USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 777 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 68 HIS : no HD1:sc= 0.633 K(o=3.5,f=-2.8!) USER MOD Set 1.2: A 81 THR OG1 : rot 125:sc= 2.04 USER MOD Set 1.3: A 84 ASN : amide:sc= 0.859 K(o=3.5,f=-3.8!) USER MOD Set 2.1: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 29 THR OG1 : rot 160:sc= -0.788 USER MOD Set 3.2: A 38 LYS NZ :NH3+ -164:sc= -0.0113 (180deg=-0.215) USER MOD Set 4.1: A 1 MET CE :methyl -108:sc= -1.03 (180deg=-2.99!) USER MOD Set 4.2: A 4 SER OG : rot -170:sc= -0.376 USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.154 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 9:sc= 0.517 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.8 K(o=0.8,f=-0.022) USER MOD Single : A 24 TYR OH : rot 73:sc= 0.00132 USER MOD Single : A 25 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.039) USER MOD Single : A 30 SER OG : rot 105:sc= 1.26 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -43:sc= 0.573 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 78:sc= 1.22 USER MOD Single : A 49 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.2) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0562 USER MOD Single : A 60 TYR OH : rot -140:sc= 1.2 USER MOD Single : A 64 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= -1.22 (180deg=-3.16!) USER MOD Single : A 75 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.27) USER MOD Single : A 83 LYS NZ :NH3+ -140:sc= -1.83! (180deg=-4.33!) USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.08) USER MOD Single : A 86 ASN : amide:sc=-0.00654 K(o=-0.0065,f=-0.85) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.176 14.847 -8.040 1.00 0.00 N ATOM 2 CA MET A 1 -11.980 13.650 -7.721 1.00 0.00 C ATOM 3 C MET A 1 -12.562 13.793 -6.313 1.00 0.00 C ATOM 4 O MET A 1 -12.185 14.709 -5.579 1.00 0.00 O ATOM 5 CB MET A 1 -11.105 12.396 -7.855 1.00 0.00 C ATOM 6 CG MET A 1 -11.885 11.118 -8.133 1.00 0.00 C ATOM 7 SD MET A 1 -12.248 10.181 -6.639 1.00 0.00 S ATOM 8 CE MET A 1 -10.593 9.691 -6.157 1.00 0.00 C ATOM 0 H1 MET A 1 -11.582 15.327 -8.869 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.181 15.496 -7.227 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.198 14.562 -8.249 1.00 0.00 H new ATOM 0 HA MET A 1 -12.811 13.551 -8.419 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.386 12.552 -8.660 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.532 12.266 -6.937 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.820 11.370 -8.634 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.315 10.492 -8.819 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.462 8.624 -6.339 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.863 10.251 -6.741 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.446 9.899 -5.097 1.00 0.00 H new ATOM 18 N LYS A 2 -13.481 12.910 -5.931 1.00 0.00 N ATOM 19 CA LYS A 2 -14.185 13.060 -4.659 1.00 0.00 C ATOM 20 C LYS A 2 -13.755 12.014 -3.630 1.00 0.00 C ATOM 21 O LYS A 2 -13.265 12.361 -2.558 1.00 0.00 O ATOM 22 CB LYS A 2 -15.701 12.979 -4.867 1.00 0.00 C ATOM 23 CG LYS A 2 -16.245 14.002 -5.848 1.00 0.00 C ATOM 24 CD LYS A 2 -15.966 15.427 -5.395 1.00 0.00 C ATOM 25 CE LYS A 2 -16.682 15.765 -4.096 1.00 0.00 C ATOM 26 NZ LYS A 2 -16.509 17.195 -3.729 1.00 0.00 N ATOM 0 H LYS A 2 -13.754 12.092 -6.476 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.920 14.043 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.956 11.980 -5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -16.197 13.113 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.797 13.839 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.320 13.861 -5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.892 15.561 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.280 16.122 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.744 15.541 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.298 15.134 -3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.011 17.388 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.497 17.402 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.898 17.796 -4.483 1.00 0.00 H new ATOM 40 N SER A 3 -13.940 10.742 -3.955 1.00 0.00 N ATOM 41 CA SER A 3 -13.691 9.667 -3.003 1.00 0.00 C ATOM 42 C SER A 3 -12.195 9.416 -2.805 1.00 0.00 C ATOM 43 O SER A 3 -11.606 8.544 -3.445 1.00 0.00 O ATOM 44 CB SER A 3 -14.399 8.392 -3.466 1.00 0.00 C ATOM 45 OG SER A 3 -14.139 8.139 -4.838 1.00 0.00 O ATOM 0 H SER A 3 -14.262 10.429 -4.871 1.00 0.00 H new ATOM 0 HA SER A 3 -14.094 9.971 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.063 7.546 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.473 8.489 -3.307 1.00 0.00 H new ATOM 0 HG SER A 3 -13.444 8.752 -5.158 1.00 0.00 H new ATOM 51 N SER A 4 -11.585 10.213 -1.944 1.00 0.00 N ATOM 52 CA SER A 4 -10.186 10.042 -1.592 1.00 0.00 C ATOM 53 C SER A 4 -10.049 9.911 -0.079 1.00 0.00 C ATOM 54 O SER A 4 -10.187 10.887 0.655 1.00 0.00 O ATOM 55 CB SER A 4 -9.362 11.221 -2.108 1.00 0.00 C ATOM 56 OG SER A 4 -9.546 11.394 -3.504 1.00 0.00 O ATOM 0 H SER A 4 -12.043 10.993 -1.472 1.00 0.00 H new ATOM 0 HA SER A 4 -9.808 9.132 -2.059 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.653 12.131 -1.583 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.306 11.054 -1.894 1.00 0.00 H new ATOM 0 HG SER A 4 -8.896 12.045 -3.841 1.00 0.00 H new ATOM 62 N ILE A 5 -9.783 8.699 0.375 1.00 0.00 N ATOM 63 CA ILE A 5 -9.769 8.399 1.800 1.00 0.00 C ATOM 64 C ILE A 5 -8.365 8.579 2.371 1.00 0.00 C ATOM 65 O ILE A 5 -7.389 8.122 1.777 1.00 0.00 O ATOM 66 CB ILE A 5 -10.242 6.951 2.066 1.00 0.00 C ATOM 67 CG1 ILE A 5 -11.552 6.667 1.324 1.00 0.00 C ATOM 68 CG2 ILE A 5 -10.421 6.714 3.559 1.00 0.00 C ATOM 69 CD1 ILE A 5 -12.025 5.235 1.460 1.00 0.00 C ATOM 0 H ILE A 5 -9.572 7.901 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.453 9.092 2.289 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.478 6.269 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.326 7.335 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.419 6.899 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.754 5.690 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.471 6.875 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.166 7.407 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.957 5.106 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.269 4.562 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.190 5.005 2.513 1.00 0.00 H new ATOM 81 N PRO A 6 -8.242 9.266 3.522 1.00 0.00 N ATOM 82 CA PRO A 6 -6.952 9.464 4.186 1.00 0.00 C ATOM 83 C PRO A 6 -6.370 8.166 4.741 1.00 0.00 C ATOM 84 O PRO A 6 -7.102 7.224 5.064 1.00 0.00 O ATOM 85 CB PRO A 6 -7.268 10.436 5.323 1.00 0.00 C ATOM 86 CG PRO A 6 -8.730 10.281 5.573 1.00 0.00 C ATOM 87 CD PRO A 6 -9.345 9.918 4.250 1.00 0.00 C ATOM 0 HA PRO A 6 -6.200 9.836 3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.688 10.200 6.216 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.022 11.461 5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.918 9.506 6.316 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.159 11.205 5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.195 9.247 4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.708 10.799 3.722 1.00 0.00 H new ATOM 95 N ILE A 7 -5.050 8.138 4.871 1.00 0.00 N ATOM 96 CA ILE A 7 -4.341 6.944 5.319 1.00 0.00 C ATOM 97 C ILE A 7 -4.733 6.560 6.746 1.00 0.00 C ATOM 98 O ILE A 7 -4.745 5.381 7.090 1.00 0.00 O ATOM 99 CB ILE A 7 -2.806 7.132 5.218 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.069 5.856 5.631 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.346 8.309 6.060 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.401 4.659 4.768 1.00 0.00 C ATOM 0 H ILE A 7 -4.444 8.934 4.671 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.634 6.130 4.656 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.565 7.343 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.995 6.037 5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.313 5.625 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.265 8.419 5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.833 9.219 5.710 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.609 8.135 7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.842 3.791 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.469 4.452 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.131 4.870 3.733 1.00 0.00 H new ATOM 114 N THR A 8 -5.097 7.553 7.553 1.00 0.00 N ATOM 115 CA THR A 8 -5.492 7.317 8.938 1.00 0.00 C ATOM 116 C THR A 8 -6.673 6.339 9.022 1.00 0.00 C ATOM 117 O THR A 8 -6.866 5.668 10.036 1.00 0.00 O ATOM 118 CB THR A 8 -5.853 8.647 9.647 1.00 0.00 C ATOM 119 OG1 THR A 8 -6.199 8.414 11.018 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.004 9.351 8.941 1.00 0.00 C ATOM 0 H THR A 8 -5.126 8.532 7.270 1.00 0.00 H new ATOM 0 HA THR A 8 -4.639 6.870 9.448 1.00 0.00 H new ATOM 0 HB THR A 8 -4.973 9.290 9.606 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.422 9.266 11.448 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.235 10.281 9.461 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.720 9.571 7.912 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.882 8.705 8.944 1.00 0.00 H new ATOM 128 N GLU A 9 -7.443 6.248 7.945 1.00 0.00 N ATOM 129 CA GLU A 9 -8.585 5.350 7.894 1.00 0.00 C ATOM 130 C GLU A 9 -8.237 4.061 7.154 1.00 0.00 C ATOM 131 O GLU A 9 -8.573 2.958 7.602 1.00 0.00 O ATOM 132 CB GLU A 9 -9.769 6.045 7.216 1.00 0.00 C ATOM 133 CG GLU A 9 -10.328 7.209 8.016 1.00 0.00 C ATOM 134 CD GLU A 9 -10.969 6.762 9.316 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.237 6.310 10.223 1.00 0.00 O ATOM 136 OE2 GLU A 9 -12.205 6.842 9.434 1.00 0.00 O ATOM 0 H GLU A 9 -7.295 6.788 7.093 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.860 5.090 8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.456 6.405 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.561 5.315 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.527 7.915 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.066 7.739 7.414 1.00 0.00 H new ATOM 143 N VAL A 10 -7.544 4.205 6.034 1.00 0.00 N ATOM 144 CA VAL A 10 -7.238 3.070 5.174 1.00 0.00 C ATOM 145 C VAL A 10 -6.203 2.145 5.808 1.00 0.00 C ATOM 146 O VAL A 10 -6.274 0.935 5.640 1.00 0.00 O ATOM 147 CB VAL A 10 -6.748 3.532 3.784 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.330 2.347 2.928 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.836 4.330 3.082 1.00 0.00 C ATOM 0 H VAL A 10 -7.182 5.098 5.699 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.166 2.512 5.049 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.876 4.170 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.990 2.703 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.520 1.809 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.180 1.678 2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.478 4.650 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.722 3.707 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.088 5.206 3.680 1.00 0.00 H new ATOM 159 N LEU A 11 -5.261 2.716 6.553 1.00 0.00 N ATOM 160 CA LEU A 11 -4.211 1.933 7.202 1.00 0.00 C ATOM 161 C LEU A 11 -4.790 0.796 8.067 1.00 0.00 C ATOM 162 O LEU A 11 -4.538 -0.377 7.784 1.00 0.00 O ATOM 163 CB LEU A 11 -3.297 2.856 8.021 1.00 0.00 C ATOM 164 CG LEU A 11 -2.461 2.174 9.105 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.516 1.151 8.502 1.00 0.00 C ATOM 166 CD2 LEU A 11 -1.694 3.210 9.907 1.00 0.00 C ATOM 0 H LEU A 11 -5.202 3.720 6.723 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.615 1.456 6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.621 3.368 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.913 3.622 8.492 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.137 1.646 9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.934 0.681 9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.092 0.390 7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.843 1.646 7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.103 2.711 10.675 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.032 3.766 9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.396 3.898 10.379 1.00 0.00 H new ATOM 178 N PRO A 12 -5.572 1.105 9.120 1.00 0.00 N ATOM 179 CA PRO A 12 -6.158 0.072 9.978 1.00 0.00 C ATOM 180 C PRO A 12 -7.172 -0.802 9.243 1.00 0.00 C ATOM 181 O PRO A 12 -7.316 -1.990 9.545 1.00 0.00 O ATOM 182 CB PRO A 12 -6.839 0.865 11.095 1.00 0.00 C ATOM 183 CG PRO A 12 -7.057 2.222 10.528 1.00 0.00 C ATOM 184 CD PRO A 12 -5.923 2.461 9.580 1.00 0.00 C ATOM 0 HA PRO A 12 -5.400 -0.624 10.338 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.782 0.404 11.388 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.214 0.906 11.987 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.015 2.280 10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.073 2.976 11.315 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.221 3.102 8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.082 2.948 10.074 1.00 0.00 H new ATOM 192 N ARG A 13 -7.868 -0.226 8.266 1.00 0.00 N ATOM 193 CA ARG A 13 -8.879 -0.965 7.519 1.00 0.00 C ATOM 194 C ARG A 13 -8.270 -1.741 6.355 1.00 0.00 C ATOM 195 O ARG A 13 -8.987 -2.371 5.578 1.00 0.00 O ATOM 196 CB ARG A 13 -9.955 -0.010 7.016 1.00 0.00 C ATOM 197 CG ARG A 13 -10.807 0.563 8.132 1.00 0.00 C ATOM 198 CD ARG A 13 -11.780 1.607 7.613 1.00 0.00 C ATOM 199 NE ARG A 13 -12.592 2.174 8.688 1.00 0.00 N ATOM 200 CZ ARG A 13 -12.208 3.197 9.449 1.00 0.00 C ATOM 201 NH1 ARG A 13 -10.991 3.708 9.313 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.026 3.684 10.370 1.00 0.00 N ATOM 0 H ARG A 13 -7.751 0.745 7.975 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.329 -1.692 8.195 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.482 0.807 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.597 -0.535 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.360 -0.241 8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.163 1.010 8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.227 2.404 7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.432 1.156 6.864 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.508 1.761 8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.348 3.317 8.625 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.699 4.492 9.897 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.952 3.275 10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.730 4.468 10.952 1.00 0.00 H new ATOM 216 N ALA A 14 -6.952 -1.699 6.235 1.00 0.00 N ATOM 217 CA ALA A 14 -6.266 -2.428 5.183 1.00 0.00 C ATOM 218 C ALA A 14 -5.958 -3.847 5.630 1.00 0.00 C ATOM 219 O ALA A 14 -5.746 -4.106 6.817 1.00 0.00 O ATOM 220 CB ALA A 14 -4.986 -1.716 4.775 1.00 0.00 C ATOM 0 H ALA A 14 -6.338 -1.168 6.853 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.926 -2.470 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.491 -2.282 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.226 -0.717 4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.323 -1.638 5.636 1.00 0.00 H new ATOM 226 N VAL A 15 -5.940 -4.759 4.678 1.00 0.00 N ATOM 227 CA VAL A 15 -5.645 -6.154 4.954 1.00 0.00 C ATOM 228 C VAL A 15 -4.367 -6.577 4.239 1.00 0.00 C ATOM 229 O VAL A 15 -3.927 -7.723 4.336 1.00 0.00 O ATOM 230 CB VAL A 15 -6.813 -7.069 4.527 1.00 0.00 C ATOM 231 CG1 VAL A 15 -8.025 -6.835 5.416 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.174 -6.834 3.067 1.00 0.00 C ATOM 0 H VAL A 15 -6.128 -4.557 3.696 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.506 -6.258 6.030 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.494 -8.105 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.839 -7.488 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.764 -7.054 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.342 -5.795 5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.999 -7.489 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.472 -5.795 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.310 -7.050 2.439 1.00 0.00 H new ATOM 242 N GLY A 16 -3.776 -5.637 3.517 1.00 0.00 N ATOM 243 CA GLY A 16 -2.532 -5.887 2.820 1.00 0.00 C ATOM 244 C GLY A 16 -1.862 -4.595 2.422 1.00 0.00 C ATOM 245 O GLY A 16 -2.507 -3.547 2.407 1.00 0.00 O ATOM 0 H GLY A 16 -4.143 -4.692 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.864 -6.465 3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.724 -6.489 1.932 1.00 0.00 H new ATOM 249 N SER A 17 -0.578 -4.649 2.107 1.00 0.00 N ATOM 250 CA SER A 17 0.147 -3.456 1.715 1.00 0.00 C ATOM 251 C SER A 17 1.337 -3.788 0.824 1.00 0.00 C ATOM 252 O SER A 17 2.063 -4.756 1.059 1.00 0.00 O ATOM 253 CB SER A 17 0.606 -2.687 2.959 1.00 0.00 C ATOM 254 OG SER A 17 1.267 -3.543 3.878 1.00 0.00 O ATOM 0 H SER A 17 -0.020 -5.503 2.116 1.00 0.00 H new ATOM 0 HA SER A 17 -0.530 -2.828 1.136 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.276 -1.880 2.664 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.255 -2.226 3.443 1.00 0.00 H new ATOM 0 HG SER A 17 1.550 -3.026 4.661 1.00 0.00 H new ATOM 260 N LEU A 18 1.507 -2.990 -0.218 1.00 0.00 N ATOM 261 CA LEU A 18 2.659 -3.092 -1.091 1.00 0.00 C ATOM 262 C LEU A 18 3.523 -1.850 -0.951 1.00 0.00 C ATOM 263 O LEU A 18 3.088 -0.743 -1.266 1.00 0.00 O ATOM 264 CB LEU A 18 2.224 -3.260 -2.542 1.00 0.00 C ATOM 265 CG LEU A 18 1.964 -4.700 -2.975 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.389 -4.741 -4.381 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.249 -5.507 -2.913 1.00 0.00 C ATOM 0 H LEU A 18 0.850 -2.255 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 18 3.237 -3.970 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.316 -2.679 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.993 -2.836 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 18 1.237 -5.139 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.211 -5.776 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.449 -4.190 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.095 -4.286 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.050 -6.532 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.990 -5.063 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.631 -5.505 -1.892 1.00 0.00 H new ATOM 279 N THR A 19 4.733 -2.033 -0.467 1.00 0.00 N ATOM 280 CA THR A 19 5.632 -0.919 -0.225 1.00 0.00 C ATOM 281 C THR A 19 6.586 -0.717 -1.398 1.00 0.00 C ATOM 282 O THR A 19 7.449 -1.550 -1.655 1.00 0.00 O ATOM 283 CB THR A 19 6.440 -1.146 1.064 1.00 0.00 C ATOM 284 OG1 THR A 19 5.541 -1.403 2.150 1.00 0.00 O ATOM 285 CG2 THR A 19 7.305 0.063 1.391 1.00 0.00 C ATOM 0 H THR A 19 5.121 -2.947 -0.232 1.00 0.00 H new ATOM 0 HA THR A 19 5.023 -0.022 -0.113 1.00 0.00 H new ATOM 0 HB THR A 19 7.097 -2.003 0.913 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.054 -1.550 2.972 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.864 -0.127 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.001 0.245 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.670 0.938 1.528 1.00 0.00 H new ATOM 293 N PHE A 20 6.400 0.380 -2.117 1.00 0.00 N ATOM 294 CA PHE A 20 7.278 0.749 -3.220 1.00 0.00 C ATOM 295 C PHE A 20 8.199 1.885 -2.785 1.00 0.00 C ATOM 296 O PHE A 20 7.910 2.596 -1.817 1.00 0.00 O ATOM 297 CB PHE A 20 6.459 1.191 -4.442 1.00 0.00 C ATOM 298 CG PHE A 20 5.777 0.078 -5.188 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.023 -0.876 -4.525 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.885 0.002 -6.565 1.00 0.00 C ATOM 301 CE1 PHE A 20 4.394 -1.886 -5.226 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.258 -1.004 -7.270 1.00 0.00 C ATOM 303 CZ PHE A 20 4.511 -1.947 -6.599 1.00 0.00 C ATOM 0 H PHE A 20 5.638 1.039 -1.954 1.00 0.00 H new ATOM 0 HA PHE A 20 7.873 -0.122 -3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.703 1.905 -4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.119 1.719 -5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.926 -0.830 -3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.468 0.740 -7.095 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.811 -2.627 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.352 -1.052 -8.345 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.017 -2.735 -7.148 1.00 0.00 H new ATOM 313 N ASP A 21 9.307 2.054 -3.489 1.00 0.00 N ATOM 314 CA ASP A 21 10.247 3.119 -3.170 1.00 0.00 C ATOM 315 C ASP A 21 9.987 4.337 -4.054 1.00 0.00 C ATOM 316 O ASP A 21 9.059 4.334 -4.862 1.00 0.00 O ATOM 317 CB ASP A 21 11.696 2.635 -3.326 1.00 0.00 C ATOM 318 CG ASP A 21 12.241 2.796 -4.729 1.00 0.00 C ATOM 319 OD1 ASP A 21 11.746 2.129 -5.655 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.182 3.599 -4.909 1.00 0.00 O ATOM 0 H ASP A 21 9.577 1.471 -4.281 1.00 0.00 H new ATOM 0 HA ASP A 21 10.099 3.407 -2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.331 3.187 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.752 1.584 -3.042 1.00 0.00 H new ATOM 325 N GLU A 22 10.807 5.370 -3.895 1.00 0.00 N ATOM 326 CA GLU A 22 10.651 6.608 -4.650 1.00 0.00 C ATOM 327 C GLU A 22 10.900 6.395 -6.143 1.00 0.00 C ATOM 328 O GLU A 22 10.497 7.213 -6.973 1.00 0.00 O ATOM 329 CB GLU A 22 11.602 7.668 -4.094 1.00 0.00 C ATOM 330 CG GLU A 22 13.051 7.214 -4.039 1.00 0.00 C ATOM 331 CD GLU A 22 13.949 8.217 -3.349 1.00 0.00 C ATOM 332 OE1 GLU A 22 13.974 8.231 -2.102 1.00 0.00 O ATOM 333 OE2 GLU A 22 14.642 8.982 -4.050 1.00 0.00 O ATOM 0 H GLU A 22 11.593 5.374 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 22 9.621 6.948 -4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.534 8.565 -4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.278 7.945 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.109 6.260 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.414 7.044 -5.053 1.00 0.00 H new ATOM 340 N ASN A 23 11.565 5.297 -6.480 1.00 0.00 N ATOM 341 CA ASN A 23 11.830 4.946 -7.864 1.00 0.00 C ATOM 342 C ASN A 23 10.787 3.955 -8.378 1.00 0.00 C ATOM 343 O ASN A 23 10.936 3.388 -9.460 1.00 0.00 O ATOM 344 CB ASN A 23 13.232 4.354 -7.999 1.00 0.00 C ATOM 345 CG ASN A 23 14.326 5.347 -7.651 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.802 6.090 -8.508 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.735 5.359 -6.392 1.00 0.00 N ATOM 0 H ASN A 23 11.933 4.629 -5.803 1.00 0.00 H new ATOM 0 HA ASN A 23 11.770 5.852 -8.467 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.318 3.483 -7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.377 4.004 -9.021 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.472 6.002 -6.101 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.313 4.726 -5.713 1.00 0.00 H new ATOM 354 N TYR A 24 9.736 3.757 -7.581 1.00 0.00 N ATOM 355 CA TYR A 24 8.590 2.919 -7.958 1.00 0.00 C ATOM 356 C TYR A 24 8.964 1.439 -8.093 1.00 0.00 C ATOM 357 O TYR A 24 8.417 0.729 -8.940 1.00 0.00 O ATOM 358 CB TYR A 24 7.960 3.426 -9.262 1.00 0.00 C ATOM 359 CG TYR A 24 7.417 4.835 -9.170 1.00 0.00 C ATOM 360 CD1 TYR A 24 6.152 5.081 -8.651 1.00 0.00 C ATOM 361 CD2 TYR A 24 8.170 5.919 -9.606 1.00 0.00 C ATOM 362 CE1 TYR A 24 5.653 6.367 -8.568 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.678 7.208 -9.526 1.00 0.00 C ATOM 364 CZ TYR A 24 6.420 7.427 -9.008 1.00 0.00 C ATOM 365 OH TYR A 24 5.928 8.710 -8.930 1.00 0.00 O ATOM 0 H TYR A 24 9.653 4.173 -6.653 1.00 0.00 H new ATOM 0 HA TYR A 24 7.862 2.996 -7.150 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.707 3.385 -10.055 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.152 2.753 -9.550 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.549 4.254 -8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.156 5.751 -10.014 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.668 6.542 -8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.276 8.040 -9.868 1.00 0.00 H new ATOM 0 HH TYR A 24 5.922 9.002 -7.994 1.00 0.00 H new ATOM 375 N ASN A 25 9.879 0.973 -7.254 1.00 0.00 N ATOM 376 CA ASN A 25 10.216 -0.449 -7.205 1.00 0.00 C ATOM 377 C ASN A 25 9.570 -1.083 -5.982 1.00 0.00 C ATOM 378 O ASN A 25 9.479 -0.449 -4.929 1.00 0.00 O ATOM 379 CB ASN A 25 11.732 -0.661 -7.139 1.00 0.00 C ATOM 380 CG ASN A 25 12.472 -0.079 -8.326 1.00 0.00 C ATOM 381 OD1 ASN A 25 12.688 -0.751 -9.336 1.00 0.00 O ATOM 382 ND2 ASN A 25 12.874 1.174 -8.207 1.00 0.00 N ATOM 0 H ASN A 25 10.402 1.554 -6.599 1.00 0.00 H new ATOM 0 HA ASN A 25 9.842 -0.916 -8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.115 -0.209 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.940 -1.729 -7.079 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.384 1.620 -8.969 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.674 1.695 -7.353 1.00 0.00 H new ATOM 389 N LEU A 26 9.112 -2.320 -6.119 1.00 0.00 N ATOM 390 CA LEU A 26 8.519 -3.037 -5.004 1.00 0.00 C ATOM 391 C LEU A 26 9.582 -3.423 -3.984 1.00 0.00 C ATOM 392 O LEU A 26 10.541 -4.130 -4.302 1.00 0.00 O ATOM 393 CB LEU A 26 7.784 -4.284 -5.502 1.00 0.00 C ATOM 394 CG LEU A 26 7.235 -5.196 -4.405 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.380 -4.402 -3.434 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.436 -6.337 -5.015 1.00 0.00 C ATOM 0 H LEU A 26 9.141 -2.846 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 26 7.800 -2.378 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.957 -3.969 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.465 -4.862 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 26 8.074 -5.621 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.997 -5.066 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.983 -3.619 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.545 -3.950 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.052 -6.977 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.603 -5.932 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.080 -6.921 -5.673 1.00 0.00 H new ATOM 408 N LEU A 27 9.407 -2.945 -2.765 1.00 0.00 N ATOM 409 CA LEU A 27 10.326 -3.245 -1.682 1.00 0.00 C ATOM 410 C LEU A 27 9.768 -4.356 -0.805 1.00 0.00 C ATOM 411 O LEU A 27 10.408 -5.389 -0.607 1.00 0.00 O ATOM 412 CB LEU A 27 10.558 -2.000 -0.824 1.00 0.00 C ATOM 413 CG LEU A 27 11.085 -0.774 -1.564 1.00 0.00 C ATOM 414 CD1 LEU A 27 11.181 0.405 -0.609 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.438 -1.067 -2.196 1.00 0.00 C ATOM 0 H LEU A 27 8.629 -2.342 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 27 11.271 -3.569 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.618 -1.734 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.262 -2.254 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 27 10.389 -0.521 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.558 1.277 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.194 0.627 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.861 0.158 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.795 -0.180 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.151 -1.342 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.338 -1.889 -2.904 1.00 0.00 H new ATOM 427 N ASP A 28 8.562 -4.142 -0.300 1.00 0.00 N ATOM 428 CA ASP A 28 7.971 -5.046 0.680 1.00 0.00 C ATOM 429 C ASP A 28 6.546 -5.420 0.309 1.00 0.00 C ATOM 430 O ASP A 28 5.740 -4.563 -0.053 1.00 0.00 O ATOM 431 CB ASP A 28 7.992 -4.398 2.068 1.00 0.00 C ATOM 432 CG ASP A 28 7.360 -5.272 3.135 1.00 0.00 C ATOM 433 OD1 ASP A 28 8.079 -6.103 3.727 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.150 -5.125 3.397 1.00 0.00 O ATOM 0 H ASP A 28 7.971 -3.349 -0.552 1.00 0.00 H new ATOM 0 HA ASP A 28 8.566 -5.959 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.023 -4.181 2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.465 -3.445 2.027 1.00 0.00 H new ATOM 439 N THR A 29 6.252 -6.705 0.391 1.00 0.00 N ATOM 440 CA THR A 29 4.913 -7.203 0.148 1.00 0.00 C ATOM 441 C THR A 29 4.348 -7.823 1.422 1.00 0.00 C ATOM 442 O THR A 29 4.891 -8.808 1.931 1.00 0.00 O ATOM 443 CB THR A 29 4.916 -8.255 -0.976 1.00 0.00 C ATOM 444 OG1 THR A 29 5.590 -7.739 -2.131 1.00 0.00 O ATOM 445 CG2 THR A 29 3.496 -8.650 -1.346 1.00 0.00 C ATOM 0 H THR A 29 6.932 -7.428 0.627 1.00 0.00 H new ATOM 0 HA THR A 29 4.288 -6.364 -0.159 1.00 0.00 H new ATOM 0 HB THR A 29 5.442 -9.139 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.872 -8.482 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.521 -9.394 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.996 -9.069 -0.473 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.951 -7.770 -1.689 1.00 0.00 H new ATOM 453 N SER A 30 3.277 -7.246 1.946 1.00 0.00 N ATOM 454 CA SER A 30 2.692 -7.729 3.186 1.00 0.00 C ATOM 455 C SER A 30 1.170 -7.840 3.085 1.00 0.00 C ATOM 456 O SER A 30 0.536 -7.170 2.270 1.00 0.00 O ATOM 457 CB SER A 30 3.079 -6.802 4.336 1.00 0.00 C ATOM 458 OG SER A 30 4.487 -6.806 4.546 1.00 0.00 O ATOM 0 H SER A 30 2.797 -6.446 1.533 1.00 0.00 H new ATOM 0 HA SER A 30 3.083 -8.728 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.744 -5.788 4.118 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.571 -7.117 5.248 1.00 0.00 H new ATOM 0 HG SER A 30 4.871 -5.973 4.202 1.00 0.00 H new ATOM 464 N GLY A 31 0.599 -8.707 3.913 1.00 0.00 N ATOM 465 CA GLY A 31 -0.841 -8.875 3.958 1.00 0.00 C ATOM 466 C GLY A 31 -1.382 -9.635 2.764 1.00 0.00 C ATOM 467 O GLY A 31 -0.684 -10.463 2.178 1.00 0.00 O ATOM 0 H GLY A 31 1.115 -9.303 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.112 -9.403 4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.315 -7.895 4.004 1.00 0.00 H new ATOM 471 N VAL A 32 -2.622 -9.338 2.393 1.00 0.00 N ATOM 472 CA VAL A 32 -3.269 -9.985 1.253 1.00 0.00 C ATOM 473 C VAL A 32 -2.534 -9.656 -0.047 1.00 0.00 C ATOM 474 O VAL A 32 -2.659 -10.362 -1.045 1.00 0.00 O ATOM 475 CB VAL A 32 -4.751 -9.558 1.133 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.434 -10.264 -0.027 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.494 -9.842 2.426 1.00 0.00 C ATOM 0 H VAL A 32 -3.205 -8.648 2.868 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.229 -11.061 1.423 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.773 -8.485 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.474 -9.944 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.924 -10.013 -0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.395 -11.342 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.535 -9.535 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.450 -10.909 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.031 -9.286 3.241 1.00 0.00 H new ATOM 487 N ALA A 33 -1.731 -8.601 -0.015 1.00 0.00 N ATOM 488 CA ALA A 33 -0.955 -8.190 -1.180 1.00 0.00 C ATOM 489 C ALA A 33 0.023 -9.284 -1.602 1.00 0.00 C ATOM 490 O ALA A 33 0.555 -9.255 -2.708 1.00 0.00 O ATOM 491 CB ALA A 33 -0.208 -6.898 -0.888 1.00 0.00 C ATOM 0 H ALA A 33 -1.599 -8.012 0.807 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.647 -8.018 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.367 -6.604 -1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.922 -6.112 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.468 -7.051 -0.047 1.00 0.00 H new ATOM 497 N LYS A 34 0.254 -10.247 -0.713 1.00 0.00 N ATOM 498 CA LYS A 34 1.149 -11.354 -0.997 1.00 0.00 C ATOM 499 C LYS A 34 0.477 -12.390 -1.892 1.00 0.00 C ATOM 500 O LYS A 34 1.152 -13.126 -2.607 1.00 0.00 O ATOM 501 CB LYS A 34 1.599 -12.021 0.302 1.00 0.00 C ATOM 502 CG LYS A 34 2.303 -11.082 1.266 1.00 0.00 C ATOM 503 CD LYS A 34 2.774 -11.816 2.513 1.00 0.00 C ATOM 504 CE LYS A 34 1.611 -12.429 3.283 1.00 0.00 C ATOM 505 NZ LYS A 34 2.077 -13.176 4.479 1.00 0.00 N ATOM 0 H LYS A 34 -0.171 -10.278 0.214 1.00 0.00 H new ATOM 0 HA LYS A 34 2.017 -10.952 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.729 -12.450 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.268 -12.847 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.157 -10.621 0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.627 -10.276 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.476 -12.600 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.314 -11.124 3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.923 -11.642 3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.055 -13.100 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.258 -13.579 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.714 -13.943 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.586 -12.530 5.115 1.00 0.00 H new ATOM 519 N VAL A 35 -0.850 -12.454 -1.846 1.00 0.00 N ATOM 520 CA VAL A 35 -1.584 -13.438 -2.639 1.00 0.00 C ATOM 521 C VAL A 35 -2.236 -12.782 -3.852 1.00 0.00 C ATOM 522 O VAL A 35 -2.704 -13.463 -4.767 1.00 0.00 O ATOM 523 CB VAL A 35 -2.651 -14.182 -1.803 1.00 0.00 C ATOM 524 CG1 VAL A 35 -2.012 -14.846 -0.593 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.770 -13.246 -1.372 1.00 0.00 C ATOM 0 H VAL A 35 -1.435 -11.844 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.856 -14.174 -2.980 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.090 -14.955 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.778 -15.365 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.260 -15.562 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.539 -14.087 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.503 -13.801 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.357 -12.440 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.253 -12.826 -2.254 1.00 0.00 H new ATOM 535 N ILE A 36 -2.280 -11.455 -3.847 1.00 0.00 N ATOM 536 CA ILE A 36 -2.747 -10.700 -4.997 1.00 0.00 C ATOM 537 C ILE A 36 -1.623 -10.587 -6.025 1.00 0.00 C ATOM 538 O ILE A 36 -0.453 -10.479 -5.657 1.00 0.00 O ATOM 539 CB ILE A 36 -3.224 -9.291 -4.575 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.435 -9.406 -3.645 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.569 -8.441 -5.790 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.813 -8.102 -2.983 1.00 0.00 C ATOM 0 H ILE A 36 -1.996 -10.880 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.593 -11.226 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.410 -8.799 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.287 -9.775 -4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.222 -10.147 -2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.901 -7.456 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.687 -8.335 -6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.366 -8.923 -6.357 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.678 -8.258 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.976 -7.742 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.058 -7.364 -3.747 1.00 0.00 H new ATOM 554 N GLU A 37 -1.976 -10.643 -7.304 1.00 0.00 N ATOM 555 CA GLU A 37 -0.990 -10.567 -8.373 1.00 0.00 C ATOM 556 C GLU A 37 -0.267 -9.225 -8.360 1.00 0.00 C ATOM 557 O GLU A 37 -0.804 -8.214 -7.904 1.00 0.00 O ATOM 558 CB GLU A 37 -1.656 -10.768 -9.737 1.00 0.00 C ATOM 559 CG GLU A 37 -2.623 -9.657 -10.113 1.00 0.00 C ATOM 560 CD GLU A 37 -2.901 -9.608 -11.597 1.00 0.00 C ATOM 561 OE1 GLU A 37 -2.016 -9.153 -12.356 1.00 0.00 O ATOM 562 OE2 GLU A 37 -4.008 -10.008 -12.014 1.00 0.00 O ATOM 0 H GLU A 37 -2.939 -10.741 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.263 -11.361 -8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.883 -10.840 -10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.191 -11.718 -9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.561 -9.799 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.213 -8.699 -9.792 1.00 0.00 H new ATOM 569 N LYS A 38 0.954 -9.217 -8.865 1.00 0.00 N ATOM 570 CA LYS A 38 1.720 -7.988 -8.967 1.00 0.00 C ATOM 571 C LYS A 38 1.507 -7.348 -10.330 1.00 0.00 C ATOM 572 O LYS A 38 2.283 -7.559 -11.265 1.00 0.00 O ATOM 573 CB LYS A 38 3.211 -8.234 -8.714 1.00 0.00 C ATOM 574 CG LYS A 38 3.603 -8.247 -7.240 1.00 0.00 C ATOM 575 CD LYS A 38 2.821 -9.280 -6.446 1.00 0.00 C ATOM 576 CE LYS A 38 3.379 -9.443 -5.042 1.00 0.00 C ATOM 577 NZ LYS A 38 4.721 -10.084 -5.051 1.00 0.00 N ATOM 0 H LYS A 38 1.436 -10.047 -9.210 1.00 0.00 H new ATOM 0 HA LYS A 38 1.364 -7.304 -8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.491 -9.188 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.787 -7.462 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.669 -8.455 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.434 -7.259 -6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.774 -8.981 -6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.852 -10.238 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.446 -8.467 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.693 -10.045 -4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.950 -10.423 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.718 -10.887 -5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.435 -9.391 -5.353 1.00 0.00 H new ATOM 591 N SER A 39 0.415 -6.610 -10.445 1.00 0.00 N ATOM 592 CA SER A 39 0.095 -5.881 -11.661 1.00 0.00 C ATOM 593 C SER A 39 1.017 -4.664 -11.808 1.00 0.00 C ATOM 594 O SER A 39 1.779 -4.356 -10.890 1.00 0.00 O ATOM 595 CB SER A 39 -1.370 -5.437 -11.607 1.00 0.00 C ATOM 596 OG SER A 39 -2.217 -6.526 -11.283 1.00 0.00 O ATOM 0 H SER A 39 -0.273 -6.500 -9.700 1.00 0.00 H new ATOM 0 HA SER A 39 0.245 -6.529 -12.525 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.488 -4.647 -10.866 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.663 -5.017 -12.569 1.00 0.00 H new ATOM 0 HG SER A 39 -1.939 -7.318 -11.788 1.00 0.00 H new ATOM 602 N PRO A 40 0.977 -3.964 -12.963 1.00 0.00 N ATOM 603 CA PRO A 40 1.735 -2.718 -13.168 1.00 0.00 C ATOM 604 C PRO A 40 1.191 -1.569 -12.313 1.00 0.00 C ATOM 605 O PRO A 40 0.852 -0.497 -12.817 1.00 0.00 O ATOM 606 CB PRO A 40 1.536 -2.418 -14.655 1.00 0.00 C ATOM 607 CG PRO A 40 0.265 -3.102 -15.014 1.00 0.00 C ATOM 608 CD PRO A 40 0.217 -4.344 -14.171 1.00 0.00 C ATOM 0 HA PRO A 40 2.781 -2.823 -12.881 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.473 -1.345 -14.837 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.369 -2.794 -15.249 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.594 -2.461 -14.815 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.240 -3.349 -16.075 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.808 -4.627 -13.929 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.670 -5.194 -14.681 1.00 0.00 H new ATOM 616 N ILE A 41 1.137 -1.803 -11.011 1.00 0.00 N ATOM 617 CA ILE A 41 0.570 -0.860 -10.066 1.00 0.00 C ATOM 618 C ILE A 41 1.402 0.415 -9.999 1.00 0.00 C ATOM 619 O ILE A 41 0.864 1.497 -9.780 1.00 0.00 O ATOM 620 CB ILE A 41 0.455 -1.495 -8.662 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.371 -2.782 -8.743 1.00 0.00 C ATOM 622 CG2 ILE A 41 -0.174 -0.521 -7.675 1.00 0.00 C ATOM 623 CD1 ILE A 41 -0.492 -3.520 -7.428 1.00 0.00 C ATOM 0 H ILE A 41 1.488 -2.658 -10.580 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.429 -0.600 -10.415 1.00 0.00 H new ATOM 0 HB ILE A 41 1.456 -1.735 -8.305 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.370 -2.538 -9.104 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.081 -3.446 -9.480 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.244 -0.991 -6.694 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.443 0.375 -7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.172 -0.248 -8.019 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.091 -4.419 -7.569 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.501 -3.797 -7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.973 -2.876 -6.692 1.00 0.00 H new ATOM 635 N ALA A 42 2.707 0.288 -10.227 1.00 0.00 N ATOM 636 CA ALA A 42 3.613 1.437 -10.203 1.00 0.00 C ATOM 637 C ALA A 42 3.148 2.520 -11.172 1.00 0.00 C ATOM 638 O ALA A 42 3.295 3.714 -10.903 1.00 0.00 O ATOM 639 CB ALA A 42 5.034 1.006 -10.541 1.00 0.00 C ATOM 0 H ALA A 42 3.163 -0.601 -10.431 1.00 0.00 H new ATOM 0 HA ALA A 42 3.602 1.851 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.693 1.874 -10.518 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.375 0.272 -9.811 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.053 0.563 -11.537 1.00 0.00 H new ATOM 645 N GLU A 43 2.561 2.090 -12.283 1.00 0.00 N ATOM 646 CA GLU A 43 2.040 3.007 -13.286 1.00 0.00 C ATOM 647 C GLU A 43 0.863 3.798 -12.719 1.00 0.00 C ATOM 648 O GLU A 43 0.703 4.987 -12.986 1.00 0.00 O ATOM 649 CB GLU A 43 1.599 2.229 -14.530 1.00 0.00 C ATOM 650 CG GLU A 43 1.215 3.114 -15.704 1.00 0.00 C ATOM 651 CD GLU A 43 2.374 3.960 -16.189 1.00 0.00 C ATOM 652 OE1 GLU A 43 3.329 3.393 -16.753 1.00 0.00 O ATOM 653 OE2 GLU A 43 2.339 5.189 -15.997 1.00 0.00 O ATOM 0 H GLU A 43 2.434 1.104 -12.511 1.00 0.00 H new ATOM 0 HA GLU A 43 2.829 3.705 -13.566 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.407 1.565 -14.837 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.749 1.598 -14.270 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.855 2.491 -16.523 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.391 3.764 -15.412 1.00 0.00 H new ATOM 660 N ILE A 44 0.047 3.140 -11.916 1.00 0.00 N ATOM 661 CA ILE A 44 -1.112 3.789 -11.337 1.00 0.00 C ATOM 662 C ILE A 44 -0.699 4.585 -10.099 1.00 0.00 C ATOM 663 O ILE A 44 -1.327 5.587 -9.754 1.00 0.00 O ATOM 664 CB ILE A 44 -2.214 2.773 -10.967 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.357 1.704 -12.059 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.542 3.492 -10.763 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.750 2.257 -13.414 1.00 0.00 C ATOM 0 H ILE A 44 0.165 2.162 -11.652 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.523 4.465 -12.087 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.929 2.280 -10.038 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.412 1.170 -12.156 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.104 0.975 -11.744 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.312 2.766 -10.502 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.442 4.220 -9.958 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.823 4.005 -11.683 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.831 1.440 -14.131 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.710 2.766 -13.335 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.992 2.963 -13.753 1.00 0.00 H new ATOM 679 N ILE A 45 0.373 4.143 -9.443 1.00 0.00 N ATOM 680 CA ILE A 45 0.911 4.847 -8.285 1.00 0.00 C ATOM 681 C ILE A 45 1.352 6.249 -8.680 1.00 0.00 C ATOM 682 O ILE A 45 1.009 7.227 -8.011 1.00 0.00 O ATOM 683 CB ILE A 45 2.115 4.107 -7.654 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.694 2.735 -7.121 1.00 0.00 C ATOM 685 CG2 ILE A 45 2.726 4.941 -6.534 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.837 1.944 -6.516 1.00 0.00 C ATOM 0 H ILE A 45 0.886 3.298 -9.696 1.00 0.00 H new ATOM 0 HA ILE A 45 0.111 4.892 -7.546 1.00 0.00 H new ATOM 0 HB ILE A 45 2.865 3.958 -8.431 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.917 2.869 -6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.254 2.158 -7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.571 4.406 -6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.068 5.895 -6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.977 5.120 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.466 0.983 -6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.605 1.778 -7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.263 2.501 -5.682 1.00 0.00 H new ATOM 698 N ARG A 46 2.106 6.337 -9.772 1.00 0.00 N ATOM 699 CA ARG A 46 2.586 7.618 -10.266 1.00 0.00 C ATOM 700 C ARG A 46 1.419 8.488 -10.718 1.00 0.00 C ATOM 701 O ARG A 46 1.383 9.686 -10.437 1.00 0.00 O ATOM 702 CB ARG A 46 3.592 7.417 -11.405 1.00 0.00 C ATOM 703 CG ARG A 46 3.075 6.587 -12.565 1.00 0.00 C ATOM 704 CD ARG A 46 4.149 6.340 -13.611 1.00 0.00 C ATOM 705 NE ARG A 46 4.673 7.582 -14.177 1.00 0.00 N ATOM 706 CZ ARG A 46 5.111 7.701 -15.432 1.00 0.00 C ATOM 707 NH1 ARG A 46 4.970 6.694 -16.287 1.00 0.00 N ATOM 708 NH2 ARG A 46 5.663 8.840 -15.836 1.00 0.00 N ATOM 0 H ARG A 46 2.396 5.534 -10.330 1.00 0.00 H new ATOM 0 HA ARG A 46 3.097 8.131 -9.452 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.895 8.394 -11.781 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.485 6.939 -11.003 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.706 5.632 -12.191 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.229 7.097 -13.027 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.966 5.775 -13.162 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.738 5.724 -14.411 1.00 0.00 H new ATOM 0 HE ARG A 46 4.706 8.406 -13.577 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.526 5.827 -15.985 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.306 6.788 -17.246 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.752 9.622 -15.187 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.998 8.932 -16.795 1.00 0.00 H new ATOM 722 N LYS A 47 0.451 7.874 -11.390 1.00 0.00 N ATOM 723 CA LYS A 47 -0.756 8.583 -11.791 1.00 0.00 C ATOM 724 C LYS A 47 -1.454 9.164 -10.568 1.00 0.00 C ATOM 725 O LYS A 47 -1.787 10.349 -10.533 1.00 0.00 O ATOM 726 CB LYS A 47 -1.713 7.658 -12.552 1.00 0.00 C ATOM 727 CG LYS A 47 -1.166 7.184 -13.885 1.00 0.00 C ATOM 728 CD LYS A 47 -2.165 6.302 -14.617 1.00 0.00 C ATOM 729 CE LYS A 47 -1.571 5.777 -15.912 1.00 0.00 C ATOM 730 NZ LYS A 47 -2.560 5.026 -16.731 1.00 0.00 N ATOM 0 H LYS A 47 0.479 6.893 -11.667 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.466 9.395 -12.458 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.937 6.790 -11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.654 8.181 -12.720 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.918 8.046 -14.505 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.241 6.631 -13.724 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.455 5.467 -13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.071 6.870 -14.831 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.182 6.612 -16.494 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.726 5.127 -15.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.104 4.689 -17.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.913 4.212 -16.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.355 5.651 -16.975 1.00 0.00 H new ATOM 744 N SER A 48 -1.628 8.334 -9.546 1.00 0.00 N ATOM 745 CA SER A 48 -2.297 8.750 -8.327 1.00 0.00 C ATOM 746 C SER A 48 -1.447 9.747 -7.548 1.00 0.00 C ATOM 747 O SER A 48 -1.956 10.493 -6.722 1.00 0.00 O ATOM 748 CB SER A 48 -2.601 7.542 -7.454 1.00 0.00 C ATOM 749 OG SER A 48 -3.314 6.559 -8.178 1.00 0.00 O ATOM 0 H SER A 48 -1.312 7.364 -9.542 1.00 0.00 H new ATOM 0 HA SER A 48 -3.231 9.237 -8.607 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.670 7.118 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.183 7.853 -6.587 1.00 0.00 H new ATOM 0 HG SER A 48 -2.696 6.069 -8.760 1.00 0.00 H new ATOM 755 N ASN A 49 -0.150 9.750 -7.806 1.00 0.00 N ATOM 756 CA ASN A 49 0.746 10.701 -7.165 1.00 0.00 C ATOM 757 C ASN A 49 0.440 12.106 -7.662 1.00 0.00 C ATOM 758 O ASN A 49 0.544 13.081 -6.922 1.00 0.00 O ATOM 759 CB ASN A 49 2.208 10.332 -7.441 1.00 0.00 C ATOM 760 CG ASN A 49 3.187 11.379 -6.945 1.00 0.00 C ATOM 761 OD1 ASN A 49 3.549 11.398 -5.771 1.00 0.00 O ATOM 762 ND2 ASN A 49 3.649 12.232 -7.842 1.00 0.00 N ATOM 0 H ASN A 49 0.306 9.107 -8.453 1.00 0.00 H new ATOM 0 HA ASN A 49 0.590 10.668 -6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.432 9.378 -6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.346 10.193 -8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.332 12.939 -7.569 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.323 12.183 -8.807 1.00 0.00 H new ATOM 769 N ALA A 50 0.050 12.193 -8.922 1.00 0.00 N ATOM 770 CA ALA A 50 -0.379 13.456 -9.501 1.00 0.00 C ATOM 771 C ALA A 50 -1.826 13.761 -9.122 1.00 0.00 C ATOM 772 O ALA A 50 -2.253 14.912 -9.128 1.00 0.00 O ATOM 773 CB ALA A 50 -0.220 13.417 -11.011 1.00 0.00 C ATOM 0 H ALA A 50 0.021 11.402 -9.566 1.00 0.00 H new ATOM 0 HA ALA A 50 0.250 14.252 -9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.544 14.367 -11.436 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.827 13.245 -11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.829 12.611 -11.420 1.00 0.00 H new ATOM 779 N GLU A 51 -2.573 12.716 -8.789 1.00 0.00 N ATOM 780 CA GLU A 51 -3.980 12.854 -8.426 1.00 0.00 C ATOM 781 C GLU A 51 -4.144 13.414 -7.016 1.00 0.00 C ATOM 782 O GLU A 51 -5.050 14.210 -6.753 1.00 0.00 O ATOM 783 CB GLU A 51 -4.682 11.495 -8.499 1.00 0.00 C ATOM 784 CG GLU A 51 -4.693 10.871 -9.883 1.00 0.00 C ATOM 785 CD GLU A 51 -5.603 11.595 -10.846 1.00 0.00 C ATOM 786 OE1 GLU A 51 -5.153 12.570 -11.484 1.00 0.00 O ATOM 787 OE2 GLU A 51 -6.772 11.183 -10.982 1.00 0.00 O ATOM 0 H GLU A 51 -2.226 11.757 -8.762 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.430 13.549 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.193 10.809 -7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.711 11.612 -8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.679 10.867 -10.282 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.009 9.831 -9.805 1.00 0.00 H new ATOM 794 N LEU A 52 -3.275 12.998 -6.106 1.00 0.00 N ATOM 795 CA LEU A 52 -3.469 13.292 -4.694 1.00 0.00 C ATOM 796 C LEU A 52 -2.157 13.483 -3.948 1.00 0.00 C ATOM 797 O LEU A 52 -1.080 13.497 -4.542 1.00 0.00 O ATOM 798 CB LEU A 52 -4.270 12.152 -4.050 1.00 0.00 C ATOM 799 CG LEU A 52 -3.743 10.735 -4.317 1.00 0.00 C ATOM 800 CD1 LEU A 52 -2.425 10.465 -3.610 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.772 9.717 -3.896 1.00 0.00 C ATOM 0 H LEU A 52 -2.435 12.460 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.014 14.234 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.295 12.314 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.299 12.210 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.558 10.653 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.095 9.450 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.674 11.174 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.560 10.577 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.391 8.714 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.980 9.828 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.690 9.872 -4.463 1.00 0.00 H new ATOM 813 N GLY A 53 -2.273 13.619 -2.634 1.00 0.00 N ATOM 814 CA GLY A 53 -1.112 13.646 -1.773 1.00 0.00 C ATOM 815 C GLY A 53 -1.154 12.528 -0.744 1.00 0.00 C ATOM 816 O GLY A 53 -0.650 11.432 -0.987 1.00 0.00 O ATOM 0 H GLY A 53 -3.164 13.712 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.209 13.553 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.058 14.608 -1.264 1.00 0.00 H new ATOM 820 N ARG A 54 -1.800 12.791 0.384 1.00 0.00 N ATOM 821 CA ARG A 54 -1.828 11.839 1.496 1.00 0.00 C ATOM 822 C ARG A 54 -3.082 10.955 1.450 1.00 0.00 C ATOM 823 O ARG A 54 -3.346 10.174 2.365 1.00 0.00 O ATOM 824 CB ARG A 54 -1.782 12.602 2.823 1.00 0.00 C ATOM 825 CG ARG A 54 -1.482 11.728 4.030 1.00 0.00 C ATOM 826 CD ARG A 54 -2.317 12.145 5.224 1.00 0.00 C ATOM 827 NE ARG A 54 -2.119 13.551 5.570 1.00 0.00 N ATOM 828 CZ ARG A 54 -2.874 14.216 6.443 1.00 0.00 C ATOM 829 NH1 ARG A 54 -3.832 13.586 7.114 1.00 0.00 N ATOM 830 NH2 ARG A 54 -2.664 15.511 6.652 1.00 0.00 N ATOM 0 H ARG A 54 -2.313 13.655 0.557 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.957 11.190 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.024 13.382 2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.739 13.100 2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.684 10.685 3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.423 11.798 4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.371 11.971 5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.060 11.522 6.081 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.357 14.054 5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.991 12.590 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.408 14.098 7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.925 15.996 6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.242 16.020 7.321 1.00 0.00 H new ATOM 844 N LEU A 55 -3.854 11.088 0.384 1.00 0.00 N ATOM 845 CA LEU A 55 -5.074 10.300 0.225 1.00 0.00 C ATOM 846 C LEU A 55 -4.764 8.985 -0.485 1.00 0.00 C ATOM 847 O LEU A 55 -3.674 8.812 -1.035 1.00 0.00 O ATOM 848 CB LEU A 55 -6.149 11.072 -0.558 1.00 0.00 C ATOM 849 CG LEU A 55 -6.665 12.367 0.092 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.017 12.141 1.554 1.00 0.00 C ATOM 851 CD2 LEU A 55 -5.658 13.501 -0.055 1.00 0.00 C ATOM 0 H LEU A 55 -3.662 11.731 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.464 10.093 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.746 11.319 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.998 10.408 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.574 12.660 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.379 13.072 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.794 11.380 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.131 11.808 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.053 14.402 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.722 13.221 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.478 13.693 -1.113 1.00 0.00 H new ATOM 863 N GLY A 56 -5.721 8.065 -0.471 1.00 0.00 N ATOM 864 CA GLY A 56 -5.512 6.767 -1.081 1.00 0.00 C ATOM 865 C GLY A 56 -6.377 6.533 -2.301 1.00 0.00 C ATOM 866 O GLY A 56 -7.550 6.169 -2.183 1.00 0.00 O ATOM 0 H GLY A 56 -6.639 8.196 -0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.464 6.670 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.717 5.990 -0.345 1.00 0.00 H new ATOM 870 N TYR A 57 -5.788 6.722 -3.470 1.00 0.00 N ATOM 871 CA TYR A 57 -6.479 6.502 -4.735 1.00 0.00 C ATOM 872 C TYR A 57 -6.523 5.012 -5.027 1.00 0.00 C ATOM 873 O TYR A 57 -5.524 4.316 -4.843 1.00 0.00 O ATOM 874 CB TYR A 57 -5.740 7.228 -5.865 1.00 0.00 C ATOM 875 CG TYR A 57 -6.522 7.376 -7.151 1.00 0.00 C ATOM 876 CD1 TYR A 57 -6.482 6.396 -8.133 1.00 0.00 C ATOM 877 CD2 TYR A 57 -7.279 8.514 -7.390 1.00 0.00 C ATOM 878 CE1 TYR A 57 -7.178 6.545 -9.317 1.00 0.00 C ATOM 879 CE2 TYR A 57 -7.980 8.671 -8.569 1.00 0.00 C ATOM 880 CZ TYR A 57 -7.925 7.684 -9.530 1.00 0.00 C ATOM 881 OH TYR A 57 -8.618 7.843 -10.710 1.00 0.00 O ATOM 0 H TYR A 57 -4.821 7.031 -3.572 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.494 6.892 -4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.456 8.220 -5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.817 6.690 -6.079 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.897 5.503 -7.969 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.321 9.291 -6.641 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.137 5.773 -10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.568 9.561 -8.737 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.093 8.700 -10.697 1.00 0.00 H new ATOM 891 N SER A 58 -7.670 4.518 -5.461 1.00 0.00 N ATOM 892 CA SER A 58 -7.796 3.119 -5.802 1.00 0.00 C ATOM 893 C SER A 58 -7.033 2.814 -7.089 1.00 0.00 C ATOM 894 O SER A 58 -7.433 3.213 -8.183 1.00 0.00 O ATOM 895 CB SER A 58 -9.275 2.765 -5.931 1.00 0.00 C ATOM 896 OG SER A 58 -10.003 3.838 -6.500 1.00 0.00 O ATOM 0 H SER A 58 -8.522 5.066 -5.584 1.00 0.00 H new ATOM 0 HA SER A 58 -7.360 2.507 -5.013 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.387 1.875 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.682 2.524 -4.949 1.00 0.00 H new ATOM 0 HG SER A 58 -10.948 3.589 -6.575 1.00 0.00 H new ATOM 902 N VAL A 59 -5.925 2.105 -6.939 1.00 0.00 N ATOM 903 CA VAL A 59 -5.049 1.804 -8.057 1.00 0.00 C ATOM 904 C VAL A 59 -5.306 0.404 -8.592 1.00 0.00 C ATOM 905 O VAL A 59 -5.256 0.168 -9.799 1.00 0.00 O ATOM 906 CB VAL A 59 -3.564 1.947 -7.661 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.267 3.379 -7.265 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.203 1.008 -6.522 1.00 0.00 C ATOM 0 H VAL A 59 -5.611 1.725 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.270 2.527 -8.843 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.958 1.678 -8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.217 3.469 -6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.478 4.040 -8.105 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.892 3.659 -6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.151 1.133 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.817 1.239 -5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.382 -0.022 -6.829 1.00 0.00 H new ATOM 918 N TYR A 60 -5.593 -0.518 -7.692 1.00 0.00 N ATOM 919 CA TYR A 60 -5.905 -1.876 -8.077 1.00 0.00 C ATOM 920 C TYR A 60 -7.264 -2.259 -7.520 1.00 0.00 C ATOM 921 O TYR A 60 -7.399 -2.550 -6.335 1.00 0.00 O ATOM 922 CB TYR A 60 -4.827 -2.853 -7.586 1.00 0.00 C ATOM 923 CG TYR A 60 -5.096 -4.287 -7.987 1.00 0.00 C ATOM 924 CD1 TYR A 60 -4.739 -4.753 -9.247 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.732 -5.166 -7.118 1.00 0.00 C ATOM 926 CE1 TYR A 60 -5.006 -6.054 -9.627 1.00 0.00 C ATOM 927 CE2 TYR A 60 -6.008 -6.462 -7.495 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.643 -6.904 -8.748 1.00 0.00 C ATOM 929 OH TYR A 60 -5.932 -8.193 -9.128 1.00 0.00 O ATOM 0 H TYR A 60 -5.616 -0.347 -6.687 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.931 -1.934 -9.165 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.860 -2.547 -7.984 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.759 -2.793 -6.500 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.245 -4.088 -9.940 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.014 -4.828 -6.132 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.717 -6.403 -10.607 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.509 -7.130 -6.810 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.821 -8.440 -8.798 1.00 0.00 H new ATOM 939 N GLU A 61 -8.272 -2.216 -8.369 1.00 0.00 N ATOM 940 CA GLU A 61 -9.616 -2.562 -7.955 1.00 0.00 C ATOM 941 C GLU A 61 -9.964 -3.965 -8.429 1.00 0.00 C ATOM 942 O GLU A 61 -10.096 -4.218 -9.627 1.00 0.00 O ATOM 943 CB GLU A 61 -10.612 -1.531 -8.490 1.00 0.00 C ATOM 944 CG GLU A 61 -12.040 -1.750 -8.018 1.00 0.00 C ATOM 945 CD GLU A 61 -12.938 -0.573 -8.335 1.00 0.00 C ATOM 946 OE1 GLU A 61 -12.958 0.391 -7.544 1.00 0.00 O ATOM 947 OE2 GLU A 61 -13.628 -0.599 -9.376 1.00 0.00 O ATOM 0 H GLU A 61 -8.185 -1.945 -9.349 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.672 -2.551 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.288 -0.536 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.593 -1.553 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.442 -2.647 -8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.042 -1.926 -6.942 1.00 0.00 H new ATOM 954 N ASP A 62 -10.085 -4.871 -7.474 1.00 0.00 N ATOM 955 CA ASP A 62 -10.365 -6.268 -7.753 1.00 0.00 C ATOM 956 C ASP A 62 -11.721 -6.613 -7.157 1.00 0.00 C ATOM 957 O ASP A 62 -12.244 -5.862 -6.332 1.00 0.00 O ATOM 958 CB ASP A 62 -9.261 -7.143 -7.134 1.00 0.00 C ATOM 959 CG ASP A 62 -9.289 -8.592 -7.590 1.00 0.00 C ATOM 960 OD1 ASP A 62 -10.070 -9.385 -7.020 1.00 0.00 O ATOM 961 OD2 ASP A 62 -8.515 -8.951 -8.502 1.00 0.00 O ATOM 0 H ASP A 62 -9.992 -4.657 -6.481 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.385 -6.450 -8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.290 -6.714 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.354 -7.113 -6.048 1.00 0.00 H new ATOM 966 N ALA A 63 -12.293 -7.733 -7.568 1.00 0.00 N ATOM 967 CA ALA A 63 -13.570 -8.169 -7.024 1.00 0.00 C ATOM 968 C ALA A 63 -13.410 -8.627 -5.576 1.00 0.00 C ATOM 969 O ALA A 63 -14.389 -8.777 -4.844 1.00 0.00 O ATOM 970 CB ALA A 63 -14.165 -9.280 -7.877 1.00 0.00 C ATOM 0 H ALA A 63 -11.896 -8.354 -8.273 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.256 -7.322 -7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.120 -9.592 -7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.320 -8.916 -8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.482 -10.129 -7.897 1.00 0.00 H new ATOM 976 N GLN A 64 -12.166 -8.850 -5.171 1.00 0.00 N ATOM 977 CA GLN A 64 -11.860 -9.244 -3.806 1.00 0.00 C ATOM 978 C GLN A 64 -11.520 -8.025 -2.948 1.00 0.00 C ATOM 979 O GLN A 64 -12.193 -7.743 -1.953 1.00 0.00 O ATOM 980 CB GLN A 64 -10.682 -10.216 -3.790 1.00 0.00 C ATOM 981 CG GLN A 64 -10.862 -11.413 -4.703 1.00 0.00 C ATOM 982 CD GLN A 64 -9.582 -12.202 -4.878 1.00 0.00 C ATOM 983 OE1 GLN A 64 -9.312 -13.154 -4.141 1.00 0.00 O ATOM 984 NE2 GLN A 64 -8.773 -11.789 -5.838 1.00 0.00 N ATOM 0 H GLN A 64 -11.349 -8.763 -5.775 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.743 -9.731 -3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.778 -9.681 -4.082 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.528 -10.569 -2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.635 -12.065 -4.295 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.213 -11.074 -5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.039 -10.997 -6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.883 -12.262 -5.994 1.00 0.00 H new ATOM 993 N TYR A 65 -10.477 -7.300 -3.346 1.00 0.00 N ATOM 994 CA TYR A 65 -9.961 -6.189 -2.550 1.00 0.00 C ATOM 995 C TYR A 65 -9.627 -4.999 -3.443 1.00 0.00 C ATOM 996 O TYR A 65 -9.641 -5.110 -4.668 1.00 0.00 O ATOM 997 CB TYR A 65 -8.704 -6.621 -1.782 1.00 0.00 C ATOM 998 CG TYR A 65 -8.880 -7.882 -0.965 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.371 -7.832 0.331 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.564 -9.124 -1.498 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.545 -8.985 1.071 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.738 -10.281 -0.768 1.00 0.00 C ATOM 1003 CZ TYR A 65 -9.228 -10.206 0.517 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.407 -11.357 1.248 1.00 0.00 O ATOM 0 H TYR A 65 -9.972 -7.463 -4.217 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.733 -5.894 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.892 -6.772 -2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.401 -5.811 -1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.621 -6.877 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.174 -9.185 -2.503 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.928 -8.930 2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.492 -11.239 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.137 -12.131 0.711 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.326 -3.864 -2.827 1.00 0.00 N ATOM 1015 CA ILE A 66 -8.965 -2.664 -3.567 1.00 0.00 C ATOM 1016 C ILE A 66 -7.695 -2.046 -2.996 1.00 0.00 C ATOM 1017 O ILE A 66 -7.611 -1.771 -1.798 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.094 -1.609 -3.544 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.348 -2.154 -4.229 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.639 -0.323 -4.222 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.520 -1.197 -4.209 1.00 0.00 C ATOM 0 H ILE A 66 -9.325 -3.750 -1.813 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.798 -2.968 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.334 -1.386 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.108 -2.398 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.642 -3.084 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.447 0.408 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.771 0.077 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.373 -0.532 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.371 -1.654 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.788 -0.971 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.246 -0.275 -4.723 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.717 -1.830 -3.857 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.472 -1.222 -3.439 1.00 0.00 C ATOM 1035 C GLY A 67 -5.506 0.284 -3.586 1.00 0.00 C ATOM 1036 O GLY A 67 -6.062 0.801 -4.552 1.00 0.00 O ATOM 0 H GLY A 67 -6.763 -2.067 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.272 -1.481 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.652 -1.627 -4.032 1.00 0.00 H new ATOM 1040 N HIS A 68 -4.921 0.987 -2.630 1.00 0.00 N ATOM 1041 CA HIS A 68 -4.917 2.444 -2.634 1.00 0.00 C ATOM 1042 C HIS A 68 -3.486 2.954 -2.546 1.00 0.00 C ATOM 1043 O HIS A 68 -2.756 2.579 -1.631 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.721 3.001 -1.450 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.092 2.414 -1.292 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.233 2.999 -1.798 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.500 1.284 -0.665 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.281 2.254 -1.490 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -8.860 1.209 -0.803 1.00 0.00 N ATOM 0 H HIS A 68 -4.438 0.569 -1.834 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.379 2.781 -3.562 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.158 2.828 -0.533 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.814 4.081 -1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.869 0.574 -0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.306 2.465 -1.755 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.452 0.465 -0.434 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.083 3.797 -3.487 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.730 4.342 -3.474 1.00 0.00 C ATOM 1060 C ALA A 69 -1.632 5.553 -2.563 1.00 0.00 C ATOM 1061 O ALA A 69 -2.323 6.553 -2.764 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.285 4.729 -4.874 1.00 0.00 C ATOM 0 H ALA A 69 -3.665 4.116 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.073 3.560 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.273 5.132 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.301 3.849 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.961 5.484 -5.275 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.731 5.473 -1.599 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.489 6.568 -0.679 1.00 0.00 C ATOM 1070 C PHE A 70 0.912 7.113 -0.862 1.00 0.00 C ATOM 1071 O PHE A 70 1.857 6.357 -1.097 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.668 6.112 0.766 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.092 5.857 1.143 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.668 4.617 0.931 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -2.856 6.860 1.712 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -3.980 4.384 1.281 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.168 6.631 2.063 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.730 5.392 1.848 1.00 0.00 C ATOM 0 H PHE A 70 -0.150 4.651 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.214 7.353 -0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.091 5.201 0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.255 6.871 1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.084 3.824 0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.419 7.833 1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.420 3.413 1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.755 7.422 2.506 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.758 5.210 2.124 1.00 0.00 H new ATOM 1088 N LYS A 71 1.035 8.425 -0.794 1.00 0.00 N ATOM 1089 CA LYS A 71 2.339 9.056 -0.804 1.00 0.00 C ATOM 1090 C LYS A 71 2.915 9.049 0.600 1.00 0.00 C ATOM 1091 O LYS A 71 2.322 9.592 1.531 1.00 0.00 O ATOM 1092 CB LYS A 71 2.261 10.486 -1.342 1.00 0.00 C ATOM 1093 CG LYS A 71 2.404 10.604 -2.855 1.00 0.00 C ATOM 1094 CD LYS A 71 1.142 10.179 -3.597 1.00 0.00 C ATOM 1095 CE LYS A 71 1.128 8.690 -3.897 1.00 0.00 C ATOM 1096 NZ LYS A 71 -0.164 8.255 -4.493 1.00 0.00 N ATOM 0 H LYS A 71 0.249 9.072 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 71 2.993 8.490 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.306 10.920 -1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.042 11.081 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.644 11.635 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.241 9.989 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.267 10.436 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.066 10.737 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.942 8.450 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.309 8.133 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.000 7.445 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.819 7.976 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.577 9.039 -5.037 1.00 0.00 H new ATOM 1110 N LYS A 72 4.056 8.409 0.748 1.00 0.00 N ATOM 1111 CA LYS A 72 4.689 8.256 2.045 1.00 0.00 C ATOM 1112 C LYS A 72 5.990 9.042 2.073 1.00 0.00 C ATOM 1113 O LYS A 72 6.372 9.642 1.069 1.00 0.00 O ATOM 1114 CB LYS A 72 4.950 6.774 2.326 1.00 0.00 C ATOM 1115 CG LYS A 72 3.696 5.910 2.264 1.00 0.00 C ATOM 1116 CD LYS A 72 2.777 6.147 3.458 1.00 0.00 C ATOM 1117 CE LYS A 72 3.408 5.652 4.751 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.524 5.869 5.929 1.00 0.00 N ATOM 0 H LYS A 72 4.570 7.981 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 72 4.028 8.643 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.676 6.399 1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.401 6.674 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.155 6.123 1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.982 4.859 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.556 7.211 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.828 5.636 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.634 4.590 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.356 6.166 4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.995 5.517 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.329 6.885 6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.629 5.357 5.791 1.00 0.00 H new ATOM 1132 N ALA A 73 6.672 9.033 3.210 1.00 0.00 N ATOM 1133 CA ALA A 73 7.921 9.769 3.355 1.00 0.00 C ATOM 1134 C ALA A 73 9.007 9.183 2.459 1.00 0.00 C ATOM 1135 O ALA A 73 9.708 8.242 2.841 1.00 0.00 O ATOM 1136 CB ALA A 73 8.373 9.776 4.804 1.00 0.00 C ATOM 0 H ALA A 73 6.382 8.525 4.045 1.00 0.00 H new ATOM 0 HA ALA A 73 7.743 10.798 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.307 10.331 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.610 10.251 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.526 8.751 5.142 1.00 0.00 H new ATOM 1142 N GLY A 74 9.112 9.722 1.253 1.00 0.00 N ATOM 1143 CA GLY A 74 10.103 9.259 0.299 1.00 0.00 C ATOM 1144 C GLY A 74 9.753 7.907 -0.295 1.00 0.00 C ATOM 1145 O GLY A 74 10.572 7.289 -0.972 1.00 0.00 O ATOM 0 H GLY A 74 8.521 10.481 0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.199 9.990 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.074 9.196 0.791 1.00 0.00 H new ATOM 1149 N HIS A 75 8.532 7.446 -0.050 1.00 0.00 N ATOM 1150 CA HIS A 75 8.102 6.130 -0.508 1.00 0.00 C ATOM 1151 C HIS A 75 6.680 6.178 -1.050 1.00 0.00 C ATOM 1152 O HIS A 75 5.977 7.177 -0.900 1.00 0.00 O ATOM 1153 CB HIS A 75 8.177 5.099 0.630 1.00 0.00 C ATOM 1154 CG HIS A 75 9.561 4.599 0.923 1.00 0.00 C ATOM 1155 ND1 HIS A 75 9.944 4.137 2.164 1.00 0.00 N ATOM 1156 CD2 HIS A 75 10.646 4.464 0.124 1.00 0.00 C ATOM 1157 CE1 HIS A 75 11.207 3.744 2.114 1.00 0.00 C ATOM 1158 NE2 HIS A 75 11.652 3.932 0.886 1.00 0.00 N ATOM 0 H HIS A 75 7.821 7.965 0.464 1.00 0.00 H new ATOM 0 HA HIS A 75 8.778 5.828 -1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.766 5.545 1.536 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.543 4.249 0.377 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.707 4.727 -0.922 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.776 3.339 2.938 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.593 3.716 0.557 1.00 0.00 H new ATOM 1167 N PHE A 76 6.268 5.090 -1.679 1.00 0.00 N ATOM 1168 CA PHE A 76 4.916 4.957 -2.191 1.00 0.00 C ATOM 1169 C PHE A 76 4.345 3.618 -1.760 1.00 0.00 C ATOM 1170 O PHE A 76 4.848 2.573 -2.153 1.00 0.00 O ATOM 1171 CB PHE A 76 4.903 5.049 -3.718 1.00 0.00 C ATOM 1172 CG PHE A 76 5.353 6.375 -4.261 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.499 7.465 -4.252 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.625 6.531 -4.787 1.00 0.00 C ATOM 1175 CE1 PHE A 76 4.903 8.685 -4.757 1.00 0.00 C ATOM 1176 CE2 PHE A 76 7.035 7.749 -5.296 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.172 8.827 -5.279 1.00 0.00 C ATOM 0 H PHE A 76 6.860 4.277 -1.848 1.00 0.00 H new ATOM 0 HA PHE A 76 4.309 5.768 -1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.545 4.267 -4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.893 4.848 -4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.504 7.360 -3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.304 5.691 -4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.227 9.527 -4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.028 7.857 -5.706 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.490 9.780 -5.674 1.00 0.00 H new ATOM 1187 N ILE A 77 3.310 3.634 -0.946 1.00 0.00 N ATOM 1188 CA ILE A 77 2.764 2.389 -0.433 1.00 0.00 C ATOM 1189 C ILE A 77 1.309 2.222 -0.841 1.00 0.00 C ATOM 1190 O ILE A 77 0.510 3.153 -0.744 1.00 0.00 O ATOM 1191 CB ILE A 77 2.898 2.290 1.103 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.365 2.445 1.514 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.348 0.958 1.603 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.597 2.363 3.009 1.00 0.00 C ATOM 0 H ILE A 77 2.835 4.479 -0.628 1.00 0.00 H new ATOM 0 HA ILE A 77 3.349 1.582 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 77 2.318 3.094 1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.953 1.670 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.734 3.404 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.451 0.906 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.295 0.875 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.905 0.140 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.660 2.482 3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.038 3.154 3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.261 1.394 3.377 1.00 0.00 H new ATOM 1206 N VAL A 78 0.987 1.033 -1.320 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.363 0.707 -1.737 1.00 0.00 C ATOM 1208 C VAL A 78 -1.034 -0.176 -0.696 1.00 0.00 C ATOM 1209 O VAL A 78 -0.674 -1.340 -0.528 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.367 -0.020 -3.100 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.786 -0.368 -3.525 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.313 0.830 -4.160 1.00 0.00 C ATOM 0 H VAL A 78 1.653 0.269 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.914 1.642 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 78 0.192 -0.949 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.763 -0.879 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.240 -1.020 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.374 0.546 -3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.301 0.302 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.218 1.777 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.345 1.023 -3.865 1.00 0.00 H new ATOM 1222 N TYR A 79 -1.995 0.386 0.015 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.721 -0.349 1.030 1.00 0.00 C ATOM 1224 C TYR A 79 -3.963 -0.993 0.429 1.00 0.00 C ATOM 1225 O TYR A 79 -4.802 -0.314 -0.165 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.103 0.580 2.182 1.00 0.00 C ATOM 1227 CG TYR A 79 -1.919 1.066 2.996 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.149 2.138 2.567 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.575 0.451 4.194 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.071 2.586 3.305 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.498 0.893 4.940 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.252 1.962 4.491 1.00 0.00 C ATOM 1233 OH TYR A 79 1.324 2.415 5.230 1.00 0.00 O ATOM 0 H TYR A 79 -2.291 1.356 -0.095 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.078 -1.138 1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.634 1.443 1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.796 0.059 2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.397 2.631 1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.159 -0.386 4.548 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.516 3.422 2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.245 0.405 5.869 1.00 0.00 H new ATOM 0 HH TYR A 79 1.418 1.869 6.039 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.063 -2.304 0.569 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.172 -3.060 0.024 1.00 0.00 C ATOM 1245 C PHE A 80 -6.243 -3.270 1.084 1.00 0.00 C ATOM 1246 O PHE A 80 -5.986 -3.872 2.125 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.685 -4.414 -0.491 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.834 -4.324 -1.725 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.475 -4.080 -1.630 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.397 -4.489 -2.979 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.693 -3.998 -2.766 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.621 -4.410 -4.118 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.267 -4.165 -4.012 1.00 0.00 C ATOM 0 H PHE A 80 -3.376 -2.872 1.064 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.600 -2.495 -0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.115 -4.908 0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.549 -5.044 -0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.021 -3.952 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.456 -4.682 -3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.634 -3.804 -2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.073 -4.540 -5.090 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.657 -4.104 -4.901 1.00 0.00 H new ATOM 1263 N THR A 81 -7.433 -2.766 0.815 1.00 0.00 N ATOM 1264 CA THR A 81 -8.549 -2.913 1.731 1.00 0.00 C ATOM 1265 C THR A 81 -9.607 -3.828 1.118 1.00 0.00 C ATOM 1266 O THR A 81 -9.604 -4.048 -0.093 1.00 0.00 O ATOM 1267 CB THR A 81 -9.174 -1.543 2.054 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.632 -0.913 0.850 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.175 -0.635 2.751 1.00 0.00 C ATOM 0 H THR A 81 -7.652 -2.248 -0.036 1.00 0.00 H new ATOM 0 HA THR A 81 -8.178 -3.354 2.656 1.00 0.00 H new ATOM 0 HB THR A 81 -10.018 -1.710 2.724 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.581 -0.687 0.940 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.644 0.325 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.851 -1.098 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.312 -0.480 2.104 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.522 -4.377 1.936 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.583 -5.281 1.458 1.00 0.00 C ATOM 1279 C PRO A 82 -12.687 -4.564 0.672 1.00 0.00 C ATOM 1280 O PRO A 82 -13.873 -4.801 0.902 1.00 0.00 O ATOM 1281 CB PRO A 82 -12.143 -5.871 2.754 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.877 -4.835 3.789 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.582 -4.181 3.397 1.00 0.00 C ATOM 0 HA PRO A 82 -11.194 -6.020 0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.210 -6.078 2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.655 -6.813 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.686 -4.106 3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.804 -5.283 4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.571 -3.123 3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.732 -4.643 3.899 1.00 0.00 H new ATOM 1291 N LYS A 83 -12.276 -3.735 -0.289 1.00 0.00 N ATOM 1292 CA LYS A 83 -13.192 -2.972 -1.145 1.00 0.00 C ATOM 1293 C LYS A 83 -14.025 -1.961 -0.354 1.00 0.00 C ATOM 1294 O LYS A 83 -15.046 -2.310 0.243 1.00 0.00 O ATOM 1295 CB LYS A 83 -14.123 -3.900 -1.933 1.00 0.00 C ATOM 1296 CG LYS A 83 -13.414 -4.772 -2.954 1.00 0.00 C ATOM 1297 CD LYS A 83 -14.395 -5.583 -3.791 1.00 0.00 C ATOM 1298 CE LYS A 83 -15.111 -4.730 -4.833 1.00 0.00 C ATOM 1299 NZ LYS A 83 -16.152 -3.850 -4.235 1.00 0.00 N ATOM 0 H LYS A 83 -11.291 -3.572 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.564 -2.419 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.657 -4.542 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.872 -3.296 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.810 -4.145 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.730 -5.448 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.861 -6.391 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.132 -6.046 -3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.380 -4.116 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.573 -5.381 -5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.987 -3.830 -4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.423 -4.218 -3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.774 -2.887 -4.131 1.00 0.00 H new ATOM 1313 N ASN A 84 -13.592 -0.707 -0.369 1.00 0.00 N ATOM 1314 CA ASN A 84 -14.328 0.369 0.286 1.00 0.00 C ATOM 1315 C ASN A 84 -13.984 1.716 -0.344 1.00 0.00 C ATOM 1316 O ASN A 84 -12.864 1.922 -0.822 1.00 0.00 O ATOM 1317 CB ASN A 84 -14.028 0.409 1.795 1.00 0.00 C ATOM 1318 CG ASN A 84 -12.594 0.810 2.114 1.00 0.00 C ATOM 1319 OD1 ASN A 84 -11.670 0.540 1.350 1.00 0.00 O ATOM 1320 ND2 ASN A 84 -12.397 1.456 3.252 1.00 0.00 N ATOM 0 H ASN A 84 -12.732 -0.408 -0.829 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.391 0.172 0.149 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.710 1.111 2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.227 -0.573 2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.456 1.746 3.518 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.186 1.664 3.863 1.00 0.00 H new ATOM 1327 N LYS A 85 -14.963 2.611 -0.378 1.00 0.00 N ATOM 1328 CA LYS A 85 -14.746 3.985 -0.822 1.00 0.00 C ATOM 1329 C LYS A 85 -15.478 4.961 0.096 1.00 0.00 C ATOM 1330 O LYS A 85 -15.076 6.116 0.221 1.00 0.00 O ATOM 1331 CB LYS A 85 -15.208 4.193 -2.272 1.00 0.00 C ATOM 1332 CG LYS A 85 -14.389 3.433 -3.305 1.00 0.00 C ATOM 1333 CD LYS A 85 -14.531 4.052 -4.687 1.00 0.00 C ATOM 1334 CE LYS A 85 -13.753 3.274 -5.737 1.00 0.00 C ATOM 1335 NZ LYS A 85 -14.420 1.993 -6.091 1.00 0.00 N ATOM 0 H LYS A 85 -15.924 2.409 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.674 4.177 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.251 3.888 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -15.168 5.257 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.339 3.432 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -14.713 2.393 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -15.585 4.084 -4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.177 5.083 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.643 3.885 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.749 3.069 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.976 1.594 -6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.322 1.321 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.429 2.166 -6.275 1.00 0.00 H new ATOM 1349 N ASN A 86 -16.550 4.473 0.729 1.00 0.00 N ATOM 1350 CA ASN A 86 -17.354 5.259 1.674 1.00 0.00 C ATOM 1351 C ASN A 86 -18.089 6.404 0.987 1.00 0.00 C ATOM 1352 O ASN A 86 -17.507 7.444 0.685 1.00 0.00 O ATOM 1353 CB ASN A 86 -16.504 5.800 2.834 1.00 0.00 C ATOM 1354 CG ASN A 86 -16.187 4.743 3.879 1.00 0.00 C ATOM 1355 OD1 ASN A 86 -16.068 3.556 3.572 1.00 0.00 O ATOM 1356 ND2 ASN A 86 -16.053 5.168 5.128 1.00 0.00 N ATOM 0 H ASN A 86 -16.886 3.519 0.601 1.00 0.00 H new ATOM 0 HA ASN A 86 -18.098 4.575 2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.572 6.203 2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.032 6.627 3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.844 4.504 5.873 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.159 6.159 5.343 1.00 0.00 H new ATOM 1363 N ARG A 87 -19.376 6.202 0.747 1.00 0.00 N ATOM 1364 CA ARG A 87 -20.213 7.230 0.146 1.00 0.00 C ATOM 1365 C ARG A 87 -21.531 7.330 0.898 1.00 0.00 C ATOM 1366 O ARG A 87 -22.009 6.335 1.444 1.00 0.00 O ATOM 1367 CB ARG A 87 -20.487 6.931 -1.330 1.00 0.00 C ATOM 1368 CG ARG A 87 -19.237 6.816 -2.182 1.00 0.00 C ATOM 1369 CD ARG A 87 -19.586 6.629 -3.648 1.00 0.00 C ATOM 1370 NE ARG A 87 -20.475 5.489 -3.856 1.00 0.00 N ATOM 1371 CZ ARG A 87 -21.292 5.361 -4.898 1.00 0.00 C ATOM 1372 NH1 ARG A 87 -21.356 6.307 -5.825 1.00 0.00 N ATOM 1373 NH2 ARG A 87 -22.061 4.287 -5.012 1.00 0.00 N ATOM 0 H ARG A 87 -19.865 5.333 0.960 1.00 0.00 H new ATOM 0 HA ARG A 87 -19.679 8.178 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -21.050 6.000 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -21.120 7.719 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -18.628 7.712 -2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -18.636 5.974 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -20.062 7.534 -4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -18.671 6.486 -4.223 1.00 0.00 H new ATOM 0 HE ARG A 87 -20.469 4.745 -3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -20.776 7.142 -5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -21.986 6.200 -6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -22.027 3.557 -4.300 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -22.687 4.190 -5.812 1.00 0.00 H new ATOM 1387 N GLU A 88 -22.101 8.530 0.916 1.00 0.00 N ATOM 1388 CA GLU A 88 -23.356 8.800 1.617 1.00 0.00 C ATOM 1389 C GLU A 88 -23.233 8.492 3.104 1.00 0.00 C ATOM 1390 O GLU A 88 -23.552 7.395 3.563 1.00 0.00 O ATOM 1391 CB GLU A 88 -24.527 8.023 1.002 1.00 0.00 C ATOM 1392 CG GLU A 88 -25.076 8.640 -0.278 1.00 0.00 C ATOM 1393 CD GLU A 88 -24.093 8.625 -1.432 1.00 0.00 C ATOM 1394 OE1 GLU A 88 -24.051 7.616 -2.163 1.00 0.00 O ATOM 1395 OE2 GLU A 88 -23.378 9.633 -1.624 1.00 0.00 O ATOM 0 H GLU A 88 -21.708 9.345 0.445 1.00 0.00 H new ATOM 0 HA GLU A 88 -23.565 9.864 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -24.203 7.004 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -25.331 7.957 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -25.977 8.102 -0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -25.371 9.670 -0.077 1.00 0.00 H new ATOM 1402 N GLY A 89 -22.754 9.471 3.850 1.00 0.00 N ATOM 1403 CA GLY A 89 -22.542 9.295 5.268 1.00 0.00 C ATOM 1404 C GLY A 89 -21.344 10.082 5.743 1.00 0.00 C ATOM 1405 O GLY A 89 -21.468 11.256 6.094 1.00 0.00 O ATOM 0 H GLY A 89 -22.506 10.394 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -23.430 9.615 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -22.396 8.237 5.488 1.00 0.00 H new ATOM 1409 N VAL A 90 -20.185 9.447 5.735 1.00 0.00 N ATOM 1410 CA VAL A 90 -18.944 10.120 6.083 1.00 0.00 C ATOM 1411 C VAL A 90 -18.077 10.298 4.841 1.00 0.00 C ATOM 1412 O VAL A 90 -17.758 9.331 4.148 1.00 0.00 O ATOM 1413 CB VAL A 90 -18.160 9.357 7.183 1.00 0.00 C ATOM 1414 CG1 VAL A 90 -17.853 7.925 6.761 1.00 0.00 C ATOM 1415 CG2 VAL A 90 -16.880 10.095 7.547 1.00 0.00 C ATOM 0 H VAL A 90 -20.076 8.463 5.491 1.00 0.00 H new ATOM 0 HA VAL A 90 -19.202 11.100 6.486 1.00 0.00 H new ATOM 0 HB VAL A 90 -18.796 9.313 8.067 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -17.303 7.421 7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -18.786 7.394 6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -17.250 7.935 5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -16.348 9.541 8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -16.248 10.184 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -17.127 11.090 7.918 1.00 0.00 H new ATOM 1425 N VAL A 91 -17.734 11.539 4.539 1.00 0.00 N ATOM 1426 CA VAL A 91 -16.915 11.832 3.375 1.00 0.00 C ATOM 1427 C VAL A 91 -15.656 12.595 3.775 1.00 0.00 C ATOM 1428 O VAL A 91 -15.689 13.441 4.675 1.00 0.00 O ATOM 1429 CB VAL A 91 -17.691 12.639 2.306 1.00 0.00 C ATOM 1430 CG1 VAL A 91 -18.828 11.809 1.728 1.00 0.00 C ATOM 1431 CG2 VAL A 91 -18.223 13.944 2.883 1.00 0.00 C ATOM 0 H VAL A 91 -18.009 12.358 5.082 1.00 0.00 H new ATOM 0 HA VAL A 91 -16.635 10.873 2.939 1.00 0.00 H new ATOM 0 HB VAL A 91 -16.997 12.884 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -19.361 12.394 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -18.423 10.909 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -19.516 11.528 2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -18.764 14.490 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -18.896 13.727 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -17.390 14.550 3.240 1.00 0.00 H new ATOM 1441 N PRO A 92 -14.519 12.277 3.141 1.00 0.00 N ATOM 1442 CA PRO A 92 -13.269 12.988 3.352 1.00 0.00 C ATOM 1443 C PRO A 92 -13.166 14.226 2.465 1.00 0.00 C ATOM 1444 O PRO A 92 -13.283 14.135 1.239 1.00 0.00 O ATOM 1445 CB PRO A 92 -12.191 11.960 2.966 1.00 0.00 C ATOM 1446 CG PRO A 92 -12.920 10.762 2.428 1.00 0.00 C ATOM 1447 CD PRO A 92 -14.344 11.183 2.183 1.00 0.00 C ATOM 0 HA PRO A 92 -13.173 13.351 4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.513 12.371 2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.585 11.690 3.831 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.458 10.412 1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.879 9.936 3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.499 11.514 1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -15.045 10.368 2.364 1.00 0.00 H new ATOM 1455 N PRO A 93 -12.960 15.405 3.070 1.00 0.00 N ATOM 1456 CA PRO A 93 -12.820 16.658 2.327 1.00 0.00 C ATOM 1457 C PRO A 93 -11.466 16.761 1.621 1.00 0.00 C ATOM 1458 O PRO A 93 -10.582 17.513 2.040 1.00 0.00 O ATOM 1459 CB PRO A 93 -12.955 17.728 3.411 1.00 0.00 C ATOM 1460 CG PRO A 93 -12.499 17.063 4.663 1.00 0.00 C ATOM 1461 CD PRO A 93 -12.859 15.607 4.526 1.00 0.00 C ATOM 0 HA PRO A 93 -13.559 16.752 1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.344 18.602 3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -13.985 18.073 3.499 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.425 17.186 4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.983 17.503 5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.098 14.964 4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.799 15.379 5.028 1.00 0.00 H new ATOM 1469 N VAL A 94 -11.310 15.981 0.558 1.00 0.00 N ATOM 1470 CA VAL A 94 -10.073 15.953 -0.211 1.00 0.00 C ATOM 1471 C VAL A 94 -9.810 17.299 -0.888 1.00 0.00 C ATOM 1472 O VAL A 94 -10.653 17.823 -1.624 1.00 0.00 O ATOM 1473 CB VAL A 94 -10.087 14.816 -1.261 1.00 0.00 C ATOM 1474 CG1 VAL A 94 -11.317 14.908 -2.154 1.00 0.00 C ATOM 1475 CG2 VAL A 94 -8.814 14.834 -2.093 1.00 0.00 C ATOM 0 H VAL A 94 -12.033 15.354 0.207 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.262 15.758 0.490 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.132 13.867 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.300 14.097 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.217 14.829 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.316 15.864 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.846 14.026 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.731 15.789 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.951 14.699 -1.441 1.00 0.00 H new ATOM 1485 N GLY A 95 -8.637 17.851 -0.624 1.00 0.00 N ATOM 1486 CA GLY A 95 -8.280 19.147 -1.162 1.00 0.00 C ATOM 1487 C GLY A 95 -7.751 20.071 -0.087 1.00 0.00 C ATOM 1488 O GLY A 95 -7.961 21.281 -0.134 1.00 0.00 O ATOM 0 H GLY A 95 -7.919 17.420 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.526 19.023 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.153 19.599 -1.633 1.00 0.00 H new ATOM 1492 N ILE A 96 -7.060 19.495 0.886 1.00 0.00 N ATOM 1493 CA ILE A 96 -6.511 20.263 1.993 1.00 0.00 C ATOM 1494 C ILE A 96 -5.040 20.565 1.742 1.00 0.00 C ATOM 1495 O ILE A 96 -4.283 19.687 1.317 1.00 0.00 O ATOM 1496 CB ILE A 96 -6.656 19.504 3.333 1.00 0.00 C ATOM 1497 CG1 ILE A 96 -8.115 19.092 3.557 1.00 0.00 C ATOM 1498 CG2 ILE A 96 -6.165 20.366 4.491 1.00 0.00 C ATOM 1499 CD1 ILE A 96 -8.335 18.276 4.814 1.00 0.00 C ATOM 0 H ILE A 96 -6.866 18.495 0.931 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.073 21.194 2.061 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.043 18.604 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -8.733 19.989 3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.456 18.516 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.274 19.816 5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.115 20.617 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -6.754 21.282 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.391 18.023 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.746 17.361 4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.027 18.857 5.683 1.00 0.00 H new ATOM 1511 N THR A 97 -4.644 21.804 1.994 1.00 0.00 N ATOM 1512 CA THR A 97 -3.260 22.217 1.822 1.00 0.00 C ATOM 1513 C THR A 97 -2.342 21.424 2.752 1.00 0.00 C ATOM 1514 O THR A 97 -2.684 21.185 3.911 1.00 0.00 O ATOM 1515 CB THR A 97 -3.108 23.727 2.089 1.00 0.00 C ATOM 1516 OG1 THR A 97 -4.048 24.454 1.283 1.00 0.00 O ATOM 1517 CG2 THR A 97 -1.696 24.199 1.771 1.00 0.00 C ATOM 0 H THR A 97 -5.266 22.544 2.320 1.00 0.00 H new ATOM 0 HA THR A 97 -2.971 22.014 0.791 1.00 0.00 H new ATOM 0 HB THR A 97 -3.303 23.910 3.146 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.952 25.414 1.454 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.617 25.268 1.968 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.983 23.661 2.396 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.476 24.007 0.721 1.00 0.00 H new ATOM 1525 N ASN A 98 -1.203 20.997 2.219 1.00 0.00 N ATOM 1526 CA ASN A 98 -0.230 20.207 2.969 1.00 0.00 C ATOM 1527 C ASN A 98 0.162 20.904 4.270 1.00 0.00 C ATOM 1528 O ASN A 98 -0.090 20.333 5.348 1.00 0.00 O ATOM 1529 CB ASN A 98 1.013 19.949 2.115 1.00 0.00 C ATOM 1530 CG ASN A 98 2.014 19.035 2.800 1.00 0.00 C ATOM 1531 OD1 ASN A 98 1.935 17.812 2.682 1.00 0.00 O ATOM 1532 ND2 ASN A 98 2.971 19.618 3.503 1.00 0.00 N ATOM 1533 OXT ASN A 98 0.697 22.031 4.210 1.00 0.00 O ATOM 0 H ASN A 98 -0.927 21.188 1.256 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.694 19.253 3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.711 19.505 1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.494 20.899 1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.678 19.051 3.971 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.002 20.635 3.577 1.00 0.00 H new TER 1540 ASN A 98