USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 741 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 100 ASN : amide:sc= -0.929! C(o=-0.97!,f=-3.7!) USER MOD Set 1.2: A 102 THR OG1 : rot -105:sc= -0.0446! USER MOD Set 2.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 92 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3.1!) USER MOD Single : A 23 GLN : amide:sc= -2.35! C(o=-2.4!,f=-5.6!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0255 USER MOD Single : A 29 CYS SG : rot -127:sc= -0.631 USER MOD Single : A 34 SER OG : rot 180:sc= -0.116 USER MOD Single : A 39 ASN : amide:sc= -4.23! C(o=-4.2!,f=-15!) USER MOD Single : A 41 ASN : amide:sc= -4.86! C(o=-4.9!,f=-3.8!) USER MOD Single : A 42 MET CE :methyl 164:sc= -4.74 (180deg=-7.18!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -7.81! (180deg=-10.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0365 USER MOD Single : A 51 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.058) USER MOD Single : A 60 LYS NZ :NH3+ -146:sc= -0.541 (180deg=-2.78!) USER MOD Single : A 62 MET CE :methyl -119:sc= -3.42! (180deg=-7.73!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -15.9! C(o=-16!,f=-13!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 13:sc= -4.66! USER MOD Single : A 79 GLN : amide:sc= -8.47! C(o=-8.5!,f=-11!) USER MOD Single : A 82 SER OG : rot -150:sc= -1.56! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.46) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -148:sc= -0.332 (180deg=-2.97!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.2) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.293) USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= -0.0108 (180deg=-0.092) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 115 THR OG1 : rot -13:sc= 0.831 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 66.332 -4.705 -24.849 1.00 0.00 N ATOM 2 CA GLN A 23 65.013 -4.589 -24.162 1.00 0.00 C ATOM 3 C GLN A 23 65.216 -4.362 -22.661 1.00 0.00 C ATOM 4 O GLN A 23 65.180 -5.287 -21.873 1.00 0.00 O ATOM 5 CB GLN A 23 64.318 -5.928 -24.412 1.00 0.00 C ATOM 6 CG GLN A 23 62.918 -5.899 -23.796 1.00 0.00 C ATOM 7 CD GLN A 23 62.879 -6.814 -22.572 1.00 0.00 C ATOM 8 OE1 GLN A 23 63.904 -7.288 -22.120 1.00 0.00 O ATOM 9 NE2 GLN A 23 61.733 -7.086 -22.010 1.00 0.00 N ATOM 0 HA GLN A 23 64.426 -3.749 -24.533 1.00 0.00 H new ATOM 0 HB2 GLN A 23 64.252 -6.121 -25.483 1.00 0.00 H new ATOM 0 HB3 GLN A 23 64.902 -6.739 -23.977 1.00 0.00 H new ATOM 0 HG2 GLN A 23 62.656 -4.880 -23.510 1.00 0.00 H new ATOM 0 HG3 GLN A 23 62.180 -6.224 -24.529 1.00 0.00 H new ATOM 0 HE21 GLN A 23 60.873 -6.689 -22.388 1.00 0.00 H new ATOM 0 HE22 GLN A 23 61.698 -7.695 -21.193 1.00 0.00 H new ATOM 17 N GLN A 24 65.426 -3.139 -22.259 1.00 0.00 N ATOM 18 CA GLN A 24 65.628 -2.853 -20.809 1.00 0.00 C ATOM 19 C GLN A 24 64.613 -1.812 -20.330 1.00 0.00 C ATOM 20 O GLN A 24 64.225 -0.926 -21.067 1.00 0.00 O ATOM 21 CB GLN A 24 67.052 -2.304 -20.707 1.00 0.00 C ATOM 22 CG GLN A 24 67.181 -1.060 -21.587 1.00 0.00 C ATOM 23 CD GLN A 24 68.213 -1.320 -22.685 1.00 0.00 C ATOM 24 OE1 GLN A 24 67.867 -1.732 -23.775 1.00 0.00 O ATOM 25 NE2 GLN A 24 69.476 -1.095 -22.444 1.00 0.00 N ATOM 0 H GLN A 24 65.467 -2.324 -22.871 1.00 0.00 H new ATOM 0 HA GLN A 24 65.489 -3.739 -20.189 1.00 0.00 H new ATOM 0 HB2 GLN A 24 67.285 -2.056 -19.671 1.00 0.00 H new ATOM 0 HB3 GLN A 24 67.769 -3.062 -21.022 1.00 0.00 H new ATOM 0 HG2 GLN A 24 66.216 -0.813 -22.030 1.00 0.00 H new ATOM 0 HG3 GLN A 24 67.483 -0.204 -20.984 1.00 0.00 H new ATOM 0 HE21 GLN A 24 69.767 -0.749 -21.530 1.00 0.00 H new ATOM 0 HE22 GLN A 24 70.172 -1.265 -23.170 1.00 0.00 H new ATOM 34 N VAL A 25 64.179 -1.912 -19.103 1.00 0.00 N ATOM 35 CA VAL A 25 63.188 -0.925 -18.584 1.00 0.00 C ATOM 36 C VAL A 25 63.662 -0.349 -17.247 1.00 0.00 C ATOM 37 O VAL A 25 64.358 -0.999 -16.494 1.00 0.00 O ATOM 38 CB VAL A 25 61.897 -1.722 -18.398 1.00 0.00 C ATOM 39 CG1 VAL A 25 60.800 -0.799 -17.865 1.00 0.00 C ATOM 40 CG2 VAL A 25 61.462 -2.308 -19.743 1.00 0.00 C ATOM 0 H VAL A 25 64.466 -2.631 -18.439 1.00 0.00 H new ATOM 0 HA VAL A 25 63.053 -0.081 -19.261 1.00 0.00 H new ATOM 0 HB VAL A 25 62.068 -2.531 -17.687 1.00 0.00 H new ATOM 0 HG11 VAL A 25 59.879 -1.367 -17.732 1.00 0.00 H new ATOM 0 HG12 VAL A 25 61.110 -0.381 -16.907 1.00 0.00 H new ATOM 0 HG13 VAL A 25 60.628 0.010 -18.575 1.00 0.00 H new ATOM 0 HG21 VAL A 25 60.541 -2.877 -19.611 1.00 0.00 H new ATOM 0 HG22 VAL A 25 61.291 -1.500 -20.454 1.00 0.00 H new ATOM 0 HG23 VAL A 25 62.244 -2.966 -20.123 1.00 0.00 H new ATOM 50 N GLY A 26 63.293 0.868 -16.949 1.00 0.00 N ATOM 51 CA GLY A 26 63.727 1.481 -15.661 1.00 0.00 C ATOM 52 C GLY A 26 65.250 1.405 -15.552 1.00 0.00 C ATOM 53 O GLY A 26 65.967 1.865 -16.418 1.00 0.00 O ATOM 0 H GLY A 26 62.712 1.462 -17.540 1.00 0.00 H new ATOM 0 HA2 GLY A 26 63.399 2.519 -15.611 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.265 0.959 -14.823 1.00 0.00 H new ATOM 57 N ASP A 27 65.751 0.822 -14.498 1.00 0.00 N ATOM 58 CA ASP A 27 67.228 0.713 -14.339 1.00 0.00 C ATOM 59 C ASP A 27 67.573 0.161 -12.954 1.00 0.00 C ATOM 60 O ASP A 27 67.435 0.835 -11.951 1.00 0.00 O ATOM 61 CB ASP A 27 67.756 2.139 -14.492 1.00 0.00 C ATOM 62 CG ASP A 27 68.526 2.261 -15.808 1.00 0.00 C ATOM 63 OD1 ASP A 27 69.436 1.474 -16.014 1.00 0.00 O ATOM 64 OD2 ASP A 27 68.194 3.140 -16.586 1.00 0.00 O ATOM 0 H ASP A 27 65.201 0.417 -13.740 1.00 0.00 H new ATOM 0 HA ASP A 27 67.669 0.036 -15.071 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.928 2.848 -14.476 1.00 0.00 H new ATOM 0 HB3 ASP A 27 68.406 2.389 -13.654 1.00 0.00 H new ATOM 69 N CYS A 28 68.021 -1.062 -12.893 1.00 0.00 N ATOM 70 CA CYS A 28 68.380 -1.663 -11.576 1.00 0.00 C ATOM 71 C CYS A 28 69.739 -2.357 -11.669 1.00 0.00 C ATOM 72 O CYS A 28 70.211 -2.681 -12.740 1.00 0.00 O ATOM 73 CB CYS A 28 67.277 -2.681 -11.280 1.00 0.00 C ATOM 74 SG CYS A 28 66.963 -3.688 -12.752 1.00 0.00 S ATOM 0 H CYS A 28 68.155 -1.673 -13.699 1.00 0.00 H new ATOM 0 HA CYS A 28 68.456 -0.912 -10.790 1.00 0.00 H new ATOM 0 HB2 CYS A 28 67.572 -3.319 -10.447 1.00 0.00 H new ATOM 0 HB3 CYS A 28 66.365 -2.166 -10.979 1.00 0.00 H new ATOM 0 HG CYS A 28 66.027 -4.553 -12.495 1.00 0.00 H new ATOM 80 N CYS A 29 70.373 -2.579 -10.553 1.00 0.00 N ATOM 81 CA CYS A 29 71.708 -3.244 -10.571 1.00 0.00 C ATOM 82 C CYS A 29 71.930 -4.018 -9.269 1.00 0.00 C ATOM 83 O CYS A 29 71.278 -3.772 -8.273 1.00 0.00 O ATOM 84 CB CYS A 29 72.721 -2.106 -10.693 1.00 0.00 C ATOM 85 SG CYS A 29 73.650 -2.286 -12.237 1.00 0.00 S ATOM 0 H CYS A 29 70.026 -2.329 -9.627 1.00 0.00 H new ATOM 0 HA CYS A 29 71.799 -3.959 -11.388 1.00 0.00 H new ATOM 0 HB2 CYS A 29 72.208 -1.145 -10.675 1.00 0.00 H new ATOM 0 HB3 CYS A 29 73.403 -2.119 -9.843 1.00 0.00 H new ATOM 0 HG CYS A 29 74.924 -2.270 -11.981 1.00 0.00 H new ATOM 91 N ILE A 30 72.845 -4.949 -9.265 1.00 0.00 N ATOM 92 CA ILE A 30 73.098 -5.725 -8.017 1.00 0.00 C ATOM 93 C ILE A 30 74.363 -5.201 -7.335 1.00 0.00 C ATOM 94 O ILE A 30 75.416 -5.118 -7.938 1.00 0.00 O ATOM 95 CB ILE A 30 73.288 -7.169 -8.477 1.00 0.00 C ATOM 96 CG1 ILE A 30 71.929 -7.766 -8.853 1.00 0.00 C ATOM 97 CG2 ILE A 30 73.905 -7.987 -7.341 1.00 0.00 C ATOM 98 CD1 ILE A 30 71.961 -8.235 -10.310 1.00 0.00 C ATOM 0 H ILE A 30 73.424 -5.205 -10.065 1.00 0.00 H new ATOM 0 HA ILE A 30 72.285 -5.639 -7.297 1.00 0.00 H new ATOM 0 HB ILE A 30 73.949 -7.192 -9.344 1.00 0.00 H new ATOM 0 HG12 ILE A 30 71.694 -8.603 -8.196 1.00 0.00 H new ATOM 0 HG13 ILE A 30 71.143 -7.023 -8.717 1.00 0.00 H new ATOM 0 HG21 ILE A 30 74.041 -9.018 -7.667 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.871 -7.562 -7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 30 73.243 -7.965 -6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 30 70.993 -8.660 -10.577 1.00 0.00 H new ATOM 0 HD12 ILE A 30 72.177 -7.387 -10.960 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.736 -8.992 -10.432 1.00 0.00 H new ATOM 110 N ILE A 31 74.264 -4.830 -6.089 1.00 0.00 N ATOM 111 CA ILE A 31 75.459 -4.295 -5.376 1.00 0.00 C ATOM 112 C ILE A 31 75.904 -5.260 -4.273 1.00 0.00 C ATOM 113 O ILE A 31 75.147 -6.094 -3.815 1.00 0.00 O ATOM 114 CB ILE A 31 74.990 -2.960 -4.778 1.00 0.00 C ATOM 115 CG1 ILE A 31 73.632 -3.159 -4.104 1.00 0.00 C ATOM 116 CG2 ILE A 31 74.854 -1.923 -5.894 1.00 0.00 C ATOM 117 CD1 ILE A 31 73.542 -2.267 -2.865 1.00 0.00 C ATOM 0 H ILE A 31 73.409 -4.874 -5.534 1.00 0.00 H new ATOM 0 HA ILE A 31 76.316 -4.169 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 31 75.717 -2.612 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 31 72.829 -2.915 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 31 73.503 -4.204 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 31 74.521 -0.975 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 31 75.819 -1.784 -6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 31 74.125 -2.270 -6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 31 72.574 -2.409 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 31 74.336 -2.532 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 31 73.652 -1.223 -3.159 1.00 0.00 H new ATOM 129 N ARG A 32 77.130 -5.147 -3.846 1.00 0.00 N ATOM 130 CA ARG A 32 77.640 -6.059 -2.763 1.00 0.00 C ATOM 131 C ARG A 32 77.852 -5.256 -1.470 1.00 0.00 C ATOM 132 O ARG A 32 78.712 -4.400 -1.413 1.00 0.00 O ATOM 133 CB ARG A 32 78.975 -6.595 -3.304 1.00 0.00 C ATOM 134 CG ARG A 32 79.731 -7.348 -2.209 1.00 0.00 C ATOM 135 CD ARG A 32 79.214 -8.788 -2.128 1.00 0.00 C ATOM 136 NE ARG A 32 80.063 -9.556 -3.080 1.00 0.00 N ATOM 137 CZ ARG A 32 79.570 -10.589 -3.706 1.00 0.00 C ATOM 138 NH1 ARG A 32 78.983 -11.541 -3.034 1.00 0.00 N ATOM 139 NH2 ARG A 32 79.662 -10.668 -5.006 1.00 0.00 N ATOM 0 H ARG A 32 77.806 -4.467 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 32 76.948 -6.867 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 32 78.792 -7.258 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 32 79.583 -5.769 -3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 32 80.800 -7.346 -2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 32 79.597 -6.848 -1.250 1.00 0.00 H new ATOM 0 HD2 ARG A 32 79.301 -9.182 -1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 32 78.161 -8.845 -2.403 1.00 0.00 H new ATOM 0 HE ARG A 32 81.030 -9.275 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 32 78.909 -11.478 -2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 32 78.598 -12.348 -3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 32 80.119 -9.923 -5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 32 79.277 -11.475 -5.496 1.00 0.00 H new ATOM 153 N VAL A 33 77.068 -5.485 -0.433 1.00 0.00 N ATOM 154 CA VAL A 33 77.269 -4.666 0.803 1.00 0.00 C ATOM 155 C VAL A 33 77.800 -5.486 1.980 1.00 0.00 C ATOM 156 O VAL A 33 77.273 -6.520 2.350 1.00 0.00 O ATOM 157 CB VAL A 33 75.888 -4.069 1.170 1.00 0.00 C ATOM 158 CG1 VAL A 33 76.030 -2.650 1.753 1.00 0.00 C ATOM 159 CG2 VAL A 33 74.979 -4.014 -0.064 1.00 0.00 C ATOM 0 H VAL A 33 76.323 -6.181 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 33 78.016 -3.898 0.604 1.00 0.00 H new ATOM 0 HB VAL A 33 75.443 -4.719 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 33 75.044 -2.258 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 33 76.643 -2.686 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 33 76.504 -2.000 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 33 74.013 -3.592 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 33 75.441 -3.390 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 33 74.835 -5.021 -0.455 1.00 0.00 H new ATOM 169 N SER A 34 78.832 -4.970 2.576 1.00 0.00 N ATOM 170 CA SER A 34 79.459 -5.601 3.774 1.00 0.00 C ATOM 171 C SER A 34 79.165 -4.727 4.997 1.00 0.00 C ATOM 172 O SER A 34 78.772 -3.585 4.873 1.00 0.00 O ATOM 173 CB SER A 34 80.960 -5.632 3.505 1.00 0.00 C ATOM 174 OG SER A 34 81.647 -5.852 4.729 1.00 0.00 O ATOM 0 H SER A 34 79.285 -4.107 2.275 1.00 0.00 H new ATOM 0 HA SER A 34 79.076 -6.604 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 34 81.198 -6.422 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 34 81.281 -4.692 3.057 1.00 0.00 H new ATOM 0 HG SER A 34 82.613 -5.875 4.563 1.00 0.00 H new ATOM 180 N LEU A 35 79.337 -5.251 6.172 1.00 0.00 N ATOM 181 CA LEU A 35 79.046 -4.430 7.397 1.00 0.00 C ATOM 182 C LEU A 35 80.347 -3.879 7.986 1.00 0.00 C ATOM 183 O LEU A 35 81.418 -4.387 7.723 1.00 0.00 O ATOM 184 CB LEU A 35 78.387 -5.394 8.395 1.00 0.00 C ATOM 185 CG LEU A 35 76.910 -5.035 8.560 1.00 0.00 C ATOM 186 CD1 LEU A 35 76.246 -4.953 7.188 1.00 0.00 C ATOM 187 CD2 LEU A 35 76.217 -6.110 9.397 1.00 0.00 C ATOM 0 H LEU A 35 79.663 -6.201 6.348 1.00 0.00 H new ATOM 0 HA LEU A 35 78.404 -3.580 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 35 78.484 -6.421 8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 35 78.894 -5.339 9.358 1.00 0.00 H new ATOM 0 HG LEU A 35 76.825 -4.071 9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 35 75.193 -4.697 7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 35 76.740 -4.187 6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 35 76.330 -5.916 6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 35 75.164 -5.856 9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 35 76.303 -7.074 8.895 1.00 0.00 H new ATOM 0 HD23 LEU A 35 76.689 -6.168 10.378 1.00 0.00 H new ATOM 199 N ASP A 36 80.259 -2.829 8.768 1.00 0.00 N ATOM 200 CA ASP A 36 81.472 -2.221 9.367 1.00 0.00 C ATOM 201 C ASP A 36 82.162 -3.203 10.308 1.00 0.00 C ATOM 202 O ASP A 36 82.242 -3.005 11.505 1.00 0.00 O ATOM 203 CB ASP A 36 80.932 -1.025 10.126 1.00 0.00 C ATOM 204 CG ASP A 36 79.796 -1.469 11.050 1.00 0.00 C ATOM 205 OD1 ASP A 36 79.842 -2.594 11.516 1.00 0.00 O ATOM 206 OD2 ASP A 36 78.899 -0.674 11.274 1.00 0.00 O ATOM 0 H ASP A 36 79.384 -2.368 9.015 1.00 0.00 H new ATOM 0 HA ASP A 36 82.222 -1.946 8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 36 81.728 -0.563 10.709 1.00 0.00 H new ATOM 0 HB3 ASP A 36 80.571 -0.271 9.426 1.00 0.00 H new ATOM 211 N VAL A 37 82.655 -4.258 9.753 1.00 0.00 N ATOM 212 CA VAL A 37 83.354 -5.304 10.548 1.00 0.00 C ATOM 213 C VAL A 37 84.700 -5.607 9.901 1.00 0.00 C ATOM 214 O VAL A 37 84.891 -6.653 9.314 1.00 0.00 O ATOM 215 CB VAL A 37 82.466 -6.547 10.482 1.00 0.00 C ATOM 216 CG1 VAL A 37 81.742 -6.735 11.814 1.00 0.00 C ATOM 217 CG2 VAL A 37 81.447 -6.414 9.352 1.00 0.00 C ATOM 0 H VAL A 37 82.605 -4.452 8.753 1.00 0.00 H new ATOM 0 HA VAL A 37 83.526 -4.987 11.577 1.00 0.00 H new ATOM 0 HB VAL A 37 83.093 -7.417 10.286 1.00 0.00 H new ATOM 0 HG11 VAL A 37 81.110 -7.622 11.763 1.00 0.00 H new ATOM 0 HG12 VAL A 37 82.474 -6.857 12.612 1.00 0.00 H new ATOM 0 HG13 VAL A 37 81.124 -5.861 12.019 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.823 -7.307 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.821 -5.540 9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.970 -6.301 8.402 1.00 0.00 H new ATOM 227 N ASP A 38 85.614 -4.689 9.988 1.00 0.00 N ATOM 228 CA ASP A 38 86.958 -4.889 9.368 1.00 0.00 C ATOM 229 C ASP A 38 87.392 -6.356 9.462 1.00 0.00 C ATOM 230 O ASP A 38 88.094 -6.860 8.608 1.00 0.00 O ATOM 231 CB ASP A 38 87.904 -3.996 10.170 1.00 0.00 C ATOM 232 CG ASP A 38 88.639 -3.052 9.218 1.00 0.00 C ATOM 233 OD1 ASP A 38 89.584 -3.496 8.587 1.00 0.00 O ATOM 234 OD2 ASP A 38 88.244 -1.900 9.135 1.00 0.00 O ATOM 0 H ASP A 38 85.491 -3.797 10.466 1.00 0.00 H new ATOM 0 HA ASP A 38 86.956 -4.636 8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 38 87.343 -3.422 10.907 1.00 0.00 H new ATOM 0 HB3 ASP A 38 88.620 -4.607 10.719 1.00 0.00 H new ATOM 239 N ASN A 39 86.968 -7.048 10.483 1.00 0.00 N ATOM 240 CA ASN A 39 87.345 -8.485 10.615 1.00 0.00 C ATOM 241 C ASN A 39 86.547 -9.319 9.608 1.00 0.00 C ATOM 242 O ASN A 39 85.531 -8.882 9.107 1.00 0.00 O ATOM 243 CB ASN A 39 86.970 -8.867 12.047 1.00 0.00 C ATOM 244 CG ASN A 39 85.505 -8.510 12.303 1.00 0.00 C ATOM 245 OD1 ASN A 39 84.869 -7.877 11.483 1.00 0.00 O ATOM 246 ND2 ASN A 39 84.937 -8.892 13.415 1.00 0.00 N ATOM 0 H ASN A 39 86.378 -6.682 11.231 1.00 0.00 H new ATOM 0 HA ASN A 39 88.402 -8.661 10.417 1.00 0.00 H new ATOM 0 HB2 ASN A 39 87.128 -9.934 12.203 1.00 0.00 H new ATOM 0 HB3 ASN A 39 87.612 -8.343 12.755 1.00 0.00 H new ATOM 0 HD21 ASN A 39 83.960 -8.659 13.595 1.00 0.00 H new ATOM 0 HD22 ASN A 39 85.470 -9.423 14.104 1.00 0.00 H new ATOM 253 N GLY A 40 87.003 -10.506 9.302 1.00 0.00 N ATOM 254 CA GLY A 40 86.279 -11.362 8.325 1.00 0.00 C ATOM 255 C GLY A 40 84.768 -11.217 8.522 1.00 0.00 C ATOM 256 O GLY A 40 84.292 -11.033 9.625 1.00 0.00 O ATOM 0 H GLY A 40 87.851 -10.918 9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 40 86.551 -11.078 7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 40 86.573 -12.404 8.454 1.00 0.00 H new ATOM 260 N ASN A 41 84.010 -11.295 7.464 1.00 0.00 N ATOM 261 CA ASN A 41 82.532 -11.157 7.599 1.00 0.00 C ATOM 262 C ASN A 41 81.815 -12.095 6.623 1.00 0.00 C ATOM 263 O ASN A 41 82.231 -13.215 6.403 1.00 0.00 O ATOM 264 CB ASN A 41 82.235 -9.697 7.257 1.00 0.00 C ATOM 265 CG ASN A 41 80.974 -9.246 7.999 1.00 0.00 C ATOM 266 OD1 ASN A 41 80.110 -8.615 7.424 1.00 0.00 O ATOM 267 ND2 ASN A 41 80.831 -9.545 9.262 1.00 0.00 N ATOM 0 H ASN A 41 84.348 -11.448 6.514 1.00 0.00 H new ATOM 0 HA ASN A 41 82.186 -11.420 8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 41 83.080 -9.068 7.537 1.00 0.00 H new ATOM 0 HB3 ASN A 41 82.097 -9.585 6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 41 79.994 -9.249 9.765 1.00 0.00 H new ATOM 0 HD22 ASN A 41 81.556 -10.075 9.746 1.00 0.00 H new ATOM 274 N MET A 42 80.734 -11.650 6.039 1.00 0.00 N ATOM 275 CA MET A 42 79.991 -12.522 5.086 1.00 0.00 C ATOM 276 C MET A 42 79.716 -11.780 3.775 1.00 0.00 C ATOM 277 O MET A 42 79.768 -12.354 2.706 1.00 0.00 O ATOM 278 CB MET A 42 78.678 -12.851 5.796 1.00 0.00 C ATOM 279 CG MET A 42 78.634 -14.345 6.123 1.00 0.00 C ATOM 280 SD MET A 42 77.522 -15.182 4.965 1.00 0.00 S ATOM 281 CE MET A 42 78.162 -14.430 3.450 1.00 0.00 C ATOM 0 H MET A 42 80.335 -10.722 6.181 1.00 0.00 H new ATOM 0 HA MET A 42 80.557 -13.417 4.826 1.00 0.00 H new ATOM 0 HB2 MET A 42 78.590 -12.265 6.711 1.00 0.00 H new ATOM 0 HB3 MET A 42 77.833 -12.582 5.163 1.00 0.00 H new ATOM 0 HG2 MET A 42 79.634 -14.773 6.057 1.00 0.00 H new ATOM 0 HG3 MET A 42 78.290 -14.494 7.147 1.00 0.00 H new ATOM 0 HE1 MET A 42 77.821 -15.003 2.587 1.00 0.00 H new ATOM 0 HE2 MET A 42 77.799 -13.405 3.371 1.00 0.00 H new ATOM 0 HE3 MET A 42 79.252 -14.428 3.477 1.00 0.00 H new ATOM 291 N TYR A 43 79.418 -10.510 3.845 1.00 0.00 N ATOM 292 CA TYR A 43 79.134 -9.745 2.595 1.00 0.00 C ATOM 293 C TYR A 43 77.843 -10.265 1.954 1.00 0.00 C ATOM 294 O TYR A 43 77.729 -11.431 1.632 1.00 0.00 O ATOM 295 CB TYR A 43 80.333 -10.018 1.683 1.00 0.00 C ATOM 296 CG TYR A 43 81.035 -8.722 1.349 1.00 0.00 C ATOM 297 CD1 TYR A 43 80.308 -7.635 0.846 1.00 0.00 C ATOM 298 CD2 TYR A 43 82.420 -8.611 1.537 1.00 0.00 C ATOM 299 CE1 TYR A 43 80.965 -6.439 0.531 1.00 0.00 C ATOM 300 CE2 TYR A 43 83.077 -7.413 1.223 1.00 0.00 C ATOM 301 CZ TYR A 43 82.349 -6.327 0.719 1.00 0.00 C ATOM 302 OH TYR A 43 82.996 -5.149 0.409 1.00 0.00 O ATOM 0 H TYR A 43 79.359 -9.971 4.709 1.00 0.00 H new ATOM 0 HA TYR A 43 78.999 -8.679 2.778 1.00 0.00 H new ATOM 0 HB2 TYR A 43 81.026 -10.700 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 43 80.000 -10.507 0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 43 79.241 -7.719 0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 43 82.981 -9.449 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 43 80.404 -5.602 0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 43 84.144 -7.327 1.369 1.00 0.00 H new ATOM 0 HH TYR A 43 83.953 -5.241 0.600 1.00 0.00 H new ATOM 312 N LYS A 44 76.868 -9.417 1.769 1.00 0.00 N ATOM 313 CA LYS A 44 75.590 -9.883 1.148 1.00 0.00 C ATOM 314 C LYS A 44 75.274 -9.070 -0.112 1.00 0.00 C ATOM 315 O LYS A 44 75.793 -7.990 -0.313 1.00 0.00 O ATOM 316 CB LYS A 44 74.494 -9.692 2.210 1.00 0.00 C ATOM 317 CG LYS A 44 74.792 -8.476 3.097 1.00 0.00 C ATOM 318 CD LYS A 44 74.633 -7.191 2.283 1.00 0.00 C ATOM 319 CE LYS A 44 73.276 -7.204 1.577 1.00 0.00 C ATOM 320 NZ LYS A 44 72.302 -7.603 2.631 1.00 0.00 N ATOM 0 H LYS A 44 76.898 -8.428 2.018 1.00 0.00 H new ATOM 0 HA LYS A 44 75.659 -10.927 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 44 73.528 -9.562 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 44 74.421 -10.587 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 44 74.115 -8.463 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 44 75.805 -8.543 3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 44 74.708 -6.322 2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 44 75.436 -7.109 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 44 73.035 -6.224 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 44 73.270 -7.909 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 71.349 -7.286 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 72.307 -8.638 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 72.569 -7.164 3.535 1.00 0.00 H new ATOM 334 N SER A 45 74.437 -9.592 -0.969 1.00 0.00 N ATOM 335 CA SER A 45 74.098 -8.860 -2.223 1.00 0.00 C ATOM 336 C SER A 45 72.637 -8.394 -2.206 1.00 0.00 C ATOM 337 O SER A 45 71.785 -8.993 -1.582 1.00 0.00 O ATOM 338 CB SER A 45 74.324 -9.876 -3.342 1.00 0.00 C ATOM 339 OG SER A 45 73.226 -9.836 -4.245 1.00 0.00 O ATOM 0 H SER A 45 73.974 -10.494 -0.854 1.00 0.00 H new ATOM 0 HA SER A 45 74.705 -7.964 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 45 75.251 -9.652 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 45 74.429 -10.877 -2.924 1.00 0.00 H new ATOM 0 HG SER A 45 73.370 -10.486 -4.964 1.00 0.00 H new ATOM 345 N ILE A 46 72.354 -7.323 -2.895 1.00 0.00 N ATOM 346 CA ILE A 46 70.957 -6.792 -2.942 1.00 0.00 C ATOM 347 C ILE A 46 70.745 -6.019 -4.252 1.00 0.00 C ATOM 348 O ILE A 46 71.694 -5.650 -4.916 1.00 0.00 O ATOM 349 CB ILE A 46 70.820 -5.878 -1.722 1.00 0.00 C ATOM 350 CG1 ILE A 46 71.959 -4.856 -1.697 1.00 0.00 C ATOM 351 CG2 ILE A 46 70.876 -6.721 -0.446 1.00 0.00 C ATOM 352 CD1 ILE A 46 71.623 -3.752 -0.693 1.00 0.00 C ATOM 0 H ILE A 46 73.035 -6.787 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 46 70.207 -7.583 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 46 69.867 -5.352 -1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 46 72.894 -5.343 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 46 72.103 -4.430 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.779 -6.071 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 46 70.061 -7.444 -0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 46 71.829 -7.249 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 46 72.432 -3.021 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.697 -3.260 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 46 71.501 -4.187 0.299 1.00 0.00 H new ATOM 364 N LEU A 47 69.518 -5.786 -4.651 1.00 0.00 N ATOM 365 CA LEU A 47 69.290 -5.057 -5.935 1.00 0.00 C ATOM 366 C LEU A 47 68.961 -3.590 -5.662 1.00 0.00 C ATOM 367 O LEU A 47 68.083 -3.266 -4.887 1.00 0.00 O ATOM 368 CB LEU A 47 68.097 -5.761 -6.582 1.00 0.00 C ATOM 369 CG LEU A 47 67.662 -4.991 -7.832 1.00 0.00 C ATOM 370 CD1 LEU A 47 68.168 -5.717 -9.081 1.00 0.00 C ATOM 371 CD2 LEU A 47 66.135 -4.907 -7.873 1.00 0.00 C ATOM 0 H LEU A 47 68.675 -6.066 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 47 70.171 -5.069 -6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 47 68.366 -6.783 -6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 47 67.270 -5.822 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 47 68.080 -3.985 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 47 67.858 -5.169 -9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 47 69.256 -5.776 -9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 47 67.750 -6.723 -9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 47 65.825 -4.359 -8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 47 65.716 -5.913 -7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 47 65.775 -4.389 -6.984 1.00 0.00 H new ATOM 383 N VAL A 48 69.686 -2.701 -6.288 1.00 0.00 N ATOM 384 CA VAL A 48 69.456 -1.243 -6.067 1.00 0.00 C ATOM 385 C VAL A 48 68.702 -0.628 -7.251 1.00 0.00 C ATOM 386 O VAL A 48 69.114 -0.740 -8.390 1.00 0.00 O ATOM 387 CB VAL A 48 70.869 -0.658 -5.949 1.00 0.00 C ATOM 388 CG1 VAL A 48 70.830 0.863 -6.107 1.00 0.00 C ATOM 389 CG2 VAL A 48 71.462 -1.006 -4.579 1.00 0.00 C ATOM 0 H VAL A 48 70.432 -2.924 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 48 68.847 -1.040 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 48 71.488 -1.085 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 48 71.840 1.264 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 48 70.421 1.117 -7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 48 70.201 1.294 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 48 72.466 -0.588 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 48 70.832 -0.588 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 48 71.510 -2.089 -4.468 1.00 0.00 H new ATOM 399 N THR A 49 67.598 0.020 -6.987 1.00 0.00 N ATOM 400 CA THR A 49 66.808 0.646 -8.088 1.00 0.00 C ATOM 401 C THR A 49 67.044 2.162 -8.125 1.00 0.00 C ATOM 402 O THR A 49 67.168 2.802 -7.105 1.00 0.00 O ATOM 403 CB THR A 49 65.348 0.340 -7.752 1.00 0.00 C ATOM 404 OG1 THR A 49 64.985 1.021 -6.559 1.00 0.00 O ATOM 405 CG2 THR A 49 65.171 -1.167 -7.557 1.00 0.00 C ATOM 0 H THR A 49 67.208 0.143 -6.053 1.00 0.00 H new ATOM 0 HA THR A 49 67.093 0.260 -9.067 1.00 0.00 H new ATOM 0 HB THR A 49 64.709 0.674 -8.570 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.049 0.827 -6.344 1.00 0.00 H new ATOM 0 HG21 THR A 49 64.130 -1.383 -7.318 1.00 0.00 H new ATOM 0 HG22 THR A 49 65.448 -1.688 -8.474 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.809 -1.506 -6.741 1.00 0.00 H new ATOM 413 N SER A 50 67.123 2.724 -9.300 1.00 0.00 N ATOM 414 CA SER A 50 67.368 4.204 -9.436 1.00 0.00 C ATOM 415 C SER A 50 66.817 5.033 -8.249 1.00 0.00 C ATOM 416 O SER A 50 67.558 5.749 -7.604 1.00 0.00 O ATOM 417 CB SER A 50 66.668 4.602 -10.738 1.00 0.00 C ATOM 418 OG SER A 50 65.316 4.166 -10.697 1.00 0.00 O ATOM 0 H SER A 50 67.029 2.224 -10.184 1.00 0.00 H new ATOM 0 HA SER A 50 68.438 4.410 -9.443 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.710 5.683 -10.871 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.180 4.156 -11.591 1.00 0.00 H new ATOM 0 HG SER A 50 64.865 4.421 -11.529 1.00 0.00 H new ATOM 424 N GLN A 51 65.537 4.975 -7.964 1.00 0.00 N ATOM 425 CA GLN A 51 64.979 5.790 -6.839 1.00 0.00 C ATOM 426 C GLN A 51 65.334 5.184 -5.491 1.00 0.00 C ATOM 427 O GLN A 51 65.144 5.795 -4.459 1.00 0.00 O ATOM 428 CB GLN A 51 63.467 5.776 -7.055 1.00 0.00 C ATOM 429 CG GLN A 51 62.926 7.200 -6.939 1.00 0.00 C ATOM 430 CD GLN A 51 62.123 7.548 -8.193 1.00 0.00 C ATOM 431 OE1 GLN A 51 61.014 8.038 -8.102 1.00 0.00 O ATOM 432 NE2 GLN A 51 62.636 7.311 -9.370 1.00 0.00 N ATOM 0 H GLN A 51 64.857 4.400 -8.461 1.00 0.00 H new ATOM 0 HA GLN A 51 65.386 6.801 -6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 51 63.232 5.365 -8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 51 62.989 5.132 -6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 51 62.295 7.289 -6.055 1.00 0.00 H new ATOM 0 HG3 GLN A 51 63.749 7.904 -6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 51 63.566 6.900 -9.447 1.00 0.00 H new ATOM 0 HE22 GLN A 51 62.106 7.537 -10.212 1.00 0.00 H new ATOM 441 N ASP A 52 65.867 4.005 -5.487 1.00 0.00 N ATOM 442 CA ASP A 52 66.253 3.390 -4.187 1.00 0.00 C ATOM 443 C ASP A 52 67.025 4.434 -3.386 1.00 0.00 C ATOM 444 O ASP A 52 68.037 4.942 -3.827 1.00 0.00 O ATOM 445 CB ASP A 52 67.134 2.184 -4.536 1.00 0.00 C ATOM 446 CG ASP A 52 68.570 2.639 -4.816 1.00 0.00 C ATOM 447 OD1 ASP A 52 68.738 3.576 -5.578 1.00 0.00 O ATOM 448 OD2 ASP A 52 69.475 2.045 -4.257 1.00 0.00 O ATOM 0 H ASP A 52 66.053 3.440 -6.315 1.00 0.00 H new ATOM 0 HA ASP A 52 65.400 3.067 -3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 52 67.126 1.469 -3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 52 66.731 1.671 -5.409 1.00 0.00 H new ATOM 453 N LYS A 53 66.548 4.790 -2.234 1.00 0.00 N ATOM 454 CA LYS A 53 67.264 5.834 -1.454 1.00 0.00 C ATOM 455 C LYS A 53 68.276 5.203 -0.507 1.00 0.00 C ATOM 456 O LYS A 53 68.220 4.032 -0.192 1.00 0.00 O ATOM 457 CB LYS A 53 66.203 6.597 -0.651 1.00 0.00 C ATOM 458 CG LYS A 53 64.831 6.520 -1.335 1.00 0.00 C ATOM 459 CD LYS A 53 63.874 7.510 -0.666 1.00 0.00 C ATOM 460 CE LYS A 53 62.480 7.375 -1.285 1.00 0.00 C ATOM 461 NZ LYS A 53 61.760 8.616 -0.886 1.00 0.00 N ATOM 0 H LYS A 53 65.706 4.412 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 53 67.811 6.500 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 53 66.135 6.182 0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 53 66.502 7.640 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 53 64.928 6.751 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 53 64.433 5.508 -1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 53 63.827 7.318 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 53 64.242 8.528 -0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 53 62.537 7.283 -2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 53 61.969 6.486 -0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 60.795 8.597 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 61.715 8.673 0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 62.266 9.445 -1.257 1.00 0.00 H new ATOM 475 N ALA A 54 69.198 5.993 -0.063 1.00 0.00 N ATOM 476 CA ALA A 54 70.249 5.501 0.867 1.00 0.00 C ATOM 477 C ALA A 54 69.637 4.701 2.030 1.00 0.00 C ATOM 478 O ALA A 54 70.085 3.608 2.315 1.00 0.00 O ATOM 479 CB ALA A 54 70.918 6.778 1.371 1.00 0.00 C ATOM 0 H ALA A 54 69.274 6.980 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 54 70.950 4.821 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 54 71.714 6.520 2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 54 71.338 7.326 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 54 70.180 7.400 1.876 1.00 0.00 H new ATOM 485 N PRO A 55 68.640 5.263 2.672 1.00 0.00 N ATOM 486 CA PRO A 55 67.999 4.566 3.810 1.00 0.00 C ATOM 487 C PRO A 55 67.223 3.327 3.343 1.00 0.00 C ATOM 488 O PRO A 55 66.814 2.508 4.142 1.00 0.00 O ATOM 489 CB PRO A 55 67.100 5.632 4.437 1.00 0.00 C ATOM 490 CG PRO A 55 66.845 6.633 3.356 1.00 0.00 C ATOM 491 CD PRO A 55 68.022 6.570 2.405 1.00 0.00 C ATOM 0 HA PRO A 55 68.717 4.174 4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 55 66.167 5.196 4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 55 67.585 6.097 5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 55 65.915 6.408 2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 55 66.741 7.634 3.775 1.00 0.00 H new ATOM 0 HD2 PRO A 55 67.699 6.652 1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 55 68.723 7.385 2.586 1.00 0.00 H new ATOM 499 N ALA A 56 67.055 3.152 2.058 1.00 0.00 N ATOM 500 CA ALA A 56 66.353 1.934 1.563 1.00 0.00 C ATOM 501 C ALA A 56 67.387 0.817 1.433 1.00 0.00 C ATOM 502 O ALA A 56 67.307 -0.220 2.074 1.00 0.00 O ATOM 503 CB ALA A 56 65.793 2.319 0.194 1.00 0.00 C ATOM 0 H ALA A 56 67.372 3.797 1.334 1.00 0.00 H new ATOM 0 HA ALA A 56 65.557 1.590 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 56 65.261 1.469 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 56 65.107 3.158 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 56 66.612 2.604 -0.467 1.00 0.00 H new ATOM 509 N VAL A 57 68.383 1.049 0.623 1.00 0.00 N ATOM 510 CA VAL A 57 69.463 0.046 0.452 1.00 0.00 C ATOM 511 C VAL A 57 69.913 -0.435 1.833 1.00 0.00 C ATOM 512 O VAL A 57 70.412 -1.532 1.987 1.00 0.00 O ATOM 513 CB VAL A 57 70.595 0.808 -0.263 1.00 0.00 C ATOM 514 CG1 VAL A 57 71.920 0.071 -0.055 1.00 0.00 C ATOM 515 CG2 VAL A 57 70.310 0.928 -1.768 1.00 0.00 C ATOM 0 H VAL A 57 68.493 1.899 0.069 1.00 0.00 H new ATOM 0 HA VAL A 57 69.154 -0.832 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 57 70.656 1.810 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 57 72.720 0.611 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 57 72.140 0.012 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 57 71.845 -0.936 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 57 71.124 1.470 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 57 70.229 -0.068 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 57 69.375 1.467 -1.919 1.00 0.00 H new ATOM 525 N ILE A 58 69.726 0.374 2.847 1.00 0.00 N ATOM 526 CA ILE A 58 70.129 -0.048 4.211 1.00 0.00 C ATOM 527 C ILE A 58 69.025 -0.912 4.823 1.00 0.00 C ATOM 528 O ILE A 58 69.279 -1.777 5.636 1.00 0.00 O ATOM 529 CB ILE A 58 70.326 1.248 4.993 1.00 0.00 C ATOM 530 CG1 ILE A 58 71.664 1.850 4.576 1.00 0.00 C ATOM 531 CG2 ILE A 58 70.341 0.946 6.493 1.00 0.00 C ATOM 532 CD1 ILE A 58 71.531 3.365 4.427 1.00 0.00 C ATOM 0 H ILE A 58 69.313 1.304 2.783 1.00 0.00 H new ATOM 0 HA ILE A 58 71.040 -0.647 4.218 1.00 0.00 H new ATOM 0 HB ILE A 58 69.515 1.946 4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 58 72.426 1.615 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 58 71.992 1.411 3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 58 70.482 1.873 7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 58 69.394 0.490 6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 58 71.158 0.260 6.718 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.491 3.787 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 58 70.783 3.592 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 58 71.224 3.799 5.379 1.00 0.00 H new ATOM 544 N ARG A 59 67.799 -0.706 4.417 1.00 0.00 N ATOM 545 CA ARG A 59 66.695 -1.542 4.958 1.00 0.00 C ATOM 546 C ARG A 59 66.888 -2.972 4.460 1.00 0.00 C ATOM 547 O ARG A 59 66.617 -3.933 5.153 1.00 0.00 O ATOM 548 CB ARG A 59 65.411 -0.933 4.388 1.00 0.00 C ATOM 549 CG ARG A 59 64.222 -1.836 4.722 1.00 0.00 C ATOM 550 CD ARG A 59 62.967 -1.307 4.021 1.00 0.00 C ATOM 551 NE ARG A 59 62.016 -2.453 4.017 1.00 0.00 N ATOM 552 CZ ARG A 59 61.311 -2.714 2.949 1.00 0.00 C ATOM 553 NH1 ARG A 59 60.318 -1.935 2.616 1.00 0.00 N ATOM 554 NH2 ARG A 59 61.599 -3.753 2.215 1.00 0.00 N ATOM 0 H ARG A 59 67.519 0.002 3.738 1.00 0.00 H new ATOM 0 HA ARG A 59 66.664 -1.566 6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 59 65.253 0.062 4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.500 -0.817 3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.427 -2.858 4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 59 64.065 -1.864 5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 59 62.550 -0.450 4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 59 63.191 -0.976 3.007 1.00 0.00 H new ATOM 0 HE ARG A 59 61.915 -3.034 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 59 60.093 -1.122 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 59 59.767 -2.139 1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 59 62.375 -4.362 2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 59 61.048 -3.957 1.381 1.00 0.00 H new ATOM 568 N LYS A 60 67.382 -3.110 3.258 1.00 0.00 N ATOM 569 CA LYS A 60 67.630 -4.461 2.694 1.00 0.00 C ATOM 570 C LYS A 60 68.893 -5.047 3.323 1.00 0.00 C ATOM 571 O LYS A 60 68.908 -6.159 3.813 1.00 0.00 O ATOM 572 CB LYS A 60 67.857 -4.204 1.210 1.00 0.00 C ATOM 573 CG LYS A 60 67.549 -5.471 0.409 1.00 0.00 C ATOM 574 CD LYS A 60 66.823 -5.093 -0.883 1.00 0.00 C ATOM 575 CE LYS A 60 65.342 -4.850 -0.584 1.00 0.00 C ATOM 576 NZ LYS A 60 64.877 -6.093 0.091 1.00 0.00 N ATOM 0 H LYS A 60 67.625 -2.335 2.641 1.00 0.00 H new ATOM 0 HA LYS A 60 66.815 -5.161 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 60 67.221 -3.386 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 60 68.889 -3.897 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 60 68.473 -6.002 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 60 66.932 -6.147 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 60 67.269 -4.197 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 60 66.930 -5.889 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 60 65.206 -3.979 0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 60 64.780 -4.664 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 63.889 -6.282 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 65.473 -6.892 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 64.944 -5.974 1.122 1.00 0.00 H new ATOM 590 N ALA A 61 69.954 -4.292 3.298 1.00 0.00 N ATOM 591 CA ALA A 61 71.242 -4.773 3.878 1.00 0.00 C ATOM 592 C ALA A 61 71.101 -5.035 5.381 1.00 0.00 C ATOM 593 O ALA A 61 71.750 -5.904 5.926 1.00 0.00 O ATOM 594 CB ALA A 61 72.238 -3.644 3.621 1.00 0.00 C ATOM 0 H ALA A 61 69.987 -3.354 2.898 1.00 0.00 H new ATOM 0 HA ALA A 61 71.562 -5.714 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 61 73.214 -3.922 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 61 72.321 -3.469 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 61 71.891 -2.734 4.111 1.00 0.00 H new ATOM 600 N MET A 62 70.258 -4.300 6.057 1.00 0.00 N ATOM 601 CA MET A 62 70.078 -4.531 7.517 1.00 0.00 C ATOM 602 C MET A 62 69.263 -5.804 7.717 1.00 0.00 C ATOM 603 O MET A 62 69.699 -6.744 8.348 1.00 0.00 O ATOM 604 CB MET A 62 69.312 -3.309 8.024 1.00 0.00 C ATOM 605 CG MET A 62 70.289 -2.155 8.248 1.00 0.00 C ATOM 606 SD MET A 62 69.557 -0.951 9.385 1.00 0.00 S ATOM 607 CE MET A 62 69.425 -2.044 10.823 1.00 0.00 C ATOM 0 H MET A 62 69.689 -3.552 5.661 1.00 0.00 H new ATOM 0 HA MET A 62 71.021 -4.654 8.050 1.00 0.00 H new ATOM 0 HB2 MET A 62 68.549 -3.019 7.302 1.00 0.00 H new ATOM 0 HB3 MET A 62 68.796 -3.549 8.954 1.00 0.00 H new ATOM 0 HG2 MET A 62 71.226 -2.533 8.657 1.00 0.00 H new ATOM 0 HG3 MET A 62 70.526 -1.676 7.298 1.00 0.00 H new ATOM 0 HE1 MET A 62 68.378 -2.141 11.112 1.00 0.00 H new ATOM 0 HE2 MET A 62 69.824 -3.026 10.571 1.00 0.00 H new ATOM 0 HE3 MET A 62 69.993 -1.624 11.653 1.00 0.00 H new ATOM 617 N ASP A 63 68.084 -5.845 7.163 1.00 0.00 N ATOM 618 CA ASP A 63 67.238 -7.064 7.293 1.00 0.00 C ATOM 619 C ASP A 63 68.073 -8.304 6.966 1.00 0.00 C ATOM 620 O ASP A 63 67.850 -9.375 7.494 1.00 0.00 O ATOM 621 CB ASP A 63 66.129 -6.874 6.257 1.00 0.00 C ATOM 622 CG ASP A 63 65.060 -7.953 6.445 1.00 0.00 C ATOM 623 OD1 ASP A 63 65.228 -9.027 5.894 1.00 0.00 O ATOM 624 OD2 ASP A 63 64.091 -7.685 7.137 1.00 0.00 O ATOM 0 H ASP A 63 67.669 -5.085 6.624 1.00 0.00 H new ATOM 0 HA ASP A 63 66.839 -7.200 8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 63 65.684 -5.885 6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 63 66.544 -6.931 5.251 1.00 0.00 H new ATOM 629 N LYS A 64 69.037 -8.162 6.095 1.00 0.00 N ATOM 630 CA LYS A 64 69.892 -9.313 5.722 1.00 0.00 C ATOM 631 C LYS A 64 70.933 -9.577 6.810 1.00 0.00 C ATOM 632 O LYS A 64 71.333 -10.700 7.040 1.00 0.00 O ATOM 633 CB LYS A 64 70.585 -8.855 4.448 1.00 0.00 C ATOM 634 CG LYS A 64 70.158 -9.748 3.282 1.00 0.00 C ATOM 635 CD LYS A 64 70.596 -11.189 3.558 1.00 0.00 C ATOM 636 CE LYS A 64 70.761 -11.938 2.233 1.00 0.00 C ATOM 637 NZ LYS A 64 70.162 -13.281 2.475 1.00 0.00 N ATOM 0 H LYS A 64 69.266 -7.286 5.625 1.00 0.00 H new ATOM 0 HA LYS A 64 69.323 -10.234 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 64 70.330 -7.817 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 64 71.667 -8.898 4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 64 69.077 -9.703 3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 64 70.605 -9.392 2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 64 71.536 -11.195 4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 64 69.857 -11.691 4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 64 70.253 -11.419 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 64 71.811 -12.018 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 70.237 -13.855 1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 70.670 -13.753 3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 69.160 -13.173 2.733 1.00 0.00 H new ATOM 651 N HIS A 65 71.392 -8.546 7.465 1.00 0.00 N ATOM 652 CA HIS A 65 72.424 -8.739 8.515 1.00 0.00 C ATOM 653 C HIS A 65 71.788 -8.824 9.910 1.00 0.00 C ATOM 654 O HIS A 65 72.478 -8.834 10.910 1.00 0.00 O ATOM 655 CB HIS A 65 73.319 -7.506 8.417 1.00 0.00 C ATOM 656 CG HIS A 65 74.419 -7.755 7.422 1.00 0.00 C ATOM 657 ND1 HIS A 65 74.538 -7.018 6.254 1.00 0.00 N ATOM 658 CD2 HIS A 65 75.467 -8.641 7.413 1.00 0.00 C ATOM 659 CE1 HIS A 65 75.623 -7.467 5.599 1.00 0.00 C ATOM 660 NE2 HIS A 65 76.226 -8.458 6.261 1.00 0.00 N ATOM 0 H HIS A 65 71.096 -7.581 7.317 1.00 0.00 H new ATOM 0 HA HIS A 65 72.975 -9.668 8.371 1.00 0.00 H new ATOM 0 HB2 HIS A 65 72.730 -6.641 8.113 1.00 0.00 H new ATOM 0 HB3 HIS A 65 73.744 -7.275 9.394 1.00 0.00 H new ATOM 0 HD1 HIS A 65 73.915 -6.271 5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 65 75.672 -9.370 8.183 1.00 0.00 H new ATOM 0 HE1 HIS A 65 75.965 -7.074 4.653 1.00 0.00 H new ATOM 668 N ASN A 66 70.488 -8.881 9.988 1.00 0.00 N ATOM 669 CA ASN A 66 69.826 -8.959 11.321 1.00 0.00 C ATOM 670 C ASN A 66 70.280 -7.795 12.209 1.00 0.00 C ATOM 671 O ASN A 66 70.396 -7.929 13.411 1.00 0.00 O ATOM 672 CB ASN A 66 70.278 -10.293 11.911 1.00 0.00 C ATOM 673 CG ASN A 66 69.093 -11.259 11.959 1.00 0.00 C ATOM 674 OD1 ASN A 66 68.565 -11.643 10.935 1.00 0.00 O ATOM 675 ND2 ASN A 66 68.651 -11.670 13.116 1.00 0.00 N ATOM 0 H ASN A 66 69.855 -8.877 9.188 1.00 0.00 H new ATOM 0 HA ASN A 66 68.740 -8.894 11.246 1.00 0.00 H new ATOM 0 HB2 ASN A 66 71.081 -10.716 11.307 1.00 0.00 H new ATOM 0 HB3 ASN A 66 70.678 -10.142 12.914 1.00 0.00 H new ATOM 0 HD21 ASN A 66 67.861 -12.314 13.161 1.00 0.00 H new ATOM 0 HD22 ASN A 66 69.095 -11.347 13.976 1.00 0.00 H new ATOM 682 N LEU A 67 70.534 -6.654 11.626 1.00 0.00 N ATOM 683 CA LEU A 67 70.980 -5.484 12.441 1.00 0.00 C ATOM 684 C LEU A 67 69.765 -4.735 12.997 1.00 0.00 C ATOM 685 O LEU A 67 69.741 -3.522 13.046 1.00 0.00 O ATOM 686 CB LEU A 67 71.757 -4.596 11.466 1.00 0.00 C ATOM 687 CG LEU A 67 73.221 -5.034 11.433 1.00 0.00 C ATOM 688 CD1 LEU A 67 73.976 -4.218 10.381 1.00 0.00 C ATOM 689 CD2 LEU A 67 73.852 -4.801 12.808 1.00 0.00 C ATOM 0 H LEU A 67 70.453 -6.481 10.624 1.00 0.00 H new ATOM 0 HA LEU A 67 71.589 -5.782 13.295 1.00 0.00 H new ATOM 0 HB2 LEU A 67 71.323 -4.666 10.469 1.00 0.00 H new ATOM 0 HB3 LEU A 67 71.685 -3.552 11.772 1.00 0.00 H new ATOM 0 HG LEU A 67 73.278 -6.093 11.180 1.00 0.00 H new ATOM 0 HD11 LEU A 67 75.020 -4.531 10.358 1.00 0.00 H new ATOM 0 HD12 LEU A 67 73.526 -4.382 9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 67 73.920 -3.159 10.633 1.00 0.00 H new ATOM 0 HD21 LEU A 67 74.896 -5.113 12.787 1.00 0.00 H new ATOM 0 HD22 LEU A 67 73.795 -3.742 13.060 1.00 0.00 H new ATOM 0 HD23 LEU A 67 73.315 -5.382 13.558 1.00 0.00 H new ATOM 701 N GLU A 68 68.757 -5.451 13.415 1.00 0.00 N ATOM 702 CA GLU A 68 67.550 -4.801 13.965 1.00 0.00 C ATOM 703 C GLU A 68 67.908 -3.948 15.183 1.00 0.00 C ATOM 704 O GLU A 68 67.192 -3.036 15.547 1.00 0.00 O ATOM 705 CB GLU A 68 66.667 -5.972 14.372 1.00 0.00 C ATOM 706 CG GLU A 68 65.888 -6.479 13.156 1.00 0.00 C ATOM 707 CD GLU A 68 64.391 -6.266 13.384 1.00 0.00 C ATOM 708 OE1 GLU A 68 64.051 -5.487 14.260 1.00 0.00 O ATOM 709 OE2 GLU A 68 63.610 -6.887 12.682 1.00 0.00 O ATOM 0 H GLU A 68 68.725 -6.470 13.396 1.00 0.00 H new ATOM 0 HA GLU A 68 67.066 -4.131 13.254 1.00 0.00 H new ATOM 0 HB2 GLU A 68 67.278 -6.775 14.785 1.00 0.00 H new ATOM 0 HB3 GLU A 68 65.975 -5.663 15.156 1.00 0.00 H new ATOM 0 HG2 GLU A 68 66.209 -5.950 12.259 1.00 0.00 H new ATOM 0 HG3 GLU A 68 66.095 -7.537 12.993 1.00 0.00 H new ATOM 716 N GLU A 69 69.010 -4.243 15.817 1.00 0.00 N ATOM 717 CA GLU A 69 69.419 -3.459 17.014 1.00 0.00 C ATOM 718 C GLU A 69 69.163 -1.968 16.789 1.00 0.00 C ATOM 719 O GLU A 69 68.949 -1.217 17.721 1.00 0.00 O ATOM 720 CB GLU A 69 70.916 -3.728 17.161 1.00 0.00 C ATOM 721 CG GLU A 69 71.664 -3.094 15.987 1.00 0.00 C ATOM 722 CD GLU A 69 73.148 -3.457 16.069 1.00 0.00 C ATOM 723 OE1 GLU A 69 73.449 -4.520 16.589 1.00 0.00 O ATOM 724 OE2 GLU A 69 73.958 -2.668 15.612 1.00 0.00 O ATOM 0 H GLU A 69 69.646 -4.996 15.555 1.00 0.00 H new ATOM 0 HA GLU A 69 68.859 -3.742 17.905 1.00 0.00 H new ATOM 0 HB2 GLU A 69 71.280 -3.317 18.103 1.00 0.00 H new ATOM 0 HB3 GLU A 69 71.103 -4.802 17.188 1.00 0.00 H new ATOM 0 HG2 GLU A 69 71.245 -3.444 15.044 1.00 0.00 H new ATOM 0 HG3 GLU A 69 71.542 -2.011 16.007 1.00 0.00 H new ATOM 731 N GLU A 70 69.185 -1.533 15.559 1.00 0.00 N ATOM 732 CA GLU A 70 68.945 -0.084 15.276 1.00 0.00 C ATOM 733 C GLU A 70 68.105 0.082 14.009 1.00 0.00 C ATOM 734 O GLU A 70 67.773 -0.877 13.339 1.00 0.00 O ATOM 735 CB GLU A 70 70.333 0.525 15.070 1.00 0.00 C ATOM 736 CG GLU A 70 71.107 0.512 16.391 1.00 0.00 C ATOM 737 CD GLU A 70 70.737 1.748 17.213 1.00 0.00 C ATOM 738 OE1 GLU A 70 69.925 2.529 16.743 1.00 0.00 O ATOM 739 OE2 GLU A 70 71.270 1.893 18.300 1.00 0.00 O ATOM 0 H GLU A 70 69.358 -2.114 14.738 1.00 0.00 H new ATOM 0 HA GLU A 70 68.401 0.400 16.087 1.00 0.00 H new ATOM 0 HB2 GLU A 70 70.878 -0.038 14.313 1.00 0.00 H new ATOM 0 HB3 GLU A 70 70.241 1.547 14.702 1.00 0.00 H new ATOM 0 HG2 GLU A 70 70.875 -0.393 16.952 1.00 0.00 H new ATOM 0 HG3 GLU A 70 72.179 0.500 16.196 1.00 0.00 H new ATOM 746 N GLU A 71 67.764 1.296 13.679 1.00 0.00 N ATOM 747 CA GLU A 71 66.956 1.553 12.474 1.00 0.00 C ATOM 748 C GLU A 71 67.883 1.809 11.282 1.00 0.00 C ATOM 749 O GLU A 71 69.089 1.752 11.412 1.00 0.00 O ATOM 750 CB GLU A 71 66.206 2.823 12.849 1.00 0.00 C ATOM 751 CG GLU A 71 64.715 2.526 13.044 1.00 0.00 C ATOM 752 CD GLU A 71 63.880 3.576 12.309 1.00 0.00 C ATOM 753 OE1 GLU A 71 63.835 4.702 12.777 1.00 0.00 O ATOM 754 OE2 GLU A 71 63.298 3.238 11.292 1.00 0.00 O ATOM 0 H GLU A 71 68.020 2.130 14.208 1.00 0.00 H new ATOM 0 HA GLU A 71 66.299 0.731 12.190 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.623 3.242 13.765 1.00 0.00 H new ATOM 0 HB3 GLU A 71 66.335 3.573 12.068 1.00 0.00 H new ATOM 0 HG2 GLU A 71 64.480 1.531 12.666 1.00 0.00 H new ATOM 0 HG3 GLU A 71 64.469 2.530 14.106 1.00 0.00 H new ATOM 761 N PRO A 72 67.287 2.108 10.165 1.00 0.00 N ATOM 762 CA PRO A 72 68.071 2.410 8.941 1.00 0.00 C ATOM 763 C PRO A 72 68.753 3.745 9.115 1.00 0.00 C ATOM 764 O PRO A 72 69.915 3.939 8.818 1.00 0.00 O ATOM 765 CB PRO A 72 66.997 2.513 7.856 1.00 0.00 C ATOM 766 CG PRO A 72 65.744 2.859 8.585 1.00 0.00 C ATOM 767 CD PRO A 72 65.842 2.200 9.933 1.00 0.00 C ATOM 0 HA PRO A 72 68.839 1.671 8.713 1.00 0.00 H new ATOM 0 HB2 PRO A 72 67.250 3.277 7.121 1.00 0.00 H new ATOM 0 HB3 PRO A 72 66.892 1.573 7.314 1.00 0.00 H new ATOM 0 HG2 PRO A 72 65.640 3.939 8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 72 64.868 2.504 8.042 1.00 0.00 H new ATOM 0 HD2 PRO A 72 65.348 2.790 10.705 1.00 0.00 H new ATOM 0 HD3 PRO A 72 65.372 1.217 9.934 1.00 0.00 H new ATOM 775 N GLU A 73 67.996 4.655 9.595 1.00 0.00 N ATOM 776 CA GLU A 73 68.500 6.040 9.825 1.00 0.00 C ATOM 777 C GLU A 73 69.768 6.017 10.685 1.00 0.00 C ATOM 778 O GLU A 73 70.523 6.968 10.714 1.00 0.00 O ATOM 779 CB GLU A 73 67.367 6.755 10.563 1.00 0.00 C ATOM 780 CG GLU A 73 67.050 6.009 11.861 1.00 0.00 C ATOM 781 CD GLU A 73 66.741 7.018 12.967 1.00 0.00 C ATOM 782 OE1 GLU A 73 66.562 8.183 12.646 1.00 0.00 O ATOM 783 OE2 GLU A 73 66.687 6.611 14.115 1.00 0.00 O ATOM 0 H GLU A 73 67.019 4.511 9.851 1.00 0.00 H new ATOM 0 HA GLU A 73 68.763 6.539 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 73 67.655 7.783 10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 73 66.480 6.800 9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 73 66.199 5.344 11.712 1.00 0.00 H new ATOM 0 HG3 GLU A 73 67.895 5.385 12.150 1.00 0.00 H new ATOM 790 N ASP A 74 70.009 4.943 11.387 1.00 0.00 N ATOM 791 CA ASP A 74 71.231 4.874 12.241 1.00 0.00 C ATOM 792 C ASP A 74 72.372 4.201 11.481 1.00 0.00 C ATOM 793 O ASP A 74 73.198 3.525 12.060 1.00 0.00 O ATOM 794 CB ASP A 74 70.829 4.015 13.438 1.00 0.00 C ATOM 795 CG ASP A 74 71.507 4.546 14.702 1.00 0.00 C ATOM 796 OD1 ASP A 74 72.636 4.157 14.954 1.00 0.00 O ATOM 797 OD2 ASP A 74 70.885 5.332 15.398 1.00 0.00 O ATOM 0 H ASP A 74 69.416 4.113 11.407 1.00 0.00 H new ATOM 0 HA ASP A 74 71.578 5.864 12.537 1.00 0.00 H new ATOM 0 HB2 ASP A 74 69.746 4.029 13.561 1.00 0.00 H new ATOM 0 HB3 ASP A 74 71.117 2.978 13.267 1.00 0.00 H new ATOM 802 N TYR A 75 72.421 4.363 10.191 1.00 0.00 N ATOM 803 CA TYR A 75 73.507 3.707 9.412 1.00 0.00 C ATOM 804 C TYR A 75 73.930 4.575 8.217 1.00 0.00 C ATOM 805 O TYR A 75 73.106 5.163 7.549 1.00 0.00 O ATOM 806 CB TYR A 75 72.879 2.407 8.926 1.00 0.00 C ATOM 807 CG TYR A 75 73.225 1.277 9.863 1.00 0.00 C ATOM 808 CD1 TYR A 75 74.396 0.539 9.666 1.00 0.00 C ATOM 809 CD2 TYR A 75 72.363 0.956 10.924 1.00 0.00 C ATOM 810 CE1 TYR A 75 74.714 -0.518 10.528 1.00 0.00 C ATOM 811 CE2 TYR A 75 72.680 -0.104 11.786 1.00 0.00 C ATOM 812 CZ TYR A 75 73.856 -0.842 11.587 1.00 0.00 C ATOM 813 OH TYR A 75 74.168 -1.887 12.433 1.00 0.00 O ATOM 0 H TYR A 75 71.762 4.917 9.644 1.00 0.00 H new ATOM 0 HA TYR A 75 74.406 3.549 10.007 1.00 0.00 H new ATOM 0 HB2 TYR A 75 71.797 2.519 8.864 1.00 0.00 H new ATOM 0 HB3 TYR A 75 73.234 2.177 7.921 1.00 0.00 H new ATOM 0 HD1 TYR A 75 75.057 0.784 8.848 1.00 0.00 H new ATOM 0 HD2 TYR A 75 71.457 1.524 11.076 1.00 0.00 H new ATOM 0 HE1 TYR A 75 75.621 -1.084 10.376 1.00 0.00 H new ATOM 0 HE2 TYR A 75 72.019 -0.352 12.603 1.00 0.00 H new ATOM 0 HH TYR A 75 75.099 -2.157 12.289 1.00 0.00 H new ATOM 823 N GLU A 76 75.209 4.653 7.934 1.00 0.00 N ATOM 824 CA GLU A 76 75.661 5.475 6.776 1.00 0.00 C ATOM 825 C GLU A 76 76.163 4.576 5.639 1.00 0.00 C ATOM 826 O GLU A 76 76.749 3.523 5.860 1.00 0.00 O ATOM 827 CB GLU A 76 76.752 6.385 7.320 1.00 0.00 C ATOM 828 CG GLU A 76 77.893 5.527 7.794 1.00 0.00 C ATOM 829 CD GLU A 76 77.780 5.298 9.305 1.00 0.00 C ATOM 830 OE1 GLU A 76 76.665 5.161 9.784 1.00 0.00 O ATOM 831 OE2 GLU A 76 78.809 5.268 9.959 1.00 0.00 O ATOM 0 H GLU A 76 75.952 4.185 8.453 1.00 0.00 H new ATOM 0 HA GLU A 76 74.851 6.064 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 76 77.091 7.074 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 76 76.367 6.991 8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 76 77.882 4.571 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 76 78.843 6.008 7.560 1.00 0.00 H new ATOM 838 N LEU A 77 75.890 4.979 4.419 1.00 0.00 N ATOM 839 CA LEU A 77 76.288 4.170 3.227 1.00 0.00 C ATOM 840 C LEU A 77 77.612 4.640 2.624 1.00 0.00 C ATOM 841 O LEU A 77 77.820 5.819 2.398 1.00 0.00 O ATOM 842 CB LEU A 77 75.190 4.434 2.205 1.00 0.00 C ATOM 843 CG LEU A 77 75.201 3.331 1.139 1.00 0.00 C ATOM 844 CD1 LEU A 77 75.193 1.956 1.811 1.00 0.00 C ATOM 845 CD2 LEU A 77 73.967 3.470 0.249 1.00 0.00 C ATOM 0 H LEU A 77 75.401 5.847 4.199 1.00 0.00 H new ATOM 0 HA LEU A 77 76.412 3.122 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 77 74.219 4.466 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 77 75.341 5.407 1.737 1.00 0.00 H new ATOM 0 HG LEU A 77 76.102 3.428 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 77 75.201 1.178 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 77 76.076 1.854 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 77 74.296 1.855 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 77 73.975 2.686 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 77 73.067 3.378 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 77 73.977 4.445 -0.238 1.00 0.00 H new ATOM 857 N LEU A 78 78.481 3.723 2.310 1.00 0.00 N ATOM 858 CA LEU A 78 79.768 4.113 1.665 1.00 0.00 C ATOM 859 C LEU A 78 80.002 3.264 0.413 1.00 0.00 C ATOM 860 O LEU A 78 79.806 2.069 0.429 1.00 0.00 O ATOM 861 CB LEU A 78 80.868 3.800 2.678 1.00 0.00 C ATOM 862 CG LEU A 78 80.684 4.598 3.974 1.00 0.00 C ATOM 863 CD1 LEU A 78 80.338 6.056 3.664 1.00 0.00 C ATOM 864 CD2 LEU A 78 79.566 3.963 4.799 1.00 0.00 C ATOM 0 H LEU A 78 78.359 2.723 2.470 1.00 0.00 H new ATOM 0 HA LEU A 78 79.758 5.165 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.864 2.733 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.841 4.030 2.243 1.00 0.00 H new ATOM 0 HG LEU A 78 81.616 4.580 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 78 80.211 6.606 4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 78 81.144 6.506 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.412 6.096 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.430 4.526 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 78 78.639 3.976 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 78 79.830 2.933 5.038 1.00 0.00 H new ATOM 876 N GLN A 79 80.455 3.846 -0.662 1.00 0.00 N ATOM 877 CA GLN A 79 80.731 3.014 -1.864 1.00 0.00 C ATOM 878 C GLN A 79 82.240 2.835 -1.977 1.00 0.00 C ATOM 879 O GLN A 79 82.997 3.752 -1.737 1.00 0.00 O ATOM 880 CB GLN A 79 80.170 3.781 -3.065 1.00 0.00 C ATOM 881 CG GLN A 79 80.142 2.850 -4.277 1.00 0.00 C ATOM 882 CD GLN A 79 81.568 2.618 -4.781 1.00 0.00 C ATOM 883 OE1 GLN A 79 82.098 1.531 -4.657 1.00 0.00 O ATOM 884 NE2 GLN A 79 82.213 3.596 -5.352 1.00 0.00 N ATOM 0 H GLN A 79 80.643 4.844 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 79 80.272 2.027 -1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 79 79.166 4.144 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 79 80.786 4.655 -3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 79 79.682 1.899 -4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 79 79.532 3.286 -5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 79 81.768 4.508 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 79 83.162 3.449 -5.695 1.00 0.00 H new ATOM 893 N ILE A 80 82.699 1.668 -2.315 1.00 0.00 N ATOM 894 CA ILE A 80 84.179 1.477 -2.400 1.00 0.00 C ATOM 895 C ILE A 80 84.636 1.517 -3.853 1.00 0.00 C ATOM 896 O ILE A 80 84.264 0.683 -4.654 1.00 0.00 O ATOM 897 CB ILE A 80 84.437 0.097 -1.794 1.00 0.00 C ATOM 898 CG1 ILE A 80 84.205 0.151 -0.278 1.00 0.00 C ATOM 899 CG2 ILE A 80 85.883 -0.319 -2.076 1.00 0.00 C ATOM 900 CD1 ILE A 80 83.416 -1.082 0.164 1.00 0.00 C ATOM 0 H ILE A 80 82.132 0.849 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 80 84.725 2.261 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 80 83.756 -0.629 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 80 85.160 0.191 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 80 83.660 1.058 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 80 86.069 -1.303 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 80 86.047 -0.358 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 80 86.564 0.407 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 80 83.252 -1.042 1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 80 82.454 -1.102 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 80 83.978 -1.982 -0.084 1.00 0.00 H new ATOM 912 N LEU A 81 85.444 2.483 -4.205 1.00 0.00 N ATOM 913 CA LEU A 81 85.913 2.554 -5.625 1.00 0.00 C ATOM 914 C LEU A 81 87.348 2.038 -5.749 1.00 0.00 C ATOM 915 O LEU A 81 87.573 0.893 -6.088 1.00 0.00 O ATOM 916 CB LEU A 81 85.812 4.023 -6.074 1.00 0.00 C ATOM 917 CG LEU A 81 85.999 4.968 -4.891 1.00 0.00 C ATOM 918 CD1 LEU A 81 86.440 6.340 -5.401 1.00 0.00 C ATOM 919 CD2 LEU A 81 84.675 5.109 -4.137 1.00 0.00 C ATOM 0 H LEU A 81 85.795 3.214 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 81 85.294 1.923 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 81 86.568 4.229 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.841 4.200 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 81 86.759 4.566 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 81 86.574 7.016 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.382 6.242 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 81 85.679 6.741 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 81 84.808 5.784 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 81 83.916 5.512 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 81 84.357 4.132 -3.774 1.00 0.00 H new ATOM 931 N SER A 82 88.323 2.861 -5.487 1.00 0.00 N ATOM 932 CA SER A 82 89.733 2.389 -5.603 1.00 0.00 C ATOM 933 C SER A 82 90.002 1.274 -4.590 1.00 0.00 C ATOM 934 O SER A 82 89.154 0.923 -3.794 1.00 0.00 O ATOM 935 CB SER A 82 90.603 3.609 -5.311 1.00 0.00 C ATOM 936 OG SER A 82 89.900 4.787 -5.683 1.00 0.00 O ATOM 0 H SER A 82 88.208 3.833 -5.200 1.00 0.00 H new ATOM 0 HA SER A 82 89.945 1.979 -6.590 1.00 0.00 H new ATOM 0 HB2 SER A 82 90.858 3.643 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 82 91.541 3.542 -5.863 1.00 0.00 H new ATOM 0 HG SER A 82 90.540 5.477 -5.956 1.00 0.00 H new ATOM 942 N ASP A 83 91.173 0.706 -4.627 1.00 0.00 N ATOM 943 CA ASP A 83 91.495 -0.408 -3.669 1.00 0.00 C ATOM 944 C ASP A 83 91.340 0.054 -2.216 1.00 0.00 C ATOM 945 O ASP A 83 91.111 -0.743 -1.329 1.00 0.00 O ATOM 946 CB ASP A 83 92.952 -0.820 -3.936 1.00 0.00 C ATOM 947 CG ASP A 83 93.797 0.419 -4.244 1.00 0.00 C ATOM 948 OD1 ASP A 83 93.785 0.851 -5.385 1.00 0.00 O ATOM 949 OD2 ASP A 83 94.441 0.914 -3.334 1.00 0.00 O ATOM 0 H ASP A 83 91.923 0.957 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 83 90.812 -1.244 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 83 93.357 -1.340 -3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 83 92.994 -1.517 -4.773 1.00 0.00 H new ATOM 954 N ASP A 84 91.470 1.328 -1.955 1.00 0.00 N ATOM 955 CA ASP A 84 91.338 1.804 -0.546 1.00 0.00 C ATOM 956 C ASP A 84 90.561 3.123 -0.471 1.00 0.00 C ATOM 957 O ASP A 84 90.501 3.751 0.566 1.00 0.00 O ATOM 958 CB ASP A 84 92.775 2.006 -0.066 1.00 0.00 C ATOM 959 CG ASP A 84 93.519 2.909 -1.048 1.00 0.00 C ATOM 960 OD1 ASP A 84 93.043 4.006 -1.291 1.00 0.00 O ATOM 961 OD2 ASP A 84 94.551 2.488 -1.546 1.00 0.00 O ATOM 0 H ASP A 84 91.660 2.053 -2.647 1.00 0.00 H new ATOM 0 HA ASP A 84 90.787 1.092 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 84 92.778 2.452 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 84 93.281 1.044 0.015 1.00 0.00 H new ATOM 966 N ARG A 85 89.969 3.555 -1.550 1.00 0.00 N ATOM 967 CA ARG A 85 89.213 4.831 -1.508 1.00 0.00 C ATOM 968 C ARG A 85 87.706 4.555 -1.412 1.00 0.00 C ATOM 969 O ARG A 85 87.110 3.934 -2.279 1.00 0.00 O ATOM 970 CB ARG A 85 89.561 5.533 -2.818 1.00 0.00 C ATOM 971 CG ARG A 85 88.525 6.613 -3.108 1.00 0.00 C ATOM 972 CD ARG A 85 89.011 7.496 -4.260 1.00 0.00 C ATOM 973 NE ARG A 85 88.001 8.587 -4.361 1.00 0.00 N ATOM 974 CZ ARG A 85 88.120 9.503 -5.285 1.00 0.00 C ATOM 975 NH1 ARG A 85 88.814 9.256 -6.362 1.00 0.00 N ATOM 976 NH2 ARG A 85 87.545 10.664 -5.130 1.00 0.00 N ATOM 0 H ARG A 85 89.977 3.080 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 85 89.470 5.441 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 85 90.555 5.976 -2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 85 89.587 4.811 -3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 85 87.570 6.155 -3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 85 88.358 7.219 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 85 90.005 7.896 -4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 85 89.076 6.931 -5.190 1.00 0.00 H new ATOM 0 HE ARG A 85 87.217 8.619 -3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 85 89.263 8.348 -6.482 1.00 0.00 H new ATOM 0 HH12 ARG A 85 88.907 9.971 -7.084 1.00 0.00 H new ATOM 0 HH21 ARG A 85 87.003 10.856 -4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 85 87.638 11.379 -5.851 1.00 0.00 H new ATOM 990 N LYS A 86 87.090 5.018 -0.361 1.00 0.00 N ATOM 991 CA LYS A 86 85.628 4.798 -0.191 1.00 0.00 C ATOM 992 C LYS A 86 84.880 6.122 -0.354 1.00 0.00 C ATOM 993 O LYS A 86 85.431 7.187 -0.157 1.00 0.00 O ATOM 994 CB LYS A 86 85.472 4.258 1.229 1.00 0.00 C ATOM 995 CG LYS A 86 85.426 2.730 1.192 1.00 0.00 C ATOM 996 CD LYS A 86 86.840 2.173 1.370 1.00 0.00 C ATOM 997 CE LYS A 86 86.839 1.130 2.491 1.00 0.00 C ATOM 998 NZ LYS A 86 87.882 0.142 2.098 1.00 0.00 N ATOM 0 H LYS A 86 87.539 5.542 0.391 1.00 0.00 H new ATOM 0 HA LYS A 86 85.220 4.109 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 86 86.303 4.592 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 86 84.560 4.649 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 86 84.774 2.356 1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 86 85.007 2.391 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 86 87.185 1.722 0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 86 87.533 2.980 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 86 87.069 1.585 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 86 85.862 0.656 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 87.941 -0.606 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 87.632 -0.280 1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 88.802 0.621 2.020 1.00 0.00 H new ATOM 1012 N LEU A 87 83.631 6.065 -0.719 1.00 0.00 N ATOM 1013 CA LEU A 87 82.847 7.325 -0.904 1.00 0.00 C ATOM 1014 C LEU A 87 81.591 7.303 -0.029 1.00 0.00 C ATOM 1015 O LEU A 87 81.146 6.262 0.400 1.00 0.00 O ATOM 1016 CB LEU A 87 82.463 7.332 -2.392 1.00 0.00 C ATOM 1017 CG LEU A 87 83.399 8.270 -3.155 1.00 0.00 C ATOM 1018 CD1 LEU A 87 83.059 8.224 -4.645 1.00 0.00 C ATOM 1019 CD2 LEU A 87 83.226 9.696 -2.633 1.00 0.00 C ATOM 0 H LEU A 87 83.116 5.203 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 87 83.415 8.211 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 87 82.529 6.324 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 87 81.429 7.657 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 87 84.432 7.954 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 87 83.725 8.892 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 87 83.183 7.206 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 87 82.027 8.541 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 87 83.893 10.366 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 87 82.194 10.014 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 87 83.468 9.726 -1.571 1.00 0.00 H new ATOM 1031 N LYS A 88 81.016 8.447 0.238 1.00 0.00 N ATOM 1032 CA LYS A 88 79.788 8.492 1.084 1.00 0.00 C ATOM 1033 C LYS A 88 78.547 8.712 0.209 1.00 0.00 C ATOM 1034 O LYS A 88 78.577 9.464 -0.744 1.00 0.00 O ATOM 1035 CB LYS A 88 80.003 9.686 2.015 1.00 0.00 C ATOM 1036 CG LYS A 88 79.379 9.390 3.377 1.00 0.00 C ATOM 1037 CD LYS A 88 80.422 9.613 4.474 1.00 0.00 C ATOM 1038 CE LYS A 88 80.052 10.858 5.283 1.00 0.00 C ATOM 1039 NZ LYS A 88 81.356 11.455 5.687 1.00 0.00 N ATOM 0 H LYS A 88 81.345 9.353 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 88 79.627 7.564 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 88 81.069 9.886 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 88 79.554 10.581 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 88 78.517 10.037 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 88 79.017 8.362 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 88 80.470 8.742 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.411 9.734 4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.466 11.557 4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.450 10.599 6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 81.186 12.315 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 81.889 10.770 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 81.905 11.698 4.838 1.00 0.00 H new ATOM 1053 N ILE A 89 77.457 8.058 0.520 1.00 0.00 N ATOM 1054 CA ILE A 89 76.225 8.238 -0.313 1.00 0.00 C ATOM 1055 C ILE A 89 75.193 9.108 0.416 1.00 0.00 C ATOM 1056 O ILE A 89 75.036 9.021 1.618 1.00 0.00 O ATOM 1057 CB ILE A 89 75.680 6.824 -0.542 1.00 0.00 C ATOM 1058 CG1 ILE A 89 76.852 5.891 -0.901 1.00 0.00 C ATOM 1059 CG2 ILE A 89 74.661 6.862 -1.686 1.00 0.00 C ATOM 1060 CD1 ILE A 89 76.369 4.723 -1.772 1.00 0.00 C ATOM 0 H ILE A 89 77.364 7.414 1.305 1.00 0.00 H new ATOM 0 HA ILE A 89 76.444 8.745 -1.253 1.00 0.00 H new ATOM 0 HB ILE A 89 75.190 6.453 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 89 77.621 6.453 -1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 89 77.309 5.506 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 89 74.268 5.860 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 89 73.843 7.533 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 89 75.146 7.220 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 89 77.213 4.076 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 89 75.617 4.151 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 89 75.934 5.111 -2.693 1.00 0.00 H new ATOM 1072 N PRO A 90 74.518 9.918 -0.360 1.00 0.00 N ATOM 1073 CA PRO A 90 73.466 10.829 0.180 1.00 0.00 C ATOM 1074 C PRO A 90 72.298 10.023 0.760 1.00 0.00 C ATOM 1075 O PRO A 90 72.256 8.817 0.648 1.00 0.00 O ATOM 1076 CB PRO A 90 73.046 11.639 -1.049 1.00 0.00 C ATOM 1077 CG PRO A 90 73.409 10.774 -2.207 1.00 0.00 C ATOM 1078 CD PRO A 90 74.665 10.060 -1.810 1.00 0.00 C ATOM 0 HA PRO A 90 73.811 11.461 0.999 1.00 0.00 H new ATOM 0 HB2 PRO A 90 71.978 11.856 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 90 73.566 12.596 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 90 72.611 10.066 -2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 90 73.566 11.370 -3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 90 74.752 9.092 -2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 90 75.555 10.633 -2.071 1.00 0.00 H new ATOM 1086 N GLU A 91 71.367 10.676 1.413 1.00 0.00 N ATOM 1087 CA GLU A 91 70.227 9.935 2.036 1.00 0.00 C ATOM 1088 C GLU A 91 69.056 9.713 1.067 1.00 0.00 C ATOM 1089 O GLU A 91 68.204 8.884 1.310 1.00 0.00 O ATOM 1090 CB GLU A 91 69.791 10.811 3.209 1.00 0.00 C ATOM 1091 CG GLU A 91 68.544 10.212 3.858 1.00 0.00 C ATOM 1092 CD GLU A 91 67.987 11.190 4.892 1.00 0.00 C ATOM 1093 OE1 GLU A 91 68.305 12.364 4.799 1.00 0.00 O ATOM 1094 OE2 GLU A 91 67.250 10.750 5.760 1.00 0.00 O ATOM 0 H GLU A 91 71.348 11.688 1.541 1.00 0.00 H new ATOM 0 HA GLU A 91 70.536 8.934 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 91 70.595 10.884 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 91 69.583 11.823 2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 91 67.791 10.002 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 91 68.789 9.263 4.335 1.00 0.00 H new ATOM 1101 N ASN A 92 68.987 10.425 -0.018 1.00 0.00 N ATOM 1102 CA ASN A 92 67.844 10.197 -0.957 1.00 0.00 C ATOM 1103 C ASN A 92 68.265 10.427 -2.398 1.00 0.00 C ATOM 1104 O ASN A 92 67.448 10.701 -3.254 1.00 0.00 O ATOM 1105 CB ASN A 92 66.766 11.195 -0.568 1.00 0.00 C ATOM 1106 CG ASN A 92 65.391 10.651 -0.980 1.00 0.00 C ATOM 1107 OD1 ASN A 92 64.422 10.844 -0.274 1.00 0.00 O ATOM 1108 ND2 ASN A 92 65.256 9.971 -2.098 1.00 0.00 N ATOM 0 H ASN A 92 69.655 11.143 -0.298 1.00 0.00 H new ATOM 0 HA ASN A 92 67.489 9.169 -0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 92 66.791 11.373 0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 92 66.950 12.153 -1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 92 64.341 9.609 -2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 92 66.066 9.806 -2.695 1.00 0.00 H new ATOM 1115 N ALA A 93 69.520 10.298 -2.689 1.00 0.00 N ATOM 1116 CA ALA A 93 69.948 10.492 -4.100 1.00 0.00 C ATOM 1117 C ALA A 93 70.003 9.131 -4.778 1.00 0.00 C ATOM 1118 O ALA A 93 70.533 8.185 -4.230 1.00 0.00 O ATOM 1119 CB ALA A 93 71.331 11.134 -4.034 1.00 0.00 C ATOM 0 H ALA A 93 70.261 10.070 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 93 69.265 11.122 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 93 71.702 11.303 -5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 93 71.265 12.086 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 93 72.014 10.472 -3.502 1.00 0.00 H new ATOM 1125 N ASN A 94 69.446 9.013 -5.952 1.00 0.00 N ATOM 1126 CA ASN A 94 69.464 7.683 -6.638 1.00 0.00 C ATOM 1127 C ASN A 94 70.827 7.010 -6.447 1.00 0.00 C ATOM 1128 O ASN A 94 71.767 7.277 -7.172 1.00 0.00 O ATOM 1129 CB ASN A 94 69.225 7.987 -8.114 1.00 0.00 C ATOM 1130 CG ASN A 94 67.992 8.881 -8.262 1.00 0.00 C ATOM 1131 OD1 ASN A 94 67.863 9.602 -9.231 1.00 0.00 O ATOM 1132 ND2 ASN A 94 67.074 8.864 -7.334 1.00 0.00 N ATOM 0 H ASN A 94 68.985 9.766 -6.463 1.00 0.00 H new ATOM 0 HA ASN A 94 68.711 7.005 -6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 94 70.098 8.482 -8.540 1.00 0.00 H new ATOM 0 HB3 ASN A 94 69.082 7.059 -8.668 1.00 0.00 H new ATOM 0 HD21 ASN A 94 66.248 9.456 -7.423 1.00 0.00 H new ATOM 0 HD22 ASN A 94 67.182 8.258 -6.520 1.00 0.00 H new ATOM 1139 N VAL A 95 70.952 6.139 -5.475 1.00 0.00 N ATOM 1140 CA VAL A 95 72.271 5.470 -5.267 1.00 0.00 C ATOM 1141 C VAL A 95 72.820 4.990 -6.615 1.00 0.00 C ATOM 1142 O VAL A 95 73.973 5.187 -6.928 1.00 0.00 O ATOM 1143 CB VAL A 95 71.982 4.287 -4.333 1.00 0.00 C ATOM 1144 CG1 VAL A 95 73.267 3.489 -4.107 1.00 0.00 C ATOM 1145 CG2 VAL A 95 71.465 4.804 -2.985 1.00 0.00 C ATOM 0 H VAL A 95 70.212 5.867 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 95 73.019 6.137 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 95 71.227 3.647 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 95 73.062 2.649 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 95 73.636 3.115 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 95 74.020 4.133 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 95 71.261 3.960 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 95 72.218 5.447 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 95 70.548 5.372 -3.141 1.00 0.00 H new ATOM 1155 N PHE A 96 71.997 4.376 -7.422 1.00 0.00 N ATOM 1156 CA PHE A 96 72.472 3.892 -8.761 1.00 0.00 C ATOM 1157 C PHE A 96 73.311 4.976 -9.458 1.00 0.00 C ATOM 1158 O PHE A 96 74.218 4.675 -10.208 1.00 0.00 O ATOM 1159 CB PHE A 96 71.184 3.617 -9.579 1.00 0.00 C ATOM 1160 CG PHE A 96 71.520 2.817 -10.819 1.00 0.00 C ATOM 1161 CD1 PHE A 96 72.425 1.748 -10.752 1.00 0.00 C ATOM 1162 CD2 PHE A 96 70.918 3.148 -12.041 1.00 0.00 C ATOM 1163 CE1 PHE A 96 72.728 1.012 -11.908 1.00 0.00 C ATOM 1164 CE2 PHE A 96 71.221 2.415 -13.194 1.00 0.00 C ATOM 1165 CZ PHE A 96 72.124 1.348 -13.128 1.00 0.00 C ATOM 0 H PHE A 96 71.016 4.186 -7.217 1.00 0.00 H new ATOM 0 HA PHE A 96 73.099 3.006 -8.668 1.00 0.00 H new ATOM 0 HB2 PHE A 96 70.465 3.072 -8.968 1.00 0.00 H new ATOM 0 HB3 PHE A 96 70.714 4.559 -9.860 1.00 0.00 H new ATOM 0 HD1 PHE A 96 72.889 1.491 -9.811 1.00 0.00 H new ATOM 0 HD2 PHE A 96 70.219 3.970 -12.093 1.00 0.00 H new ATOM 0 HE1 PHE A 96 73.425 0.189 -11.858 1.00 0.00 H new ATOM 0 HE2 PHE A 96 70.758 2.673 -14.135 1.00 0.00 H new ATOM 0 HZ PHE A 96 72.356 0.782 -14.018 1.00 0.00 H new ATOM 1175 N TYR A 97 73.009 6.232 -9.239 1.00 0.00 N ATOM 1176 CA TYR A 97 73.788 7.312 -9.919 1.00 0.00 C ATOM 1177 C TYR A 97 74.962 7.808 -9.059 1.00 0.00 C ATOM 1178 O TYR A 97 76.016 8.130 -9.571 1.00 0.00 O ATOM 1179 CB TYR A 97 72.778 8.442 -10.127 1.00 0.00 C ATOM 1180 CG TYR A 97 72.087 8.272 -11.460 1.00 0.00 C ATOM 1181 CD1 TYR A 97 72.676 8.783 -12.625 1.00 0.00 C ATOM 1182 CD2 TYR A 97 70.854 7.609 -11.531 1.00 0.00 C ATOM 1183 CE1 TYR A 97 72.032 8.629 -13.861 1.00 0.00 C ATOM 1184 CE2 TYR A 97 70.211 7.456 -12.767 1.00 0.00 C ATOM 1185 CZ TYR A 97 70.800 7.966 -13.930 1.00 0.00 C ATOM 1186 OH TYR A 97 70.165 7.816 -15.147 1.00 0.00 O ATOM 0 H TYR A 97 72.262 6.554 -8.623 1.00 0.00 H new ATOM 0 HA TYR A 97 74.230 6.953 -10.849 1.00 0.00 H new ATOM 0 HB2 TYR A 97 72.042 8.437 -9.323 1.00 0.00 H new ATOM 0 HB3 TYR A 97 73.285 9.406 -10.090 1.00 0.00 H new ATOM 0 HD1 TYR A 97 73.625 9.295 -12.571 1.00 0.00 H new ATOM 0 HD2 TYR A 97 70.400 7.216 -10.633 1.00 0.00 H new ATOM 0 HE1 TYR A 97 72.486 9.021 -14.759 1.00 0.00 H new ATOM 0 HE2 TYR A 97 69.261 6.945 -12.822 1.00 0.00 H new ATOM 0 HH TYR A 97 69.322 7.333 -15.019 1.00 0.00 H new ATOM 1196 N ALA A 98 74.790 7.900 -7.767 1.00 0.00 N ATOM 1197 CA ALA A 98 75.897 8.406 -6.901 1.00 0.00 C ATOM 1198 C ALA A 98 77.150 7.528 -7.012 1.00 0.00 C ATOM 1199 O ALA A 98 78.202 7.984 -7.412 1.00 0.00 O ATOM 1200 CB ALA A 98 75.337 8.350 -5.480 1.00 0.00 C ATOM 0 H ALA A 98 73.933 7.648 -7.274 1.00 0.00 H new ATOM 0 HA ALA A 98 76.205 9.409 -7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 98 76.090 8.707 -4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 98 74.451 8.981 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 98 75.070 7.322 -5.235 1.00 0.00 H new ATOM 1206 N MET A 99 77.046 6.286 -6.626 1.00 0.00 N ATOM 1207 CA MET A 99 78.227 5.368 -6.665 1.00 0.00 C ATOM 1208 C MET A 99 79.144 5.668 -7.851 1.00 0.00 C ATOM 1209 O MET A 99 78.713 5.737 -8.986 1.00 0.00 O ATOM 1210 CB MET A 99 77.695 3.927 -6.790 1.00 0.00 C ATOM 1211 CG MET A 99 76.171 3.869 -6.939 1.00 0.00 C ATOM 1212 SD MET A 99 75.696 2.266 -7.632 1.00 0.00 S ATOM 1213 CE MET A 99 76.385 2.520 -9.287 1.00 0.00 C ATOM 0 H MET A 99 76.185 5.861 -6.281 1.00 0.00 H new ATOM 0 HA MET A 99 78.812 5.505 -5.756 1.00 0.00 H new ATOM 0 HB2 MET A 99 78.159 3.447 -7.652 1.00 0.00 H new ATOM 0 HB3 MET A 99 77.992 3.357 -5.909 1.00 0.00 H new ATOM 0 HG2 MET A 99 75.694 4.014 -5.970 1.00 0.00 H new ATOM 0 HG3 MET A 99 75.827 4.675 -7.588 1.00 0.00 H new ATOM 0 HE1 MET A 99 75.777 1.989 -10.020 1.00 0.00 H new ATOM 0 HE2 MET A 99 76.388 3.585 -9.521 1.00 0.00 H new ATOM 0 HE3 MET A 99 77.406 2.139 -9.319 1.00 0.00 H new ATOM 1223 N ASN A 100 80.416 5.826 -7.594 1.00 0.00 N ATOM 1224 CA ASN A 100 81.371 6.101 -8.723 1.00 0.00 C ATOM 1225 C ASN A 100 81.251 4.987 -9.771 1.00 0.00 C ATOM 1226 O ASN A 100 81.437 3.824 -9.475 1.00 0.00 O ATOM 1227 CB ASN A 100 82.788 6.109 -8.123 1.00 0.00 C ATOM 1228 CG ASN A 100 83.813 6.100 -9.258 1.00 0.00 C ATOM 1229 OD1 ASN A 100 83.589 6.682 -10.301 1.00 0.00 O ATOM 1230 ND2 ASN A 100 84.938 5.461 -9.096 1.00 0.00 N ATOM 0 H ASN A 100 80.837 5.779 -6.666 1.00 0.00 H new ATOM 0 HA ASN A 100 81.152 7.054 -9.205 1.00 0.00 H new ATOM 0 HB2 ASN A 100 82.927 6.991 -7.498 1.00 0.00 H new ATOM 0 HB3 ASN A 100 82.930 5.239 -7.482 1.00 0.00 H new ATOM 0 HD21 ASN A 100 85.630 5.450 -9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 100 85.126 4.973 -8.220 1.00 0.00 H new ATOM 1237 N SER A 101 80.929 5.332 -10.989 1.00 0.00 N ATOM 1238 CA SER A 101 80.783 4.282 -12.048 1.00 0.00 C ATOM 1239 C SER A 101 82.150 3.710 -12.440 1.00 0.00 C ATOM 1240 O SER A 101 82.307 2.516 -12.605 1.00 0.00 O ATOM 1241 CB SER A 101 80.142 5.001 -13.249 1.00 0.00 C ATOM 1242 OG SER A 101 79.237 4.114 -13.893 1.00 0.00 O ATOM 0 H SER A 101 80.761 6.289 -11.299 1.00 0.00 H new ATOM 0 HA SER A 101 80.179 3.444 -11.701 1.00 0.00 H new ATOM 0 HB2 SER A 101 79.618 5.896 -12.915 1.00 0.00 H new ATOM 0 HB3 SER A 101 80.913 5.325 -13.948 1.00 0.00 H new ATOM 0 HG SER A 101 78.824 4.567 -14.658 1.00 0.00 H new ATOM 1248 N THR A 102 83.140 4.546 -12.604 1.00 0.00 N ATOM 1249 CA THR A 102 84.482 4.049 -12.997 1.00 0.00 C ATOM 1250 C THR A 102 84.941 2.888 -12.094 1.00 0.00 C ATOM 1251 O THR A 102 85.847 2.156 -12.439 1.00 0.00 O ATOM 1252 CB THR A 102 85.394 5.265 -12.828 1.00 0.00 C ATOM 1253 OG1 THR A 102 85.439 5.635 -11.459 1.00 0.00 O ATOM 1254 CG2 THR A 102 84.872 6.444 -13.661 1.00 0.00 C ATOM 0 H THR A 102 83.072 5.556 -12.481 1.00 0.00 H new ATOM 0 HA THR A 102 84.493 3.652 -14.012 1.00 0.00 H new ATOM 0 HB THR A 102 86.395 5.006 -13.173 1.00 0.00 H new ATOM 0 HG1 THR A 102 84.901 6.442 -11.320 1.00 0.00 H new ATOM 0 HG21 THR A 102 85.531 7.302 -13.530 1.00 0.00 H new ATOM 0 HG22 THR A 102 84.847 6.163 -14.714 1.00 0.00 H new ATOM 0 HG23 THR A 102 83.867 6.706 -13.331 1.00 0.00 H new ATOM 1262 N ALA A 103 84.332 2.704 -10.949 1.00 0.00 N ATOM 1263 CA ALA A 103 84.755 1.584 -10.058 1.00 0.00 C ATOM 1264 C ALA A 103 83.715 0.458 -10.086 1.00 0.00 C ATOM 1265 O ALA A 103 83.123 0.175 -11.108 1.00 0.00 O ATOM 1266 CB ALA A 103 84.848 2.197 -8.663 1.00 0.00 C ATOM 0 H ALA A 103 83.566 3.277 -10.596 1.00 0.00 H new ATOM 0 HA ALA A 103 85.702 1.145 -10.372 1.00 0.00 H new ATOM 0 HB1 ALA A 103 85.155 1.432 -7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 103 85.581 3.004 -8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 103 83.875 2.593 -8.374 1.00 0.00 H new ATOM 1272 N ASN A 104 83.488 -0.187 -8.972 1.00 0.00 N ATOM 1273 CA ASN A 104 82.486 -1.294 -8.942 1.00 0.00 C ATOM 1274 C ASN A 104 81.339 -0.957 -7.983 1.00 0.00 C ATOM 1275 O ASN A 104 81.343 0.069 -7.332 1.00 0.00 O ATOM 1276 CB ASN A 104 83.253 -2.515 -8.450 1.00 0.00 C ATOM 1277 CG ASN A 104 82.411 -3.774 -8.670 1.00 0.00 C ATOM 1278 OD1 ASN A 104 81.754 -3.908 -9.684 1.00 0.00 O ATOM 1279 ND2 ASN A 104 82.399 -4.707 -7.757 1.00 0.00 N ATOM 0 H ASN A 104 83.951 0.004 -8.084 1.00 0.00 H new ATOM 0 HA ASN A 104 82.037 -1.462 -9.921 1.00 0.00 H new ATOM 0 HB2 ASN A 104 84.200 -2.601 -8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 104 83.491 -2.405 -7.392 1.00 0.00 H new ATOM 0 HD21 ASN A 104 81.839 -5.548 -7.895 1.00 0.00 H new ATOM 0 HD22 ASN A 104 82.950 -4.595 -6.906 1.00 0.00 H new ATOM 1286 N TYR A 105 80.351 -1.809 -7.901 1.00 0.00 N ATOM 1287 CA TYR A 105 79.196 -1.531 -6.993 1.00 0.00 C ATOM 1288 C TYR A 105 79.407 -2.157 -5.606 1.00 0.00 C ATOM 1289 O TYR A 105 78.543 -2.841 -5.092 1.00 0.00 O ATOM 1290 CB TYR A 105 77.997 -2.171 -7.692 1.00 0.00 C ATOM 1291 CG TYR A 105 77.988 -1.763 -9.146 1.00 0.00 C ATOM 1292 CD1 TYR A 105 78.524 -0.526 -9.529 1.00 0.00 C ATOM 1293 CD2 TYR A 105 77.447 -2.621 -10.112 1.00 0.00 C ATOM 1294 CE1 TYR A 105 78.517 -0.147 -10.879 1.00 0.00 C ATOM 1295 CE2 TYR A 105 77.441 -2.243 -11.461 1.00 0.00 C ATOM 1296 CZ TYR A 105 77.976 -1.005 -11.844 1.00 0.00 C ATOM 1297 OH TYR A 105 77.970 -0.632 -13.172 1.00 0.00 O ATOM 0 H TYR A 105 80.293 -2.684 -8.422 1.00 0.00 H new ATOM 0 HA TYR A 105 79.064 -0.463 -6.822 1.00 0.00 H new ATOM 0 HB2 TYR A 105 78.050 -3.256 -7.608 1.00 0.00 H new ATOM 0 HB3 TYR A 105 77.071 -1.858 -7.209 1.00 0.00 H new ATOM 0 HD1 TYR A 105 78.942 0.135 -8.785 1.00 0.00 H new ATOM 0 HD2 TYR A 105 77.034 -3.574 -9.817 1.00 0.00 H new ATOM 0 HE1 TYR A 105 78.929 0.807 -11.174 1.00 0.00 H new ATOM 0 HE2 TYR A 105 77.024 -2.905 -12.206 1.00 0.00 H new ATOM 0 HH TYR A 105 77.560 -1.342 -13.709 1.00 0.00 H new ATOM 1307 N ASP A 106 80.528 -1.909 -4.982 1.00 0.00 N ATOM 1308 CA ASP A 106 80.756 -2.470 -3.616 1.00 0.00 C ATOM 1309 C ASP A 106 80.262 -1.436 -2.598 1.00 0.00 C ATOM 1310 O ASP A 106 80.473 -0.250 -2.767 1.00 0.00 O ATOM 1311 CB ASP A 106 82.276 -2.668 -3.506 1.00 0.00 C ATOM 1312 CG ASP A 106 82.769 -3.484 -4.700 1.00 0.00 C ATOM 1313 OD1 ASP A 106 82.277 -4.584 -4.886 1.00 0.00 O ATOM 1314 OD2 ASP A 106 83.633 -2.995 -5.408 1.00 0.00 O ATOM 0 H ASP A 106 81.292 -1.346 -5.355 1.00 0.00 H new ATOM 0 HA ASP A 106 80.232 -3.408 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 106 82.779 -1.701 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 106 82.521 -3.180 -2.575 1.00 0.00 H new ATOM 1319 N PHE A 107 79.572 -1.851 -1.569 1.00 0.00 N ATOM 1320 CA PHE A 107 79.044 -0.840 -0.604 1.00 0.00 C ATOM 1321 C PHE A 107 79.334 -1.229 0.852 1.00 0.00 C ATOM 1322 O PHE A 107 79.168 -2.368 1.255 1.00 0.00 O ATOM 1323 CB PHE A 107 77.517 -0.855 -0.861 1.00 0.00 C ATOM 1324 CG PHE A 107 77.182 -0.017 -2.063 1.00 0.00 C ATOM 1325 CD1 PHE A 107 77.555 -0.467 -3.336 1.00 0.00 C ATOM 1326 CD2 PHE A 107 76.481 1.186 -1.921 1.00 0.00 C ATOM 1327 CE1 PHE A 107 77.232 0.285 -4.467 1.00 0.00 C ATOM 1328 CE2 PHE A 107 76.156 1.939 -3.058 1.00 0.00 C ATOM 1329 CZ PHE A 107 76.533 1.487 -4.330 1.00 0.00 C ATOM 0 H PHE A 107 79.354 -2.824 -1.356 1.00 0.00 H new ATOM 0 HA PHE A 107 79.505 0.137 -0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 107 77.178 -1.879 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 107 76.990 -0.475 0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 107 78.093 -1.397 -3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 107 76.192 1.533 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 107 77.522 -0.062 -5.448 1.00 0.00 H new ATOM 0 HE2 PHE A 107 75.615 2.868 -2.954 1.00 0.00 H new ATOM 0 HZ PHE A 107 76.283 2.068 -5.205 1.00 0.00 H new ATOM 1339 N VAL A 108 79.743 -0.281 1.659 1.00 0.00 N ATOM 1340 CA VAL A 108 80.000 -0.595 3.089 1.00 0.00 C ATOM 1341 C VAL A 108 78.878 -0.005 3.943 1.00 0.00 C ATOM 1342 O VAL A 108 78.510 1.144 3.805 1.00 0.00 O ATOM 1343 CB VAL A 108 81.344 0.053 3.415 1.00 0.00 C ATOM 1344 CG1 VAL A 108 81.486 0.217 4.929 1.00 0.00 C ATOM 1345 CG2 VAL A 108 82.474 -0.834 2.891 1.00 0.00 C ATOM 0 H VAL A 108 79.908 0.688 1.387 1.00 0.00 H new ATOM 0 HA VAL A 108 80.028 -1.666 3.288 1.00 0.00 H new ATOM 0 HB VAL A 108 81.397 1.033 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 108 82.446 0.680 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 108 80.681 0.849 5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 108 81.432 -0.761 5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 108 83.435 -0.374 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 108 82.417 -1.814 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 108 82.377 -0.947 1.811 1.00 0.00 H new ATOM 1355 N LEU A 109 78.326 -0.792 4.819 1.00 0.00 N ATOM 1356 CA LEU A 109 77.222 -0.301 5.685 1.00 0.00 C ATOM 1357 C LEU A 109 77.771 -0.010 7.077 1.00 0.00 C ATOM 1358 O LEU A 109 78.130 -0.912 7.808 1.00 0.00 O ATOM 1359 CB LEU A 109 76.233 -1.461 5.724 1.00 0.00 C ATOM 1360 CG LEU A 109 75.074 -1.134 6.665 1.00 0.00 C ATOM 1361 CD1 LEU A 109 74.188 -0.057 6.031 1.00 0.00 C ATOM 1362 CD2 LEU A 109 74.246 -2.398 6.904 1.00 0.00 C ATOM 0 H LEU A 109 78.595 -1.764 4.974 1.00 0.00 H new ATOM 0 HA LEU A 109 76.759 0.617 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 109 75.853 -1.658 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 109 76.738 -2.368 6.058 1.00 0.00 H new ATOM 0 HG LEU A 109 75.466 -0.768 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 109 73.362 0.176 6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 109 74.778 0.843 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 109 73.793 -0.422 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 109 73.418 -2.169 7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 109 73.854 -2.761 5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 109 74.876 -3.166 7.354 1.00 0.00 H new ATOM 1374 N LYS A 110 77.854 1.232 7.455 1.00 0.00 N ATOM 1375 CA LYS A 110 78.402 1.531 8.807 1.00 0.00 C ATOM 1376 C LYS A 110 77.313 2.116 9.708 1.00 0.00 C ATOM 1377 O LYS A 110 76.389 2.755 9.253 1.00 0.00 O ATOM 1378 CB LYS A 110 79.527 2.538 8.571 1.00 0.00 C ATOM 1379 CG LYS A 110 80.770 2.115 9.359 1.00 0.00 C ATOM 1380 CD LYS A 110 81.779 1.456 8.416 1.00 0.00 C ATOM 1381 CE LYS A 110 82.975 2.389 8.216 1.00 0.00 C ATOM 1382 NZ LYS A 110 82.428 3.563 7.482 1.00 0.00 N ATOM 0 H LYS A 110 77.573 2.040 6.900 1.00 0.00 H new ATOM 0 HA LYS A 110 78.768 0.636 9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 110 79.760 2.595 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 110 79.209 3.533 8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 110 81.220 2.983 9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 110 80.491 1.421 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 110 82.112 0.504 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 110 81.309 1.239 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 110 83.407 2.687 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 110 83.766 1.901 7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 83.208 4.093 7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 81.773 3.236 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 81.920 4.181 8.146 1.00 0.00 H new ATOM 1396 N LYS A 111 77.420 1.890 10.986 1.00 0.00 N ATOM 1397 CA LYS A 111 76.402 2.421 11.936 1.00 0.00 C ATOM 1398 C LYS A 111 76.787 3.827 12.368 1.00 0.00 C ATOM 1399 O LYS A 111 77.930 4.215 12.244 1.00 0.00 O ATOM 1400 CB LYS A 111 76.447 1.444 13.117 1.00 0.00 C ATOM 1401 CG LYS A 111 75.063 1.318 13.756 1.00 0.00 C ATOM 1402 CD LYS A 111 74.986 0.008 14.541 1.00 0.00 C ATOM 1403 CE LYS A 111 75.778 0.144 15.843 1.00 0.00 C ATOM 1404 NZ LYS A 111 74.784 0.611 16.850 1.00 0.00 N ATOM 0 H LYS A 111 78.174 1.356 11.418 1.00 0.00 H new ATOM 0 HA LYS A 111 75.403 2.492 11.505 1.00 0.00 H new ATOM 0 HB2 LYS A 111 76.788 0.466 12.776 1.00 0.00 H new ATOM 0 HB3 LYS A 111 77.167 1.792 13.858 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.877 2.164 14.418 1.00 0.00 H new ATOM 0 HG3 LYS A 111 74.291 1.340 12.987 1.00 0.00 H new ATOM 0 HD2 LYS A 111 73.946 -0.236 14.759 1.00 0.00 H new ATOM 0 HD3 LYS A 111 75.387 -0.810 13.943 1.00 0.00 H new ATOM 0 HE2 LYS A 111 76.221 -0.808 16.137 1.00 0.00 H new ATOM 0 HE3 LYS A 111 76.596 0.857 15.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 75.270 0.825 17.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 74.311 1.468 16.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 74.076 -0.134 17.011 1.00 0.00 H new ATOM 1418 N ARG A 112 75.854 4.602 12.868 1.00 0.00 N ATOM 1419 CA ARG A 112 76.201 5.985 13.308 1.00 0.00 C ATOM 1420 C ARG A 112 77.166 5.926 14.496 1.00 0.00 C ATOM 1421 O ARG A 112 76.916 6.465 15.554 1.00 0.00 O ATOM 1422 CB ARG A 112 74.873 6.629 13.716 1.00 0.00 C ATOM 1423 CG ARG A 112 74.849 8.089 13.256 1.00 0.00 C ATOM 1424 CD ARG A 112 73.715 8.830 13.968 1.00 0.00 C ATOM 1425 NE ARG A 112 73.486 10.057 13.153 1.00 0.00 N ATOM 1426 CZ ARG A 112 72.515 10.873 13.461 1.00 0.00 C ATOM 1427 NH1 ARG A 112 72.380 11.296 14.689 1.00 0.00 N ATOM 1428 NH2 ARG A 112 71.676 11.267 12.541 1.00 0.00 N ATOM 0 H ARG A 112 74.876 4.337 12.989 1.00 0.00 H new ATOM 0 HA ARG A 112 76.695 6.558 12.523 1.00 0.00 H new ATOM 0 HB2 ARG A 112 74.041 6.083 13.272 1.00 0.00 H new ATOM 0 HB3 ARG A 112 74.748 6.576 14.798 1.00 0.00 H new ATOM 0 HG2 ARG A 112 75.804 8.566 13.476 1.00 0.00 H new ATOM 0 HG3 ARG A 112 74.709 8.139 12.176 1.00 0.00 H new ATOM 0 HD2 ARG A 112 72.815 8.217 14.021 1.00 0.00 H new ATOM 0 HD3 ARG A 112 73.990 9.082 14.992 1.00 0.00 H new ATOM 0 HE ARG A 112 74.088 10.259 12.355 1.00 0.00 H new ATOM 0 HH11 ARG A 112 73.034 10.989 15.409 1.00 0.00 H new ATOM 0 HH12 ARG A 112 71.621 11.934 14.928 1.00 0.00 H new ATOM 0 HH21 ARG A 112 71.779 10.937 11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 112 70.917 11.905 12.782 1.00 0.00 H new ATOM 1442 N THR A 113 78.266 5.260 14.307 1.00 0.00 N ATOM 1443 CA THR A 113 79.284 5.127 15.390 1.00 0.00 C ATOM 1444 C THR A 113 80.235 6.321 15.389 1.00 0.00 C ATOM 1445 O THR A 113 79.993 7.324 14.746 1.00 0.00 O ATOM 1446 CB THR A 113 80.044 3.845 15.048 1.00 0.00 C ATOM 1447 OG1 THR A 113 80.374 3.848 13.666 1.00 0.00 O ATOM 1448 CG2 THR A 113 79.169 2.630 15.363 1.00 0.00 C ATOM 0 H THR A 113 78.510 4.793 13.434 1.00 0.00 H new ATOM 0 HA THR A 113 78.828 5.093 16.379 1.00 0.00 H new ATOM 0 HB THR A 113 80.957 3.794 15.641 1.00 0.00 H new ATOM 0 HG1 THR A 113 80.863 3.028 13.445 1.00 0.00 H new ATOM 0 HG21 THR A 113 79.712 1.717 15.119 1.00 0.00 H new ATOM 0 HG22 THR A 113 78.916 2.629 16.423 1.00 0.00 H new ATOM 0 HG23 THR A 113 78.254 2.677 14.772 1.00 0.00 H new ATOM 1456 N PHE A 114 81.312 6.209 16.118 1.00 0.00 N ATOM 1457 CA PHE A 114 82.316 7.320 16.194 1.00 0.00 C ATOM 1458 C PHE A 114 81.809 8.426 17.120 1.00 0.00 C ATOM 1459 O PHE A 114 81.351 9.462 16.678 1.00 0.00 O ATOM 1460 CB PHE A 114 82.475 7.842 14.762 1.00 0.00 C ATOM 1461 CG PHE A 114 83.871 8.389 14.573 1.00 0.00 C ATOM 1462 CD1 PHE A 114 84.950 7.510 14.403 1.00 0.00 C ATOM 1463 CD2 PHE A 114 84.088 9.773 14.565 1.00 0.00 C ATOM 1464 CE1 PHE A 114 86.245 8.016 14.225 1.00 0.00 C ATOM 1465 CE2 PHE A 114 85.383 10.279 14.387 1.00 0.00 C ATOM 1466 CZ PHE A 114 86.460 9.400 14.216 1.00 0.00 C ATOM 0 H PHE A 114 81.546 5.386 16.673 1.00 0.00 H new ATOM 0 HA PHE A 114 83.269 6.977 16.597 1.00 0.00 H new ATOM 0 HB2 PHE A 114 82.289 7.039 14.049 1.00 0.00 H new ATOM 0 HB3 PHE A 114 81.739 8.621 14.564 1.00 0.00 H new ATOM 0 HD1 PHE A 114 84.783 6.443 14.409 1.00 0.00 H new ATOM 0 HD2 PHE A 114 83.257 10.450 14.696 1.00 0.00 H new ATOM 0 HE1 PHE A 114 87.076 7.339 14.095 1.00 0.00 H new ATOM 0 HE2 PHE A 114 85.550 11.346 14.382 1.00 0.00 H new ATOM 0 HZ PHE A 114 87.458 9.790 14.077 1.00 0.00 H new ATOM 1476 N THR A 115 81.891 8.212 18.405 1.00 0.00 N ATOM 1477 CA THR A 115 81.419 9.248 19.368 1.00 0.00 C ATOM 1478 C THR A 115 82.585 10.143 19.797 1.00 0.00 C ATOM 1479 O THR A 115 83.700 9.943 19.349 1.00 0.00 O ATOM 1480 CB THR A 115 80.882 8.458 20.562 1.00 0.00 C ATOM 1481 OG1 THR A 115 80.541 9.358 21.608 1.00 0.00 O ATOM 1482 CG2 THR A 115 81.954 7.484 21.054 1.00 0.00 C ATOM 1483 OXT THR A 115 82.325 11.046 20.600 1.00 0.00 O ATOM 0 H THR A 115 82.265 7.364 18.830 1.00 0.00 H new ATOM 0 HA THR A 115 80.661 9.901 18.935 1.00 0.00 H new ATOM 0 HB THR A 115 79.997 7.899 20.260 1.00 0.00 H new ATOM 0 HG1 THR A 115 80.913 10.243 21.412 1.00 0.00 H new ATOM 0 HG21 THR A 115 81.571 6.921 21.905 1.00 0.00 H new ATOM 0 HG22 THR A 115 82.216 6.795 20.251 1.00 0.00 H new ATOM 0 HG23 THR A 115 82.840 8.041 21.357 1.00 0.00 H new TER 1491 THR A 115