523 CD GLU A 99 14.218 7.812 -9.593 1.00 0.00 C ATOM 1524 OE1 GLU A 99 14.929 8.489 -10.366 1.00 0.00 O ATOM 1525 OE2 GLU A 99 14.612 6.881 -8.857 1.00 0.00 O ATOM 0 H GLU A 99 10.577 10.933 -8.232 1.00 0.00 H new ATOM 0 HA GLU A 99 11.008 8.220 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.088 10.208 -9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.430 9.795 -8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.175 7.324 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.346 8.283 -10.556 1.00 0.00 H new ATOM 1532 N THR A 100 13.139 10.009 -6.022 1.00 0.00 N ATOM 1533 CA THR A 100 13.916 10.029 -4.795 1.00 0.00 C ATOM 1534 C THR A 100 14.728 11.322 -4.698 1.00 0.00 C ATOM 1535 O THR A 100 14.299 12.366 -5.187 1.00 0.00 O ATOM 1536 CB THR A 100 14.779 8.766 -4.761 1.00 0.00 C ATOM 1537 OG1 THR A 100 15.468 8.849 -3.517 1.00 0.00 O ATOM 1538 CG2 THR A 100 15.895 8.791 -5.808 1.00 0.00 C ATOM 0 H THR A 100 13.342 10.772 -6.668 1.00 0.00 H new ATOM 0 HA THR A 100 13.269 10.022 -3.918 1.00 0.00 H new ATOM 0 HB THR A 100 14.149 7.892 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 100 16.398 8.564 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 100 16.477 7.872 -5.741 1.00 0.00 H new ATOM 0 HG22 THR A 100 15.458 8.872 -6.803 1.00 0.00 H new ATOM 0 HG23 THR A 100 16.545 9.647 -5.626 1.00 0.00 H new ATOM 1546 N LEU A 101 15.886 11.210 -4.064 1.00 0.00 N ATOM 1547 CA LEU A 101 16.761 12.358 -3.897 1.00 0.00 C ATOM 1548 C LEU A 101 17.456 12.661 -5.226 1.00 0.00 C ATOM 1549 O LEU A 101 17.661 11.765 -6.042 1.00 0.00 O ATOM 1550 CB LEU A 101 17.729 12.128 -2.735 1.00 0.00 C ATOM 1551 CG LEU A 101 17.146 11.435 -1.502 1.00 0.00 C ATOM 1552 CD1 LEU A 101 18.181 10.518 -0.847 1.00 0.00 C ATOM 1553 CD2 LEU A 101 16.578 12.457 -0.515 1.00 0.00 C ATOM 0 H LEU A 101 16.239 10.342 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 101 16.183 13.243 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 101 18.567 11.534 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 101 18.132 13.093 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 101 16.317 10.805 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 101 17.741 10.038 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 101 18.495 9.756 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 101 19.046 11.106 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.170 11.938 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.371 13.132 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.788 13.030 -0.999 1.00 0.00 H new ATOM 1565 N PRO A 102 17.808 13.962 -5.406 1.00 0.00 N ATOM 1566 CA PRO A 102 18.476 14.396 -6.621 1.00 0.00 C ATOM 1567 C PRO A 102 19.943 13.961 -6.626 1.00 0.00 C ATOM 1568 O PRO A 102 20.840 14.794 -6.744 1.00 0.00 O ATOM 1569 CB PRO A 102 18.303 15.905 -6.649 1.00 0.00 C ATOM 1570 CG PRO A 102 17.955 16.311 -5.226 1.00 0.00 C ATOM 1571 CD PRO A 102 17.582 15.052 -4.460 1.00 0.00 C ATOM 0 HA PRO A 102 18.052 13.944 -7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 102 19.217 16.397 -6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 102 17.513 16.195 -7.342 1.00 0.00 H new ATOM 0 HG2 PRO A 102 18.802 16.809 -4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 102 17.126 17.019 -5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.196 14.935 -3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 102 16.543 15.082 -4.131 1.00 0.00 H new ATOM 1579 N GLU A 103 20.142 12.658 -6.495 1.00 0.00 N ATOM 1580 CA GLU A 103 21.485 12.103 -6.482 1.00 0.00 C ATOM 1581 C GLU A 103 21.521 10.783 -7.255 1.00 0.00 C ATOM 1582 O GLU A 103 20.487 10.147 -7.452 1.00 0.00 O ATOM 1583 CB GLU A 103 21.986 11.914 -5.049 1.00 0.00 C ATOM 1584 CG GLU A 103 22.389 13.253 -4.428 1.00 0.00 C ATOM 1585 CD GLU A 103 23.878 13.531 -4.642 1.00 0.00 C ATOM 1586 OE1 GLU A 103 24.672 13.039 -3.812 1.00 0.00 O ATOM 1587 OE2 GLU A 103 24.188 14.230 -5.631 1.00 0.00 O ATOM 0 H GLU A 103 19.395 11.970 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 103 22.154 12.808 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 103 21.206 11.449 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 103 22.839 11.236 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.798 14.055 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 103 22.167 13.245 -3.361 1.00 0.00 H new ATOM 1594 N PRO A 104 22.754 10.401 -7.682 1.00 0.00 N ATOM 1595 CA PRO A 104 22.939 9.168 -8.429 1.00 0.00 C ATOM 1596 C PRO A 104 22.842 7.950 -7.508 1.00 0.00 C ATOM 1597 O PRO A 104 23.793 7.179 -7.391 1.00 0.00 O ATOM 1598 CB PRO A 104 24.301 9.308 -9.088 1.00 0.00 C ATOM 1599 CG PRO A 104 25.026 10.400 -8.319 1.00 0.00 C ATOM 1600 CD PRO A 104 24.001 11.129 -7.467 1.00 0.00 C ATOM 0 HA PRO A 104 22.164 9.009 -9.179 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.853 8.369 -9.047 1.00 0.00 H new ATOM 0 HB3 PRO A 104 24.200 9.573 -10.141 1.00 0.00 H new ATOM 0 HG2 PRO A 104 25.808 9.971 -7.692 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.513 11.092 -9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 104 24.286 11.124 -6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 104 23.907 12.173 -7.767 1.00 0.00 H new ATOM 1608 N ASN A 105 21.684 7.815 -6.878 1.00 0.00 N ATOM 1609 CA ASN A 105 21.451 6.703 -5.971 1.00 0.00 C ATOM 1610 C ASN A 105 21.855 5.397 -6.658 1.00 0.00 C ATOM 1611 O ASN A 105 21.491 5.158 -7.809 1.00 0.00 O ATOM 1612 CB ASN A 105 19.972 6.601 -5.594 1.00 0.00 C ATOM 1613 CG ASN A 105 19.786 5.770 -4.324 1.00 0.00 C ATOM 1614 OD1 ASN A 105 20.387 6.022 -3.292 1.00 0.00 O ATOM 1615 ND2 ASN A 105 18.923 4.767 -4.455 1.00 0.00 N ATOM 0 H ASN A 105 20.897 8.457 -6.977 1.00 0.00 H new ATOM 0 HA ASN A 105 22.042 6.872 -5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.562 7.600 -5.443 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.414 6.148 -6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.730 4.153 -3.663 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.454 4.611 -5.347 1.00 0.00 H new ATOM 1622 N SER A 106 22.602 4.586 -5.924 1.00 0.00 N ATOM 1623 CA SER A 106 23.059 3.310 -6.448 1.00 0.00 C ATOM 1624 C SER A 106 21.862 2.396 -6.716 1.00 0.00 C ATOM 1625 O SER A 106 20.928 2.339 -5.918 1.00 0.00 O ATOM 1626 CB SER A 106 24.036 2.636 -5.482 1.00 0.00 C ATOM 1627 OG SER A 106 24.908 1.730 -6.150 1.00 0.00 O ATOM 0 H SER A 106 22.902 4.788 -4.970 1.00 0.00 H new ATOM 0 HA SER A 106 23.585 3.493 -7.385 1.00 0.00 H new ATOM 0 HB2 SER A 106 24.626 3.398 -4.973 1.00 0.00 H new ATOM 0 HB3 SER A 106 23.476 2.101 -4.715 1.00 0.00 H new ATOM 0 HG SER A 106 25.517 1.322 -5.499 1.00 0.00 H new ATOM 1633 N GLN A 107 21.930 1.702 -7.843 1.00 0.00 N ATOM 1634 CA GLN A 107 20.863 0.793 -8.228 1.00 0.00 C ATOM 1635 C GLN A 107 21.343 -0.657 -8.137 1.00 0.00 C ATOM 1636 O GLN A 107 22.269 -1.053 -8.844 1.00 0.00 O ATOM 1637 CB GLN A 107 20.349 1.114 -9.632 1.00 0.00 C ATOM 1638 CG GLN A 107 19.229 0.154 -10.038 1.00 0.00 C ATOM 1639 CD GLN A 107 17.887 0.599 -9.452 1.00 0.00 C ATOM 1640 OE1 GLN A 107 17.333 1.624 -9.811 1.00 0.00 O ATOM 1641 NE2 GLN A 107 17.397 -0.229 -8.533 1.00 0.00 N ATOM 0 H GLN A 107 22.707 1.751 -8.502 1.00 0.00 H new ATOM 0 HA GLN A 107 20.032 0.924 -7.535 1.00 0.00 H new ATOM 0 HB2 GLN A 107 19.983 2.140 -9.663 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.168 1.046 -10.348 1.00 0.00 H new ATOM 0 HG2 GLN A 107 19.159 0.110 -11.125 1.00 0.00 H new ATOM 0 HG3 GLN A 107 19.465 -0.853 -9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 107 17.913 -1.071 -8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 107 16.506 -0.021 -8.083 1.00 0.00 H new ATOM 1650 N GLY A 108 20.693 -1.409 -7.262 1.00 0.00 N ATOM 1651 CA GLY A 108 21.041 -2.806 -7.070 1.00 0.00 C ATOM 1652 C GLY A 108 21.200 -3.132 -5.584 1.00 0.00 C ATOM 1653 O GLY A 108 22.282 -2.972 -5.021 1.00 0.00 O ATOM 0 H GLY A 108 19.926 -1.077 -6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 108 20.268 -3.440 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 108 21.969 -3.029 -7.596 1.00 0.00 H new ATOM 1657 N GLN A 109 20.105 -3.585 -4.990 1.00 0.00 N ATOM 1658 CA GLN A 109 20.109 -3.935 -3.580 1.00 0.00 C ATOM 1659 C GLN A 109 18.794 -4.619 -3.199 1.00 0.00 C ATOM 1660 O GLN A 109 17.764 -4.387 -3.831 1.00 0.00 O ATOM 1661 CB GLN A 109 20.358 -2.702 -2.709 1.00 0.00 C ATOM 1662 CG GLN A 109 21.387 -3.001 -1.617 1.00 0.00 C ATOM 1663 CD GLN A 109 22.490 -1.940 -1.599 1.00 0.00 C ATOM 1664 OE1 GLN A 109 22.437 -0.940 -2.296 1.00 0.00 O ATOM 1665 NE2 GLN A 109 23.489 -2.213 -0.765 1.00 0.00 N ATOM 0 H GLN A 109 19.209 -3.718 -5.460 1.00 0.00 H new ATOM 0 HA GLN A 109 20.925 -4.635 -3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 109 20.711 -1.879 -3.330 1.00 0.00 H new ATOM 0 HB3 GLN A 109 19.422 -2.379 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.893 -3.034 -0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 109 21.826 -3.984 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 109 23.471 -3.069 -0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 109 24.274 -1.567 -0.680 1.00 0.00 H new ATOM 1674 N ARG A 110 18.872 -5.448 -2.168 1.00 0.00 N ATOM 1675 CA ARG A 110 17.701 -6.167 -1.696 1.00 0.00 C ATOM 1676 C ARG A 110 17.188 -7.116 -2.781 1.00 0.00 C ATOM 1677 O ARG A 110 17.595 -7.021 -3.938 1.00 0.00 O ATOM 1678 CB ARG A 110 16.582 -5.200 -1.304 1.00 0.00 C ATOM 1679 CG ARG A 110 15.731 -5.777 -0.171 1.00 0.00 C ATOM 1680 CD ARG A 110 15.175 -4.663 0.719 1.00 0.00 C ATOM 1681 NE ARG A 110 15.364 -5.012 2.145 1.00 0.00 N ATOM 1682 CZ ARG A 110 16.507 -4.824 2.819 1.00 0.00 C ATOM 1683 NH1 ARG A 110 17.569 -4.290 2.202 1.00 0.00 N ATOM 1684 NH2 ARG A 110 16.587 -5.171 4.111 1.00 0.00 N ATOM 0 H ARG A 110 19.728 -5.638 -1.647 1.00 0.00 H new ATOM 0 HA ARG A 110 17.996 -6.740 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 110 17.012 -4.248 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 110 15.952 -4.997 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 110 14.909 -6.358 -0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 110 16.332 -6.460 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 110 15.679 -3.723 0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 110 14.116 -4.514 0.510 1.00 0.00 H new ATOM 0 HE ARG A 110 14.575 -5.421 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 110 17.508 -4.026 1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 110 18.439 -4.147 2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 110 15.778 -5.578 4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 110 17.457 -5.028 4.625 1.00 0.00 H new ATOM 1698 N SER A 111 16.302 -8.011 -2.369 1.00 0.00 N ATOM 1699 CA SER A 111 15.729 -8.977 -3.291 1.00 0.00 C ATOM 1700 C SER A 111 16.833 -9.856 -3.880 1.00 0.00 C ATOM 1701 O SER A 111 17.581 -9.418 -4.754 1.00 0.00 O ATOM 1702 CB SER A 111 14.953 -8.278 -4.409 1.00 0.00 C ATOM 1703 OG SER A 111 15.809 -7.846 -5.463 1.00 0.00 O ATOM 0 H SER A 111 15.967 -8.087 -1.409 1.00 0.00 H new ATOM 0 HA SER A 111 15.030 -9.605 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.201 -8.958 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.421 -7.420 -3.999 1.00 0.00 H new ATOM 0 HG SER A 111 16.741 -7.876 -5.161 1.00 0.00 H new ATOM 1709 N GLY A 112 16.902 -11.081 -3.379 1.00 0.00 N ATOM 1710 CA GLY A 112 17.903 -12.025 -3.846 1.00 0.00 C ATOM 1711 C GLY A 112 18.111 -13.150 -2.829 1.00 0.00 C ATOM 1712 O GLY A 112 19.101 -13.155 -2.099 1.00 0.00 O ATOM 0 H GLY A 112 16.281 -11.441 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.593 -12.447 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.846 -11.506 -4.018 1.00 0.00 H new ATOM 1716 N PRO A 113 17.138 -14.099 -2.815 1.00 0.00 N ATOM 1717 CA PRO A 113 17.205 -15.226 -1.900 1.00 0.00 C ATOM 1718 C PRO A 113 18.243 -16.249 -2.366 1.00 0.00 C ATOM 1719 O PRO A 113 19.123 -16.638 -1.599 1.00 0.00 O ATOM 1720 CB PRO A 113 15.793 -15.788 -1.864 1.00 0.00 C ATOM 1721 CG PRO A 113 15.098 -15.251 -3.105 1.00 0.00 C ATOM 1722 CD PRO A 113 15.951 -14.125 -3.666 1.00 0.00 C ATOM 0 HA PRO A 113 17.531 -14.938 -0.901 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.806 -16.878 -1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 113 15.272 -15.476 -0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.974 -16.041 -3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 113 14.101 -14.887 -2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 113 16.215 -14.309 -4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 113 15.421 -13.173 -3.635 1.00 0.00 H new ATOM 1730 N SER A 114 18.107 -16.654 -3.619 1.00 0.00 N ATOM 1731 CA SER A 114 19.023 -17.624 -4.196 1.00 0.00 C ATOM 1732 C SER A 114 19.138 -18.844 -3.280 1.00 0.00 C ATOM 1733 O SER A 114 20.067 -18.937 -2.479 1.00 0.00 O ATOM 1734 CB SER A 114 20.402 -17.006 -4.433 1.00 0.00 C ATOM 1735 OG SER A 114 21.356 -17.976 -4.857 1.00 0.00 O ATOM 0 H SER A 114 17.376 -16.329 -4.252 1.00 0.00 H new ATOM 0 HA SER A 114 18.625 -17.938 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 114 20.323 -16.222 -5.186 1.00 0.00 H new ATOM 0 HB3 SER A 114 20.750 -16.533 -3.515 1.00 0.00 H new ATOM 0 HG SER A 114 22.223 -17.542 -4.999 1.00 0.00 H new ATOM 1741 N SER A 115 18.182 -19.748 -3.428 1.00 0.00 N ATOM 1742 CA SER A 115 18.164 -20.958 -2.624 1.00 0.00 C ATOM 1743 C SER A 115 18.603 -22.155 -3.470 1.00 0.00 C ATOM 1744 O SER A 115 19.578 -22.829 -3.141 1.00 0.00 O ATOM 1745 CB SER A 115 16.776 -21.207 -2.032 1.00 0.00 C ATOM 1746 OG SER A 115 16.295 -20.078 -1.307 1.00 0.00 O ATOM 0 H SER A 115 17.413 -19.667 -4.093 1.00 0.00 H new ATOM 0 HA SER A 115 18.863 -20.829 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 115 16.078 -21.448 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 115 16.814 -22.073 -1.371 1.00 0.00 H new ATOM 0 HG SER A 115 15.406 -20.276 -0.946 1.00 0.00 H new ATOM 1752 N GLY A 116 17.861 -22.384 -4.543 1.00 0.00 N ATOM 1753 CA GLY A 116 18.160 -23.488 -5.439 1.00 0.00 C ATOM 1754 C GLY A 116 18.916 -23.000 -6.677 1.00 0.00 C ATOM 1755 O GLY A 116 19.848 -22.205 -6.567 1.00 0.00 O ATOM 0 H GLY A 116 17.053 -21.823 -4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 116 18.756 -24.235 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 116 17.234 -23.976 -5.743 1.00 0.00 H new TER 1759 GLY A 116