USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 799 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 58 ASN : amide:sc= -0.423 X(o=-1.7,f=-1.2) USER MOD Set 1.2: A 76 GLN : amide:sc= -1.24! C(o=-1.7!,f=-2.8!) USER MOD Set 2.1: A 51 THR OG1 : rot -25:sc= 1.76 USER MOD Set 2.2: A 52 HIS : no HE2:sc= 0.17 K(o=1.9,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0387 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= -0.054 (180deg=-0.317) USER MOD Single : A 14 GLN : amide:sc= -0.578 K(o=-0.58,f=-3.1!) USER MOD Single : A 16 CYS SG : rot 69:sc= 1.31 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 160:sc=-0.00462 (180deg=-0.466) USER MOD Single : A 29 HIS : no HD1:sc= -0.439 K(o=-0.44,f=-0.98) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -139:sc= -7.06! (180deg=-13.5!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -162:sc= -0.0189 (180deg=-0.307) USER MOD Single : A 38 GLN : amide:sc= -1.3 K(o=-1.3,f=-1.8!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 99:sc= 0.316 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00637 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.136) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0899 USER MOD Single : A 84 GLN : amide:sc= -0.0831 K(o=-0.083,f=-2) USER MOD Single : A 85 MET CE :methyl -172:sc= -6.77! (180deg=-7.52!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc=-0.00502 (180deg=-0.00502) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -52:sc= 0.156 USER MOD Single : A 98 LYS NZ :NH3+ -154:sc= 0.0755 (180deg=-0.0219) USER MOD Single : A 100 ASN : amide:sc= 0.221 K(o=0.22,f=-1.8!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -13:sc= 0.459 USER MOD Single : A 108 SER OG : rot 49:sc= 0.854 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.398 36.322 -12.997 1.00 0.00 N ATOM 2 CA GLY A 1 -11.533 35.688 -12.019 1.00 0.00 C ATOM 3 C GLY A 1 -10.089 35.625 -12.476 1.00 0.00 C ATOM 4 O GLY A 1 -9.811 35.581 -13.674 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.736 37.232 -12.624 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.867 36.484 -13.877 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.212 35.705 -13.193 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.590 36.237 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.893 34.678 -11.821 1.00 0.00 H new ATOM 8 N SER A 2 -9.167 35.622 -11.519 1.00 0.00 N ATOM 9 CA SER A 2 -7.743 35.570 -11.829 1.00 0.00 C ATOM 10 C SER A 2 -7.409 34.322 -12.640 1.00 0.00 C ATOM 11 O SER A 2 -7.615 33.198 -12.183 1.00 0.00 O ATOM 12 CB SER A 2 -6.917 35.592 -10.541 1.00 0.00 C ATOM 13 OG SER A 2 -5.530 35.542 -10.824 1.00 0.00 O ATOM 0 H SER A 2 -9.381 35.655 -10.522 1.00 0.00 H new ATOM 0 HA SER A 2 -7.494 36.447 -12.426 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.144 36.496 -9.975 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.194 34.745 -9.913 1.00 0.00 H new ATOM 0 HG SER A 2 -5.024 35.559 -9.985 1.00 0.00 H new ATOM 19 N SER A 3 -6.892 34.529 -13.847 1.00 0.00 N ATOM 20 CA SER A 3 -6.532 33.421 -14.724 1.00 0.00 C ATOM 21 C SER A 3 -5.311 32.678 -14.190 1.00 0.00 C ATOM 22 O SER A 3 -4.174 33.089 -14.415 1.00 0.00 O ATOM 23 CB SER A 3 -6.253 33.933 -16.139 1.00 0.00 C ATOM 24 OG SER A 3 -7.459 34.133 -16.856 1.00 0.00 O ATOM 0 H SER A 3 -6.713 35.453 -14.240 1.00 0.00 H new ATOM 0 HA SER A 3 -7.372 32.727 -14.755 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.697 34.869 -16.087 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.625 33.218 -16.670 1.00 0.00 H new ATOM 0 HG SER A 3 -7.254 34.462 -17.756 1.00 0.00 H new ATOM 30 N GLY A 4 -5.558 31.582 -13.480 1.00 0.00 N ATOM 31 CA GLY A 4 -4.470 30.798 -12.923 1.00 0.00 C ATOM 32 C GLY A 4 -4.882 30.035 -11.680 1.00 0.00 C ATOM 33 O GLY A 4 -5.358 30.626 -10.710 1.00 0.00 O ATOM 0 H GLY A 4 -6.491 31.223 -13.280 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.111 30.095 -13.675 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.637 31.458 -12.681 1.00 0.00 H new ATOM 37 N SER A 5 -4.700 28.719 -11.708 1.00 0.00 N ATOM 38 CA SER A 5 -5.061 27.873 -10.576 1.00 0.00 C ATOM 39 C SER A 5 -3.815 27.336 -9.880 1.00 0.00 C ATOM 40 O SER A 5 -2.956 26.719 -10.509 1.00 0.00 O ATOM 41 CB SER A 5 -5.940 26.710 -11.042 1.00 0.00 C ATOM 42 OG SER A 5 -6.517 26.034 -9.938 1.00 0.00 O ATOM 0 H SER A 5 -4.305 28.215 -12.502 1.00 0.00 H new ATOM 0 HA SER A 5 -5.620 28.480 -9.864 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.728 27.084 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.344 26.012 -11.629 1.00 0.00 H new ATOM 0 HG SER A 5 -7.075 25.296 -10.261 1.00 0.00 H new ATOM 48 N SER A 6 -3.723 27.576 -8.576 1.00 0.00 N ATOM 49 CA SER A 6 -2.581 27.121 -7.792 1.00 0.00 C ATOM 50 C SER A 6 -3.031 26.216 -6.649 1.00 0.00 C ATOM 51 O SER A 6 -3.773 26.639 -5.764 1.00 0.00 O ATOM 52 CB SER A 6 -1.807 28.318 -7.236 1.00 0.00 C ATOM 53 OG SER A 6 -1.217 29.073 -8.280 1.00 0.00 O ATOM 0 H SER A 6 -4.427 28.084 -8.040 1.00 0.00 H new ATOM 0 HA SER A 6 -1.927 26.548 -8.449 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.479 28.953 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.033 27.969 -6.553 1.00 0.00 H new ATOM 0 HG SER A 6 -0.730 29.833 -7.899 1.00 0.00 H new ATOM 59 N GLY A 7 -2.577 24.967 -6.677 1.00 0.00 N ATOM 60 CA GLY A 7 -2.943 24.022 -5.638 1.00 0.00 C ATOM 61 C GLY A 7 -3.264 22.648 -6.193 1.00 0.00 C ATOM 62 O GLY A 7 -4.363 22.414 -6.694 1.00 0.00 O ATOM 0 H GLY A 7 -1.963 24.593 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.126 23.940 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.807 24.402 -5.093 1.00 0.00 H new ATOM 66 N PHE A 8 -2.301 21.736 -6.104 1.00 0.00 N ATOM 67 CA PHE A 8 -2.485 20.378 -6.603 1.00 0.00 C ATOM 68 C PHE A 8 -1.958 19.354 -5.601 1.00 0.00 C ATOM 69 O PHE A 8 -0.749 19.173 -5.459 1.00 0.00 O ATOM 70 CB PHE A 8 -1.774 20.206 -7.947 1.00 0.00 C ATOM 71 CG PHE A 8 -2.165 18.951 -8.675 1.00 0.00 C ATOM 72 CD1 PHE A 8 -1.694 17.717 -8.257 1.00 0.00 C ATOM 73 CD2 PHE A 8 -3.003 19.006 -9.777 1.00 0.00 C ATOM 74 CE1 PHE A 8 -2.052 16.560 -8.924 1.00 0.00 C ATOM 75 CE2 PHE A 8 -3.365 17.853 -10.447 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.888 16.629 -10.021 1.00 0.00 C ATOM 0 H PHE A 8 -1.385 21.913 -5.691 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.553 20.209 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.994 21.067 -8.579 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.697 20.200 -7.781 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.039 17.658 -7.400 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.377 19.961 -10.116 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.679 15.604 -8.588 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.021 17.909 -11.303 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.168 15.727 -10.545 1.00 0.00 H new ATOM 86 N LYS A 9 -2.875 18.688 -4.908 1.00 0.00 N ATOM 87 CA LYS A 9 -2.506 17.681 -3.920 1.00 0.00 C ATOM 88 C LYS A 9 -3.111 16.326 -4.272 1.00 0.00 C ATOM 89 O LYS A 9 -4.325 16.198 -4.427 1.00 0.00 O ATOM 90 CB LYS A 9 -2.969 18.112 -2.526 1.00 0.00 C ATOM 91 CG LYS A 9 -1.972 19.000 -1.802 1.00 0.00 C ATOM 92 CD LYS A 9 -2.186 20.467 -2.138 1.00 0.00 C ATOM 93 CE LYS A 9 -3.258 21.090 -1.257 1.00 0.00 C ATOM 94 NZ LYS A 9 -2.815 21.203 0.160 1.00 0.00 N ATOM 0 H LYS A 9 -3.880 18.827 -5.012 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.420 17.586 -3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.917 18.642 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.156 17.223 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.068 18.854 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.958 18.707 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.249 21.010 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.473 20.563 -3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.512 22.079 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.165 20.487 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.385 21.925 0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.938 20.287 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.812 21.477 0.189 1.00 0.00 H new ATOM 108 N VAL A 10 -2.256 15.316 -4.395 1.00 0.00 N ATOM 109 CA VAL A 10 -2.706 13.969 -4.726 1.00 0.00 C ATOM 110 C VAL A 10 -2.239 12.961 -3.682 1.00 0.00 C ATOM 111 O VAL A 10 -1.085 12.964 -3.253 1.00 0.00 O ATOM 112 CB VAL A 10 -2.195 13.531 -6.111 1.00 0.00 C ATOM 113 CG1 VAL A 10 -0.681 13.660 -6.187 1.00 0.00 C ATOM 114 CG2 VAL A 10 -2.632 12.105 -6.414 1.00 0.00 C ATOM 0 H VAL A 10 -1.248 15.405 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.796 13.994 -4.740 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.630 14.188 -6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.338 13.346 -7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.395 14.698 -6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.223 13.028 -5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.262 11.812 -7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.227 11.432 -5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.720 12.048 -6.404 1.00 0.00 H new ATOM 124 N PRO A 11 -3.156 12.077 -3.262 1.00 0.00 N ATOM 125 CA PRO A 11 -2.861 11.045 -2.263 1.00 0.00 C ATOM 126 C PRO A 11 -1.925 9.968 -2.801 1.00 0.00 C ATOM 127 O PRO A 11 -1.817 9.753 -4.008 1.00 0.00 O ATOM 128 CB PRO A 11 -4.236 10.451 -1.950 1.00 0.00 C ATOM 129 CG PRO A 11 -5.048 10.711 -3.172 1.00 0.00 C ATOM 130 CD PRO A 11 -4.550 12.015 -3.730 1.00 0.00 C ATOM 0 HA PRO A 11 -2.351 11.455 -1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.168 9.384 -1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.680 10.921 -1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.930 9.906 -3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.109 10.770 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.610 12.035 -4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.135 12.858 -3.363 1.00 0.00 H new ATOM 138 N PRO A 12 -1.232 9.274 -1.885 1.00 0.00 N ATOM 139 CA PRO A 12 -0.294 8.207 -2.245 1.00 0.00 C ATOM 140 C PRO A 12 -1.003 6.971 -2.789 1.00 0.00 C ATOM 141 O PRO A 12 -0.362 6.039 -3.276 1.00 0.00 O ATOM 142 CB PRO A 12 0.401 7.884 -0.920 1.00 0.00 C ATOM 143 CG PRO A 12 -0.575 8.292 0.129 1.00 0.00 C ATOM 144 CD PRO A 12 -1.312 9.478 -0.429 1.00 0.00 C ATOM 0 HA PRO A 12 0.389 8.515 -3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.640 6.823 -0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.339 8.430 -0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.263 7.478 0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.065 8.551 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.345 9.508 -0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.848 10.417 -0.129 1.00 0.00 H new ATOM 152 N PHE A 13 -2.329 6.969 -2.703 1.00 0.00 N ATOM 153 CA PHE A 13 -3.125 5.847 -3.187 1.00 0.00 C ATOM 154 C PHE A 13 -4.128 6.306 -4.242 1.00 0.00 C ATOM 155 O PHE A 13 -5.056 5.577 -4.588 1.00 0.00 O ATOM 156 CB PHE A 13 -3.861 5.178 -2.024 1.00 0.00 C ATOM 157 CG PHE A 13 -2.944 4.648 -0.960 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.771 3.994 -1.300 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.255 4.804 0.382 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.924 3.505 -0.323 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.412 4.318 1.363 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.246 3.667 1.011 1.00 0.00 C ATOM 0 H PHE A 13 -2.875 7.732 -2.303 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.449 5.125 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.546 5.898 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.467 4.359 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.515 3.865 -2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.166 5.311 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.012 2.997 -0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.665 4.447 2.405 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.587 3.285 1.777 1.00 0.00 H new ATOM 172 N GLN A 14 -3.932 7.519 -4.747 1.00 0.00 N ATOM 173 CA GLN A 14 -4.819 8.076 -5.761 1.00 0.00 C ATOM 174 C GLN A 14 -5.178 7.026 -6.807 1.00 0.00 C ATOM 175 O GLN A 14 -4.304 6.496 -7.494 1.00 0.00 O ATOM 176 CB GLN A 14 -4.164 9.282 -6.436 1.00 0.00 C ATOM 177 CG GLN A 14 -4.924 9.786 -7.652 1.00 0.00 C ATOM 178 CD GLN A 14 -6.193 10.528 -7.281 1.00 0.00 C ATOM 179 OE1 GLN A 14 -7.080 9.977 -6.630 1.00 0.00 O ATOM 180 NE2 GLN A 14 -6.285 11.787 -7.694 1.00 0.00 N ATOM 0 H GLN A 14 -3.167 8.135 -4.471 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.736 8.399 -5.267 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.078 10.091 -5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.151 9.014 -6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.278 10.446 -8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.176 8.942 -8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.525 12.204 -8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.115 12.337 -7.474 1.00 0.00 H new ATOM 189 N ASP A 15 -6.467 6.729 -6.922 1.00 0.00 N ATOM 190 CA ASP A 15 -6.942 5.741 -7.885 1.00 0.00 C ATOM 191 C ASP A 15 -6.157 4.439 -7.759 1.00 0.00 C ATOM 192 O ASP A 15 -5.859 3.784 -8.759 1.00 0.00 O ATOM 193 CB ASP A 15 -6.823 6.288 -9.309 1.00 0.00 C ATOM 194 CG ASP A 15 -7.715 7.491 -9.544 1.00 0.00 C ATOM 195 OD1 ASP A 15 -7.627 8.458 -8.758 1.00 0.00 O ATOM 196 OD2 ASP A 15 -8.501 7.466 -10.513 1.00 0.00 O ATOM 0 H ASP A 15 -7.203 7.158 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.990 5.534 -7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.787 6.564 -9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.082 5.503 -10.019 1.00 0.00 H new ATOM 201 N CYS A 16 -5.825 4.071 -6.527 1.00 0.00 N ATOM 202 CA CYS A 16 -5.073 2.848 -6.271 1.00 0.00 C ATOM 203 C CYS A 16 -5.802 1.963 -5.265 1.00 0.00 C ATOM 204 O CYS A 16 -6.008 2.353 -4.115 1.00 0.00 O ATOM 205 CB CYS A 16 -3.674 3.184 -5.754 1.00 0.00 C ATOM 206 SG CYS A 16 -2.645 4.082 -6.938 1.00 0.00 S ATOM 0 H CYS A 16 -6.065 4.602 -5.690 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.983 2.302 -7.210 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.767 3.779 -4.846 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.168 2.259 -5.478 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.124 5.278 -7.110 1.00 0.00 H new ATOM 212 N ILE A 17 -6.190 0.771 -5.706 1.00 0.00 N ATOM 213 CA ILE A 17 -6.896 -0.169 -4.844 1.00 0.00 C ATOM 214 C ILE A 17 -5.934 -1.178 -4.227 1.00 0.00 C ATOM 215 O ILE A 17 -4.986 -1.624 -4.874 1.00 0.00 O ATOM 216 CB ILE A 17 -7.992 -0.927 -5.616 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.888 0.057 -6.371 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.818 -1.779 -4.664 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.515 -0.530 -7.616 1.00 0.00 C ATOM 0 H ILE A 17 -6.027 0.433 -6.655 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.361 0.418 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.515 -1.586 -6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.678 0.402 -5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.300 0.932 -6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.588 -2.308 -5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.170 -2.501 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.288 -1.139 -3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.137 0.223 -8.100 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.731 -0.849 -8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.130 -1.388 -7.344 1.00 0.00 H new ATOM 231 N LEU A 18 -6.185 -1.535 -2.972 1.00 0.00 N ATOM 232 CA LEU A 18 -5.342 -2.495 -2.266 1.00 0.00 C ATOM 233 C LEU A 18 -6.180 -3.397 -1.366 1.00 0.00 C ATOM 234 O LEU A 18 -7.273 -3.023 -0.940 1.00 0.00 O ATOM 235 CB LEU A 18 -4.289 -1.762 -1.434 1.00 0.00 C ATOM 236 CG LEU A 18 -3.661 -0.527 -2.082 1.00 0.00 C ATOM 237 CD1 LEU A 18 -4.459 0.720 -1.737 1.00 0.00 C ATOM 238 CD2 LEU A 18 -2.212 -0.374 -1.644 1.00 0.00 C ATOM 0 H LEU A 18 -6.965 -1.175 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.842 -3.117 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.745 -1.460 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.492 -2.465 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.680 -0.658 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.998 1.589 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.481 0.611 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.472 0.856 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.781 0.510 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.169 -0.265 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.646 -1.257 -1.943 1.00 0.00 H new ATOM 250 N SER A 19 -5.660 -4.586 -1.080 1.00 0.00 N ATOM 251 CA SER A 19 -6.361 -5.543 -0.232 1.00 0.00 C ATOM 252 C SER A 19 -5.432 -6.096 0.845 1.00 0.00 C ATOM 253 O SER A 19 -4.216 -6.158 0.661 1.00 0.00 O ATOM 254 CB SER A 19 -6.922 -6.690 -1.076 1.00 0.00 C ATOM 255 OG SER A 19 -6.004 -7.079 -2.082 1.00 0.00 O ATOM 0 H SER A 19 -4.756 -4.910 -1.423 1.00 0.00 H new ATOM 0 HA SER A 19 -7.186 -5.023 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.146 -7.542 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.861 -6.382 -1.536 1.00 0.00 H new ATOM 0 HG SER A 19 -6.385 -7.814 -2.606 1.00 0.00 H new ATOM 261 N PHE A 20 -6.014 -6.498 1.970 1.00 0.00 N ATOM 262 CA PHE A 20 -5.241 -7.046 3.078 1.00 0.00 C ATOM 263 C PHE A 20 -5.687 -8.468 3.402 1.00 0.00 C ATOM 264 O PHE A 20 -6.871 -8.725 3.623 1.00 0.00 O ATOM 265 CB PHE A 20 -5.385 -6.159 4.316 1.00 0.00 C ATOM 266 CG PHE A 20 -5.084 -4.711 4.055 1.00 0.00 C ATOM 267 CD1 PHE A 20 -3.778 -4.282 3.882 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.106 -3.778 3.983 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.497 -2.950 3.641 1.00 0.00 C ATOM 270 CE2 PHE A 20 -5.831 -2.446 3.742 1.00 0.00 C ATOM 271 CZ PHE A 20 -4.525 -2.031 3.572 1.00 0.00 C ATOM 0 H PHE A 20 -7.019 -6.454 2.138 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.193 -7.073 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.401 -6.247 4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.717 -6.526 5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.970 -4.997 3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.129 -4.096 4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.475 -2.629 3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.637 -1.729 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.308 -0.990 3.385 1.00 0.00 H new ATOM 281 N LEU A 21 -4.731 -9.390 3.430 1.00 0.00 N ATOM 282 CA LEU A 21 -5.024 -10.788 3.727 1.00 0.00 C ATOM 283 C LEU A 21 -4.104 -11.316 4.823 1.00 0.00 C ATOM 284 O LEU A 21 -2.891 -11.412 4.637 1.00 0.00 O ATOM 285 CB LEU A 21 -4.875 -11.640 2.465 1.00 0.00 C ATOM 286 CG LEU A 21 -4.816 -13.153 2.680 1.00 0.00 C ATOM 287 CD1 LEU A 21 -6.207 -13.709 2.941 1.00 0.00 C ATOM 288 CD2 LEU A 21 -4.182 -13.838 1.478 1.00 0.00 C ATOM 0 H LEU A 21 -3.746 -9.195 3.251 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.053 -10.851 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.711 -11.420 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.967 -11.331 1.947 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.197 -13.353 3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.146 -14.787 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.624 -13.241 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.849 -13.498 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.148 -14.914 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.774 -13.630 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.169 -13.461 1.337 1.00 0.00 H new ATOM 300 N GLY A 22 -4.689 -11.660 5.966 1.00 0.00 N ATOM 301 CA GLY A 22 -3.908 -12.176 7.074 1.00 0.00 C ATOM 302 C GLY A 22 -4.219 -11.474 8.380 1.00 0.00 C ATOM 303 O GLY A 22 -4.582 -12.114 9.367 1.00 0.00 O ATOM 0 H GLY A 22 -5.691 -11.590 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.101 -13.243 7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.847 -12.065 6.849 1.00 0.00 H new ATOM 307 N PHE A 23 -4.075 -10.152 8.389 1.00 0.00 N ATOM 308 CA PHE A 23 -4.340 -9.362 9.585 1.00 0.00 C ATOM 309 C PHE A 23 -5.723 -9.676 10.149 1.00 0.00 C ATOM 310 O PHE A 23 -6.652 -9.990 9.404 1.00 0.00 O ATOM 311 CB PHE A 23 -4.234 -7.868 9.269 1.00 0.00 C ATOM 312 CG PHE A 23 -3.004 -7.508 8.486 1.00 0.00 C ATOM 313 CD1 PHE A 23 -2.991 -7.611 7.104 1.00 0.00 C ATOM 314 CD2 PHE A 23 -1.860 -7.066 9.132 1.00 0.00 C ATOM 315 CE1 PHE A 23 -1.861 -7.279 6.381 1.00 0.00 C ATOM 316 CE2 PHE A 23 -0.727 -6.733 8.413 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.727 -6.841 7.036 1.00 0.00 C ATOM 0 H PHE A 23 -3.776 -9.606 7.581 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.593 -9.622 10.335 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.116 -7.560 8.707 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.238 -7.306 10.203 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.874 -7.955 6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.854 -6.981 10.209 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.865 -7.362 5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.158 -6.389 8.928 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.158 -6.583 6.473 1.00 0.00 H new ATOM 327 N SER A 24 -5.850 -9.591 11.469 1.00 0.00 N ATOM 328 CA SER A 24 -7.118 -9.870 12.134 1.00 0.00 C ATOM 329 C SER A 24 -8.182 -8.857 11.723 1.00 0.00 C ATOM 330 O SER A 24 -7.893 -7.673 11.547 1.00 0.00 O ATOM 331 CB SER A 24 -6.936 -9.848 13.653 1.00 0.00 C ATOM 332 OG SER A 24 -8.027 -10.474 14.306 1.00 0.00 O ATOM 0 H SER A 24 -5.091 -9.331 12.099 1.00 0.00 H new ATOM 0 HA SER A 24 -7.450 -10.862 11.829 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.009 -10.356 13.919 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.845 -8.818 13.997 1.00 0.00 H new ATOM 0 HG SER A 24 -7.886 -10.449 15.276 1.00 0.00 H new ATOM 338 N ASP A 25 -9.414 -9.331 11.572 1.00 0.00 N ATOM 339 CA ASP A 25 -10.523 -8.468 11.183 1.00 0.00 C ATOM 340 C ASP A 25 -10.360 -7.073 11.778 1.00 0.00 C ATOM 341 O ASP A 25 -10.595 -6.070 11.105 1.00 0.00 O ATOM 342 CB ASP A 25 -11.852 -9.076 11.633 1.00 0.00 C ATOM 343 CG ASP A 25 -12.927 -8.027 11.842 1.00 0.00 C ATOM 344 OD1 ASP A 25 -13.286 -7.341 10.862 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.409 -7.893 12.986 1.00 0.00 O ATOM 0 H ASP A 25 -9.670 -10.308 11.713 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.521 -8.382 10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.190 -9.795 10.887 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.700 -9.627 12.561 1.00 0.00 H new ATOM 350 N GLU A 26 -9.959 -7.018 13.045 1.00 0.00 N ATOM 351 CA GLU A 26 -9.767 -5.745 13.730 1.00 0.00 C ATOM 352 C GLU A 26 -8.640 -4.944 13.085 1.00 0.00 C ATOM 353 O GLU A 26 -8.844 -3.813 12.645 1.00 0.00 O ATOM 354 CB GLU A 26 -9.458 -5.980 15.210 1.00 0.00 C ATOM 355 CG GLU A 26 -10.641 -6.511 16.003 1.00 0.00 C ATOM 356 CD GLU A 26 -10.224 -7.161 17.308 1.00 0.00 C ATOM 357 OE1 GLU A 26 -9.946 -8.379 17.301 1.00 0.00 O ATOM 358 OE2 GLU A 26 -10.176 -6.453 18.335 1.00 0.00 O ATOM 0 H GLU A 26 -9.761 -7.839 13.617 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.691 -5.172 13.645 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.631 -6.685 15.292 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.124 -5.043 15.656 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.330 -5.693 16.213 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.184 -7.237 15.397 1.00 0.00 H new ATOM 365 N GLU A 27 -7.453 -5.539 13.033 1.00 0.00 N ATOM 366 CA GLU A 27 -6.294 -4.880 12.443 1.00 0.00 C ATOM 367 C GLU A 27 -6.576 -4.472 11.000 1.00 0.00 C ATOM 368 O GLU A 27 -6.359 -3.323 10.613 1.00 0.00 O ATOM 369 CB GLU A 27 -5.074 -5.802 12.494 1.00 0.00 C ATOM 370 CG GLU A 27 -4.440 -5.897 13.872 1.00 0.00 C ATOM 371 CD GLU A 27 -4.262 -4.541 14.527 1.00 0.00 C ATOM 372 OE1 GLU A 27 -5.215 -4.067 15.180 1.00 0.00 O ATOM 373 OE2 GLU A 27 -3.169 -3.953 14.387 1.00 0.00 O ATOM 0 H GLU A 27 -7.269 -6.476 13.392 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.086 -3.981 13.023 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.369 -6.800 12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.328 -5.444 11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.060 -6.526 14.511 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.470 -6.386 13.788 1.00 0.00 H new ATOM 380 N LYS A 28 -7.061 -5.421 10.207 1.00 0.00 N ATOM 381 CA LYS A 28 -7.375 -5.163 8.807 1.00 0.00 C ATOM 382 C LYS A 28 -8.290 -3.950 8.669 1.00 0.00 C ATOM 383 O LYS A 28 -7.970 -3.039 7.907 1.00 0.00 O ATOM 384 CB LYS A 28 -8.038 -6.390 8.177 1.00 0.00 C ATOM 385 CG LYS A 28 -8.276 -6.253 6.683 1.00 0.00 C ATOM 386 CD LYS A 28 -9.619 -5.608 6.389 1.00 0.00 C ATOM 387 CE LYS A 28 -10.716 -6.650 6.231 1.00 0.00 C ATOM 388 NZ LYS A 28 -11.411 -6.924 7.519 1.00 0.00 N ATOM 0 H LYS A 28 -7.245 -6.377 10.511 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.442 -4.953 8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.412 -7.264 8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.991 -6.572 8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.480 -5.655 6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.234 -7.237 6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.880 -4.924 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.547 -5.014 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.441 -6.305 5.494 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.286 -7.575 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.337 -7.357 7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.836 -7.574 8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.546 -6.032 8.037 1.00 0.00 H new ATOM 402 N HIS A 29 -9.394 -3.964 9.400 1.00 0.00 N ATOM 403 CA HIS A 29 -10.339 -2.861 9.350 1.00 0.00 C ATOM 404 C HIS A 29 -9.578 -1.535 9.322 1.00 0.00 C ATOM 405 O HIS A 29 -9.705 -0.728 8.401 1.00 0.00 O ATOM 406 CB HIS A 29 -11.338 -2.948 10.505 1.00 0.00 C ATOM 407 CG HIS A 29 -12.487 -1.974 10.399 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.681 -2.289 9.774 1.00 0.00 N ATOM 409 CD2 HIS A 29 -12.611 -0.691 10.844 1.00 0.00 C ATOM 410 CE1 HIS A 29 -14.481 -1.235 9.846 1.00 0.00 C ATOM 411 NE2 HIS A 29 -13.816 -0.246 10.508 1.00 0.00 N ATOM 0 H HIS A 29 -9.656 -4.722 10.031 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.927 -2.922 8.434 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.737 -3.961 10.551 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.810 -2.771 11.442 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.857 -0.132 11.379 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.484 -1.171 9.450 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.184 0.683 10.712 1.00 0.00 H new ATOM 419 N SER A 30 -8.776 -1.325 10.362 1.00 0.00 N ATOM 420 CA SER A 30 -7.985 -0.106 10.484 1.00 0.00 C ATOM 421 C SER A 30 -7.215 0.173 9.197 1.00 0.00 C ATOM 422 O SER A 30 -7.291 1.268 8.641 1.00 0.00 O ATOM 423 CB SER A 30 -7.013 -0.220 11.660 1.00 0.00 C ATOM 424 OG SER A 30 -6.754 1.051 12.231 1.00 0.00 O ATOM 0 H SER A 30 -8.657 -1.983 11.132 1.00 0.00 H new ATOM 0 HA SER A 30 -8.667 0.725 10.665 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.429 -0.885 12.417 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.079 -0.668 11.322 1.00 0.00 H new ATOM 0 HG SER A 30 -6.132 0.952 12.982 1.00 0.00 H new ATOM 430 N MET A 31 -6.473 -0.826 8.731 1.00 0.00 N ATOM 431 CA MET A 31 -5.688 -0.689 7.509 1.00 0.00 C ATOM 432 C MET A 31 -6.557 -0.191 6.359 1.00 0.00 C ATOM 433 O MET A 31 -6.165 0.711 5.620 1.00 0.00 O ATOM 434 CB MET A 31 -5.047 -2.028 7.137 1.00 0.00 C ATOM 435 CG MET A 31 -4.177 -2.612 8.238 1.00 0.00 C ATOM 436 SD MET A 31 -3.823 -4.362 7.989 1.00 0.00 S ATOM 437 CE MET A 31 -2.332 -4.269 7.000 1.00 0.00 C ATOM 0 H MET A 31 -6.399 -1.739 9.180 1.00 0.00 H new ATOM 0 HA MET A 31 -4.902 0.044 7.691 1.00 0.00 H new ATOM 0 HB2 MET A 31 -5.833 -2.741 6.889 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.443 -1.895 6.240 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.239 -2.059 8.286 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.675 -2.479 9.198 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.371 -5.020 6.211 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.253 -3.278 6.554 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.464 -4.453 7.633 1.00 0.00 H new ATOM 447 N GLU A 32 -7.738 -0.785 6.214 1.00 0.00 N ATOM 448 CA GLU A 32 -8.660 -0.400 5.152 1.00 0.00 C ATOM 449 C GLU A 32 -9.093 1.055 5.308 1.00 0.00 C ATOM 450 O GLU A 32 -8.956 1.856 4.384 1.00 0.00 O ATOM 451 CB GLU A 32 -9.888 -1.313 5.158 1.00 0.00 C ATOM 452 CG GLU A 32 -9.614 -2.706 4.616 1.00 0.00 C ATOM 453 CD GLU A 32 -9.151 -2.689 3.172 1.00 0.00 C ATOM 454 OE1 GLU A 32 -9.128 -1.596 2.569 1.00 0.00 O ATOM 455 OE2 GLU A 32 -8.813 -3.769 2.645 1.00 0.00 O ATOM 0 H GLU A 32 -8.078 -1.533 6.818 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.142 -0.506 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.263 -1.397 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.677 -0.850 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.855 -3.189 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.519 -3.308 4.696 1.00 0.00 H new ATOM 462 N GLU A 33 -9.617 1.388 6.483 1.00 0.00 N ATOM 463 CA GLU A 33 -10.071 2.745 6.759 1.00 0.00 C ATOM 464 C GLU A 33 -8.970 3.759 6.461 1.00 0.00 C ATOM 465 O GLU A 33 -9.245 4.893 6.072 1.00 0.00 O ATOM 466 CB GLU A 33 -10.515 2.872 8.218 1.00 0.00 C ATOM 467 CG GLU A 33 -11.768 2.077 8.545 1.00 0.00 C ATOM 468 CD GLU A 33 -12.588 2.709 9.652 1.00 0.00 C ATOM 469 OE1 GLU A 33 -13.318 3.682 9.370 1.00 0.00 O ATOM 470 OE2 GLU A 33 -12.500 2.230 10.802 1.00 0.00 O ATOM 0 H GLU A 33 -9.737 0.737 7.259 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.920 2.955 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.704 2.539 8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.693 3.923 8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.382 1.989 7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.486 1.066 8.839 1.00 0.00 H new ATOM 477 N MET A 34 -7.722 3.340 6.648 1.00 0.00 N ATOM 478 CA MET A 34 -6.579 4.211 6.399 1.00 0.00 C ATOM 479 C MET A 34 -6.476 4.562 4.918 1.00 0.00 C ATOM 480 O MET A 34 -6.421 5.735 4.549 1.00 0.00 O ATOM 481 CB MET A 34 -5.287 3.538 6.867 1.00 0.00 C ATOM 482 CG MET A 34 -4.163 4.519 7.158 1.00 0.00 C ATOM 483 SD MET A 34 -4.362 5.356 8.743 1.00 0.00 S ATOM 484 CE MET A 34 -3.585 4.179 9.847 1.00 0.00 C ATOM 0 H MET A 34 -7.477 2.404 6.971 1.00 0.00 H new ATOM 0 HA MET A 34 -6.725 5.132 6.963 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.494 2.958 7.766 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.956 2.835 6.103 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.211 3.988 7.149 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.120 5.262 6.362 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.628 4.555 10.869 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.109 3.225 9.789 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.544 4.039 9.556 1.00 0.00 H new ATOM 494 N THR A 35 -6.448 3.536 4.072 1.00 0.00 N ATOM 495 CA THR A 35 -6.349 3.736 2.632 1.00 0.00 C ATOM 496 C THR A 35 -7.290 4.842 2.164 1.00 0.00 C ATOM 497 O THR A 35 -6.894 5.725 1.405 1.00 0.00 O ATOM 498 CB THR A 35 -6.674 2.443 1.861 1.00 0.00 C ATOM 499 OG1 THR A 35 -5.782 1.397 2.263 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.560 2.664 0.361 1.00 0.00 C ATOM 0 H THR A 35 -6.493 2.559 4.360 1.00 0.00 H new ATOM 0 HA THR A 35 -5.319 4.026 2.424 1.00 0.00 H new ATOM 0 HB THR A 35 -7.700 2.156 2.093 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.996 0.577 1.770 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.794 1.737 -0.162 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.260 3.441 0.053 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.544 2.973 0.115 1.00 0.00 H new ATOM 508 N GLU A 36 -8.535 4.787 2.625 1.00 0.00 N ATOM 509 CA GLU A 36 -9.531 5.785 2.252 1.00 0.00 C ATOM 510 C GLU A 36 -9.189 7.145 2.853 1.00 0.00 C ATOM 511 O GLU A 36 -9.299 8.174 2.187 1.00 0.00 O ATOM 512 CB GLU A 36 -10.923 5.346 2.715 1.00 0.00 C ATOM 513 CG GLU A 36 -11.634 4.436 1.727 1.00 0.00 C ATOM 514 CD GLU A 36 -13.143 4.496 1.861 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.626 4.982 2.905 1.00 0.00 O ATOM 516 OE2 GLU A 36 -13.840 4.058 0.923 1.00 0.00 O ATOM 0 H GLU A 36 -8.878 4.063 3.257 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.529 5.876 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.833 4.830 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.536 6.231 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.352 4.716 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.300 3.410 1.879 1.00 0.00 H new ATOM 523 N MET A 37 -8.774 7.141 4.115 1.00 0.00 N ATOM 524 CA MET A 37 -8.415 8.374 4.806 1.00 0.00 C ATOM 525 C MET A 37 -7.304 9.109 4.063 1.00 0.00 C ATOM 526 O MET A 37 -7.341 10.332 3.926 1.00 0.00 O ATOM 527 CB MET A 37 -7.973 8.071 6.239 1.00 0.00 C ATOM 528 CG MET A 37 -9.118 8.060 7.239 1.00 0.00 C ATOM 529 SD MET A 37 -8.552 8.219 8.943 1.00 0.00 S ATOM 530 CE MET A 37 -8.300 6.501 9.379 1.00 0.00 C ATOM 0 H MET A 37 -8.678 6.298 4.680 1.00 0.00 H new ATOM 0 HA MET A 37 -9.296 9.016 4.834 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.474 7.102 6.259 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.238 8.814 6.549 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.803 8.876 7.010 1.00 0.00 H new ATOM 0 HG3 MET A 37 -9.680 7.132 7.132 1.00 0.00 H new ATOM 0 HE1 MET A 37 -8.263 6.403 10.464 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.122 5.902 8.988 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.361 6.151 8.951 1.00 0.00 H new ATOM 540 N GLN A 38 -6.319 8.356 3.585 1.00 0.00 N ATOM 541 CA GLN A 38 -5.197 8.938 2.857 1.00 0.00 C ATOM 542 C GLN A 38 -5.633 9.414 1.475 1.00 0.00 C ATOM 543 O GLN A 38 -5.210 10.471 1.010 1.00 0.00 O ATOM 544 CB GLN A 38 -4.064 7.920 2.725 1.00 0.00 C ATOM 545 CG GLN A 38 -3.616 7.332 4.053 1.00 0.00 C ATOM 546 CD GLN A 38 -3.328 8.395 5.095 1.00 0.00 C ATOM 547 OE1 GLN A 38 -3.000 9.534 4.761 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.450 8.029 6.365 1.00 0.00 N ATOM 0 H GLN A 38 -6.275 7.342 3.688 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.838 9.799 3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.388 7.111 2.070 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.211 8.398 2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.389 6.661 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.721 6.731 3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.724 7.074 6.597 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.270 8.703 7.109 1.00 0.00 H new ATOM 557 N GLY A 39 -6.483 8.625 0.824 1.00 0.00 N ATOM 558 CA GLY A 39 -6.962 8.982 -0.498 1.00 0.00 C ATOM 559 C GLY A 39 -6.890 7.824 -1.473 1.00 0.00 C ATOM 560 O GLY A 39 -6.455 7.989 -2.613 1.00 0.00 O ATOM 0 H GLY A 39 -6.848 7.745 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.993 9.329 -0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.372 9.814 -0.882 1.00 0.00 H new ATOM 564 N GLY A 40 -7.316 6.647 -1.025 1.00 0.00 N ATOM 565 CA GLY A 40 -7.288 5.474 -1.878 1.00 0.00 C ATOM 566 C GLY A 40 -8.493 4.577 -1.672 1.00 0.00 C ATOM 567 O GLY A 40 -9.324 4.834 -0.801 1.00 0.00 O ATOM 0 H GLY A 40 -7.680 6.485 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.247 5.788 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.379 4.907 -1.680 1.00 0.00 H new ATOM 571 N SER A 41 -8.589 3.523 -2.476 1.00 0.00 N ATOM 572 CA SER A 41 -9.704 2.589 -2.380 1.00 0.00 C ATOM 573 C SER A 41 -9.212 1.190 -2.020 1.00 0.00 C ATOM 574 O SER A 41 -8.008 0.950 -1.921 1.00 0.00 O ATOM 575 CB SER A 41 -10.475 2.545 -3.701 1.00 0.00 C ATOM 576 OG SER A 41 -10.922 3.838 -4.073 1.00 0.00 O ATOM 0 H SER A 41 -7.908 3.295 -3.201 1.00 0.00 H new ATOM 0 HA SER A 41 -10.369 2.936 -1.590 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.837 2.138 -4.485 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.329 1.875 -3.605 1.00 0.00 H new ATOM 0 HG SER A 41 -11.410 3.784 -4.921 1.00 0.00 H new ATOM 582 N TYR A 42 -10.151 0.272 -1.825 1.00 0.00 N ATOM 583 CA TYR A 42 -9.815 -1.103 -1.472 1.00 0.00 C ATOM 584 C TYR A 42 -10.883 -2.070 -1.973 1.00 0.00 C ATOM 585 O TYR A 42 -12.059 -1.719 -2.072 1.00 0.00 O ATOM 586 CB TYR A 42 -9.657 -1.239 0.043 1.00 0.00 C ATOM 587 CG TYR A 42 -10.840 -0.713 0.824 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.085 -1.322 0.732 1.00 0.00 C ATOM 589 CD2 TYR A 42 -10.711 0.393 1.656 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.168 -0.844 1.444 1.00 0.00 C ATOM 591 CE2 TYR A 42 -11.789 0.876 2.373 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.015 0.255 2.263 1.00 0.00 C ATOM 593 OH TYR A 42 -14.092 0.733 2.974 1.00 0.00 O ATOM 0 H TYR A 42 -11.151 0.454 -1.905 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.869 -1.354 -1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.506 -2.290 0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.759 -0.706 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.208 -2.184 0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -9.752 0.883 1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.130 -1.328 1.360 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.672 1.736 3.016 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.816 1.510 3.503 1.00 0.00 H new ATOM 603 N LEU A 43 -10.464 -3.292 -2.287 1.00 0.00 N ATOM 604 CA LEU A 43 -11.384 -4.313 -2.777 1.00 0.00 C ATOM 605 C LEU A 43 -11.176 -5.632 -2.040 1.00 0.00 C ATOM 606 O LEU A 43 -10.114 -5.895 -1.475 1.00 0.00 O ATOM 607 CB LEU A 43 -11.192 -4.520 -4.280 1.00 0.00 C ATOM 608 CG LEU A 43 -11.925 -3.535 -5.192 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.391 -3.625 -6.613 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.424 -3.798 -5.167 1.00 0.00 C ATOM 0 H LEU A 43 -9.494 -3.599 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.402 -3.970 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.126 -4.465 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.518 -5.529 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.747 -2.526 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.924 -2.917 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.327 -3.387 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.538 -4.636 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.929 -3.088 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.621 -4.813 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.797 -3.682 -4.149 1.00 0.00 H new ATOM 622 N PRO A 44 -12.212 -6.483 -2.046 1.00 0.00 N ATOM 623 CA PRO A 44 -12.166 -7.791 -1.385 1.00 0.00 C ATOM 624 C PRO A 44 -11.233 -8.767 -2.094 1.00 0.00 C ATOM 625 O PRO A 44 -11.314 -8.947 -3.309 1.00 0.00 O ATOM 626 CB PRO A 44 -13.614 -8.281 -1.466 1.00 0.00 C ATOM 627 CG PRO A 44 -14.186 -7.577 -2.648 1.00 0.00 C ATOM 628 CD PRO A 44 -13.508 -6.236 -2.700 1.00 0.00 C ATOM 0 HA PRO A 44 -11.782 -7.720 -0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.660 -9.363 -1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.165 -8.040 -0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.006 -8.141 -3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.266 -7.465 -2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.381 -5.890 -3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.084 -5.474 -2.175 1.00 0.00 H new ATOM 636 N VAL A 45 -10.347 -9.395 -1.327 1.00 0.00 N ATOM 637 CA VAL A 45 -9.399 -10.354 -1.882 1.00 0.00 C ATOM 638 C VAL A 45 -10.059 -11.225 -2.945 1.00 0.00 C ATOM 639 O VAL A 45 -11.197 -11.663 -2.785 1.00 0.00 O ATOM 640 CB VAL A 45 -8.810 -11.259 -0.785 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.768 -12.200 -1.371 1.00 0.00 C ATOM 642 CG2 VAL A 45 -8.212 -10.420 0.334 1.00 0.00 C ATOM 0 H VAL A 45 -10.266 -9.257 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.594 -9.777 -2.337 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.615 -11.862 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.363 -12.832 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.231 -12.826 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.963 -11.618 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.800 -11.076 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.419 -9.790 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.988 -9.792 0.772 1.00 0.00 H new ATOM 652 N GLY A 46 -9.334 -11.474 -4.032 1.00 0.00 N ATOM 653 CA GLY A 46 -9.865 -12.293 -5.106 1.00 0.00 C ATOM 654 C GLY A 46 -10.116 -11.498 -6.372 1.00 0.00 C ATOM 655 O GLY A 46 -9.743 -11.924 -7.465 1.00 0.00 O ATOM 0 H GLY A 46 -8.389 -11.123 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.167 -13.102 -5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.797 -12.755 -4.780 1.00 0.00 H new ATOM 659 N ASP A 47 -10.750 -10.340 -6.225 1.00 0.00 N ATOM 660 CA ASP A 47 -11.051 -9.483 -7.366 1.00 0.00 C ATOM 661 C ASP A 47 -9.774 -9.085 -8.099 1.00 0.00 C ATOM 662 O ASP A 47 -8.721 -8.916 -7.484 1.00 0.00 O ATOM 663 CB ASP A 47 -11.801 -8.231 -6.907 1.00 0.00 C ATOM 664 CG ASP A 47 -12.633 -7.616 -8.015 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.083 -6.802 -8.787 1.00 0.00 O ATOM 666 OD2 ASP A 47 -13.833 -7.947 -8.110 1.00 0.00 O ATOM 0 H ASP A 47 -11.065 -9.973 -5.327 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.683 -10.045 -8.054 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.449 -8.486 -6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.084 -7.495 -6.543 1.00 0.00 H new ATOM 671 N GLU A 48 -9.874 -8.940 -9.417 1.00 0.00 N ATOM 672 CA GLU A 48 -8.726 -8.564 -10.233 1.00 0.00 C ATOM 673 C GLU A 48 -8.557 -7.048 -10.269 1.00 0.00 C ATOM 674 O GLU A 48 -7.436 -6.538 -10.269 1.00 0.00 O ATOM 675 CB GLU A 48 -8.885 -9.105 -11.656 1.00 0.00 C ATOM 676 CG GLU A 48 -10.126 -8.592 -12.366 1.00 0.00 C ATOM 677 CD GLU A 48 -10.646 -9.564 -13.408 1.00 0.00 C ATOM 678 OE1 GLU A 48 -9.820 -10.266 -14.028 1.00 0.00 O ATOM 679 OE2 GLU A 48 -11.878 -9.624 -13.602 1.00 0.00 O ATOM 0 H GLU A 48 -10.738 -9.077 -9.942 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.834 -9.001 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.005 -8.834 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.921 -10.194 -11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.908 -8.401 -11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.899 -7.639 -12.845 1.00 0.00 H new ATOM 686 N ARG A 49 -9.677 -6.334 -10.302 1.00 0.00 N ATOM 687 CA ARG A 49 -9.654 -4.877 -10.340 1.00 0.00 C ATOM 688 C ARG A 49 -8.560 -4.327 -9.429 1.00 0.00 C ATOM 689 O ARG A 49 -7.941 -3.306 -9.732 1.00 0.00 O ATOM 690 CB ARG A 49 -11.013 -4.312 -9.922 1.00 0.00 C ATOM 691 CG ARG A 49 -12.132 -4.634 -10.899 1.00 0.00 C ATOM 692 CD ARG A 49 -13.497 -4.332 -10.300 1.00 0.00 C ATOM 693 NE ARG A 49 -14.581 -4.629 -11.233 1.00 0.00 N ATOM 694 CZ ARG A 49 -14.838 -3.905 -12.316 1.00 0.00 C ATOM 695 NH1 ARG A 49 -14.092 -2.846 -12.602 1.00 0.00 N ATOM 696 NH2 ARG A 49 -15.842 -4.238 -13.116 1.00 0.00 N ATOM 0 H ARG A 49 -10.612 -6.741 -10.303 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.440 -4.569 -11.363 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.275 -4.706 -8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.931 -3.230 -9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.998 -4.054 -11.812 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.081 -5.686 -11.179 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.631 -4.917 -9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.543 -3.281 -10.013 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.173 -5.437 -11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.319 -2.586 -11.989 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.291 -2.291 -13.435 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.418 -5.051 -12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.038 -3.681 -13.947 1.00 0.00 H new ATOM 710 N CYS A 50 -8.329 -5.009 -8.313 1.00 0.00 N ATOM 711 CA CYS A 50 -7.311 -4.588 -7.356 1.00 0.00 C ATOM 712 C CYS A 50 -5.984 -4.317 -8.058 1.00 0.00 C ATOM 713 O CYS A 50 -5.516 -5.127 -8.859 1.00 0.00 O ATOM 714 CB CYS A 50 -7.123 -5.655 -6.278 1.00 0.00 C ATOM 715 SG CYS A 50 -8.664 -6.406 -5.705 1.00 0.00 S ATOM 0 H CYS A 50 -8.832 -5.856 -8.048 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.648 -3.664 -6.887 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.472 -6.438 -6.667 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.610 -5.209 -5.426 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.844 -7.542 -6.310 1.00 0.00 H new ATOM 721 N THR A 51 -5.383 -3.171 -7.754 1.00 0.00 N ATOM 722 CA THR A 51 -4.112 -2.791 -8.357 1.00 0.00 C ATOM 723 C THR A 51 -2.937 -3.296 -7.527 1.00 0.00 C ATOM 724 O THR A 51 -1.940 -3.735 -8.100 1.00 0.00 O ATOM 725 CB THR A 51 -3.997 -1.263 -8.512 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.002 -0.639 -7.223 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.143 -0.717 -9.350 1.00 0.00 C ATOM 0 H THR A 51 -5.757 -2.490 -7.093 1.00 0.00 H new ATOM 0 HA THR A 51 -4.081 -3.252 -9.344 1.00 0.00 H new ATOM 0 HB THR A 51 -3.059 -1.040 -9.020 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.468 -1.216 -6.582 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.041 0.364 -9.446 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.119 -1.173 -10.340 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.091 -0.950 -8.866 1.00 0.00 H new ATOM 735 N HIS A 52 -3.076 -3.225 -6.212 1.00 0.00 N ATOM 736 CA HIS A 52 -2.020 -3.678 -5.322 1.00 0.00 C ATOM 737 C HIS A 52 -2.568 -4.755 -4.383 1.00 0.00 C ATOM 738 O HIS A 52 -3.776 -4.946 -4.243 1.00 0.00 O ATOM 739 CB HIS A 52 -1.398 -2.498 -4.573 1.00 0.00 C ATOM 740 CG HIS A 52 -0.816 -1.436 -5.474 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.570 -0.753 -6.412 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.454 -0.947 -5.571 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.780 0.106 -7.040 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.474 -0.016 -6.517 1.00 0.00 N ATOM 0 H HIS A 52 -3.904 -2.861 -5.741 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.216 -4.128 -5.904 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.158 -2.044 -3.937 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.613 -2.872 -3.915 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.565 -0.888 -6.590 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.300 -1.264 -4.979 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.077 0.783 -7.827 1.00 0.00 H new ATOM 752 N LEU A 53 -1.645 -5.459 -3.737 1.00 0.00 N ATOM 753 CA LEU A 53 -2.005 -6.522 -2.806 1.00 0.00 C ATOM 754 C LEU A 53 -1.019 -6.586 -1.644 1.00 0.00 C ATOM 755 O LEU A 53 0.176 -6.808 -1.844 1.00 0.00 O ATOM 756 CB LEU A 53 -2.048 -7.869 -3.529 1.00 0.00 C ATOM 757 CG LEU A 53 -2.135 -9.107 -2.637 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.361 -9.034 -1.740 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.166 -10.372 -3.483 1.00 0.00 C ATOM 0 H LEU A 53 -0.641 -5.312 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.995 -6.300 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.905 -7.870 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.156 -7.955 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.248 -9.138 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.406 -9.924 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.298 -8.148 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.259 -8.978 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.228 -11.244 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.034 -10.348 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.258 -10.431 -4.083 1.00 0.00 H new ATOM 771 N ILE A 54 -1.527 -6.393 -0.432 1.00 0.00 N ATOM 772 CA ILE A 54 -0.691 -6.433 0.761 1.00 0.00 C ATOM 773 C ILE A 54 -1.027 -7.641 1.628 1.00 0.00 C ATOM 774 O ILE A 54 -1.997 -7.625 2.386 1.00 0.00 O ATOM 775 CB ILE A 54 -0.848 -5.152 1.602 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.435 -3.926 0.786 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.022 -5.250 2.876 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.562 -3.338 -0.034 1.00 0.00 C ATOM 0 H ILE A 54 -2.513 -6.207 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 54 0.341 -6.510 0.420 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.897 -5.044 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.052 -3.162 1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.383 -4.202 0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.143 -4.337 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.359 -6.104 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.029 -5.379 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.197 -2.472 -0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.931 -4.087 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.372 -3.031 0.628 1.00 0.00 H new ATOM 790 N VAL A 55 -0.217 -8.689 1.513 1.00 0.00 N ATOM 791 CA VAL A 55 -0.426 -9.906 2.289 1.00 0.00 C ATOM 792 C VAL A 55 0.580 -10.011 3.429 1.00 0.00 C ATOM 793 O VAL A 55 1.757 -9.693 3.262 1.00 0.00 O ATOM 794 CB VAL A 55 -0.315 -11.161 1.404 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.019 -11.183 0.672 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.493 -12.420 2.240 1.00 0.00 C ATOM 0 H VAL A 55 0.590 -8.720 0.890 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.433 -9.849 2.702 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.111 -11.130 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.079 -12.077 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.103 -10.298 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.832 -11.190 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.412 -13.297 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.280 -12.459 3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.475 -12.407 2.713 1.00 0.00 H new ATOM 806 N GLU A 56 0.108 -10.459 4.589 1.00 0.00 N ATOM 807 CA GLU A 56 0.968 -10.605 5.757 1.00 0.00 C ATOM 808 C GLU A 56 1.915 -11.789 5.591 1.00 0.00 C ATOM 809 O GLU A 56 1.667 -12.874 6.116 1.00 0.00 O ATOM 810 CB GLU A 56 0.123 -10.787 7.020 1.00 0.00 C ATOM 811 CG GLU A 56 0.934 -10.762 8.304 1.00 0.00 C ATOM 812 CD GLU A 56 0.113 -10.334 9.505 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.650 -11.170 10.031 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.234 -9.162 9.918 1.00 0.00 O ATOM 0 H GLU A 56 -0.864 -10.727 4.744 1.00 0.00 H new ATOM 0 HA GLU A 56 1.563 -9.697 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.629 -9.999 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.411 -11.735 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.348 -11.753 8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.777 -10.081 8.184 1.00 0.00 H new ATOM 821 N GLU A 57 3.002 -11.572 4.856 1.00 0.00 N ATOM 822 CA GLU A 57 3.986 -12.621 4.619 1.00 0.00 C ATOM 823 C GLU A 57 4.448 -13.240 5.935 1.00 0.00 C ATOM 824 O GLU A 57 4.864 -14.398 5.977 1.00 0.00 O ATOM 825 CB GLU A 57 5.188 -12.061 3.857 1.00 0.00 C ATOM 826 CG GLU A 57 5.950 -10.991 4.621 1.00 0.00 C ATOM 827 CD GLU A 57 7.046 -11.568 5.496 1.00 0.00 C ATOM 828 OE1 GLU A 57 6.971 -12.771 5.824 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.978 -10.818 5.852 1.00 0.00 O ATOM 0 H GLU A 57 3.223 -10.679 4.415 1.00 0.00 H new ATOM 0 HA GLU A 57 3.514 -13.398 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.868 -12.878 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.845 -11.644 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.388 -10.287 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.253 -10.427 5.242 1.00 0.00 H new ATOM 836 N ASN A 58 4.373 -12.460 7.009 1.00 0.00 N ATOM 837 CA ASN A 58 4.784 -12.930 8.326 1.00 0.00 C ATOM 838 C ASN A 58 4.091 -14.244 8.676 1.00 0.00 C ATOM 839 O ASN A 58 4.742 -15.231 9.018 1.00 0.00 O ATOM 840 CB ASN A 58 4.469 -11.875 9.389 1.00 0.00 C ATOM 841 CG ASN A 58 5.612 -10.899 9.590 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.007 -10.613 10.720 1.00 0.00 O ATOM 843 ND2 ASN A 58 6.147 -10.381 8.491 1.00 0.00 N ATOM 0 H ASN A 58 4.031 -11.499 6.992 1.00 0.00 H new ATOM 0 HA ASN A 58 5.860 -13.102 8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.573 -11.326 9.098 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.247 -12.370 10.334 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.918 -9.717 8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.787 -10.647 7.574 1.00 0.00 H new ATOM 850 N THR A 59 2.764 -14.248 8.588 1.00 0.00 N ATOM 851 CA THR A 59 1.981 -15.438 8.895 1.00 0.00 C ATOM 852 C THR A 59 1.573 -16.171 7.622 1.00 0.00 C ATOM 853 O THR A 59 1.698 -17.392 7.530 1.00 0.00 O ATOM 854 CB THR A 59 0.716 -15.086 9.700 1.00 0.00 C ATOM 855 OG1 THR A 59 0.063 -16.284 10.135 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.244 -14.255 8.863 1.00 0.00 C ATOM 0 H THR A 59 2.209 -13.440 8.306 1.00 0.00 H new ATOM 0 HA THR A 59 2.616 -16.088 9.497 1.00 0.00 H new ATOM 0 HB THR A 59 1.016 -14.500 10.569 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.739 -16.052 10.647 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.130 -14.019 9.453 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.246 -13.330 8.558 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.537 -14.819 7.978 1.00 0.00 H new ATOM 864 N VAL A 60 1.083 -15.418 6.642 1.00 0.00 N ATOM 865 CA VAL A 60 0.658 -15.996 5.373 1.00 0.00 C ATOM 866 C VAL A 60 1.838 -16.604 4.623 1.00 0.00 C ATOM 867 O VAL A 60 2.871 -15.960 4.441 1.00 0.00 O ATOM 868 CB VAL A 60 -0.020 -14.944 4.476 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.616 -15.600 3.240 1.00 0.00 C ATOM 870 CG2 VAL A 60 -1.085 -14.187 5.254 1.00 0.00 C ATOM 0 H VAL A 60 0.971 -14.406 6.703 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.062 -16.780 5.608 1.00 0.00 H new ATOM 0 HB VAL A 60 0.736 -14.229 4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.091 -14.841 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.174 -16.092 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.359 -16.338 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.554 -13.448 4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.840 -14.887 5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.625 -13.683 6.104 1.00 0.00 H new ATOM 880 N LYS A 61 1.677 -17.850 4.189 1.00 0.00 N ATOM 881 CA LYS A 61 2.727 -18.546 3.456 1.00 0.00 C ATOM 882 C LYS A 61 2.315 -18.783 2.007 1.00 0.00 C ATOM 883 O LYS A 61 3.140 -18.709 1.097 1.00 0.00 O ATOM 884 CB LYS A 61 3.049 -19.882 4.131 1.00 0.00 C ATOM 885 CG LYS A 61 4.060 -19.766 5.259 1.00 0.00 C ATOM 886 CD LYS A 61 5.472 -19.592 4.726 1.00 0.00 C ATOM 887 CE LYS A 61 6.502 -19.667 5.842 1.00 0.00 C ATOM 888 NZ LYS A 61 6.402 -18.504 6.768 1.00 0.00 N ATOM 0 H LYS A 61 0.829 -18.398 4.333 1.00 0.00 H new ATOM 0 HA LYS A 61 3.618 -17.918 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.128 -20.313 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.431 -20.575 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.803 -18.918 5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.013 -20.658 5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.680 -20.364 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.554 -18.631 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.363 -20.591 6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.503 -19.703 5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.121 -18.592 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.560 -17.623 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.456 -18.484 7.199 1.00 0.00 H new ATOM 902 N ASP A 62 1.033 -19.067 1.801 1.00 0.00 N ATOM 903 CA ASP A 62 0.511 -19.312 0.461 1.00 0.00 C ATOM 904 C ASP A 62 -0.811 -18.579 0.251 1.00 0.00 C ATOM 905 O ASP A 62 -1.671 -18.563 1.133 1.00 0.00 O ATOM 906 CB ASP A 62 0.319 -20.812 0.232 1.00 0.00 C ATOM 907 CG ASP A 62 1.477 -21.632 0.765 1.00 0.00 C ATOM 908 OD1 ASP A 62 2.630 -21.357 0.371 1.00 0.00 O ATOM 909 OD2 ASP A 62 1.231 -22.547 1.578 1.00 0.00 O ATOM 0 H ASP A 62 0.337 -19.133 2.544 1.00 0.00 H new ATOM 0 HA ASP A 62 1.235 -18.932 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.603 -21.135 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.204 -21.002 -0.835 1.00 0.00 H new ATOM 914 N LEU A 63 -0.965 -17.973 -0.920 1.00 0.00 N ATOM 915 CA LEU A 63 -2.182 -17.237 -1.246 1.00 0.00 C ATOM 916 C LEU A 63 -3.360 -18.188 -1.436 1.00 0.00 C ATOM 917 O LEU A 63 -3.219 -19.292 -1.961 1.00 0.00 O ATOM 918 CB LEU A 63 -1.975 -16.405 -2.513 1.00 0.00 C ATOM 919 CG LEU A 63 -1.110 -15.154 -2.361 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.850 -14.516 -3.716 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.773 -14.159 -1.419 1.00 0.00 C ATOM 0 H LEU A 63 -0.263 -17.976 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.407 -16.571 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.525 -17.043 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.953 -16.103 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.152 -15.448 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.233 -13.627 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.332 -15.227 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.798 -14.236 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.143 -13.274 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.745 -13.871 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.906 -14.618 -0.440 1.00 0.00 H new ATOM 933 N PRO A 64 -4.550 -17.750 -0.999 1.00 0.00 N ATOM 934 CA PRO A 64 -5.776 -18.546 -1.113 1.00 0.00 C ATOM 935 C PRO A 64 -6.246 -18.685 -2.557 1.00 0.00 C ATOM 936 O PRO A 64 -7.001 -19.598 -2.889 1.00 0.00 O ATOM 937 CB PRO A 64 -6.794 -17.748 -0.293 1.00 0.00 C ATOM 938 CG PRO A 64 -6.291 -16.346 -0.327 1.00 0.00 C ATOM 939 CD PRO A 64 -4.791 -16.444 -0.363 1.00 0.00 C ATOM 0 HA PRO A 64 -5.632 -19.568 -0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.793 -17.821 -0.723 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.859 -18.121 0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.668 -15.817 -1.202 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.625 -15.790 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.349 -15.630 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.361 -16.399 0.638 1.00 0.00 H new ATOM 947 N PHE A 65 -5.794 -17.773 -3.411 1.00 0.00 N ATOM 948 CA PHE A 65 -6.169 -17.794 -4.820 1.00 0.00 C ATOM 949 C PHE A 65 -4.963 -17.501 -5.708 1.00 0.00 C ATOM 950 O PHE A 65 -3.890 -17.152 -5.219 1.00 0.00 O ATOM 951 CB PHE A 65 -7.275 -16.771 -5.091 1.00 0.00 C ATOM 952 CG PHE A 65 -6.770 -15.364 -5.232 1.00 0.00 C ATOM 953 CD1 PHE A 65 -6.297 -14.670 -4.130 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.768 -14.736 -6.467 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.830 -13.375 -4.257 1.00 0.00 C ATOM 956 CE2 PHE A 65 -6.302 -13.441 -6.600 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.834 -12.759 -5.494 1.00 0.00 C ATOM 0 H PHE A 65 -5.168 -17.011 -3.152 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.540 -18.791 -5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.803 -17.052 -6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.000 -16.808 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.293 -15.146 -3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.134 -15.264 -7.335 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.462 -12.845 -3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.304 -12.963 -7.568 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.472 -11.747 -5.596 1.00 0.00 H new ATOM 967 N GLU A 66 -5.149 -17.648 -7.016 1.00 0.00 N ATOM 968 CA GLU A 66 -4.077 -17.401 -7.973 1.00 0.00 C ATOM 969 C GLU A 66 -4.294 -16.081 -8.705 1.00 0.00 C ATOM 970 O GLU A 66 -4.948 -16.020 -9.747 1.00 0.00 O ATOM 971 CB GLU A 66 -3.989 -18.549 -8.981 1.00 0.00 C ATOM 972 CG GLU A 66 -3.643 -19.888 -8.352 1.00 0.00 C ATOM 973 CD GLU A 66 -3.458 -20.986 -9.381 1.00 0.00 C ATOM 974 OE1 GLU A 66 -2.642 -20.800 -10.307 1.00 0.00 O ATOM 975 OE2 GLU A 66 -4.131 -22.031 -9.259 1.00 0.00 O ATOM 0 H GLU A 66 -6.032 -17.937 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.139 -17.339 -7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.942 -18.638 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.237 -18.305 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.729 -19.785 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.434 -20.175 -7.659 1.00 0.00 H new ATOM 982 N PRO A 67 -3.733 -14.997 -8.149 1.00 0.00 N ATOM 983 CA PRO A 67 -3.851 -13.657 -8.732 1.00 0.00 C ATOM 984 C PRO A 67 -3.064 -13.519 -10.031 1.00 0.00 C ATOM 985 O PRO A 67 -2.180 -14.325 -10.321 1.00 0.00 O ATOM 986 CB PRO A 67 -3.263 -12.747 -7.651 1.00 0.00 C ATOM 987 CG PRO A 67 -2.331 -13.621 -6.886 1.00 0.00 C ATOM 988 CD PRO A 67 -2.940 -14.996 -6.909 1.00 0.00 C ATOM 0 HA PRO A 67 -4.881 -13.417 -8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.739 -11.898 -8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.044 -12.341 -7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.340 -13.626 -7.339 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.212 -13.264 -5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.176 -15.774 -6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.564 -15.174 -6.033 1.00 0.00 H new ATOM 996 N SER A 68 -3.391 -12.491 -10.809 1.00 0.00 N ATOM 997 CA SER A 68 -2.717 -12.250 -12.079 1.00 0.00 C ATOM 998 C SER A 68 -1.348 -11.614 -11.855 1.00 0.00 C ATOM 999 O SER A 68 -1.029 -11.171 -10.752 1.00 0.00 O ATOM 1000 CB SER A 68 -3.571 -11.346 -12.970 1.00 0.00 C ATOM 1001 OG SER A 68 -3.102 -11.358 -14.308 1.00 0.00 O ATOM 0 H SER A 68 -4.118 -11.813 -10.582 1.00 0.00 H new ATOM 0 HA SER A 68 -2.576 -13.210 -12.575 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.609 -11.678 -12.942 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.552 -10.327 -12.584 1.00 0.00 H new ATOM 0 HG SER A 68 -3.665 -10.774 -14.857 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.541 -11.575 -12.910 1.00 0.00 N ATOM 1008 CA LYS A 69 0.794 -10.993 -12.832 1.00 0.00 C ATOM 1009 C LYS A 69 0.719 -9.478 -12.674 1.00 0.00 C ATOM 1010 O LYS A 69 1.495 -8.882 -11.926 1.00 0.00 O ATOM 1011 CB LYS A 69 1.601 -11.347 -14.083 1.00 0.00 C ATOM 1012 CG LYS A 69 2.360 -12.657 -13.967 1.00 0.00 C ATOM 1013 CD LYS A 69 1.483 -13.845 -14.325 1.00 0.00 C ATOM 1014 CE LYS A 69 2.316 -15.059 -14.704 1.00 0.00 C ATOM 1015 NZ LYS A 69 2.998 -15.655 -13.522 1.00 0.00 N ATOM 0 H LYS A 69 -0.788 -11.940 -13.830 1.00 0.00 H new ATOM 0 HA LYS A 69 1.293 -11.407 -11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.926 -11.402 -14.937 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.309 -10.544 -14.288 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.229 -12.634 -14.625 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.733 -12.773 -12.950 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.841 -14.093 -13.479 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.828 -13.578 -15.155 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.675 -15.808 -15.169 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.061 -14.771 -15.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.556 -16.480 -13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.629 -14.949 -13.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.287 -15.953 -12.825 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.220 -8.860 -13.382 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.399 -7.414 -13.319 1.00 0.00 C ATOM 1031 C LYS A 70 -0.503 -6.941 -11.872 1.00 0.00 C ATOM 1032 O LYS A 70 0.091 -5.931 -11.494 1.00 0.00 O ATOM 1033 CB LYS A 70 -1.652 -7.000 -14.093 1.00 0.00 C ATOM 1034 CG LYS A 70 -2.932 -7.617 -13.555 1.00 0.00 C ATOM 1035 CD LYS A 70 -3.997 -7.721 -14.633 1.00 0.00 C ATOM 1036 CE LYS A 70 -4.778 -6.422 -14.772 1.00 0.00 C ATOM 1037 NZ LYS A 70 -4.122 -5.481 -15.721 1.00 0.00 N ATOM 0 H LYS A 70 -0.869 -9.338 -14.007 1.00 0.00 H new ATOM 0 HA LYS A 70 0.473 -6.945 -13.774 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.743 -5.914 -14.066 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.533 -7.284 -15.139 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.719 -8.609 -13.156 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.308 -7.014 -12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.529 -7.969 -15.586 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.681 -8.534 -14.393 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.788 -6.641 -15.117 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.871 -5.947 -13.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.004 -4.554 -15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.190 -5.855 -15.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.713 -5.376 -16.570 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.261 -7.678 -11.067 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.441 -7.335 -9.661 1.00 0.00 C ATOM 1053 C LEU A 71 -0.099 -7.269 -8.939 1.00 0.00 C ATOM 1054 O LEU A 71 0.658 -8.239 -8.924 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.350 -8.359 -8.978 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.546 -8.184 -7.472 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.533 -7.061 -7.190 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.021 -9.485 -6.841 1.00 0.00 C ATOM 0 H LEU A 71 -1.760 -8.516 -11.364 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.908 -6.352 -9.610 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.328 -8.324 -9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.942 -9.354 -9.158 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.587 -7.918 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.660 -6.950 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.153 -6.129 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.494 -7.298 -7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.155 -9.342 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.969 -9.782 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.279 -10.265 -7.013 1.00 0.00 H new ATOM 1070 N PHE A 72 0.189 -6.118 -8.340 1.00 0.00 N ATOM 1071 CA PHE A 72 1.439 -5.925 -7.616 1.00 0.00 C ATOM 1072 C PHE A 72 1.307 -6.393 -6.169 1.00 0.00 C ATOM 1073 O PHE A 72 0.604 -5.778 -5.368 1.00 0.00 O ATOM 1074 CB PHE A 72 1.852 -4.452 -7.652 1.00 0.00 C ATOM 1075 CG PHE A 72 2.340 -3.999 -8.998 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.522 -4.496 -9.525 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.618 -3.077 -9.737 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.973 -4.081 -10.763 1.00 0.00 C ATOM 1079 CE2 PHE A 72 2.064 -2.657 -10.976 1.00 0.00 C ATOM 1080 CZ PHE A 72 3.243 -3.161 -11.490 1.00 0.00 C ATOM 0 H PHE A 72 -0.427 -5.305 -8.342 1.00 0.00 H new ATOM 0 HA PHE A 72 2.209 -6.523 -8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.002 -3.837 -7.357 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.637 -4.285 -6.915 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.097 -5.216 -8.961 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.695 -2.681 -9.340 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.896 -4.476 -11.162 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.492 -1.936 -11.541 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.593 -2.836 -12.459 1.00 0.00 H new ATOM 1090 N VAL A 73 1.989 -7.486 -5.842 1.00 0.00 N ATOM 1091 CA VAL A 73 1.950 -8.037 -4.493 1.00 0.00 C ATOM 1092 C VAL A 73 3.168 -7.603 -3.686 1.00 0.00 C ATOM 1093 O VAL A 73 4.303 -7.936 -4.028 1.00 0.00 O ATOM 1094 CB VAL A 73 1.884 -9.576 -4.517 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.702 -10.124 -3.110 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.764 -10.047 -5.431 1.00 0.00 C ATOM 0 H VAL A 73 2.575 -8.008 -6.493 1.00 0.00 H new ATOM 0 HA VAL A 73 1.048 -7.650 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 73 2.826 -9.957 -4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.657 -11.212 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.542 -9.816 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.776 -9.737 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.732 -11.137 -5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.188 -9.658 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.944 -9.685 -6.443 1.00 0.00 H new ATOM 1106 N VAL A 74 2.926 -6.858 -2.612 1.00 0.00 N ATOM 1107 CA VAL A 74 4.003 -6.380 -1.755 1.00 0.00 C ATOM 1108 C VAL A 74 3.804 -6.839 -0.314 1.00 0.00 C ATOM 1109 O VAL A 74 2.844 -7.544 -0.003 1.00 0.00 O ATOM 1110 CB VAL A 74 4.103 -4.843 -1.783 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.561 -4.363 -3.152 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.768 -4.216 -1.408 1.00 0.00 C ATOM 0 H VAL A 74 1.993 -6.573 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 74 4.929 -6.804 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 74 4.845 -4.530 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.626 -3.275 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.540 -4.785 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.845 -4.685 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.856 -3.130 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.004 -4.534 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.486 -4.534 -0.404 1.00 0.00 H new ATOM 1122 N LYS A 75 4.717 -6.433 0.562 1.00 0.00 N ATOM 1123 CA LYS A 75 4.642 -6.800 1.971 1.00 0.00 C ATOM 1124 C LYS A 75 3.747 -5.833 2.738 1.00 0.00 C ATOM 1125 O LYS A 75 3.144 -4.934 2.152 1.00 0.00 O ATOM 1126 CB LYS A 75 6.042 -6.816 2.590 1.00 0.00 C ATOM 1127 CG LYS A 75 6.936 -7.916 2.044 1.00 0.00 C ATOM 1128 CD LYS A 75 8.406 -7.562 2.187 1.00 0.00 C ATOM 1129 CE LYS A 75 9.245 -8.216 1.100 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.637 -8.483 1.559 1.00 0.00 N ATOM 0 H LYS A 75 5.518 -5.849 0.321 1.00 0.00 H new ATOM 0 HA LYS A 75 4.210 -7.798 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.519 -5.852 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.951 -6.935 3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.732 -8.847 2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.703 -8.088 0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.527 -6.480 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.764 -7.880 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.778 -9.152 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.270 -7.570 0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.177 -8.929 0.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.092 -7.587 1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.615 -9.120 2.381 1.00 0.00 H new ATOM 1144 N GLN A 76 3.666 -6.023 4.051 1.00 0.00 N ATOM 1145 CA GLN A 76 2.844 -5.166 4.897 1.00 0.00 C ATOM 1146 C GLN A 76 3.499 -3.803 5.091 1.00 0.00 C ATOM 1147 O GLN A 76 2.815 -2.789 5.227 1.00 0.00 O ATOM 1148 CB GLN A 76 2.609 -5.830 6.256 1.00 0.00 C ATOM 1149 CG GLN A 76 3.887 -6.085 7.037 1.00 0.00 C ATOM 1150 CD GLN A 76 4.511 -7.428 6.712 1.00 0.00 C ATOM 1151 OE1 GLN A 76 5.513 -7.504 6.000 1.00 0.00 O ATOM 1152 NE2 GLN A 76 3.922 -8.497 7.235 1.00 0.00 N ATOM 0 H GLN A 76 4.159 -6.762 4.552 1.00 0.00 H new ATOM 0 HA GLN A 76 1.885 -5.020 4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.950 -5.198 6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.091 -6.777 6.104 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.604 -5.293 6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.672 -6.037 8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.093 -8.388 7.820 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.298 -9.427 7.052 1.00 0.00 H new ATOM 1161 N GLU A 77 4.828 -3.787 5.103 1.00 0.00 N ATOM 1162 CA GLU A 77 5.575 -2.547 5.281 1.00 0.00 C ATOM 1163 C GLU A 77 5.166 -1.511 4.238 1.00 0.00 C ATOM 1164 O GLU A 77 4.891 -0.357 4.568 1.00 0.00 O ATOM 1165 CB GLU A 77 7.079 -2.814 5.190 1.00 0.00 C ATOM 1166 CG GLU A 77 7.932 -1.674 5.719 1.00 0.00 C ATOM 1167 CD GLU A 77 7.723 -1.428 7.201 1.00 0.00 C ATOM 1168 OE1 GLU A 77 8.402 -2.089 8.014 1.00 0.00 O ATOM 1169 OE2 GLU A 77 6.881 -0.574 7.547 1.00 0.00 O ATOM 0 H GLU A 77 5.409 -4.618 4.992 1.00 0.00 H new ATOM 0 HA GLU A 77 5.343 -2.152 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.313 -3.721 5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.344 -3.002 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.983 -1.897 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.698 -0.764 5.167 1.00 0.00 H new ATOM 1176 N TRP A 78 5.130 -1.931 2.979 1.00 0.00 N ATOM 1177 CA TRP A 78 4.756 -1.040 1.887 1.00 0.00 C ATOM 1178 C TRP A 78 3.565 -0.170 2.277 1.00 0.00 C ATOM 1179 O TRP A 78 3.659 1.057 2.292 1.00 0.00 O ATOM 1180 CB TRP A 78 4.422 -1.849 0.632 1.00 0.00 C ATOM 1181 CG TRP A 78 4.203 -0.998 -0.582 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.120 -0.696 -1.548 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.989 -0.340 -0.959 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.550 0.111 -2.502 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.243 0.343 -2.165 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.712 -0.263 -0.397 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.266 1.093 -2.815 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.744 0.483 -1.043 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.025 1.152 -2.242 1.00 0.00 C ATOM 0 H TRP A 78 5.355 -2.883 2.689 1.00 0.00 H new ATOM 0 HA TRP A 78 5.605 -0.389 1.676 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.233 -2.550 0.434 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.526 -2.442 0.818 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.143 -1.041 -1.560 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.023 0.478 -3.328 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.485 -0.777 0.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.480 1.610 -3.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.246 0.551 -0.616 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.247 1.725 -2.723 1.00 0.00 H new ATOM 1200 N PHE A 79 2.446 -0.814 2.592 1.00 0.00 N ATOM 1201 CA PHE A 79 1.237 -0.098 2.982 1.00 0.00 C ATOM 1202 C PHE A 79 1.539 0.928 4.070 1.00 0.00 C ATOM 1203 O PHE A 79 1.129 2.085 3.978 1.00 0.00 O ATOM 1204 CB PHE A 79 0.173 -1.082 3.473 1.00 0.00 C ATOM 1205 CG PHE A 79 -0.873 -0.448 4.345 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -2.023 0.090 3.791 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -0.705 -0.390 5.719 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -2.986 0.675 4.591 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -1.665 0.193 6.525 1.00 0.00 C ATOM 1210 CZ PHE A 79 -2.808 0.726 5.960 1.00 0.00 C ATOM 0 H PHE A 79 2.351 -1.830 2.585 1.00 0.00 H new ATOM 0 HA PHE A 79 0.858 0.429 2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.313 -1.540 2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.660 -1.884 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.169 0.052 2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.186 -0.805 6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.877 1.092 4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.522 0.232 7.595 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.560 1.181 6.587 1.00 0.00 H new ATOM 1220 N TRP A 80 2.257 0.494 5.100 1.00 0.00 N ATOM 1221 CA TRP A 80 2.614 1.374 6.207 1.00 0.00 C ATOM 1222 C TRP A 80 3.455 2.549 5.719 1.00 0.00 C ATOM 1223 O TRP A 80 3.019 3.699 5.768 1.00 0.00 O ATOM 1224 CB TRP A 80 3.377 0.595 7.279 1.00 0.00 C ATOM 1225 CG TRP A 80 2.517 -0.372 8.036 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.651 -1.730 8.076 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.390 -0.053 8.859 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.675 -2.275 8.875 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.889 -1.268 9.368 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.756 1.140 9.218 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.215 -1.321 10.214 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.340 1.085 10.058 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -0.816 -0.138 10.549 1.00 0.00 C ATOM 0 H TRP A 80 2.603 -0.461 5.192 1.00 0.00 H new ATOM 0 HA TRP A 80 1.693 1.765 6.639 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.196 0.051 6.809 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.824 1.299 7.981 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.412 -2.293 7.556 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.555 -3.269 9.069 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.116 2.088 8.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.584 -2.263 10.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.838 2.000 10.341 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.674 -0.147 11.205 1.00 0.00 H new ATOM 1244 N GLY A 81 4.662 2.252 5.249 1.00 0.00 N ATOM 1245 CA GLY A 81 5.544 3.295 4.759 1.00 0.00 C ATOM 1246 C GLY A 81 4.806 4.354 3.965 1.00 0.00 C ATOM 1247 O GLY A 81 4.690 5.499 4.402 1.00 0.00 O ATOM 0 H GLY A 81 5.045 1.308 5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.050 3.765 5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.316 2.849 4.133 1.00 0.00 H new ATOM 1251 N SER A 82 4.305 3.972 2.794 1.00 0.00 N ATOM 1252 CA SER A 82 3.579 4.899 1.935 1.00 0.00 C ATOM 1253 C SER A 82 2.725 5.854 2.764 1.00 0.00 C ATOM 1254 O SER A 82 2.608 7.036 2.443 1.00 0.00 O ATOM 1255 CB SER A 82 2.694 4.129 0.952 1.00 0.00 C ATOM 1256 OG SER A 82 3.464 3.579 -0.104 1.00 0.00 O ATOM 0 H SER A 82 4.389 3.027 2.419 1.00 0.00 H new ATOM 0 HA SER A 82 4.309 5.484 1.376 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.170 3.331 1.478 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.934 4.795 0.544 1.00 0.00 H new ATOM 0 HG SER A 82 2.876 3.091 -0.718 1.00 0.00 H new ATOM 1262 N ILE A 83 2.132 5.331 3.832 1.00 0.00 N ATOM 1263 CA ILE A 83 1.290 6.136 4.708 1.00 0.00 C ATOM 1264 C ILE A 83 2.133 7.039 5.602 1.00 0.00 C ATOM 1265 O ILE A 83 1.800 8.206 5.812 1.00 0.00 O ATOM 1266 CB ILE A 83 0.391 5.252 5.593 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.510 4.372 4.724 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.444 6.115 6.527 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.938 3.090 5.402 1.00 0.00 C ATOM 0 H ILE A 83 2.219 4.354 4.111 1.00 0.00 H new ATOM 0 HA ILE A 83 0.661 6.750 4.064 1.00 0.00 H new ATOM 0 HB ILE A 83 1.025 4.604 6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.398 4.939 4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.016 4.127 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.074 5.477 7.146 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.215 6.703 7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.072 6.785 5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.574 2.517 4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.057 2.502 5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.492 3.326 6.310 1.00 0.00 H new ATOM 1281 N GLN A 84 3.226 6.493 6.124 1.00 0.00 N ATOM 1282 CA GLN A 84 4.118 7.251 6.994 1.00 0.00 C ATOM 1283 C GLN A 84 4.752 8.416 6.242 1.00 0.00 C ATOM 1284 O GLN A 84 4.868 9.520 6.772 1.00 0.00 O ATOM 1285 CB GLN A 84 5.208 6.339 7.561 1.00 0.00 C ATOM 1286 CG GLN A 84 5.829 6.861 8.846 1.00 0.00 C ATOM 1287 CD GLN A 84 4.929 6.668 10.050 1.00 0.00 C ATOM 1288 OE1 GLN A 84 3.748 6.346 9.912 1.00 0.00 O ATOM 1289 NE2 GLN A 84 5.483 6.863 11.241 1.00 0.00 N ATOM 0 H GLN A 84 3.516 5.529 5.960 1.00 0.00 H new ATOM 0 HA GLN A 84 3.527 7.653 7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.784 5.352 7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.991 6.214 6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.777 6.351 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.054 7.921 8.732 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.465 7.129 11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.926 6.747 12.088 1.00 0.00 H new ATOM 1298 N MET A 85 5.163 8.161 5.004 1.00 0.00 N ATOM 1299 CA MET A 85 5.786 9.189 4.178 1.00 0.00 C ATOM 1300 C MET A 85 4.779 9.783 3.199 1.00 0.00 C ATOM 1301 O MET A 85 5.098 10.707 2.450 1.00 0.00 O ATOM 1302 CB MET A 85 6.977 8.608 3.414 1.00 0.00 C ATOM 1303 CG MET A 85 6.597 7.495 2.451 1.00 0.00 C ATOM 1304 SD MET A 85 7.995 6.443 2.018 1.00 0.00 S ATOM 1305 CE MET A 85 7.283 5.457 0.703 1.00 0.00 C ATOM 0 H MET A 85 5.076 7.251 4.551 1.00 0.00 H new ATOM 0 HA MET A 85 6.139 9.984 4.835 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.466 9.407 2.858 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.705 8.226 4.129 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.813 6.884 2.899 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.181 7.932 1.543 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.977 4.663 0.427 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.346 5.017 1.044 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.092 6.090 -0.164 1.00 0.00 H new ATOM 1315 N ASP A 86 3.563 9.247 3.209 1.00 0.00 N ATOM 1316 CA ASP A 86 2.510 9.726 2.321 1.00 0.00 C ATOM 1317 C ASP A 86 3.000 9.784 0.878 1.00 0.00 C ATOM 1318 O ASP A 86 2.727 10.744 0.158 1.00 0.00 O ATOM 1319 CB ASP A 86 2.027 11.107 2.766 1.00 0.00 C ATOM 1320 CG ASP A 86 1.608 11.133 4.223 1.00 0.00 C ATOM 1321 OD1 ASP A 86 2.398 10.676 5.075 1.00 0.00 O ATOM 1322 OD2 ASP A 86 0.490 11.610 4.511 1.00 0.00 O ATOM 0 H ASP A 86 3.282 8.481 3.822 1.00 0.00 H new ATOM 0 HA ASP A 86 1.677 9.025 2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.822 11.835 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.186 11.412 2.144 1.00 0.00 H new ATOM 1327 N ALA A 87 3.726 8.752 0.462 1.00 0.00 N ATOM 1328 CA ALA A 87 4.253 8.685 -0.895 1.00 0.00 C ATOM 1329 C ALA A 87 4.300 7.246 -1.396 1.00 0.00 C ATOM 1330 O ALA A 87 4.847 6.365 -0.732 1.00 0.00 O ATOM 1331 CB ALA A 87 5.639 9.312 -0.953 1.00 0.00 C ATOM 0 H ALA A 87 3.963 7.950 1.046 1.00 0.00 H new ATOM 0 HA ALA A 87 3.584 9.246 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.022 9.256 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.579 10.356 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.310 8.774 -0.283 1.00 0.00 H new ATOM 1337 N ARG A 88 3.722 7.014 -2.570 1.00 0.00 N ATOM 1338 CA ARG A 88 3.697 5.681 -3.159 1.00 0.00 C ATOM 1339 C ARG A 88 5.112 5.153 -3.372 1.00 0.00 C ATOM 1340 O ARG A 88 5.799 5.551 -4.313 1.00 0.00 O ATOM 1341 CB ARG A 88 2.943 5.703 -4.490 1.00 0.00 C ATOM 1342 CG ARG A 88 2.782 4.329 -5.121 1.00 0.00 C ATOM 1343 CD ARG A 88 1.587 4.285 -6.062 1.00 0.00 C ATOM 1344 NE ARG A 88 1.702 3.208 -7.042 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.531 3.243 -8.079 1.00 0.00 C ATOM 1346 NH1 ARG A 88 3.315 4.295 -8.270 1.00 0.00 N ATOM 1347 NH2 ARG A 88 2.578 2.224 -8.927 1.00 0.00 N ATOM 0 H ARG A 88 3.265 7.732 -3.132 1.00 0.00 H new ATOM 0 HA ARG A 88 3.181 5.015 -2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.957 6.139 -4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.471 6.354 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.688 4.071 -5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.658 3.580 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.674 4.152 -5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.499 5.240 -6.581 1.00 0.00 H new ATOM 0 HE ARG A 88 1.113 2.384 -6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.282 5.080 -7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.951 4.319 -9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.977 1.413 -8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.215 2.252 -9.723 1.00 0.00 H new ATOM 1361 N ALA A 89 5.542 4.255 -2.492 1.00 0.00 N ATOM 1362 CA ALA A 89 6.875 3.672 -2.585 1.00 0.00 C ATOM 1363 C ALA A 89 6.959 2.674 -3.735 1.00 0.00 C ATOM 1364 O ALA A 89 5.985 2.459 -4.455 1.00 0.00 O ATOM 1365 CB ALA A 89 7.250 3.001 -1.272 1.00 0.00 C ATOM 0 H ALA A 89 4.987 3.915 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 89 7.583 4.476 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.248 2.570 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.240 3.739 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.532 2.212 -1.048 1.00 0.00 H new ATOM 1371 N GLY A 90 8.130 2.067 -3.901 1.00 0.00 N ATOM 1372 CA GLY A 90 8.319 1.099 -4.966 1.00 0.00 C ATOM 1373 C GLY A 90 7.972 -0.312 -4.535 1.00 0.00 C ATOM 1374 O GLY A 90 8.391 -0.763 -3.470 1.00 0.00 O ATOM 0 H GLY A 90 8.951 2.228 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.701 1.377 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.356 1.129 -5.300 1.00 0.00 H new ATOM 1378 N GLU A 91 7.203 -1.010 -5.365 1.00 0.00 N ATOM 1379 CA GLU A 91 6.798 -2.378 -5.062 1.00 0.00 C ATOM 1380 C GLU A 91 8.003 -3.314 -5.059 1.00 0.00 C ATOM 1381 O GLU A 91 8.117 -4.197 -4.208 1.00 0.00 O ATOM 1382 CB GLU A 91 5.763 -2.864 -6.078 1.00 0.00 C ATOM 1383 CG GLU A 91 4.554 -1.951 -6.200 1.00 0.00 C ATOM 1384 CD GLU A 91 4.821 -0.743 -7.077 1.00 0.00 C ATOM 1385 OE1 GLU A 91 5.478 -0.907 -8.126 1.00 0.00 O ATOM 1386 OE2 GLU A 91 4.374 0.365 -6.715 1.00 0.00 O ATOM 0 H GLU A 91 6.848 -0.651 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 91 6.351 -2.386 -4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.239 -2.954 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.427 -3.861 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.717 -2.516 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.255 -1.615 -5.207 1.00 0.00 H new ATOM 1393 N THR A 92 8.901 -3.116 -6.020 1.00 0.00 N ATOM 1394 CA THR A 92 10.096 -3.943 -6.131 1.00 0.00 C ATOM 1395 C THR A 92 10.901 -3.922 -4.836 1.00 0.00 C ATOM 1396 O THR A 92 11.804 -4.735 -4.643 1.00 0.00 O ATOM 1397 CB THR A 92 10.997 -3.474 -7.289 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.229 -3.361 -8.492 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.148 -4.445 -7.506 1.00 0.00 C ATOM 0 H THR A 92 8.823 -2.390 -6.732 1.00 0.00 H new ATOM 0 HA THR A 92 9.760 -4.960 -6.330 1.00 0.00 H new ATOM 0 HB THR A 92 11.409 -2.499 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.808 -3.061 -9.223 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.771 -4.093 -8.329 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.748 -4.507 -6.598 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.751 -5.431 -7.747 1.00 0.00 H new ATOM 1407 N MET A 93 10.566 -2.989 -3.951 1.00 0.00 N ATOM 1408 CA MET A 93 11.257 -2.865 -2.673 1.00 0.00 C ATOM 1409 C MET A 93 10.569 -3.702 -1.599 1.00 0.00 C ATOM 1410 O MET A 93 11.177 -4.056 -0.589 1.00 0.00 O ATOM 1411 CB MET A 93 11.311 -1.399 -2.238 1.00 0.00 C ATOM 1412 CG MET A 93 12.498 -0.639 -2.807 1.00 0.00 C ATOM 1413 SD MET A 93 12.218 -0.081 -4.499 1.00 0.00 S ATOM 1414 CE MET A 93 11.948 1.670 -4.237 1.00 0.00 C ATOM 0 H MET A 93 9.821 -2.308 -4.095 1.00 0.00 H new ATOM 0 HA MET A 93 12.274 -3.236 -2.801 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.391 -0.903 -2.547 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.348 -1.353 -1.150 1.00 0.00 H new ATOM 0 HG2 MET A 93 12.710 0.223 -2.174 1.00 0.00 H new ATOM 0 HG3 MET A 93 13.380 -1.278 -2.781 1.00 0.00 H new ATOM 0 HE1 MET A 93 11.760 2.156 -5.194 1.00 0.00 H new ATOM 0 HE2 MET A 93 11.087 1.812 -3.583 1.00 0.00 H new ATOM 0 HE3 MET A 93 12.832 2.109 -3.774 1.00 0.00 H new ATOM 1424 N TYR A 94 9.297 -4.014 -1.824 1.00 0.00 N ATOM 1425 CA TYR A 94 8.525 -4.806 -0.874 1.00 0.00 C ATOM 1426 C TYR A 94 7.818 -5.961 -1.577 1.00 0.00 C ATOM 1427 O TYR A 94 6.934 -6.602 -1.007 1.00 0.00 O ATOM 1428 CB TYR A 94 7.501 -3.926 -0.157 1.00 0.00 C ATOM 1429 CG TYR A 94 8.086 -2.648 0.402 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.316 -1.550 -0.417 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.409 -2.540 1.749 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.851 -0.381 0.089 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.943 -1.375 2.264 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.162 -0.298 1.430 1.00 0.00 C ATOM 1435 OH TYR A 94 9.695 0.864 1.939 1.00 0.00 O ATOM 0 H TYR A 94 8.779 -3.730 -2.656 1.00 0.00 H new ATOM 0 HA TYR A 94 9.215 -5.220 -0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.700 -3.675 -0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.051 -4.496 0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.072 -1.611 -1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.240 -3.381 2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.025 0.463 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.188 -1.307 3.314 1.00 0.00 H new ATOM 0 HH TYR A 94 9.855 0.757 2.900 1.00 0.00 H new ATOM 1445 N LEU A 95 8.213 -6.221 -2.818 1.00 0.00 N ATOM 1446 CA LEU A 95 7.618 -7.299 -3.600 1.00 0.00 C ATOM 1447 C LEU A 95 7.671 -8.619 -2.837 1.00 0.00 C ATOM 1448 O LEU A 95 8.746 -9.091 -2.466 1.00 0.00 O ATOM 1449 CB LEU A 95 8.342 -7.443 -4.940 1.00 0.00 C ATOM 1450 CG LEU A 95 7.773 -6.625 -6.101 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.486 -6.972 -7.398 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.275 -6.859 -6.234 1.00 0.00 C ATOM 0 H LEU A 95 8.943 -5.700 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 95 6.573 -7.048 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.385 -7.160 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.333 -8.495 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 95 7.938 -5.568 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.068 -6.381 -8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.549 -6.753 -7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.353 -8.032 -7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.887 -6.269 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.087 -7.916 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.777 -6.559 -5.312 1.00 0.00 H new ATOM 1464 N TYR A 96 6.504 -9.211 -2.608 1.00 0.00 N ATOM 1465 CA TYR A 96 6.417 -10.476 -1.889 1.00 0.00 C ATOM 1466 C TYR A 96 6.981 -11.619 -2.728 1.00 0.00 C ATOM 1467 O TYR A 96 6.267 -12.229 -3.524 1.00 0.00 O ATOM 1468 CB TYR A 96 4.965 -10.774 -1.511 1.00 0.00 C ATOM 1469 CG TYR A 96 4.785 -12.091 -0.791 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.688 -12.502 0.182 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.712 -12.924 -1.083 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.527 -13.705 0.843 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.543 -14.128 -0.426 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.453 -14.514 0.535 1.00 0.00 C ATOM 1475 OH TYR A 96 4.289 -15.713 1.191 1.00 0.00 O ATOM 0 H TYR A 96 5.605 -8.835 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 96 7.011 -10.389 -0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.591 -9.969 -0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.356 -10.778 -2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.530 -11.871 0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.998 -12.625 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.238 -14.010 1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.703 -14.763 -0.664 1.00 0.00 H new ATOM 0 HH TYR A 96 5.119 -16.232 1.137 1.00 0.00 H new ATOM 1485 N GLU A 97 8.266 -11.904 -2.542 1.00 0.00 N ATOM 1486 CA GLU A 97 8.926 -12.973 -3.282 1.00 0.00 C ATOM 1487 C GLU A 97 9.305 -14.123 -2.353 1.00 0.00 C ATOM 1488 O GLU A 97 10.369 -14.726 -2.496 1.00 0.00 O ATOM 1489 CB GLU A 97 10.174 -12.440 -3.988 1.00 0.00 C ATOM 1490 CG GLU A 97 9.870 -11.435 -5.086 1.00 0.00 C ATOM 1491 CD GLU A 97 11.115 -10.982 -5.824 1.00 0.00 C ATOM 1492 OE1 GLU A 97 11.955 -11.844 -6.156 1.00 0.00 O ATOM 1493 OE2 GLU A 97 11.248 -9.765 -6.069 1.00 0.00 O ATOM 0 H GLU A 97 8.870 -11.410 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 97 8.227 -13.348 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.827 -11.973 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.725 -13.278 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.172 -11.879 -5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.374 -10.567 -4.652 1.00 0.00 H new ATOM 1500 N LYS A 98 8.428 -14.421 -1.401 1.00 0.00 N ATOM 1501 CA LYS A 98 8.668 -15.498 -0.448 1.00 0.00 C ATOM 1502 C LYS A 98 7.452 -16.412 -0.342 1.00 0.00 C ATOM 1503 O LYS A 98 7.150 -16.938 0.729 1.00 0.00 O ATOM 1504 CB LYS A 98 9.008 -14.922 0.929 1.00 0.00 C ATOM 1505 CG LYS A 98 10.318 -14.154 0.960 1.00 0.00 C ATOM 1506 CD LYS A 98 10.547 -13.496 2.311 1.00 0.00 C ATOM 1507 CE LYS A 98 9.828 -12.159 2.408 1.00 0.00 C ATOM 1508 NZ LYS A 98 9.871 -11.605 3.790 1.00 0.00 N ATOM 0 H LYS A 98 7.543 -13.931 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 98 9.512 -16.086 -0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.201 -14.261 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.056 -15.736 1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.143 -14.831 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.313 -13.393 0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.196 -14.157 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.615 -13.348 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.285 -11.450 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.790 -12.281 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.055 -10.977 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.837 -12.384 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.751 -11.066 3.921 1.00 0.00 H new ATOM 1522 N ALA A 99 6.759 -16.599 -1.460 1.00 0.00 N ATOM 1523 CA ALA A 99 5.578 -17.452 -1.493 1.00 0.00 C ATOM 1524 C ALA A 99 5.797 -18.657 -2.402 1.00 0.00 C ATOM 1525 O ALA A 99 6.064 -18.508 -3.593 1.00 0.00 O ATOM 1526 CB ALA A 99 4.364 -16.657 -1.952 1.00 0.00 C ATOM 0 H ALA A 99 6.995 -16.171 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 99 5.397 -17.819 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.489 -17.307 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.187 -15.832 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.545 -16.262 -2.952 1.00 0.00 H new ATOM 1532 N ASN A 100 5.682 -19.852 -1.830 1.00 0.00 N ATOM 1533 CA ASN A 100 5.869 -21.083 -2.589 1.00 0.00 C ATOM 1534 C ASN A 100 4.895 -21.153 -3.761 1.00 0.00 C ATOM 1535 O ASN A 100 3.679 -21.099 -3.577 1.00 0.00 O ATOM 1536 CB ASN A 100 5.681 -22.300 -1.681 1.00 0.00 C ATOM 1537 CG ASN A 100 6.536 -22.227 -0.431 1.00 0.00 C ATOM 1538 OD1 ASN A 100 6.255 -21.452 0.483 1.00 0.00 O ATOM 1539 ND2 ASN A 100 7.588 -23.036 -0.386 1.00 0.00 N ATOM 0 H ASN A 100 5.460 -19.993 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 100 6.885 -21.086 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.632 -22.378 -1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.929 -23.205 -2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.201 -23.031 0.429 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.783 -23.663 -1.167 1.00 0.00 H new ATOM 1546 N THR A 101 5.438 -21.275 -4.968 1.00 0.00 N ATOM 1547 CA THR A 101 4.618 -21.353 -6.171 1.00 0.00 C ATOM 1548 C THR A 101 4.835 -22.674 -6.900 1.00 0.00 C ATOM 1549 O THR A 101 5.932 -23.232 -6.911 1.00 0.00 O ATOM 1550 CB THR A 101 4.924 -20.191 -7.135 1.00 0.00 C ATOM 1551 OG1 THR A 101 6.315 -20.192 -7.478 1.00 0.00 O ATOM 1552 CG2 THR A 101 4.552 -18.855 -6.509 1.00 0.00 C ATOM 0 H THR A 101 6.443 -21.322 -5.139 1.00 0.00 H new ATOM 0 HA THR A 101 3.579 -21.285 -5.850 1.00 0.00 H new ATOM 0 HB THR A 101 4.327 -20.330 -8.037 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.501 -19.451 -8.092 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.777 -18.050 -7.209 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.487 -18.846 -6.276 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.125 -18.710 -5.593 1.00 0.00 H new ATOM 1560 N PRO A 102 3.765 -23.187 -7.526 1.00 0.00 N ATOM 1561 CA PRO A 102 3.814 -24.448 -8.271 1.00 0.00 C ATOM 1562 C PRO A 102 4.632 -24.333 -9.553 1.00 0.00 C ATOM 1563 O PRO A 102 4.775 -25.303 -10.297 1.00 0.00 O ATOM 1564 CB PRO A 102 2.345 -24.725 -8.598 1.00 0.00 C ATOM 1565 CG PRO A 102 1.697 -23.383 -8.593 1.00 0.00 C ATOM 1566 CD PRO A 102 2.426 -22.575 -7.556 1.00 0.00 C ATOM 0 HA PRO A 102 4.294 -25.241 -7.698 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.240 -25.212 -9.568 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.893 -25.386 -7.859 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.766 -22.913 -9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.637 -23.462 -8.352 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.472 -21.520 -7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.936 -22.633 -6.584 1.00 0.00 H new ATOM 1574 N GLU A 103 5.167 -23.142 -9.804 1.00 0.00 N ATOM 1575 CA GLU A 103 5.970 -22.902 -10.997 1.00 0.00 C ATOM 1576 C GLU A 103 7.450 -23.142 -10.714 1.00 0.00 C ATOM 1577 O GLU A 103 8.145 -23.793 -11.494 1.00 0.00 O ATOM 1578 CB GLU A 103 5.761 -21.472 -11.500 1.00 0.00 C ATOM 1579 CG GLU A 103 4.385 -21.233 -12.099 1.00 0.00 C ATOM 1580 CD GLU A 103 4.175 -21.987 -13.398 1.00 0.00 C ATOM 1581 OE1 GLU A 103 4.866 -21.666 -14.388 1.00 0.00 O ATOM 1582 OE2 GLU A 103 3.321 -22.897 -13.425 1.00 0.00 O ATOM 0 H GLU A 103 5.059 -22.329 -9.197 1.00 0.00 H new ATOM 0 HA GLU A 103 5.647 -23.602 -11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.913 -20.779 -10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.519 -21.245 -12.250 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.623 -21.535 -11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.251 -20.166 -12.277 1.00 0.00 H new ATOM 1589 N SER A 104 7.925 -22.610 -9.592 1.00 0.00 N ATOM 1590 CA SER A 104 9.324 -22.761 -9.207 1.00 0.00 C ATOM 1591 C SER A 104 9.798 -24.194 -9.435 1.00 0.00 C ATOM 1592 O SER A 104 9.249 -25.139 -8.870 1.00 0.00 O ATOM 1593 CB SER A 104 9.515 -22.377 -7.738 1.00 0.00 C ATOM 1594 OG SER A 104 10.840 -22.638 -7.311 1.00 0.00 O ATOM 0 H SER A 104 7.362 -22.071 -8.934 1.00 0.00 H new ATOM 0 HA SER A 104 9.921 -22.095 -9.830 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.288 -21.320 -7.603 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.813 -22.936 -7.119 1.00 0.00 H new ATOM 0 HG SER A 104 10.937 -22.383 -6.370 1.00 0.00 H new ATOM 1600 N GLY A 105 10.822 -24.346 -10.269 1.00 0.00 N ATOM 1601 CA GLY A 105 11.354 -25.664 -10.558 1.00 0.00 C ATOM 1602 C GLY A 105 12.815 -25.625 -10.961 1.00 0.00 C ATOM 1603 O GLY A 105 13.153 -25.552 -12.143 1.00 0.00 O ATOM 0 H GLY A 105 11.293 -23.579 -10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.240 -26.299 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.772 -26.120 -11.359 1.00 0.00 H new ATOM 1607 N PRO A 106 13.709 -25.672 -9.963 1.00 0.00 N ATOM 1608 CA PRO A 106 15.156 -25.642 -10.195 1.00 0.00 C ATOM 1609 C PRO A 106 15.667 -26.924 -10.845 1.00 0.00 C ATOM 1610 O PRO A 106 15.792 -27.957 -10.187 1.00 0.00 O ATOM 1611 CB PRO A 106 15.738 -25.487 -8.788 1.00 0.00 C ATOM 1612 CG PRO A 106 14.701 -26.059 -7.885 1.00 0.00 C ATOM 1613 CD PRO A 106 13.377 -25.760 -8.531 1.00 0.00 C ATOM 0 HA PRO A 106 15.442 -24.844 -10.880 1.00 0.00 H new ATOM 0 HB2 PRO A 106 16.685 -26.018 -8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 106 15.934 -24.441 -8.553 1.00 0.00 H new ATOM 0 HG2 PRO A 106 14.841 -27.133 -7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 106 14.760 -25.613 -6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 106 12.648 -26.546 -8.335 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.950 -24.829 -8.159 1.00 0.00 H new ATOM 1621 N SER A 107 15.960 -26.850 -12.139 1.00 0.00 N ATOM 1622 CA SER A 107 16.454 -28.006 -12.878 1.00 0.00 C ATOM 1623 C SER A 107 15.722 -29.276 -12.453 1.00 0.00 C ATOM 1624 O SER A 107 16.329 -30.338 -12.314 1.00 0.00 O ATOM 1625 CB SER A 107 17.959 -28.173 -12.659 1.00 0.00 C ATOM 1626 OG SER A 107 18.235 -28.631 -11.347 1.00 0.00 O ATOM 0 H SER A 107 15.864 -26.002 -12.697 1.00 0.00 H new ATOM 0 HA SER A 107 16.265 -27.836 -13.938 1.00 0.00 H new ATOM 0 HB2 SER A 107 18.359 -28.880 -13.386 1.00 0.00 H new ATOM 0 HB3 SER A 107 18.462 -27.221 -12.829 1.00 0.00 H new ATOM 0 HG SER A 107 17.431 -28.542 -10.794 1.00 0.00 H new ATOM 1632 N SER A 108 14.415 -29.157 -12.247 1.00 0.00 N ATOM 1633 CA SER A 108 13.599 -30.293 -11.833 1.00 0.00 C ATOM 1634 C SER A 108 12.688 -30.749 -12.968 1.00 0.00 C ATOM 1635 O SER A 108 11.926 -29.959 -13.523 1.00 0.00 O ATOM 1636 CB SER A 108 12.761 -29.927 -10.607 1.00 0.00 C ATOM 1637 OG SER A 108 13.588 -29.636 -9.493 1.00 0.00 O ATOM 0 H SER A 108 13.898 -28.285 -12.360 1.00 0.00 H new ATOM 0 HA SER A 108 14.268 -31.114 -11.575 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.135 -29.064 -10.835 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.091 -30.751 -10.361 1.00 0.00 H new ATOM 0 HG SER A 108 14.292 -29.010 -9.763 1.00 0.00 H new ATOM 1643 N GLY A 109 12.773 -32.032 -13.308 1.00 0.00 N ATOM 1644 CA GLY A 109 11.952 -32.573 -14.375 1.00 0.00 C ATOM 1645 C GLY A 109 12.434 -32.150 -15.749 1.00 0.00 C ATOM 1646 O GLY A 109 12.054 -31.091 -16.248 1.00 0.00 O ATOM 0 H GLY A 109 13.396 -32.706 -12.863 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.951 -33.661 -14.313 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.921 -32.245 -14.238 1.00 0.00 H new TER 1650 GLY A 109