USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 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 76 THR OG1 : rot -90:sc= -0.209 USER MOD Set 1.2: A 79 ASN :FLIP amide:sc= -1.47 F(o=-2.8,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 34:sc= 0.0873 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.422 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.937 F(o=-2.2!,f=-0.94) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0611) USER MOD Single : A 31 GLN : amide:sc= -0.327 K(o=-0.33,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 135:sc= 0.0354 USER MOD Single : A 41 MET CE :methyl 160:sc= -0.823 (180deg=-2.48!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.0026) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -90:sc= -1.44 USER MOD Single : A 56 MET CE :methyl 152:sc= -0.753 (180deg=-2.11) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -154:sc= -0.147 (180deg=-0.713) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.34) USER MOD Single : A 68 GLN : amide:sc= -14.1! C(o=-14!,f=-17!) USER MOD Single : A 70 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.1) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.548 F(o=-2.4,f=-0.55) USER MOD Single : A 82 ASN : amide:sc= -0.322 K(o=-0.32,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -45:sc= -3.36! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 56:sc= 1.01 USER MOD Single : A 97 THR OG1 : rot -86:sc= -0.296 USER MOD Single : A 98 ASN : amide:sc= -0.405 K(o=-0.4,f=-3!) USER MOD Single : A 100 ASN : amide:sc= -0.132 K(o=-0.13,f=-2!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0013 X(o=-0.0013,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 5:sc= 0.776 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.295 -15.694 -2.539 1.00 0.00 N ATOM 2 CA GLY A 1 16.090 -15.210 -1.185 1.00 0.00 C ATOM 3 C GLY A 1 16.752 -13.845 -0.984 1.00 0.00 C ATOM 4 O GLY A 1 16.543 -12.927 -1.776 1.00 0.00 O ATOM 0 H1 GLY A 1 15.837 -16.621 -2.649 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.881 -15.020 -3.215 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.314 -15.788 -2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.022 -15.134 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.501 -15.926 -0.473 1.00 0.00 H new ATOM 8 N SER A 2 17.538 -13.755 0.079 1.00 0.00 N ATOM 9 CA SER A 2 18.233 -12.518 0.393 1.00 0.00 C ATOM 10 C SER A 2 17.229 -11.370 0.511 1.00 0.00 C ATOM 11 O SER A 2 16.074 -11.507 0.110 1.00 0.00 O ATOM 12 CB SER A 2 19.288 -12.194 -0.666 1.00 0.00 C ATOM 13 OG SER A 2 20.613 -12.321 -0.157 1.00 0.00 O ATOM 0 H SER A 2 17.709 -14.518 0.734 1.00 0.00 H new ATOM 0 HA SER A 2 18.744 -12.646 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.162 -12.861 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.136 -11.178 -1.030 1.00 0.00 H new ATOM 0 HG SER A 2 21.257 -12.107 -0.864 1.00 0.00 H new ATOM 19 N SER A 3 17.706 -10.264 1.063 1.00 0.00 N ATOM 20 CA SER A 3 16.864 -9.092 1.238 1.00 0.00 C ATOM 21 C SER A 3 16.778 -8.308 -0.073 1.00 0.00 C ATOM 22 O SER A 3 17.799 -7.893 -0.620 1.00 0.00 O ATOM 23 CB SER A 3 17.395 -8.196 2.359 1.00 0.00 C ATOM 24 OG SER A 3 18.780 -7.901 2.196 1.00 0.00 O ATOM 0 H SER A 3 18.664 -10.154 1.395 1.00 0.00 H new ATOM 0 HA SER A 3 15.865 -9.427 1.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.826 -7.266 2.380 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.239 -8.687 3.320 1.00 0.00 H new ATOM 0 HG SER A 3 18.991 -7.838 1.241 1.00 0.00 H new ATOM 30 N GLY A 4 15.551 -8.130 -0.539 1.00 0.00 N ATOM 31 CA GLY A 4 15.319 -7.404 -1.776 1.00 0.00 C ATOM 32 C GLY A 4 15.467 -5.896 -1.562 1.00 0.00 C ATOM 33 O GLY A 4 16.433 -5.444 -0.950 1.00 0.00 O ATOM 0 H GLY A 4 14.707 -8.476 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.025 -7.738 -2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.319 -7.626 -2.150 1.00 0.00 H new ATOM 37 N SER A 5 14.494 -5.159 -2.078 1.00 0.00 N ATOM 38 CA SER A 5 14.504 -3.712 -1.951 1.00 0.00 C ATOM 39 C SER A 5 15.659 -3.123 -2.764 1.00 0.00 C ATOM 40 O SER A 5 16.774 -3.641 -2.729 1.00 0.00 O ATOM 41 CB SER A 5 14.616 -3.288 -0.486 1.00 0.00 C ATOM 42 OG SER A 5 13.356 -2.904 0.057 1.00 0.00 O ATOM 0 H SER A 5 13.694 -5.537 -2.585 1.00 0.00 H new ATOM 0 HA SER A 5 13.561 -3.328 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.027 -4.111 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.316 -2.456 -0.402 1.00 0.00 H new ATOM 0 HG SER A 5 13.470 -2.642 0.994 1.00 0.00 H new ATOM 48 N SER A 6 15.352 -2.049 -3.477 1.00 0.00 N ATOM 49 CA SER A 6 16.350 -1.385 -4.297 1.00 0.00 C ATOM 50 C SER A 6 15.881 0.028 -4.650 1.00 0.00 C ATOM 51 O SER A 6 14.837 0.201 -5.277 1.00 0.00 O ATOM 52 CB SER A 6 16.636 -2.183 -5.571 1.00 0.00 C ATOM 53 OG SER A 6 17.746 -1.656 -6.293 1.00 0.00 O ATOM 0 H SER A 6 14.426 -1.622 -3.503 1.00 0.00 H new ATOM 0 HA SER A 6 17.276 -1.322 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.833 -3.223 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.752 -2.176 -6.209 1.00 0.00 H new ATOM 0 HG SER A 6 17.897 -2.194 -7.098 1.00 0.00 H new ATOM 59 N GLY A 7 16.676 1.002 -4.233 1.00 0.00 N ATOM 60 CA GLY A 7 16.356 2.395 -4.497 1.00 0.00 C ATOM 61 C GLY A 7 15.093 2.819 -3.745 1.00 0.00 C ATOM 62 O GLY A 7 14.258 1.982 -3.404 1.00 0.00 O ATOM 0 H GLY A 7 17.542 0.854 -3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.192 3.027 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.213 2.543 -5.567 1.00 0.00 H new ATOM 66 N PRO A 8 14.990 4.153 -3.502 1.00 0.00 N ATOM 67 CA PRO A 8 13.843 4.699 -2.796 1.00 0.00 C ATOM 68 C PRO A 8 12.609 4.733 -3.700 1.00 0.00 C ATOM 69 O PRO A 8 12.712 4.515 -4.906 1.00 0.00 O ATOM 70 CB PRO A 8 14.283 6.080 -2.339 1.00 0.00 C ATOM 71 CG PRO A 8 15.483 6.441 -3.199 1.00 0.00 C ATOM 72 CD PRO A 8 15.959 5.173 -3.891 1.00 0.00 C ATOM 0 HA PRO A 8 13.544 4.089 -1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.480 6.807 -2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.547 6.076 -1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.212 7.198 -3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 8 16.279 6.863 -2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.988 5.299 -4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.967 4.903 -3.574 1.00 0.00 H new ATOM 80 N ASP A 9 11.469 5.007 -3.081 1.00 0.00 N ATOM 81 CA ASP A 9 10.217 5.073 -3.815 1.00 0.00 C ATOM 82 C ASP A 9 9.078 5.389 -2.843 1.00 0.00 C ATOM 83 O ASP A 9 8.370 4.487 -2.397 1.00 0.00 O ATOM 84 CB ASP A 9 9.904 3.737 -4.491 1.00 0.00 C ATOM 85 CG ASP A 9 10.131 2.501 -3.618 1.00 0.00 C ATOM 86 OD1 ASP A 9 11.314 2.221 -3.329 1.00 0.00 O ATOM 87 OD2 ASP A 9 9.117 1.865 -3.260 1.00 0.00 O ATOM 0 H ASP A 9 11.387 5.186 -2.080 1.00 0.00 H new ATOM 0 HA ASP A 9 10.312 5.848 -4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.864 3.747 -4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.518 3.648 -5.387 1.00 0.00 H new ATOM 92 N VAL A 10 8.937 6.672 -2.543 1.00 0.00 N ATOM 93 CA VAL A 10 7.896 7.117 -1.633 1.00 0.00 C ATOM 94 C VAL A 10 7.836 8.646 -1.644 1.00 0.00 C ATOM 95 O VAL A 10 8.021 9.286 -0.609 1.00 0.00 O ATOM 96 CB VAL A 10 8.139 6.539 -0.237 1.00 0.00 C ATOM 97 CG1 VAL A 10 9.489 6.997 0.319 1.00 0.00 C ATOM 98 CG2 VAL A 10 6.999 6.908 0.715 1.00 0.00 C ATOM 0 H VAL A 10 9.526 7.417 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 10 6.922 6.750 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 10 8.164 5.453 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.637 6.572 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.288 6.661 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.506 8.085 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.196 6.485 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.927 7.993 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.060 6.509 0.330 1.00 0.00 H new ATOM 108 N ARG A 11 7.575 9.188 -2.824 1.00 0.00 N ATOM 109 CA ARG A 11 7.487 10.629 -2.983 1.00 0.00 C ATOM 110 C ARG A 11 6.319 10.992 -3.902 1.00 0.00 C ATOM 111 O ARG A 11 6.107 10.347 -4.927 1.00 0.00 O ATOM 112 CB ARG A 11 8.782 11.199 -3.568 1.00 0.00 C ATOM 113 CG ARG A 11 8.739 12.728 -3.609 1.00 0.00 C ATOM 114 CD ARG A 11 9.942 13.329 -2.878 1.00 0.00 C ATOM 115 NE ARG A 11 11.173 13.119 -3.672 1.00 0.00 N ATOM 116 CZ ARG A 11 12.347 13.707 -3.408 1.00 0.00 C ATOM 117 NH1 ARG A 11 12.457 14.546 -2.368 1.00 0.00 N ATOM 118 NH2 ARG A 11 13.412 13.458 -4.182 1.00 0.00 N ATOM 0 H ARG A 11 7.422 8.655 -3.680 1.00 0.00 H new ATOM 0 HA ARG A 11 7.325 11.062 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.631 10.872 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.933 10.809 -4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.731 13.068 -4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.816 13.082 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.783 14.395 -2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.049 12.867 -1.896 1.00 0.00 H new ATOM 0 HE ARG A 11 11.124 12.487 -4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.647 14.736 -1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.351 14.994 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.329 12.820 -4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.305 13.907 -3.980 1.00 0.00 H new ATOM 132 N ARG A 12 5.590 12.023 -3.500 1.00 0.00 N ATOM 133 CA ARG A 12 4.448 12.480 -4.274 1.00 0.00 C ATOM 134 C ARG A 12 4.917 13.171 -5.556 1.00 0.00 C ATOM 135 O ARG A 12 6.070 13.023 -5.959 1.00 0.00 O ATOM 136 CB ARG A 12 3.587 13.452 -3.465 1.00 0.00 C ATOM 137 CG ARG A 12 4.289 14.801 -3.302 1.00 0.00 C ATOM 138 CD ARG A 12 4.414 15.180 -1.825 1.00 0.00 C ATOM 139 NE ARG A 12 5.407 16.265 -1.662 1.00 0.00 N ATOM 140 CZ ARG A 12 5.638 16.905 -0.508 1.00 0.00 C ATOM 141 NH1 ARG A 12 4.949 16.573 0.592 1.00 0.00 N ATOM 142 NH2 ARG A 12 6.558 17.877 -0.454 1.00 0.00 N ATOM 0 H ARG A 12 5.768 12.555 -2.648 1.00 0.00 H new ATOM 0 HA ARG A 12 3.849 11.606 -4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.628 13.595 -3.963 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.376 13.027 -2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.280 14.756 -3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.730 15.572 -3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.446 15.501 -1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.715 14.310 -1.242 1.00 0.00 H new ATOM 0 HE ARG A 12 5.950 16.543 -2.480 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.248 15.833 0.551 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.125 17.060 1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.083 18.130 -1.291 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.734 18.364 0.425 1.00 0.00 H new ATOM 156 N ASP A 13 4.000 13.911 -6.161 1.00 0.00 N ATOM 157 CA ASP A 13 4.306 14.625 -7.389 1.00 0.00 C ATOM 158 C ASP A 13 3.146 15.563 -7.731 1.00 0.00 C ATOM 159 O ASP A 13 3.350 16.757 -7.942 1.00 0.00 O ATOM 160 CB ASP A 13 4.491 13.656 -8.558 1.00 0.00 C ATOM 161 CG ASP A 13 5.883 13.666 -9.193 1.00 0.00 C ATOM 162 OD1 ASP A 13 6.857 13.514 -8.425 1.00 0.00 O ATOM 163 OD2 ASP A 13 5.941 13.827 -10.431 1.00 0.00 O ATOM 0 H ASP A 13 3.045 14.032 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 13 5.229 15.183 -7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.274 12.646 -8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.756 13.894 -9.327 1.00 0.00 H new ATOM 168 N LYS A 14 1.954 14.986 -7.774 1.00 0.00 N ATOM 169 CA LYS A 14 0.762 15.755 -8.086 1.00 0.00 C ATOM 170 C LYS A 14 -0.468 15.023 -7.546 1.00 0.00 C ATOM 171 O LYS A 14 -0.355 13.917 -7.019 1.00 0.00 O ATOM 172 CB LYS A 14 0.692 16.051 -9.586 1.00 0.00 C ATOM 173 CG LYS A 14 -0.206 15.041 -10.303 1.00 0.00 C ATOM 174 CD LYS A 14 -0.423 15.440 -11.764 1.00 0.00 C ATOM 175 CE LYS A 14 0.273 14.458 -12.709 1.00 0.00 C ATOM 176 NZ LYS A 14 0.809 15.169 -13.891 1.00 0.00 N ATOM 0 H LYS A 14 1.789 13.995 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 14 0.797 16.727 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.309 17.059 -9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.694 16.020 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.246 14.050 -10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.167 14.978 -9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.490 15.467 -11.983 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.038 16.446 -11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.083 13.951 -12.184 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.431 13.689 -13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.278 14.489 -14.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.030 15.633 -14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.496 15.886 -13.583 1.00 0.00 H new ATOM 190 N PRO A 15 -1.646 15.687 -7.699 1.00 0.00 N ATOM 191 CA PRO A 15 -2.896 15.111 -7.233 1.00 0.00 C ATOM 192 C PRO A 15 -3.365 13.992 -8.165 1.00 0.00 C ATOM 193 O PRO A 15 -3.463 14.187 -9.375 1.00 0.00 O ATOM 194 CB PRO A 15 -3.867 16.278 -7.170 1.00 0.00 C ATOM 195 CG PRO A 15 -3.265 17.369 -8.040 1.00 0.00 C ATOM 196 CD PRO A 15 -1.817 16.998 -8.318 1.00 0.00 C ATOM 0 HA PRO A 15 -2.802 14.635 -6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.852 15.987 -7.535 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.996 16.623 -6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.821 17.463 -8.973 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.322 18.334 -7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.616 16.960 -9.389 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.131 17.730 -7.891 1.00 0.00 H new ATOM 204 N VAL A 16 -3.642 12.843 -7.565 1.00 0.00 N ATOM 205 CA VAL A 16 -4.099 11.693 -8.327 1.00 0.00 C ATOM 206 C VAL A 16 -5.079 12.157 -9.406 1.00 0.00 C ATOM 207 O VAL A 16 -5.636 13.250 -9.315 1.00 0.00 O ATOM 208 CB VAL A 16 -4.699 10.647 -7.385 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.600 9.889 -6.637 1.00 0.00 C ATOM 210 CG2 VAL A 16 -5.684 11.290 -6.407 1.00 0.00 C ATOM 0 H VAL A 16 -3.559 12.684 -6.561 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.261 11.214 -8.834 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.250 9.928 -7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.053 9.152 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.954 9.383 -7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.009 10.591 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.096 10.525 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.166 12.041 -5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.493 11.763 -6.964 1.00 0.00 H new ATOM 220 N THR A 17 -5.260 11.304 -10.403 1.00 0.00 N ATOM 221 CA THR A 17 -6.163 11.613 -11.499 1.00 0.00 C ATOM 222 C THR A 17 -6.905 10.354 -11.949 1.00 0.00 C ATOM 223 O THR A 17 -6.566 9.247 -11.535 1.00 0.00 O ATOM 224 CB THR A 17 -5.346 12.269 -12.614 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.257 12.356 -13.706 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.228 11.362 -13.132 1.00 0.00 C ATOM 0 H THR A 17 -4.796 10.398 -10.475 1.00 0.00 H new ATOM 0 HA THR A 17 -6.937 12.315 -11.188 1.00 0.00 H new ATOM 0 HB THR A 17 -4.916 13.202 -12.249 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.810 12.772 -14.473 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.679 11.875 -13.922 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.548 11.120 -12.315 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.659 10.443 -13.529 1.00 0.00 H new ATOM 234 N GLY A 18 -7.905 10.565 -12.793 1.00 0.00 N ATOM 235 CA GLY A 18 -8.699 9.460 -13.304 1.00 0.00 C ATOM 236 C GLY A 18 -7.812 8.262 -13.648 1.00 0.00 C ATOM 237 O GLY A 18 -8.230 7.114 -13.502 1.00 0.00 O ATOM 0 H GLY A 18 -8.183 11.485 -13.136 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.441 9.167 -12.561 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.245 9.780 -14.191 1.00 0.00 H new ATOM 241 N GLU A 19 -6.604 8.569 -14.098 1.00 0.00 N ATOM 242 CA GLU A 19 -5.655 7.531 -14.463 1.00 0.00 C ATOM 243 C GLU A 19 -5.265 6.712 -13.232 1.00 0.00 C ATOM 244 O GLU A 19 -5.303 5.482 -13.262 1.00 0.00 O ATOM 245 CB GLU A 19 -4.420 8.130 -15.138 1.00 0.00 C ATOM 246 CG GLU A 19 -3.693 7.082 -15.982 1.00 0.00 C ATOM 247 CD GLU A 19 -3.251 7.669 -17.324 1.00 0.00 C ATOM 248 OE1 GLU A 19 -4.145 8.143 -18.059 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.029 7.632 -17.585 1.00 0.00 O ATOM 0 H GLU A 19 -6.261 9.522 -14.218 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.133 6.865 -15.181 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.717 8.968 -15.769 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.743 8.525 -14.381 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.823 6.712 -15.439 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.349 6.229 -16.153 1.00 0.00 H new ATOM 256 N GLN A 20 -4.898 7.426 -12.177 1.00 0.00 N ATOM 257 CA GLN A 20 -4.500 6.780 -10.938 1.00 0.00 C ATOM 258 C GLN A 20 -5.733 6.299 -10.171 1.00 0.00 C ATOM 259 O GLN A 20 -5.769 5.166 -9.692 1.00 0.00 O ATOM 260 CB GLN A 20 -3.651 7.719 -10.078 1.00 0.00 C ATOM 261 CG GLN A 20 -2.256 7.900 -10.679 1.00 0.00 C ATOM 262 CD GLN A 20 -1.224 8.199 -9.588 1.00 0.00 C ATOM 263 OE1 GLN A 20 -0.766 7.322 -8.874 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.887 9.482 -9.500 1.00 0.00 N ATOM 0 H GLN A 20 -4.868 8.445 -12.155 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.887 5.913 -11.184 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.144 8.688 -9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.567 7.317 -9.068 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.969 6.998 -11.219 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.271 8.714 -11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.309 10.165 -10.130 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.206 9.784 -8.803 1.00 0.00 H new ATOM 273 N ILE A 21 -6.715 7.184 -10.077 1.00 0.00 N ATOM 274 CA ILE A 21 -7.947 6.864 -9.376 1.00 0.00 C ATOM 275 C ILE A 21 -8.358 5.428 -9.707 1.00 0.00 C ATOM 276 O ILE A 21 -8.267 4.542 -8.859 1.00 0.00 O ATOM 277 CB ILE A 21 -9.027 7.901 -9.691 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.747 9.221 -8.970 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.420 7.356 -9.369 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.032 10.031 -8.791 1.00 0.00 C ATOM 0 H ILE A 21 -6.682 8.123 -10.475 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.796 6.912 -8.298 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.001 8.107 -10.761 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.301 9.020 -7.996 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.022 9.803 -9.539 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.169 8.112 -9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.608 6.463 -9.965 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.476 7.104 -8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.805 10.964 -8.276 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.462 10.251 -9.768 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.746 9.456 -8.201 1.00 0.00 H new ATOM 292 N GLU A 22 -8.803 5.242 -10.941 1.00 0.00 N ATOM 293 CA GLU A 22 -9.229 3.929 -11.393 1.00 0.00 C ATOM 294 C GLU A 22 -8.270 2.853 -10.877 1.00 0.00 C ATOM 295 O GLU A 22 -8.706 1.811 -10.392 1.00 0.00 O ATOM 296 CB GLU A 22 -9.335 3.882 -12.919 1.00 0.00 C ATOM 297 CG GLU A 22 -8.059 4.415 -13.574 1.00 0.00 C ATOM 298 CD GLU A 22 -7.129 3.268 -13.976 1.00 0.00 C ATOM 299 OE1 GLU A 22 -7.338 2.156 -13.446 1.00 0.00 O ATOM 300 OE2 GLU A 22 -6.230 3.530 -14.804 1.00 0.00 O ATOM 0 H GLU A 22 -8.878 5.979 -11.642 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.221 3.730 -10.986 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.514 2.857 -13.243 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.190 4.473 -13.246 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.317 5.005 -14.454 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.543 5.082 -12.883 1.00 0.00 H new ATOM 307 N VAL A 23 -6.984 3.144 -11.001 1.00 0.00 N ATOM 308 CA VAL A 23 -5.960 2.215 -10.553 1.00 0.00 C ATOM 309 C VAL A 23 -6.097 2.001 -9.044 1.00 0.00 C ATOM 310 O VAL A 23 -6.233 0.869 -8.584 1.00 0.00 O ATOM 311 CB VAL A 23 -4.577 2.723 -10.962 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.514 2.300 -9.946 1.00 0.00 C ATOM 313 CG2 VAL A 23 -4.211 2.245 -12.369 1.00 0.00 C ATOM 0 H VAL A 23 -6.627 4.010 -11.405 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.089 1.244 -11.032 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.612 3.812 -10.976 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.540 2.674 -10.261 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.762 2.712 -8.968 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.482 1.212 -9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.223 2.620 -12.635 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.204 1.155 -12.393 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.945 2.619 -13.083 1.00 0.00 H new ATOM 323 N PHE A 24 -6.055 3.107 -8.316 1.00 0.00 N ATOM 324 CA PHE A 24 -6.172 3.055 -6.869 1.00 0.00 C ATOM 325 C PHE A 24 -7.311 2.127 -6.444 1.00 0.00 C ATOM 326 O PHE A 24 -7.106 1.209 -5.651 1.00 0.00 O ATOM 327 CB PHE A 24 -6.483 4.476 -6.394 1.00 0.00 C ATOM 328 CG PHE A 24 -5.668 4.918 -5.177 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.991 4.458 -3.938 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.620 5.771 -5.334 1.00 0.00 C ATOM 331 CE1 PHE A 24 -5.234 4.869 -2.809 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.864 6.181 -4.204 1.00 0.00 C ATOM 333 CZ PHE A 24 -4.187 5.722 -2.966 1.00 0.00 C ATOM 0 H PHE A 24 -5.942 4.045 -8.701 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.248 2.674 -6.435 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.299 5.171 -7.214 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.544 4.543 -6.152 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.823 3.781 -3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.363 6.136 -6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.490 4.504 -1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.032 6.858 -4.328 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.612 6.035 -2.107 1.00 0.00 H new ATOM 343 N ALA A 25 -8.487 2.398 -6.990 1.00 0.00 N ATOM 344 CA ALA A 25 -9.660 1.598 -6.677 1.00 0.00 C ATOM 345 C ALA A 25 -9.254 0.127 -6.569 1.00 0.00 C ATOM 346 O ALA A 25 -9.346 -0.469 -5.497 1.00 0.00 O ATOM 347 CB ALA A 25 -10.735 1.830 -7.741 1.00 0.00 C ATOM 0 H ALA A 25 -8.653 3.160 -7.647 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.082 1.895 -5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.614 1.230 -7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.009 2.885 -7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.348 1.540 -8.718 1.00 0.00 H new ATOM 353 N ASN A 26 -8.815 -0.417 -7.695 1.00 0.00 N ATOM 354 CA ASN A 26 -8.395 -1.807 -7.740 1.00 0.00 C ATOM 355 C ASN A 26 -7.553 -2.122 -6.501 1.00 0.00 C ATOM 356 O ASN A 26 -7.756 -3.147 -5.853 1.00 0.00 O ATOM 357 CB ASN A 26 -7.538 -2.083 -8.977 1.00 0.00 C ATOM 358 CG ASN A 26 -8.329 -1.828 -10.261 1.00 0.00 C ATOM 359 OD1 ASN A 26 -8.179 -0.603 -10.755 1.00 0.00 O flip ATOM 360 ND2 ASN A 26 -9.030 -2.688 -10.770 1.00 0.00 N flip ATOM 0 H ASN A 26 -8.741 0.080 -8.583 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.290 -2.429 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.652 -1.448 -8.959 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.190 -3.116 -8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.101 -3.609 -10.338 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.545 -2.485 -11.627 1.00 0.00 H new ATOM 367 N LYS A 27 -6.627 -1.221 -6.210 1.00 0.00 N ATOM 368 CA LYS A 27 -5.754 -1.390 -5.061 1.00 0.00 C ATOM 369 C LYS A 27 -6.584 -1.303 -3.779 1.00 0.00 C ATOM 370 O LYS A 27 -6.650 -2.263 -3.012 1.00 0.00 O ATOM 371 CB LYS A 27 -4.598 -0.388 -5.114 1.00 0.00 C ATOM 372 CG LYS A 27 -3.886 -0.444 -6.467 1.00 0.00 C ATOM 373 CD LYS A 27 -3.160 0.871 -6.760 1.00 0.00 C ATOM 374 CE LYS A 27 -1.646 0.660 -6.820 1.00 0.00 C ATOM 375 NZ LYS A 27 -1.229 0.293 -8.192 1.00 0.00 N ATOM 0 H LYS A 27 -6.462 -0.371 -6.750 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.291 -2.377 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.977 0.619 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.888 -0.604 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.171 -1.267 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.611 -0.647 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.511 1.281 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.399 1.602 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.133 1.570 -6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.354 -0.125 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.225 0.022 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.803 -0.507 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.366 1.106 -8.826 1.00 0.00 H new ATOM 389 N LEU A 28 -7.196 -0.145 -3.585 1.00 0.00 N ATOM 390 CA LEU A 28 -8.019 0.079 -2.408 1.00 0.00 C ATOM 391 C LEU A 28 -8.830 -1.183 -2.110 1.00 0.00 C ATOM 392 O LEU A 28 -8.587 -1.860 -1.112 1.00 0.00 O ATOM 393 CB LEU A 28 -8.877 1.334 -2.586 1.00 0.00 C ATOM 394 CG LEU A 28 -9.627 1.814 -1.342 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.772 1.641 -0.085 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.107 3.257 -1.514 1.00 0.00 C ATOM 0 H LEU A 28 -7.139 0.649 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.393 0.269 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.235 2.143 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.605 1.144 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.513 1.192 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.329 1.990 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.522 0.588 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.855 2.222 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.637 3.574 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.249 3.909 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.778 3.318 -2.371 1.00 0.00 H new ATOM 408 N GLY A 29 -9.776 -1.463 -2.995 1.00 0.00 N ATOM 409 CA GLY A 29 -10.624 -2.633 -2.839 1.00 0.00 C ATOM 410 C GLY A 29 -11.732 -2.374 -1.817 1.00 0.00 C ATOM 411 O GLY A 29 -12.437 -1.370 -1.901 1.00 0.00 O ATOM 0 H GLY A 29 -9.974 -0.900 -3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.065 -2.898 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.021 -3.483 -2.520 1.00 0.00 H new ATOM 415 N GLU A 30 -11.852 -3.298 -0.874 1.00 0.00 N ATOM 416 CA GLU A 30 -12.863 -3.182 0.163 1.00 0.00 C ATOM 417 C GLU A 30 -12.364 -2.277 1.291 1.00 0.00 C ATOM 418 O GLU A 30 -13.048 -2.101 2.298 1.00 0.00 O ATOM 419 CB GLU A 30 -13.258 -4.560 0.699 1.00 0.00 C ATOM 420 CG GLU A 30 -12.087 -5.221 1.428 1.00 0.00 C ATOM 421 CD GLU A 30 -12.491 -6.585 1.991 1.00 0.00 C ATOM 422 OE1 GLU A 30 -13.596 -6.654 2.573 1.00 0.00 O ATOM 423 OE2 GLU A 30 -11.687 -7.528 1.828 1.00 0.00 O ATOM 0 H GLU A 30 -11.266 -4.130 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.753 -2.729 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.105 -4.461 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.583 -5.195 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.248 -5.341 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.747 -4.575 2.238 1.00 0.00 H new ATOM 430 N GLN A 31 -11.176 -1.727 1.085 1.00 0.00 N ATOM 431 CA GLN A 31 -10.578 -0.845 2.072 1.00 0.00 C ATOM 432 C GLN A 31 -11.136 0.572 1.925 1.00 0.00 C ATOM 433 O GLN A 31 -10.762 1.472 2.675 1.00 0.00 O ATOM 434 CB GLN A 31 -9.053 -0.848 1.958 1.00 0.00 C ATOM 435 CG GLN A 31 -8.427 -1.775 3.003 1.00 0.00 C ATOM 436 CD GLN A 31 -7.556 -2.842 2.338 1.00 0.00 C ATOM 437 OE1 GLN A 31 -7.090 -2.692 1.220 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.364 -3.926 3.084 1.00 0.00 N ATOM 0 H GLN A 31 -10.612 -1.876 0.248 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.836 -1.215 3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.760 -1.170 0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.673 0.165 2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.825 -1.191 3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.213 -2.254 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.783 -3.987 4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.798 -4.696 2.728 1.00 0.00 H new ATOM 447 N TRP A 32 -12.022 0.727 0.951 1.00 0.00 N ATOM 448 CA TRP A 32 -12.635 2.019 0.696 1.00 0.00 C ATOM 449 C TRP A 32 -13.437 2.416 1.937 1.00 0.00 C ATOM 450 O TRP A 32 -13.641 3.601 2.195 1.00 0.00 O ATOM 451 CB TRP A 32 -13.483 1.982 -0.577 1.00 0.00 C ATOM 452 CG TRP A 32 -14.822 1.260 -0.412 1.00 0.00 C ATOM 453 CD1 TRP A 32 -15.113 -0.015 -0.701 1.00 0.00 C ATOM 454 CD2 TRP A 32 -16.047 1.829 0.096 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.431 -0.310 -0.417 1.00 0.00 N ATOM 456 CE2 TRP A 32 -17.017 0.847 0.083 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.327 3.129 0.552 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.332 1.063 0.514 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.645 3.328 0.979 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.633 2.351 0.972 1.00 0.00 C ATOM 0 H TRP A 32 -12.329 -0.021 0.330 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.873 2.778 0.517 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.671 3.004 -0.906 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.913 1.493 -1.367 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.405 -0.723 -1.105 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.890 -1.211 -0.550 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.584 3.912 0.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -19.074 0.278 0.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.913 4.310 1.339 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.629 2.584 1.318 1.00 0.00 H new ATOM 471 N LYS A 33 -13.869 1.402 2.672 1.00 0.00 N ATOM 472 CA LYS A 33 -14.644 1.631 3.879 1.00 0.00 C ATOM 473 C LYS A 33 -13.693 1.897 5.048 1.00 0.00 C ATOM 474 O LYS A 33 -14.125 2.314 6.121 1.00 0.00 O ATOM 475 CB LYS A 33 -15.609 0.469 4.124 1.00 0.00 C ATOM 476 CG LYS A 33 -17.004 0.982 4.488 1.00 0.00 C ATOM 477 CD LYS A 33 -17.890 -0.155 5.002 1.00 0.00 C ATOM 478 CE LYS A 33 -18.835 0.340 6.099 1.00 0.00 C ATOM 479 NZ LYS A 33 -19.583 -0.793 6.689 1.00 0.00 N ATOM 0 H LYS A 33 -13.697 0.420 2.455 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.269 2.517 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.668 -0.154 3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.228 -0.161 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.923 1.757 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.466 1.441 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.470 -0.570 4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.266 -0.960 5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.265 0.851 6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.533 1.068 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.220 -0.440 7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.142 -1.263 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.914 -1.473 7.102 1.00 0.00 H new ATOM 493 N ILE A 34 -12.417 1.645 4.799 1.00 0.00 N ATOM 494 CA ILE A 34 -11.401 1.853 5.817 1.00 0.00 C ATOM 495 C ILE A 34 -10.773 3.236 5.631 1.00 0.00 C ATOM 496 O ILE A 34 -10.239 3.811 6.577 1.00 0.00 O ATOM 497 CB ILE A 34 -10.385 0.709 5.801 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.084 -0.648 5.901 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.333 0.894 6.897 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.076 -1.794 5.800 1.00 0.00 C ATOM 0 H ILE A 34 -12.063 1.299 3.907 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.849 1.838 6.811 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.862 0.731 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.622 -0.715 6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.824 -0.739 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.623 0.067 6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.804 1.833 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.822 0.913 7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.600 -2.747 5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.557 -1.739 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.352 -1.714 6.611 1.00 0.00 H new ATOM 512 N LEU A 35 -10.859 3.729 4.404 1.00 0.00 N ATOM 513 CA LEU A 35 -10.307 5.034 4.082 1.00 0.00 C ATOM 514 C LEU A 35 -11.418 6.084 4.147 1.00 0.00 C ATOM 515 O LEU A 35 -11.144 7.283 4.150 1.00 0.00 O ATOM 516 CB LEU A 35 -9.580 4.990 2.736 1.00 0.00 C ATOM 517 CG LEU A 35 -8.051 5.005 2.799 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.457 5.605 1.523 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.561 5.729 4.054 1.00 0.00 C ATOM 0 H LEU A 35 -11.302 3.248 3.621 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.554 5.321 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.893 4.091 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.908 5.842 2.140 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.701 3.975 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.369 5.604 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.766 5.010 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.812 6.628 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.471 5.725 4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.920 6.758 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.942 5.220 4.940 1.00 0.00 H new ATOM 531 N ALA A 36 -12.648 5.595 4.199 1.00 0.00 N ATOM 532 CA ALA A 36 -13.801 6.476 4.264 1.00 0.00 C ATOM 533 C ALA A 36 -13.790 7.226 5.598 1.00 0.00 C ATOM 534 O ALA A 36 -13.919 8.449 5.628 1.00 0.00 O ATOM 535 CB ALA A 36 -15.080 5.660 4.065 1.00 0.00 C ATOM 0 H ALA A 36 -12.871 4.600 4.197 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.761 7.219 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.945 6.322 4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.052 5.171 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.156 4.905 4.848 1.00 0.00 H new ATOM 541 N PRO A 37 -13.630 6.441 6.697 1.00 0.00 N ATOM 542 CA PRO A 37 -13.601 7.018 8.030 1.00 0.00 C ATOM 543 C PRO A 37 -12.267 7.719 8.295 1.00 0.00 C ATOM 544 O PRO A 37 -12.057 8.276 9.372 1.00 0.00 O ATOM 545 CB PRO A 37 -13.854 5.850 8.970 1.00 0.00 C ATOM 546 CG PRO A 37 -13.554 4.595 8.166 1.00 0.00 C ATOM 547 CD PRO A 37 -13.475 4.989 6.700 1.00 0.00 C ATOM 0 HA PRO A 37 -14.353 7.794 8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.215 5.912 9.851 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.885 5.850 9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.615 4.148 8.492 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.333 3.848 8.319 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.523 4.692 6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.259 4.506 6.117 1.00 0.00 H new ATOM 555 N TYR A 38 -11.400 7.669 7.294 1.00 0.00 N ATOM 556 CA TYR A 38 -10.092 8.293 7.405 1.00 0.00 C ATOM 557 C TYR A 38 -9.933 9.419 6.381 1.00 0.00 C ATOM 558 O TYR A 38 -8.923 10.121 6.377 1.00 0.00 O ATOM 559 CB TYR A 38 -9.074 7.194 7.098 1.00 0.00 C ATOM 560 CG TYR A 38 -8.671 6.361 8.317 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.511 5.371 8.785 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.467 6.599 8.948 1.00 0.00 C ATOM 563 CE1 TYR A 38 -9.132 4.588 9.932 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.088 5.816 10.096 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.939 4.848 10.531 1.00 0.00 C ATOM 566 OH TYR A 38 -7.581 4.108 11.614 1.00 0.00 O ATOM 0 H TYR A 38 -11.578 7.206 6.403 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.955 8.725 8.396 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.488 6.531 6.339 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.181 7.649 6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.453 5.184 8.291 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.809 7.373 8.581 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.781 3.811 10.309 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.149 5.993 10.600 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.645 3.832 11.526 1.00 0.00 H new ATOM 576 N LEU A 39 -10.947 9.557 5.539 1.00 0.00 N ATOM 577 CA LEU A 39 -10.932 10.586 4.513 1.00 0.00 C ATOM 578 C LEU A 39 -11.795 11.765 4.967 1.00 0.00 C ATOM 579 O LEU A 39 -11.841 12.797 4.300 1.00 0.00 O ATOM 580 CB LEU A 39 -11.350 10.001 3.162 1.00 0.00 C ATOM 581 CG LEU A 39 -10.211 9.586 2.229 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.134 8.810 2.990 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.744 8.800 1.029 1.00 0.00 C ATOM 0 H LEU A 39 -11.784 8.974 5.546 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.921 10.967 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.979 9.130 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.967 10.736 2.645 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.742 10.490 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.336 8.527 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.725 9.437 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.572 7.913 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.914 8.517 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.253 7.902 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.445 9.420 0.470 1.00 0.00 H new ATOM 595 N GLU A 40 -12.457 11.571 6.098 1.00 0.00 N ATOM 596 CA GLU A 40 -13.316 12.606 6.648 1.00 0.00 C ATOM 597 C GLU A 40 -14.574 12.762 5.792 1.00 0.00 C ATOM 598 O GLU A 40 -14.984 13.880 5.483 1.00 0.00 O ATOM 599 CB GLU A 40 -12.566 13.934 6.769 1.00 0.00 C ATOM 600 CG GLU A 40 -11.219 13.742 7.469 1.00 0.00 C ATOM 601 CD GLU A 40 -11.399 13.639 8.985 1.00 0.00 C ATOM 602 OE1 GLU A 40 -11.977 12.620 9.420 1.00 0.00 O ATOM 603 OE2 GLU A 40 -10.953 14.582 9.674 1.00 0.00 O ATOM 0 H GLU A 40 -12.416 10.713 6.648 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.618 12.305 7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.407 14.358 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.171 14.648 7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.736 12.840 7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.560 14.578 7.233 1.00 0.00 H new ATOM 610 N MET A 41 -15.152 11.625 5.434 1.00 0.00 N ATOM 611 CA MET A 41 -16.356 11.622 4.619 1.00 0.00 C ATOM 612 C MET A 41 -17.610 11.647 5.495 1.00 0.00 C ATOM 613 O MET A 41 -17.518 11.769 6.715 1.00 0.00 O ATOM 614 CB MET A 41 -16.373 10.372 3.738 1.00 0.00 C ATOM 615 CG MET A 41 -15.128 10.311 2.850 1.00 0.00 C ATOM 616 SD MET A 41 -15.036 11.771 1.827 1.00 0.00 S ATOM 617 CE MET A 41 -15.376 11.052 0.229 1.00 0.00 C ATOM 0 H MET A 41 -14.810 10.700 5.693 1.00 0.00 H new ATOM 0 HA MET A 41 -16.353 12.516 3.996 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.421 9.481 4.365 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.268 10.373 3.116 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.234 10.233 3.468 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.161 9.420 2.224 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.706 11.831 -0.458 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.471 10.585 -0.160 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.159 10.300 0.328 1.00 0.00 H new ATOM 627 N LYS A 42 -18.754 11.528 4.837 1.00 0.00 N ATOM 628 CA LYS A 42 -20.026 11.534 5.541 1.00 0.00 C ATOM 629 C LYS A 42 -20.675 10.154 5.425 1.00 0.00 C ATOM 630 O LYS A 42 -20.700 9.564 4.346 1.00 0.00 O ATOM 631 CB LYS A 42 -20.912 12.675 5.035 1.00 0.00 C ATOM 632 CG LYS A 42 -20.249 14.032 5.275 1.00 0.00 C ATOM 633 CD LYS A 42 -20.703 14.637 6.605 1.00 0.00 C ATOM 634 CE LYS A 42 -22.171 15.064 6.540 1.00 0.00 C ATOM 635 NZ LYS A 42 -22.294 16.527 6.720 1.00 0.00 N ATOM 0 H LYS A 42 -18.827 11.427 3.825 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.873 11.726 6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.106 12.544 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.877 12.643 5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.165 13.916 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.497 14.711 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -20.567 13.909 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.080 15.498 6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -22.598 14.773 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -22.741 14.548 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -23.297 16.799 6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.905 16.797 7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -21.767 17.015 5.968 1.00 0.00 H new ATOM 649 N ASP A 43 -21.184 9.678 6.552 1.00 0.00 N ATOM 650 CA ASP A 43 -21.832 8.378 6.591 1.00 0.00 C ATOM 651 C ASP A 43 -22.717 8.217 5.353 1.00 0.00 C ATOM 652 O ASP A 43 -22.594 7.236 4.622 1.00 0.00 O ATOM 653 CB ASP A 43 -22.721 8.242 7.829 1.00 0.00 C ATOM 654 CG ASP A 43 -23.527 9.492 8.186 1.00 0.00 C ATOM 655 OD1 ASP A 43 -22.886 10.550 8.364 1.00 0.00 O ATOM 656 OD2 ASP A 43 -24.767 9.361 8.273 1.00 0.00 O ATOM 0 H ASP A 43 -21.161 10.170 7.445 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.055 7.615 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -23.413 7.414 7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -22.094 7.976 8.680 1.00 0.00 H new ATOM 661 N SER A 44 -23.589 9.195 5.157 1.00 0.00 N ATOM 662 CA SER A 44 -24.494 9.174 4.021 1.00 0.00 C ATOM 663 C SER A 44 -23.726 8.818 2.746 1.00 0.00 C ATOM 664 O SER A 44 -24.174 7.986 1.959 1.00 0.00 O ATOM 665 CB SER A 44 -25.202 10.520 3.855 1.00 0.00 C ATOM 666 OG SER A 44 -24.278 11.599 3.746 1.00 0.00 O ATOM 0 H SER A 44 -23.688 10.007 5.766 1.00 0.00 H new ATOM 0 HA SER A 44 -25.254 8.414 4.204 1.00 0.00 H new ATOM 0 HB2 SER A 44 -25.832 10.491 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 44 -25.860 10.691 4.707 1.00 0.00 H new ATOM 0 HG SER A 44 -24.769 12.441 3.640 1.00 0.00 H new ATOM 672 N GLU A 45 -22.582 9.465 2.583 1.00 0.00 N ATOM 673 CA GLU A 45 -21.747 9.228 1.418 1.00 0.00 C ATOM 674 C GLU A 45 -21.359 7.750 1.335 1.00 0.00 C ATOM 675 O GLU A 45 -21.564 7.107 0.306 1.00 0.00 O ATOM 676 CB GLU A 45 -20.504 10.120 1.442 1.00 0.00 C ATOM 677 CG GLU A 45 -20.585 11.202 0.363 1.00 0.00 C ATOM 678 CD GLU A 45 -20.838 10.585 -1.014 1.00 0.00 C ATOM 679 OE1 GLU A 45 -19.834 10.227 -1.668 1.00 0.00 O ATOM 680 OE2 GLU A 45 -22.028 10.486 -1.381 1.00 0.00 O ATOM 0 H GLU A 45 -22.213 10.154 3.239 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.320 9.484 0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.405 10.586 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.613 9.512 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.385 11.902 0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.657 11.773 0.345 1.00 0.00 H new ATOM 687 N ILE A 46 -20.807 7.254 2.432 1.00 0.00 N ATOM 688 CA ILE A 46 -20.389 5.863 2.496 1.00 0.00 C ATOM 689 C ILE A 46 -21.549 4.966 2.060 1.00 0.00 C ATOM 690 O ILE A 46 -21.340 3.962 1.381 1.00 0.00 O ATOM 691 CB ILE A 46 -19.844 5.532 3.887 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.647 6.420 4.233 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.505 4.044 4.003 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.402 6.445 5.743 1.00 0.00 C ATOM 0 H ILE A 46 -20.639 7.790 3.284 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.567 5.679 1.804 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.624 5.743 4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.757 6.052 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.825 7.433 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.120 3.835 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.403 3.452 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.750 3.784 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.546 7.083 5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.285 6.836 6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.200 5.434 6.096 1.00 0.00 H new ATOM 706 N ARG A 47 -22.746 5.361 2.468 1.00 0.00 N ATOM 707 CA ARG A 47 -23.939 4.604 2.128 1.00 0.00 C ATOM 708 C ARG A 47 -24.262 4.763 0.641 1.00 0.00 C ATOM 709 O ARG A 47 -24.436 3.773 -0.069 1.00 0.00 O ATOM 710 CB ARG A 47 -25.139 5.068 2.955 1.00 0.00 C ATOM 711 CG ARG A 47 -25.125 4.431 4.346 1.00 0.00 C ATOM 712 CD ARG A 47 -24.626 5.424 5.399 1.00 0.00 C ATOM 713 NE ARG A 47 -25.167 5.065 6.729 1.00 0.00 N ATOM 714 CZ ARG A 47 -24.739 4.026 7.459 1.00 0.00 C ATOM 715 NH1 ARG A 47 -23.763 3.235 6.991 1.00 0.00 N ATOM 716 NH2 ARG A 47 -25.288 3.776 8.655 1.00 0.00 N ATOM 0 H ARG A 47 -22.915 6.195 3.031 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.742 3.555 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.123 6.154 3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -26.063 4.806 2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -26.128 4.094 4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.484 3.549 4.340 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -23.536 5.420 5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -24.934 6.435 5.133 1.00 0.00 H new ATOM 0 HE ARG A 47 -25.912 5.645 7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -23.346 3.424 6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.437 2.444 7.547 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.032 4.377 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -24.962 2.985 9.210 1.00 0.00 H new ATOM 730 N GLN A 48 -24.332 6.015 0.213 1.00 0.00 N ATOM 731 CA GLN A 48 -24.630 6.315 -1.177 1.00 0.00 C ATOM 732 C GLN A 48 -23.797 5.427 -2.103 1.00 0.00 C ATOM 733 O GLN A 48 -24.344 4.616 -2.849 1.00 0.00 O ATOM 734 CB GLN A 48 -24.396 7.796 -1.480 1.00 0.00 C ATOM 735 CG GLN A 48 -25.428 8.673 -0.768 1.00 0.00 C ATOM 736 CD GLN A 48 -26.727 8.754 -1.572 1.00 0.00 C ATOM 737 OE1 GLN A 48 -26.866 9.535 -2.498 1.00 0.00 O ATOM 738 NE2 GLN A 48 -27.668 7.905 -1.167 1.00 0.00 N ATOM 0 H GLN A 48 -24.187 6.833 0.804 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.684 6.103 -1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.392 8.081 -1.164 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.452 7.964 -2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.634 8.267 0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.022 9.674 -0.624 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.486 7.277 -0.384 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -28.572 7.882 -1.640 1.00 0.00 H new ATOM 747 N ILE A 49 -22.487 5.610 -2.025 1.00 0.00 N ATOM 748 CA ILE A 49 -21.573 4.835 -2.847 1.00 0.00 C ATOM 749 C ILE A 49 -22.012 3.370 -2.847 1.00 0.00 C ATOM 750 O ILE A 49 -22.383 2.829 -3.888 1.00 0.00 O ATOM 751 CB ILE A 49 -20.129 5.045 -2.386 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.666 6.476 -2.669 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.197 4.006 -3.013 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.672 6.950 -1.607 1.00 0.00 C ATOM 0 H ILE A 49 -22.037 6.284 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.606 5.178 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 49 -20.090 4.902 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.202 6.524 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.527 7.143 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.177 4.178 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.516 3.006 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.233 4.093 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.359 7.970 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -19.147 6.924 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.801 6.295 -1.606 1.00 0.00 H new ATOM 766 N GLU A 50 -21.954 2.768 -1.668 1.00 0.00 N ATOM 767 CA GLU A 50 -22.341 1.375 -1.519 1.00 0.00 C ATOM 768 C GLU A 50 -23.549 1.062 -2.404 1.00 0.00 C ATOM 769 O GLU A 50 -23.600 0.011 -3.041 1.00 0.00 O ATOM 770 CB GLU A 50 -22.633 1.041 -0.055 1.00 0.00 C ATOM 771 CG GLU A 50 -21.466 0.279 0.577 1.00 0.00 C ATOM 772 CD GLU A 50 -21.970 -0.782 1.557 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.520 -1.792 1.067 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.794 -0.559 2.774 1.00 0.00 O ATOM 0 H GLU A 50 -21.645 3.219 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.508 0.750 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.816 1.960 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.541 0.442 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.871 -0.195 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.810 0.977 1.097 1.00 0.00 H new ATOM 781 N CYS A 51 -24.491 1.993 -2.416 1.00 0.00 N ATOM 782 CA CYS A 51 -25.695 1.830 -3.212 1.00 0.00 C ATOM 783 C CYS A 51 -25.345 2.109 -4.675 1.00 0.00 C ATOM 784 O CYS A 51 -25.610 1.285 -5.549 1.00 0.00 O ATOM 785 CB CYS A 51 -26.829 2.729 -2.715 1.00 0.00 C ATOM 786 SG CYS A 51 -28.445 2.039 -3.225 1.00 0.00 S ATOM 0 H CYS A 51 -24.445 2.864 -1.887 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.062 0.808 -3.115 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.787 2.814 -1.629 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.710 3.735 -3.118 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.401 2.809 -2.796 1.00 0.00 H new ATOM 792 N ASP A 52 -24.755 3.274 -4.897 1.00 0.00 N ATOM 793 CA ASP A 52 -24.366 3.673 -6.239 1.00 0.00 C ATOM 794 C ASP A 52 -23.763 2.470 -6.969 1.00 0.00 C ATOM 795 O ASP A 52 -24.307 2.011 -7.972 1.00 0.00 O ATOM 796 CB ASP A 52 -23.311 4.780 -6.201 1.00 0.00 C ATOM 797 CG ASP A 52 -23.639 6.015 -7.043 1.00 0.00 C ATOM 798 OD1 ASP A 52 -23.590 5.884 -8.286 1.00 0.00 O ATOM 799 OD2 ASP A 52 -23.931 7.062 -6.426 1.00 0.00 O ATOM 0 H ASP A 52 -24.537 3.955 -4.170 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.255 4.040 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -23.170 5.091 -5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.361 4.368 -6.542 1.00 0.00 H new ATOM 804 N SER A 53 -22.647 1.995 -6.436 1.00 0.00 N ATOM 805 CA SER A 53 -21.964 0.855 -7.024 1.00 0.00 C ATOM 806 C SER A 53 -22.269 -0.410 -6.219 1.00 0.00 C ATOM 807 O SER A 53 -23.235 -0.448 -5.459 1.00 0.00 O ATOM 808 CB SER A 53 -20.454 1.091 -7.090 1.00 0.00 C ATOM 809 OG SER A 53 -19.854 1.075 -5.797 1.00 0.00 O ATOM 0 H SER A 53 -22.199 2.378 -5.604 1.00 0.00 H new ATOM 0 HA SER A 53 -22.329 0.726 -8.043 1.00 0.00 H new ATOM 0 HB2 SER A 53 -19.994 0.324 -7.713 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.258 2.050 -7.569 1.00 0.00 H new ATOM 0 HG SER A 53 -19.854 1.982 -5.425 1.00 0.00 H new ATOM 815 N GLU A 54 -21.426 -1.414 -6.413 1.00 0.00 N ATOM 816 CA GLU A 54 -21.593 -2.677 -5.714 1.00 0.00 C ATOM 817 C GLU A 54 -20.229 -3.283 -5.380 1.00 0.00 C ATOM 818 O GLU A 54 -19.915 -3.506 -4.212 1.00 0.00 O ATOM 819 CB GLU A 54 -22.439 -3.651 -6.537 1.00 0.00 C ATOM 820 CG GLU A 54 -23.194 -4.623 -5.629 1.00 0.00 C ATOM 821 CD GLU A 54 -23.487 -5.937 -6.356 1.00 0.00 C ATOM 822 OE1 GLU A 54 -24.274 -5.886 -7.326 1.00 0.00 O ATOM 823 OE2 GLU A 54 -22.918 -6.963 -5.926 1.00 0.00 O ATOM 0 H GLU A 54 -20.625 -1.378 -7.044 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.122 -2.486 -4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.148 -3.094 -7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -21.798 -4.209 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -22.605 -4.822 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.129 -4.168 -5.301 1.00 0.00 H new ATOM 830 N ASP A 55 -19.455 -3.532 -6.426 1.00 0.00 N ATOM 831 CA ASP A 55 -18.132 -4.108 -6.258 1.00 0.00 C ATOM 832 C ASP A 55 -17.244 -3.121 -5.497 1.00 0.00 C ATOM 833 O ASP A 55 -17.387 -1.908 -5.646 1.00 0.00 O ATOM 834 CB ASP A 55 -17.476 -4.387 -7.612 1.00 0.00 C ATOM 835 CG ASP A 55 -17.322 -5.868 -7.962 1.00 0.00 C ATOM 836 OD1 ASP A 55 -17.809 -6.695 -7.161 1.00 0.00 O ATOM 837 OD2 ASP A 55 -16.721 -6.140 -9.024 1.00 0.00 O ATOM 0 H ASP A 55 -19.719 -3.345 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.239 -5.044 -5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.066 -3.904 -8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.490 -3.922 -7.624 1.00 0.00 H new ATOM 842 N MET A 56 -16.345 -3.677 -4.698 1.00 0.00 N ATOM 843 CA MET A 56 -15.434 -2.861 -3.914 1.00 0.00 C ATOM 844 C MET A 56 -14.520 -2.034 -4.820 1.00 0.00 C ATOM 845 O MET A 56 -14.048 -0.969 -4.426 1.00 0.00 O ATOM 846 CB MET A 56 -14.583 -3.763 -3.017 1.00 0.00 C ATOM 847 CG MET A 56 -15.465 -4.624 -2.110 1.00 0.00 C ATOM 848 SD MET A 56 -16.088 -3.643 -0.755 1.00 0.00 S ATOM 849 CE MET A 56 -16.496 -4.939 0.403 1.00 0.00 C ATOM 0 H MET A 56 -16.228 -4.683 -4.577 1.00 0.00 H new ATOM 0 HA MET A 56 -16.023 -2.178 -3.303 1.00 0.00 H new ATOM 0 HB2 MET A 56 -13.953 -4.405 -3.633 1.00 0.00 H new ATOM 0 HB3 MET A 56 -13.916 -3.152 -2.408 1.00 0.00 H new ATOM 0 HG2 MET A 56 -16.295 -5.037 -2.682 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.892 -5.468 -1.726 1.00 0.00 H new ATOM 0 HE1 MET A 56 -16.420 -4.555 1.420 1.00 0.00 H new ATOM 0 HE2 MET A 56 -17.514 -5.283 0.220 1.00 0.00 H new ATOM 0 HE3 MET A 56 -15.804 -5.771 0.276 1.00 0.00 H new ATOM 859 N LYS A 57 -14.298 -2.556 -6.017 1.00 0.00 N ATOM 860 CA LYS A 57 -13.449 -1.879 -6.983 1.00 0.00 C ATOM 861 C LYS A 57 -14.077 -0.533 -7.352 1.00 0.00 C ATOM 862 O LYS A 57 -13.377 0.473 -7.460 1.00 0.00 O ATOM 863 CB LYS A 57 -13.181 -2.784 -8.188 1.00 0.00 C ATOM 864 CG LYS A 57 -12.283 -3.960 -7.801 1.00 0.00 C ATOM 865 CD LYS A 57 -12.062 -4.896 -8.991 1.00 0.00 C ATOM 866 CE LYS A 57 -11.707 -6.308 -8.520 1.00 0.00 C ATOM 867 NZ LYS A 57 -12.777 -7.261 -8.890 1.00 0.00 N ATOM 0 H LYS A 57 -14.691 -3.440 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.472 -1.667 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.125 -3.158 -8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.708 -2.207 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.323 -3.587 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.736 -4.513 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.963 -4.929 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.262 -4.507 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.763 -6.620 -8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.565 -6.313 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.521 -8.215 -8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.670 -6.970 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.893 -7.269 -9.923 1.00 0.00 H new ATOM 881 N MET A 58 -15.388 -0.559 -7.536 1.00 0.00 N ATOM 882 CA MET A 58 -16.118 0.647 -7.890 1.00 0.00 C ATOM 883 C MET A 58 -16.289 1.562 -6.676 1.00 0.00 C ATOM 884 O MET A 58 -15.932 2.738 -6.725 1.00 0.00 O ATOM 885 CB MET A 58 -17.494 0.268 -8.442 1.00 0.00 C ATOM 886 CG MET A 58 -17.362 -0.559 -9.723 1.00 0.00 C ATOM 887 SD MET A 58 -16.705 0.453 -11.038 1.00 0.00 S ATOM 888 CE MET A 58 -18.114 1.500 -11.357 1.00 0.00 C ATOM 0 H MET A 58 -15.964 -1.396 -7.447 1.00 0.00 H new ATOM 0 HA MET A 58 -15.548 1.184 -8.648 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.046 -0.300 -7.693 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.070 1.171 -8.645 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.707 -1.413 -9.549 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.335 -0.957 -10.011 1.00 0.00 H new ATOM 0 HE1 MET A 58 -18.079 1.853 -12.388 1.00 0.00 H new ATOM 0 HE2 MET A 58 -19.032 0.933 -11.199 1.00 0.00 H new ATOM 0 HE3 MET A 58 -18.094 2.354 -10.680 1.00 0.00 H new ATOM 898 N ARG A 59 -16.836 0.987 -5.615 1.00 0.00 N ATOM 899 CA ARG A 59 -17.059 1.735 -4.390 1.00 0.00 C ATOM 900 C ARG A 59 -15.826 2.575 -4.049 1.00 0.00 C ATOM 901 O ARG A 59 -15.948 3.747 -3.694 1.00 0.00 O ATOM 902 CB ARG A 59 -17.368 0.799 -3.220 1.00 0.00 C ATOM 903 CG ARG A 59 -18.659 0.016 -3.471 1.00 0.00 C ATOM 904 CD ARG A 59 -18.956 -0.937 -2.312 1.00 0.00 C ATOM 905 NE ARG A 59 -20.341 -1.448 -2.419 1.00 0.00 N ATOM 906 CZ ARG A 59 -20.865 -2.376 -1.606 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.122 -2.900 -0.622 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.131 -2.780 -1.778 1.00 0.00 N ATOM 0 H ARG A 59 -17.131 0.011 -5.579 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.916 2.389 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.540 0.105 -3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.462 1.378 -2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.490 0.709 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.571 -0.550 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.251 -1.768 -2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.823 -0.420 -1.362 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.934 -1.070 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.158 -2.593 -0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.520 -3.606 -0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.696 -2.381 -2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.530 -3.486 -1.159 1.00 0.00 H new ATOM 922 N ALA A 60 -14.668 1.944 -4.169 1.00 0.00 N ATOM 923 CA ALA A 60 -13.414 2.618 -3.878 1.00 0.00 C ATOM 924 C ALA A 60 -13.230 3.785 -4.851 1.00 0.00 C ATOM 925 O ALA A 60 -12.939 4.905 -4.435 1.00 0.00 O ATOM 926 CB ALA A 60 -12.264 1.612 -3.950 1.00 0.00 C ATOM 0 H ALA A 60 -14.571 0.972 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.424 3.029 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.324 2.118 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.428 0.819 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.220 1.181 -4.950 1.00 0.00 H new ATOM 932 N LYS A 61 -13.407 3.482 -6.129 1.00 0.00 N ATOM 933 CA LYS A 61 -13.264 4.491 -7.164 1.00 0.00 C ATOM 934 C LYS A 61 -14.186 5.671 -6.850 1.00 0.00 C ATOM 935 O LYS A 61 -13.733 6.813 -6.772 1.00 0.00 O ATOM 936 CB LYS A 61 -13.500 3.878 -8.546 1.00 0.00 C ATOM 937 CG LYS A 61 -13.122 4.863 -9.654 1.00 0.00 C ATOM 938 CD LYS A 61 -14.254 5.001 -10.674 1.00 0.00 C ATOM 939 CE LYS A 61 -13.747 5.628 -11.974 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.546 6.826 -12.318 1.00 0.00 N ATOM 0 H LYS A 61 -13.648 2.552 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.245 4.877 -7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.912 2.966 -8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.548 3.595 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.899 5.837 -9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.216 4.522 -10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.683 4.021 -10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.052 5.616 -10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.697 5.902 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.806 4.900 -12.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.189 7.239 -13.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.543 6.555 -12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.469 7.526 -11.553 1.00 0.00 H new ATOM 954 N GLN A 62 -15.461 5.356 -6.679 1.00 0.00 N ATOM 955 CA GLN A 62 -16.450 6.377 -6.375 1.00 0.00 C ATOM 956 C GLN A 62 -15.990 7.225 -5.188 1.00 0.00 C ATOM 957 O GLN A 62 -16.192 8.438 -5.171 1.00 0.00 O ATOM 958 CB GLN A 62 -17.819 5.750 -6.104 1.00 0.00 C ATOM 959 CG GLN A 62 -18.517 5.371 -7.411 1.00 0.00 C ATOM 960 CD GLN A 62 -18.928 6.619 -8.196 1.00 0.00 C ATOM 961 OE1 GLN A 62 -18.277 7.031 -9.141 1.00 0.00 O ATOM 962 NE2 GLN A 62 -20.042 7.194 -7.751 1.00 0.00 N ATOM 0 H GLN A 62 -15.833 4.408 -6.745 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.551 7.028 -7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.700 4.864 -5.481 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.440 6.451 -5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.851 4.758 -8.018 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.398 4.767 -7.195 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.538 6.796 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -20.400 8.033 -8.207 1.00 0.00 H new ATOM 971 N LEU A 63 -15.380 6.553 -4.222 1.00 0.00 N ATOM 972 CA LEU A 63 -14.890 7.229 -3.034 1.00 0.00 C ATOM 973 C LEU A 63 -13.707 8.124 -3.412 1.00 0.00 C ATOM 974 O LEU A 63 -13.603 9.255 -2.939 1.00 0.00 O ATOM 975 CB LEU A 63 -14.566 6.215 -1.935 1.00 0.00 C ATOM 976 CG LEU A 63 -13.762 6.747 -0.747 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.583 7.751 0.065 1.00 0.00 C ATOM 978 CD2 LEU A 63 -13.240 5.599 0.120 1.00 0.00 C ATOM 0 H LEU A 63 -15.214 5.547 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.662 7.878 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.503 5.805 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -14.013 5.389 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.893 7.279 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.988 8.114 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.863 8.591 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.483 7.265 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.672 6.005 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.081 5.018 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.595 4.956 -0.478 1.00 0.00 H new ATOM 990 N LEU A 64 -12.846 7.584 -4.262 1.00 0.00 N ATOM 991 CA LEU A 64 -11.675 8.319 -4.709 1.00 0.00 C ATOM 992 C LEU A 64 -12.122 9.527 -5.535 1.00 0.00 C ATOM 993 O LEU A 64 -11.583 10.622 -5.381 1.00 0.00 O ATOM 994 CB LEU A 64 -10.711 7.391 -5.450 1.00 0.00 C ATOM 995 CG LEU A 64 -9.829 6.501 -4.572 1.00 0.00 C ATOM 996 CD1 LEU A 64 -10.215 6.630 -3.098 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.869 5.048 -5.050 1.00 0.00 C ATOM 0 H LEU A 64 -12.936 6.646 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.118 8.704 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.292 6.751 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.064 8.000 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.798 6.843 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.573 5.987 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.093 7.665 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.255 6.330 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.234 4.437 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.893 4.678 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.508 4.993 -6.077 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.103 9.288 -6.393 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.628 10.343 -7.243 1.00 0.00 C ATOM 1011 C VAL A 65 -14.093 11.511 -6.370 1.00 0.00 C ATOM 1012 O VAL A 65 -13.619 12.635 -6.527 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.737 9.789 -8.140 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.172 10.826 -9.177 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.297 8.488 -8.815 1.00 0.00 C ATOM 0 H VAL A 65 -13.548 8.379 -6.518 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.850 10.722 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.598 9.565 -7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.961 10.407 -9.802 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.545 11.715 -8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.320 11.096 -9.801 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -15.103 8.115 -9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.414 8.676 -9.426 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -14.060 7.745 -8.053 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.015 11.205 -5.469 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.549 12.215 -4.572 1.00 0.00 C ATOM 1027 C ALA A 66 -14.401 12.847 -3.782 1.00 0.00 C ATOM 1028 O ALA A 66 -14.303 14.070 -3.695 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.604 11.583 -3.662 1.00 0.00 C ATOM 0 H ALA A 66 -15.406 10.272 -5.341 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.038 13.009 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.005 12.341 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.411 11.174 -4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.149 10.783 -3.078 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.562 11.986 -3.227 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.424 12.445 -2.448 1.00 0.00 C ATOM 1037 C TRP A 67 -11.503 13.237 -3.378 1.00 0.00 C ATOM 1038 O TRP A 67 -10.665 14.010 -2.916 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.719 11.272 -1.764 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.374 11.637 -1.133 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.138 12.068 0.114 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.082 11.586 -1.772 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.793 12.297 0.324 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.131 11.995 -0.860 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.728 11.207 -3.079 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.764 12.064 -1.155 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.358 11.282 -3.359 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.388 11.691 -2.452 1.00 0.00 C ATOM 0 H TRP A 67 -13.647 10.972 -3.301 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.749 13.100 -1.640 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.374 10.868 -0.991 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.562 10.479 -2.495 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.904 12.217 0.861 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.364 12.627 1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.455 10.884 -3.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.039 12.387 -0.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.032 11.002 -4.350 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.349 11.721 -2.746 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.689 13.017 -4.671 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.885 13.700 -5.670 1.00 0.00 C ATOM 1061 C GLN A 68 -11.588 14.978 -6.133 1.00 0.00 C ATOM 1062 O GLN A 68 -10.937 15.923 -6.577 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.583 12.780 -6.854 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.756 13.507 -7.917 1.00 0.00 C ATOM 1065 CD GLN A 68 -8.546 14.202 -7.289 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -8.664 15.178 -6.567 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -7.380 13.647 -7.605 1.00 0.00 N ATOM 0 H GLN A 68 -12.385 12.375 -5.050 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.933 13.976 -5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.042 11.900 -6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.517 12.428 -7.293 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.420 12.795 -8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.378 14.242 -8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.353 12.830 -8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.513 14.038 -7.237 1.00 0.00 H new ATOM 1076 N ASP A 69 -12.907 14.965 -6.015 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.705 16.111 -6.417 1.00 0.00 C ATOM 1078 C ASP A 69 -13.824 17.082 -5.240 1.00 0.00 C ATOM 1079 O ASP A 69 -13.853 18.297 -5.434 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.117 15.684 -6.822 1.00 0.00 C ATOM 1081 CG ASP A 69 -15.486 15.969 -8.279 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -15.531 17.168 -8.630 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -15.715 14.981 -9.010 1.00 0.00 O ATOM 0 H ASP A 69 -13.443 14.179 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.213 16.583 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.224 14.615 -6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.833 16.191 -6.176 1.00 0.00 H new ATOM 1088 N GLN A 70 -13.890 16.511 -4.047 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.005 17.310 -2.839 1.00 0.00 C ATOM 1090 C GLN A 70 -12.681 18.019 -2.544 1.00 0.00 C ATOM 1091 O GLN A 70 -12.664 19.215 -2.258 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.443 16.451 -1.652 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.270 15.638 -1.100 1.00 0.00 C ATOM 1094 CD GLN A 70 -13.732 14.690 0.007 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -14.907 14.398 0.160 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -12.746 14.226 0.770 1.00 0.00 N ATOM 0 H GLN A 70 -13.866 15.503 -3.891 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.773 18.067 -2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -14.849 17.089 -0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.243 15.778 -1.961 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.809 15.065 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.507 16.312 -0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.783 14.510 0.588 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.953 13.586 1.537 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.605 17.251 -2.624 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.280 17.790 -2.369 1.00 0.00 C ATOM 1107 C GLU A 71 -9.780 18.569 -3.587 1.00 0.00 C ATOM 1108 O GLU A 71 -8.661 19.079 -3.586 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.299 16.679 -1.989 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.495 16.248 -0.534 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.733 17.173 0.418 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -9.179 18.331 0.563 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -7.722 16.699 0.980 1.00 0.00 O ATOM 0 H GLU A 71 -11.623 16.259 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.345 18.476 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.441 15.822 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.276 17.027 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.557 16.260 -0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.149 15.222 -0.405 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.635 18.638 -4.597 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.295 19.347 -5.819 1.00 0.00 C ATOM 1122 C GLY A 72 -8.941 18.884 -6.362 1.00 0.00 C ATOM 1123 O GLY A 72 -8.736 17.694 -6.595 1.00 0.00 O ATOM 0 H GLY A 72 -11.563 18.214 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.068 19.179 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.266 20.419 -5.626 1.00 0.00 H new ATOM 1127 N VAL A 73 -8.053 19.849 -6.548 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.725 19.556 -7.060 1.00 0.00 C ATOM 1129 C VAL A 73 -5.749 19.429 -5.889 1.00 0.00 C ATOM 1130 O VAL A 73 -4.577 19.784 -6.011 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.308 20.622 -8.074 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -5.851 21.901 -7.369 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.219 20.093 -9.009 1.00 0.00 C ATOM 0 H VAL A 73 -8.227 20.835 -6.353 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.721 18.604 -7.591 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.180 20.867 -8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.560 22.642 -8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.668 22.295 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.999 21.678 -6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.941 20.871 -9.720 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.345 19.806 -8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.594 19.224 -9.550 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.267 18.923 -4.779 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.455 18.746 -3.587 1.00 0.00 C ATOM 1145 C HIS A 74 -5.336 17.255 -3.265 1.00 0.00 C ATOM 1146 O HIS A 74 -4.484 16.853 -2.474 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.017 19.561 -2.421 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.256 21.016 -2.748 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -6.760 21.606 -3.870 1.00 0.00 N flip ATOM 1150 CD2 HIS A 74 -5.966 22.040 -1.864 1.00 0.00 C flip ATOM 1151 CE1 HIS A 74 -6.777 22.920 -3.681 1.00 0.00 C flip ATOM 1152 NE2 HIS A 74 -6.285 23.191 -2.438 1.00 0.00 N flip ATOM 0 H HIS A 74 -7.239 18.630 -4.680 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.449 19.125 -3.768 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.956 19.113 -2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.327 19.497 -1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.550 21.921 -0.874 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -7.123 23.654 -4.394 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.181 24.117 -2.023 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.202 16.475 -3.894 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.204 15.037 -3.685 1.00 0.00 C ATOM 1162 C ALA A 75 -4.880 14.452 -4.178 1.00 0.00 C ATOM 1163 O ALA A 75 -4.724 14.176 -5.367 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.414 14.420 -4.390 1.00 0.00 C ATOM 0 H ALA A 75 -6.908 16.812 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.292 14.804 -2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.415 13.341 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.330 14.847 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.360 14.631 -5.458 1.00 0.00 H new ATOM 1170 N THR A 76 -3.960 14.279 -3.241 1.00 0.00 N ATOM 1171 CA THR A 76 -2.654 13.731 -3.566 1.00 0.00 C ATOM 1172 C THR A 76 -2.493 12.337 -2.957 1.00 0.00 C ATOM 1173 O THR A 76 -3.265 11.945 -2.083 1.00 0.00 O ATOM 1174 CB THR A 76 -1.593 14.727 -3.093 1.00 0.00 C ATOM 1175 OG1 THR A 76 -2.051 15.138 -1.808 1.00 0.00 O ATOM 1176 CG2 THR A 76 -1.590 16.016 -3.918 1.00 0.00 C ATOM 0 H THR A 76 -4.093 14.509 -2.256 1.00 0.00 H new ATOM 0 HA THR A 76 -2.538 13.596 -4.641 1.00 0.00 H new ATOM 0 HB THR A 76 -0.609 14.261 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.624 15.927 -1.902 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.819 16.688 -3.541 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.386 15.779 -4.962 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.563 16.500 -3.840 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.459 11.607 -3.455 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.188 10.265 -2.969 1.00 0.00 C ATOM 1186 C PRO A 77 -0.538 10.304 -1.585 1.00 0.00 C ATOM 1187 O PRO A 77 -0.634 9.344 -0.823 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.295 9.637 -4.027 1.00 0.00 C ATOM 1189 CG PRO A 77 0.278 10.794 -4.829 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.525 12.039 -4.490 1.00 0.00 C ATOM 0 HA PRO A 77 -2.095 9.676 -2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.500 9.048 -3.568 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.863 8.962 -4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.331 10.941 -4.588 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.222 10.583 -5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.120 12.841 -4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.052 12.421 -5.365 1.00 0.00 H new ATOM 1198 N GLU A 78 0.109 11.425 -1.301 1.00 0.00 N ATOM 1199 CA GLU A 78 0.774 11.602 -0.022 1.00 0.00 C ATOM 1200 C GLU A 78 -0.256 11.835 1.085 1.00 0.00 C ATOM 1201 O GLU A 78 -0.159 11.248 2.162 1.00 0.00 O ATOM 1202 CB GLU A 78 1.782 12.752 -0.082 1.00 0.00 C ATOM 1203 CG GLU A 78 3.029 12.432 0.745 1.00 0.00 C ATOM 1204 CD GLU A 78 3.363 13.580 1.699 1.00 0.00 C ATOM 1205 OE1 GLU A 78 2.540 13.820 2.609 1.00 0.00 O ATOM 1206 OE2 GLU A 78 4.435 14.192 1.498 1.00 0.00 O ATOM 0 H GLU A 78 0.187 12.220 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 78 1.325 10.690 0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.066 12.938 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.319 13.666 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.867 11.517 1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.873 12.249 0.081 1.00 0.00 H new ATOM 1213 N ASN A 79 -1.221 12.691 0.782 1.00 0.00 N ATOM 1214 CA ASN A 79 -2.268 13.008 1.737 1.00 0.00 C ATOM 1215 C ASN A 79 -3.180 11.791 1.909 1.00 0.00 C ATOM 1216 O ASN A 79 -3.838 11.645 2.939 1.00 0.00 O ATOM 1217 CB ASN A 79 -3.126 14.176 1.247 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.307 15.467 1.180 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -2.802 16.378 0.347 1.00 0.00 O flip ATOM 1220 ND2 ASN A 79 -1.294 15.625 1.841 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.299 13.175 -0.112 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.793 13.280 2.680 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.531 13.946 0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.975 14.314 1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.969 14.884 2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.772 16.499 1.773 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.191 10.950 0.886 1.00 0.00 N ATOM 1228 CA LEU A 80 -4.011 9.751 0.911 1.00 0.00 C ATOM 1229 C LEU A 80 -3.217 8.608 1.546 1.00 0.00 C ATOM 1230 O LEU A 80 -3.729 7.894 2.407 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.536 9.431 -0.490 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.492 8.241 -0.593 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.769 8.492 0.211 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -5.791 7.903 -2.054 1.00 0.00 C ATOM 0 H LEU A 80 -2.645 11.075 0.034 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.895 9.907 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.044 10.314 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.683 9.244 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.003 7.371 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.431 7.631 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.514 8.646 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.273 9.379 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.473 7.054 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.251 8.764 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.863 7.650 -2.566 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.978 8.469 1.096 1.00 0.00 N ATOM 1247 CA ILE A 81 -1.108 7.425 1.610 1.00 0.00 C ATOM 1248 C ILE A 81 -0.982 7.572 3.127 1.00 0.00 C ATOM 1249 O ILE A 81 -1.052 6.586 3.858 1.00 0.00 O ATOM 1250 CB ILE A 81 0.235 7.438 0.877 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.096 6.863 -0.534 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.310 6.712 1.688 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.251 7.317 -1.428 1.00 0.00 C ATOM 0 H ILE A 81 -1.556 9.062 0.381 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.539 6.442 1.420 1.00 0.00 H new ATOM 0 HB ILE A 81 0.556 8.474 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.075 5.774 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.852 7.181 -0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.254 6.736 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.434 7.205 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.009 5.676 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.127 6.894 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.255 8.405 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.195 6.976 -1.004 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.798 8.812 3.556 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.661 9.102 4.973 1.00 0.00 C ATOM 1267 C ASN A 82 -1.816 8.450 5.736 1.00 0.00 C ATOM 1268 O ASN A 82 -1.602 7.797 6.756 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.712 10.608 5.236 1.00 0.00 C ATOM 1270 CG ASN A 82 0.661 11.138 5.655 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.646 10.419 5.698 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.671 12.432 5.962 1.00 0.00 N ATOM 0 H ASN A 82 -0.741 9.628 2.947 1.00 0.00 H new ATOM 0 HA ASN A 82 0.301 8.711 5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.047 11.127 4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.442 10.820 6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.539 12.880 6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.190 12.976 5.905 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.017 8.650 5.212 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.206 8.091 5.831 1.00 0.00 C ATOM 1281 C ALA A 83 -4.102 6.564 5.839 1.00 0.00 C ATOM 1282 O ALA A 83 -4.276 5.932 6.879 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.449 8.586 5.089 1.00 0.00 C ATOM 0 H ALA A 83 -3.191 9.192 4.365 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.291 8.422 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.341 8.166 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.492 9.674 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.400 8.271 4.047 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.817 6.017 4.666 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.688 4.576 4.525 1.00 0.00 C ATOM 1291 C LEU A 84 -2.835 4.030 5.672 1.00 0.00 C ATOM 1292 O LEU A 84 -3.173 3.011 6.271 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.152 4.220 3.137 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.114 4.444 1.968 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.349 4.692 0.667 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.101 3.281 1.841 1.00 0.00 C ATOM 0 H LEU A 84 -3.672 6.545 3.805 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.664 4.097 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.250 4.805 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.856 3.171 3.142 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.698 5.341 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.057 4.848 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.722 5.576 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.723 3.828 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.774 3.464 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.552 2.355 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.681 3.194 2.760 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.745 4.734 5.943 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.841 4.332 7.008 1.00 0.00 C ATOM 1310 C ASN A 85 -1.638 4.132 8.298 1.00 0.00 C ATOM 1311 O ASN A 85 -1.785 3.006 8.773 1.00 0.00 O ATOM 1312 CB ASN A 85 0.216 5.407 7.267 1.00 0.00 C ATOM 1313 CG ASN A 85 1.622 4.874 6.981 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.215 4.159 7.772 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.119 5.261 5.810 1.00 0.00 N ATOM 0 H ASN A 85 -1.468 5.579 5.444 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.349 3.408 6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.018 6.276 6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.154 5.741 8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.051 4.958 5.526 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.568 5.860 5.195 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.131 5.241 8.830 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.908 5.201 10.057 1.00 0.00 C ATOM 1324 C LYS A 86 -4.086 4.240 9.879 1.00 0.00 C ATOM 1325 O LYS A 86 -4.477 3.550 10.819 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.325 6.613 10.474 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.117 7.301 9.361 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.522 8.718 9.772 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.684 8.689 10.767 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.629 9.866 11.663 1.00 0.00 N ATOM 0 H LYS A 86 -2.007 6.173 8.434 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.303 4.816 10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.930 6.565 11.380 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.440 7.202 10.713 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.516 7.340 8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.008 6.717 9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.669 9.229 10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.809 9.289 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.632 8.679 10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.643 7.773 11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.425 9.831 12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.733 9.859 12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.691 10.736 11.097 1.00 0.00 H new ATOM 1344 N SER A 87 -4.617 4.225 8.665 1.00 0.00 N ATOM 1345 CA SER A 87 -5.742 3.360 8.351 1.00 0.00 C ATOM 1346 C SER A 87 -5.308 1.894 8.414 1.00 0.00 C ATOM 1347 O SER A 87 -6.143 0.993 8.349 1.00 0.00 O ATOM 1348 CB SER A 87 -6.318 3.685 6.971 1.00 0.00 C ATOM 1349 OG SER A 87 -5.796 2.827 5.960 1.00 0.00 O ATOM 0 H SER A 87 -4.289 4.798 7.887 1.00 0.00 H new ATOM 0 HA SER A 87 -6.524 3.533 9.091 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.404 3.593 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.093 4.721 6.719 1.00 0.00 H new ATOM 0 HG SER A 87 -4.826 2.745 6.069 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.003 1.701 8.539 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.449 0.360 8.611 1.00 0.00 C ATOM 1357 C GLY A 88 -3.456 -0.311 7.236 1.00 0.00 C ATOM 1358 O GLY A 88 -3.527 -1.535 7.139 1.00 0.00 O ATOM 0 H GLY A 88 -3.314 2.451 8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.429 0.404 8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.027 -0.239 9.315 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.381 0.521 6.207 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.377 0.023 4.842 1.00 0.00 C ATOM 1364 C LEU A 89 -1.969 0.155 4.259 1.00 0.00 C ATOM 1365 O LEU A 89 -1.807 0.474 3.082 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.454 0.726 4.013 1.00 0.00 C ATOM 1367 CG LEU A 89 -5.857 0.120 4.083 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.105 -0.532 5.444 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -6.923 1.163 3.743 1.00 0.00 C ATOM 0 H LEU A 89 -3.323 1.536 6.291 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.632 -1.037 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.512 1.765 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.135 0.734 2.971 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.927 -0.667 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.109 -0.955 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.374 -1.324 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.009 0.218 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.911 0.706 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.864 1.989 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.755 1.539 2.734 1.00 0.00 H new ATOM 1381 N SER A 90 -0.985 -0.097 5.110 1.00 0.00 N ATOM 1382 CA SER A 90 0.405 -0.010 4.694 1.00 0.00 C ATOM 1383 C SER A 90 0.560 -0.550 3.271 1.00 0.00 C ATOM 1384 O SER A 90 1.343 -0.020 2.484 1.00 0.00 O ATOM 1385 CB SER A 90 1.316 -0.777 5.654 1.00 0.00 C ATOM 1386 OG SER A 90 0.893 -2.126 5.829 1.00 0.00 O ATOM 0 H SER A 90 -1.123 -0.361 6.085 1.00 0.00 H new ATOM 0 HA SER A 90 0.703 1.038 4.713 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.337 -0.764 5.273 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.330 -0.273 6.621 1.00 0.00 H new ATOM 0 HG SER A 90 1.501 -2.582 6.447 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.199 -1.598 2.983 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.156 -2.215 1.669 1.00 0.00 C ATOM 1394 C ASP A 91 -0.373 -1.143 0.599 1.00 0.00 C ATOM 1395 O ASP A 91 0.530 -0.852 -0.185 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.259 -3.265 1.517 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.107 -4.192 0.310 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -1.172 -3.666 -0.822 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -0.928 -5.407 0.546 1.00 0.00 O ATOM 0 H ASP A 91 -0.847 -2.035 3.638 1.00 0.00 H new ATOM 0 HA ASP A 91 0.816 -2.694 1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.288 -3.873 2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.219 -2.754 1.445 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.574 -0.585 0.601 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.921 0.449 -0.359 1.00 0.00 C ATOM 1406 C LEU A 92 -0.822 1.514 -0.374 1.00 0.00 C ATOM 1407 O LEU A 92 -0.199 1.753 -1.408 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.315 1.007 -0.066 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.466 0.389 -0.862 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.773 1.215 -2.112 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.176 -1.075 -1.199 1.00 0.00 C ATOM 0 H LEU A 92 -2.320 -0.829 1.253 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.976 0.032 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.522 0.875 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.303 2.080 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.360 0.404 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.595 0.754 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.054 2.227 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.889 1.254 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.010 -1.490 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.266 -1.138 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.045 -1.642 -0.277 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.618 2.125 0.784 1.00 0.00 N ATOM 1424 CA ALA A 93 0.394 3.159 0.916 1.00 0.00 C ATOM 1425 C ALA A 93 1.632 2.761 0.110 1.00 0.00 C ATOM 1426 O ALA A 93 2.081 3.511 -0.755 1.00 0.00 O ATOM 1427 CB ALA A 93 0.709 3.378 2.397 1.00 0.00 C ATOM 0 H ALA A 93 -1.136 1.924 1.639 1.00 0.00 H new ATOM 0 HA ALA A 93 0.030 4.105 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.468 4.154 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.196 3.687 2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.080 2.450 2.831 1.00 0.00 H new ATOM 1433 N GLU A 94 2.148 1.581 0.422 1.00 0.00 N ATOM 1434 CA GLU A 94 3.325 1.074 -0.263 1.00 0.00 C ATOM 1435 C GLU A 94 3.021 0.851 -1.746 1.00 0.00 C ATOM 1436 O GLU A 94 3.856 1.134 -2.604 1.00 0.00 O ATOM 1437 CB GLU A 94 3.830 -0.212 0.393 1.00 0.00 C ATOM 1438 CG GLU A 94 4.871 0.095 1.471 1.00 0.00 C ATOM 1439 CD GLU A 94 6.186 -0.634 1.188 1.00 0.00 C ATOM 1440 OE1 GLU A 94 6.208 -1.867 1.397 1.00 0.00 O ATOM 1441 OE2 GLU A 94 7.139 0.057 0.768 1.00 0.00 O ATOM 0 H GLU A 94 1.772 0.961 1.140 1.00 0.00 H new ATOM 0 HA GLU A 94 4.117 1.818 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.993 -0.752 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.266 -0.864 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.049 1.170 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.488 -0.204 2.447 1.00 0.00 H new ATOM 1448 N SER A 95 1.824 0.344 -2.002 1.00 0.00 N ATOM 1449 CA SER A 95 1.400 0.079 -3.366 1.00 0.00 C ATOM 1450 C SER A 95 1.553 1.341 -4.217 1.00 0.00 C ATOM 1451 O SER A 95 2.194 1.313 -5.266 1.00 0.00 O ATOM 1452 CB SER A 95 -0.048 -0.415 -3.407 1.00 0.00 C ATOM 1453 OG SER A 95 -0.205 -1.664 -2.738 1.00 0.00 O ATOM 0 H SER A 95 1.134 0.110 -1.288 1.00 0.00 H new ATOM 0 HA SER A 95 2.036 -0.707 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.698 0.328 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.367 -0.517 -4.444 1.00 0.00 H new ATOM 0 HG SER A 95 0.113 -1.583 -1.815 1.00 0.00 H new ATOM 1459 N LEU A 96 0.955 2.419 -3.732 1.00 0.00 N ATOM 1460 CA LEU A 96 1.017 3.689 -4.435 1.00 0.00 C ATOM 1461 C LEU A 96 2.479 4.116 -4.579 1.00 0.00 C ATOM 1462 O LEU A 96 2.867 4.682 -5.600 1.00 0.00 O ATOM 1463 CB LEU A 96 0.139 4.731 -3.739 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.370 4.577 -3.940 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.761 4.848 -5.394 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.850 3.204 -3.464 1.00 0.00 C ATOM 0 H LEU A 96 0.425 2.439 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 96 0.613 3.586 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.349 4.698 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.434 5.719 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.873 5.325 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.839 4.732 -5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.475 5.864 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.248 4.141 -6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.926 3.121 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.341 2.424 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.625 3.088 -2.404 1.00 0.00 H new ATOM 1478 N THR A 97 3.252 3.828 -3.542 1.00 0.00 N ATOM 1479 CA THR A 97 4.663 4.175 -3.540 1.00 0.00 C ATOM 1480 C THR A 97 5.503 2.993 -4.027 1.00 0.00 C ATOM 1481 O THR A 97 6.375 2.508 -3.307 1.00 0.00 O ATOM 1482 CB THR A 97 5.032 4.644 -2.132 1.00 0.00 C ATOM 1483 OG1 THR A 97 4.375 3.716 -1.273 1.00 0.00 O ATOM 1484 CG2 THR A 97 4.400 5.992 -1.778 1.00 0.00 C ATOM 0 H THR A 97 2.928 3.358 -2.697 1.00 0.00 H new ATOM 0 HA THR A 97 4.872 4.989 -4.234 1.00 0.00 H new ATOM 0 HB THR A 97 6.116 4.719 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.457 4.017 -1.107 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.694 6.278 -0.768 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.740 6.750 -2.484 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.314 5.910 -1.830 1.00 0.00 H new ATOM 1492 N ASN A 98 5.212 2.564 -5.246 1.00 0.00 N ATOM 1493 CA ASN A 98 5.930 1.448 -5.838 1.00 0.00 C ATOM 1494 C ASN A 98 5.934 1.599 -7.360 1.00 0.00 C ATOM 1495 O ASN A 98 4.897 1.870 -7.964 1.00 0.00 O ATOM 1496 CB ASN A 98 5.256 0.117 -5.497 1.00 0.00 C ATOM 1497 CG ASN A 98 6.165 -0.749 -4.622 1.00 0.00 C ATOM 1498 OD1 ASN A 98 7.229 -0.338 -4.190 1.00 0.00 O ATOM 1499 ND2 ASN A 98 5.687 -1.968 -4.386 1.00 0.00 N ATOM 0 H ASN A 98 4.489 2.969 -5.840 1.00 0.00 H new ATOM 0 HA ASN A 98 6.945 1.451 -5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.316 0.304 -4.978 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.012 -0.417 -6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.219 -2.622 -3.812 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.788 -2.248 -4.779 1.00 0.00 H new ATOM 1506 N ASP A 99 7.113 1.419 -7.938 1.00 0.00 N ATOM 1507 CA ASP A 99 7.266 1.532 -9.378 1.00 0.00 C ATOM 1508 C ASP A 99 7.253 3.010 -9.773 1.00 0.00 C ATOM 1509 O ASP A 99 6.740 3.849 -9.035 1.00 0.00 O ATOM 1510 CB ASP A 99 6.116 0.837 -10.111 1.00 0.00 C ATOM 1511 CG ASP A 99 6.545 -0.125 -11.221 1.00 0.00 C ATOM 1512 OD1 ASP A 99 6.966 0.384 -12.281 1.00 0.00 O ATOM 1513 OD2 ASP A 99 6.441 -1.348 -10.983 1.00 0.00 O ATOM 0 H ASP A 99 7.971 1.196 -7.434 1.00 0.00 H new ATOM 0 HA ASP A 99 8.208 1.059 -9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.521 0.286 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.466 1.599 -10.542 1.00 0.00 H new ATOM 1518 N ASN A 100 7.825 3.283 -10.937 1.00 0.00 N ATOM 1519 CA ASN A 100 7.886 4.645 -11.439 1.00 0.00 C ATOM 1520 C ASN A 100 8.644 5.520 -10.438 1.00 0.00 C ATOM 1521 O ASN A 100 8.094 5.910 -9.409 1.00 0.00 O ATOM 1522 CB ASN A 100 6.483 5.232 -11.612 1.00 0.00 C ATOM 1523 CG ASN A 100 5.881 4.824 -12.958 1.00 0.00 C ATOM 1524 OD1 ASN A 100 6.573 4.448 -13.889 1.00 0.00 O ATOM 1525 ND2 ASN A 100 4.555 4.920 -13.009 1.00 0.00 N ATOM 0 H ASN A 100 8.250 2.584 -11.546 1.00 0.00 H new ATOM 0 HA ASN A 100 8.391 4.626 -12.405 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.839 4.889 -10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.529 6.319 -11.544 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.058 4.671 -13.864 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.035 5.242 -12.193 1.00 0.00 H new ATOM 1532 N GLU A 101 9.893 5.802 -10.775 1.00 0.00 N ATOM 1533 CA GLU A 101 10.732 6.623 -9.919 1.00 0.00 C ATOM 1534 C GLU A 101 10.949 7.999 -10.551 1.00 0.00 C ATOM 1535 O GLU A 101 11.136 8.108 -11.762 1.00 0.00 O ATOM 1536 CB GLU A 101 12.068 5.933 -9.635 1.00 0.00 C ATOM 1537 CG GLU A 101 12.061 5.270 -8.256 1.00 0.00 C ATOM 1538 CD GLU A 101 11.916 3.752 -8.378 1.00 0.00 C ATOM 1539 OE1 GLU A 101 10.829 3.320 -8.817 1.00 0.00 O ATOM 1540 OE2 GLU A 101 12.895 3.058 -8.028 1.00 0.00 O ATOM 0 H GLU A 101 10.345 5.477 -11.630 1.00 0.00 H new ATOM 0 HA GLU A 101 10.221 6.759 -8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.264 5.184 -10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.876 6.662 -9.688 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.984 5.509 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.241 5.670 -7.660 1.00 0.00 H new ATOM 1547 N THR A 102 10.917 9.016 -9.702 1.00 0.00 N ATOM 1548 CA THR A 102 11.108 10.381 -10.162 1.00 0.00 C ATOM 1549 C THR A 102 12.278 10.454 -11.146 1.00 0.00 C ATOM 1550 O THR A 102 13.398 10.070 -10.814 1.00 0.00 O ATOM 1551 CB THR A 102 11.292 11.273 -8.933 1.00 0.00 C ATOM 1552 OG1 THR A 102 11.183 12.598 -9.446 1.00 0.00 O ATOM 1553 CG2 THR A 102 12.713 11.208 -8.370 1.00 0.00 C ATOM 0 H THR A 102 10.762 8.922 -8.698 1.00 0.00 H new ATOM 0 HA THR A 102 10.238 10.737 -10.713 1.00 0.00 H new ATOM 0 HB THR A 102 10.581 10.978 -8.161 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.289 13.242 -8.715 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.789 11.859 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.942 10.183 -8.078 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.421 11.535 -9.131 1.00 0.00 H new ATOM 1561 N ASN A 103 11.977 10.949 -12.338 1.00 0.00 N ATOM 1562 CA ASN A 103 12.989 11.076 -13.372 1.00 0.00 C ATOM 1563 C ASN A 103 12.732 12.352 -14.177 1.00 0.00 C ATOM 1564 O ASN A 103 11.786 12.416 -14.960 1.00 0.00 O ATOM 1565 CB ASN A 103 12.942 9.891 -14.338 1.00 0.00 C ATOM 1566 CG ASN A 103 14.136 9.916 -15.295 1.00 0.00 C ATOM 1567 OD1 ASN A 103 15.271 9.674 -14.919 1.00 0.00 O ATOM 1568 ND2 ASN A 103 13.817 10.220 -16.550 1.00 0.00 N ATOM 0 H ASN A 103 11.047 11.267 -12.610 1.00 0.00 H new ATOM 0 HA ASN A 103 13.964 11.107 -12.887 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.942 8.958 -13.775 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.014 9.919 -14.908 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.543 10.261 -17.265 1.00 0.00 H new ATOM 0 HD22 ASN A 103 12.846 10.412 -16.797 1.00 0.00 H new ATOM 1575 N SER A 104 13.591 13.336 -13.956 1.00 0.00 N ATOM 1576 CA SER A 104 13.468 14.607 -14.650 1.00 0.00 C ATOM 1577 C SER A 104 14.780 14.942 -15.364 1.00 0.00 C ATOM 1578 O SER A 104 15.809 15.136 -14.719 1.00 0.00 O ATOM 1579 CB SER A 104 13.089 15.729 -13.683 1.00 0.00 C ATOM 1580 OG SER A 104 11.965 15.383 -12.878 1.00 0.00 O ATOM 0 H SER A 104 14.375 13.279 -13.306 1.00 0.00 H new ATOM 0 HA SER A 104 12.672 14.517 -15.389 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.939 15.956 -13.040 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.866 16.634 -14.248 1.00 0.00 H new ATOM 0 HG SER A 104 11.755 16.125 -12.273 1.00 0.00 H new ATOM 1586 N SER A 105 14.700 14.999 -16.685 1.00 0.00 N ATOM 1587 CA SER A 105 15.868 15.307 -17.493 1.00 0.00 C ATOM 1588 C SER A 105 15.438 15.684 -18.912 1.00 0.00 C ATOM 1589 O SER A 105 14.872 14.862 -19.632 1.00 0.00 O ATOM 1590 CB SER A 105 16.840 14.127 -17.528 1.00 0.00 C ATOM 1591 OG SER A 105 18.199 14.555 -17.555 1.00 0.00 O ATOM 0 H SER A 105 13.844 14.837 -17.216 1.00 0.00 H new ATOM 0 HA SER A 105 16.384 16.154 -17.040 1.00 0.00 H new ATOM 0 HB2 SER A 105 16.676 13.496 -16.654 1.00 0.00 H new ATOM 0 HB3 SER A 105 16.635 13.515 -18.406 1.00 0.00 H new ATOM 0 HG SER A 105 18.788 13.772 -17.575 1.00 0.00 H new ATOM 1597 N GLY A 106 15.722 16.927 -19.272 1.00 0.00 N ATOM 1598 CA GLY A 106 15.372 17.422 -20.593 1.00 0.00 C ATOM 1599 C GLY A 106 15.692 18.912 -20.722 1.00 0.00 C ATOM 1600 O GLY A 106 15.890 19.598 -19.720 1.00 0.00 O ATOM 0 H GLY A 106 16.190 17.606 -18.672 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.919 16.862 -21.352 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.311 17.257 -20.778 1.00 0.00 H new ATOM 1604 N PRO A 107 15.734 19.383 -21.997 1.00 0.00 N ATOM 1605 CA PRO A 107 16.027 20.780 -22.270 1.00 0.00 C ATOM 1606 C PRO A 107 14.822 21.666 -21.946 1.00 0.00 C ATOM 1607 O PRO A 107 13.759 21.165 -21.583 1.00 0.00 O ATOM 1608 CB PRO A 107 16.416 20.820 -23.739 1.00 0.00 C ATOM 1609 CG PRO A 107 15.881 19.534 -24.348 1.00 0.00 C ATOM 1610 CD PRO A 107 15.505 18.600 -23.208 1.00 0.00 C ATOM 0 HA PRO A 107 16.832 21.171 -21.648 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.989 21.693 -24.232 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.498 20.886 -23.855 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.013 19.740 -24.975 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.633 19.072 -24.987 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.465 18.282 -23.283 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.116 17.697 -23.218 1.00 0.00 H new ATOM 1618 N SER A 108 15.029 22.966 -22.090 1.00 0.00 N ATOM 1619 CA SER A 108 13.974 23.927 -21.817 1.00 0.00 C ATOM 1620 C SER A 108 13.304 24.354 -23.125 1.00 0.00 C ATOM 1621 O SER A 108 12.098 24.182 -23.294 1.00 0.00 O ATOM 1622 CB SER A 108 14.519 25.149 -21.077 1.00 0.00 C ATOM 1623 OG SER A 108 13.545 25.729 -20.213 1.00 0.00 O ATOM 0 H SER A 108 15.912 23.377 -22.392 1.00 0.00 H new ATOM 0 HA SER A 108 13.234 23.448 -21.176 1.00 0.00 H new ATOM 0 HB2 SER A 108 15.394 24.860 -20.495 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.850 25.893 -21.801 1.00 0.00 H new ATOM 0 HG SER A 108 13.933 26.505 -19.758 1.00 0.00 H new ATOM 1629 N SER A 109 14.116 24.902 -24.017 1.00 0.00 N ATOM 1630 CA SER A 109 13.617 25.355 -25.304 1.00 0.00 C ATOM 1631 C SER A 109 13.945 24.323 -26.385 1.00 0.00 C ATOM 1632 O SER A 109 15.111 23.992 -26.599 1.00 0.00 O ATOM 1633 CB SER A 109 14.207 26.717 -25.675 1.00 0.00 C ATOM 1634 OG SER A 109 15.537 26.606 -26.173 1.00 0.00 O ATOM 0 H SER A 109 15.116 25.042 -23.874 1.00 0.00 H new ATOM 0 HA SER A 109 12.535 25.465 -25.232 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.577 27.192 -26.427 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.201 27.365 -24.799 1.00 0.00 H new ATOM 0 HG SER A 109 15.777 25.660 -26.258 1.00 0.00 H new ATOM 1640 N GLY A 110 12.897 23.843 -27.038 1.00 0.00 N ATOM 1641 CA GLY A 110 13.059 22.856 -28.092 1.00 0.00 C ATOM 1642 C GLY A 110 11.753 22.659 -28.864 1.00 0.00 C ATOM 1643 O GLY A 110 11.525 23.312 -29.882 1.00 0.00 O ATOM 0 H GLY A 110 11.932 24.119 -26.857 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.845 23.175 -28.776 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.377 21.907 -27.661 1.00 0.00 H new TER 1647 GLY A 110