USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 814 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 74 THR OG1 : rot -87:sc= 0.0221 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 62 THR OG1 : rot 130:sc= 0.689 USER MOD Set 2.2: A 66 GLN : amide:sc= 1.04 K(o=1.7,f=-0.19!) USER MOD Set 3.1: A 19 HIS :FLIP no HE2:sc= -8.16! C(o=-11!,f=-8.9!) USER MOD Set 3.2: A 21 MET CE :methyl -129:sc= -0.65 (180deg=0) USER MOD Set 3.3: A 87 HIS : no HD1:sc= -0.0912 X(o=-8.9,f=-9.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 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 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -11.7! C(o=-12!,f=-15!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0712 K(o=-0.071,f=-1.1) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.2!) USER MOD Single : A 35 GLN : amide:sc= -0.742 K(o=-0.74,f=-4.8!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.38! C(o=-3.4!,f=-4.5!) USER MOD Single : A 46 HIS : no HE2:sc= -1.52! C(o=-1.5!,f=-6.7!) USER MOD Single : A 50 ASN : amide:sc= -0.568! C(o=-0.57!,f=-8.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.9!) USER MOD Single : A 59 MET CE :methyl -176:sc= -1.15 (180deg=-1.25) USER MOD Single : A 61 THR OG1 : rot -15:sc= 0.0799 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0725 X(o=-0.073,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 140:sc= 0.896 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.693 -0.951 13.877 1.00 0.00 N ATOM 2 CA GLY A 1 -5.790 -0.111 14.320 1.00 0.00 C ATOM 3 C GLY A 1 -5.508 1.365 14.118 1.00 0.00 C ATOM 4 O GLY A 1 -5.725 1.904 13.033 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.934 -1.950 14.036 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.522 -0.793 12.863 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.835 -0.713 14.414 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.694 -0.383 13.776 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.985 -0.299 15.376 1.00 0.00 H new ATOM 8 N SER A 2 -5.022 2.021 15.168 1.00 0.00 N ATOM 9 CA SER A 2 -4.715 3.445 15.104 1.00 0.00 C ATOM 10 C SER A 2 -5.929 4.242 14.636 1.00 0.00 C ATOM 11 O SER A 2 -6.158 4.399 13.437 1.00 0.00 O ATOM 12 CB SER A 2 -3.536 3.691 14.161 1.00 0.00 C ATOM 13 OG SER A 2 -2.405 2.930 14.549 1.00 0.00 O ATOM 0 H SER A 2 -4.833 1.589 16.072 1.00 0.00 H new ATOM 0 HA SER A 2 -4.447 3.779 16.106 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.821 3.431 13.142 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.282 4.751 14.160 1.00 0.00 H new ATOM 0 HG SER A 2 -1.666 3.104 13.930 1.00 0.00 H new ATOM 19 N SER A 3 -6.704 4.744 15.593 1.00 0.00 N ATOM 20 CA SER A 3 -7.897 5.522 15.282 1.00 0.00 C ATOM 21 C SER A 3 -8.838 4.733 14.375 1.00 0.00 C ATOM 22 O SER A 3 -8.806 4.876 13.154 1.00 0.00 O ATOM 23 CB SER A 3 -7.510 6.841 14.610 1.00 0.00 C ATOM 24 OG SER A 3 -7.183 7.827 15.574 1.00 0.00 O ATOM 0 H SER A 3 -6.526 4.625 16.590 1.00 0.00 H new ATOM 0 HA SER A 3 -8.415 5.737 16.216 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.660 6.680 13.947 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.335 7.193 13.990 1.00 0.00 H new ATOM 0 HG SER A 3 -6.938 8.660 15.120 1.00 0.00 H new ATOM 30 N GLY A 4 -9.676 3.901 14.984 1.00 0.00 N ATOM 31 CA GLY A 4 -10.615 3.102 14.219 1.00 0.00 C ATOM 32 C GLY A 4 -11.903 3.844 13.925 1.00 0.00 C ATOM 33 O GLY A 4 -12.485 4.466 14.813 1.00 0.00 O ATOM 0 H GLY A 4 -9.722 3.766 15.994 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.150 2.801 13.280 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.843 2.189 14.769 1.00 0.00 H new ATOM 37 N SER A 5 -12.350 3.780 12.675 1.00 0.00 N ATOM 38 CA SER A 5 -13.575 4.456 12.264 1.00 0.00 C ATOM 39 C SER A 5 -14.398 3.571 11.333 1.00 0.00 C ATOM 40 O SER A 5 -13.863 2.951 10.415 1.00 0.00 O ATOM 41 CB SER A 5 -13.244 5.779 11.569 1.00 0.00 C ATOM 42 OG SER A 5 -13.142 6.836 12.507 1.00 0.00 O ATOM 0 H SER A 5 -11.882 3.266 11.929 1.00 0.00 H new ATOM 0 HA SER A 5 -14.165 4.661 13.157 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.306 5.682 11.023 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.017 6.012 10.836 1.00 0.00 H new ATOM 0 HG SER A 5 -12.928 7.670 12.038 1.00 0.00 H new ATOM 48 N SER A 6 -15.703 3.518 11.579 1.00 0.00 N ATOM 49 CA SER A 6 -16.601 2.706 10.766 1.00 0.00 C ATOM 50 C SER A 6 -17.706 3.563 10.156 1.00 0.00 C ATOM 51 O SER A 6 -18.315 4.387 10.836 1.00 0.00 O ATOM 52 CB SER A 6 -17.216 1.587 11.609 1.00 0.00 C ATOM 53 OG SER A 6 -17.437 0.424 10.830 1.00 0.00 O ATOM 0 H SER A 6 -16.162 4.027 12.334 1.00 0.00 H new ATOM 0 HA SER A 6 -16.019 2.264 9.957 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.555 1.350 12.442 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.159 1.926 12.037 1.00 0.00 H new ATOM 0 HG SER A 6 -17.829 -0.277 11.392 1.00 0.00 H new ATOM 59 N GLY A 7 -17.959 3.363 8.866 1.00 0.00 N ATOM 60 CA GLY A 7 -18.989 4.125 8.184 1.00 0.00 C ATOM 61 C GLY A 7 -19.429 3.474 6.888 1.00 0.00 C ATOM 62 O GLY A 7 -20.445 2.782 6.848 1.00 0.00 O ATOM 0 H GLY A 7 -17.469 2.686 8.281 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.851 4.236 8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.617 5.128 7.975 1.00 0.00 H new ATOM 66 N GLN A 8 -18.664 3.699 5.825 1.00 0.00 N ATOM 67 CA GLN A 8 -18.982 3.131 4.521 1.00 0.00 C ATOM 68 C GLN A 8 -20.282 3.714 3.975 1.00 0.00 C ATOM 69 O GLN A 8 -21.371 3.360 4.426 1.00 0.00 O ATOM 70 CB GLN A 8 -19.094 1.608 4.618 1.00 0.00 C ATOM 71 CG GLN A 8 -18.906 0.899 3.286 1.00 0.00 C ATOM 72 CD GLN A 8 -17.621 0.096 3.230 1.00 0.00 C ATOM 73 OE1 GLN A 8 -16.533 0.654 3.081 1.00 0.00 O ATOM 74 NE2 GLN A 8 -17.740 -1.221 3.347 1.00 0.00 N ATOM 0 H GLN A 8 -17.819 4.271 5.841 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.174 3.386 3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -18.349 1.241 5.324 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.072 1.349 5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -19.753 0.236 3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -18.905 1.636 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.661 -1.641 3.469 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.910 -1.813 3.315 1.00 0.00 H new ATOM 83 N LYS A 9 -20.159 4.612 3.003 1.00 0.00 N ATOM 84 CA LYS A 9 -21.323 5.246 2.395 1.00 0.00 C ATOM 85 C LYS A 9 -20.983 5.795 1.013 1.00 0.00 C ATOM 86 O LYS A 9 -20.534 6.933 0.881 1.00 0.00 O ATOM 87 CB LYS A 9 -21.843 6.372 3.291 1.00 0.00 C ATOM 88 CG LYS A 9 -23.286 6.186 3.727 1.00 0.00 C ATOM 89 CD LYS A 9 -23.791 7.384 4.513 1.00 0.00 C ATOM 90 CE LYS A 9 -24.232 6.987 5.913 1.00 0.00 C ATOM 91 NZ LYS A 9 -24.179 8.137 6.858 1.00 0.00 N ATOM 0 H LYS A 9 -19.264 4.917 2.619 1.00 0.00 H new ATOM 0 HA LYS A 9 -22.101 4.491 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -21.211 6.442 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -21.752 7.319 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -23.915 6.034 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -23.369 5.288 4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -23.004 8.136 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -24.627 7.842 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -25.248 6.594 5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -23.593 6.184 6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -24.487 7.826 7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -23.205 8.496 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -24.808 8.893 6.520 1.00 0.00 H new ATOM 105 N GLY A 10 -21.202 4.981 -0.014 1.00 0.00 N ATOM 106 CA GLY A 10 -20.915 5.406 -1.371 1.00 0.00 C ATOM 107 C GLY A 10 -19.429 5.577 -1.623 1.00 0.00 C ATOM 108 O GLY A 10 -18.620 5.458 -0.703 1.00 0.00 O ATOM 0 H GLY A 10 -21.573 4.035 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -21.317 4.673 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.425 6.349 -1.569 1.00 0.00 H new ATOM 112 N ARG A 11 -19.071 5.854 -2.872 1.00 0.00 N ATOM 113 CA ARG A 11 -17.673 6.040 -3.243 1.00 0.00 C ATOM 114 C ARG A 11 -17.298 7.519 -3.231 1.00 0.00 C ATOM 115 O ARG A 11 -18.161 8.390 -3.340 1.00 0.00 O ATOM 116 CB ARG A 11 -17.408 5.447 -4.628 1.00 0.00 C ATOM 117 CG ARG A 11 -17.661 3.950 -4.708 1.00 0.00 C ATOM 118 CD ARG A 11 -19.018 3.647 -5.323 1.00 0.00 C ATOM 119 NE ARG A 11 -18.919 2.706 -6.435 1.00 0.00 N ATOM 120 CZ ARG A 11 -19.938 1.977 -6.875 1.00 0.00 C ATOM 121 NH1 ARG A 11 -21.128 2.080 -6.299 1.00 0.00 N ATOM 122 NH2 ARG A 11 -19.769 1.142 -7.892 1.00 0.00 N ATOM 0 H ARG A 11 -19.729 5.955 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 11 -17.057 5.521 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -18.040 5.953 -5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.374 5.648 -4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -16.878 3.479 -5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -17.608 3.517 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.678 3.237 -4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.472 4.574 -5.672 1.00 0.00 H new ATOM 0 HE ARG A 11 -18.017 2.603 -6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -21.262 2.720 -5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -21.909 1.519 -6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.855 1.059 -8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.553 0.583 -8.229 1.00 0.00 H new ATOM 136 N VAL A 12 -16.005 7.795 -3.096 1.00 0.00 N ATOM 137 CA VAL A 12 -15.515 9.168 -3.070 1.00 0.00 C ATOM 138 C VAL A 12 -14.090 9.253 -3.604 1.00 0.00 C ATOM 139 O VAL A 12 -13.154 8.748 -2.984 1.00 0.00 O ATOM 140 CB VAL A 12 -15.554 9.751 -1.645 1.00 0.00 C ATOM 141 CG1 VAL A 12 -16.893 10.422 -1.378 1.00 0.00 C ATOM 142 CG2 VAL A 12 -15.280 8.662 -0.617 1.00 0.00 C ATOM 0 H VAL A 12 -15.278 7.086 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.175 9.752 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.773 10.506 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.901 10.828 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -17.044 11.230 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.694 9.690 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.311 9.091 0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.037 7.883 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.295 8.232 -0.797 1.00 0.00 H new ATOM 152 N GLU A 13 -13.933 9.897 -4.756 1.00 0.00 N ATOM 153 CA GLU A 13 -12.620 10.048 -5.373 1.00 0.00 C ATOM 154 C GLU A 13 -11.765 11.046 -4.597 1.00 0.00 C ATOM 155 O GLU A 13 -11.935 12.259 -4.727 1.00 0.00 O ATOM 156 CB GLU A 13 -12.764 10.505 -6.826 1.00 0.00 C ATOM 157 CG GLU A 13 -13.314 9.431 -7.749 1.00 0.00 C ATOM 158 CD GLU A 13 -14.277 9.986 -8.781 1.00 0.00 C ATOM 159 OE1 GLU A 13 -15.461 10.187 -8.438 1.00 0.00 O ATOM 160 OE2 GLU A 13 -13.848 10.218 -9.930 1.00 0.00 O ATOM 0 H GLU A 13 -14.698 10.322 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.124 9.078 -5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.421 11.374 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.790 10.826 -7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.487 8.936 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.822 8.672 -7.155 1.00 0.00 H new ATOM 167 N THR A 14 -10.848 10.527 -3.788 1.00 0.00 N ATOM 168 CA THR A 14 -9.968 11.372 -2.989 1.00 0.00 C ATOM 169 C THR A 14 -8.503 11.024 -3.232 1.00 0.00 C ATOM 170 O THR A 14 -8.187 10.163 -4.053 1.00 0.00 O ATOM 171 CB THR A 14 -10.273 11.237 -1.485 1.00 0.00 C ATOM 172 OG1 THR A 14 -9.722 10.014 -0.981 1.00 0.00 O ATOM 173 CG2 THR A 14 -11.773 11.265 -1.233 1.00 0.00 C ATOM 0 H THR A 14 -10.695 9.526 -3.668 1.00 0.00 H new ATOM 0 HA THR A 14 -10.151 12.401 -3.298 1.00 0.00 H new ATOM 0 HB THR A 14 -9.817 12.081 -0.967 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.919 9.936 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.964 11.168 -0.164 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.185 12.209 -1.591 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.246 10.438 -1.763 1.00 0.00 H new ATOM 181 N ARG A 15 -7.612 11.699 -2.512 1.00 0.00 N ATOM 182 CA ARG A 15 -6.181 11.462 -2.650 1.00 0.00 C ATOM 183 C ARG A 15 -5.883 9.967 -2.732 1.00 0.00 C ATOM 184 O ARG A 15 -6.693 9.139 -2.315 1.00 0.00 O ATOM 185 CB ARG A 15 -5.424 12.079 -1.474 1.00 0.00 C ATOM 186 CG ARG A 15 -5.937 11.631 -0.115 1.00 0.00 C ATOM 187 CD ARG A 15 -6.503 12.796 0.680 1.00 0.00 C ATOM 188 NE ARG A 15 -5.513 13.850 0.885 1.00 0.00 N ATOM 189 CZ ARG A 15 -5.824 15.090 1.250 1.00 0.00 C ATOM 190 NH1 ARG A 15 -7.090 15.428 1.449 1.00 0.00 N ATOM 191 NH2 ARG A 15 -4.867 15.994 1.416 1.00 0.00 N ATOM 0 H ARG A 15 -7.857 12.414 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.848 11.933 -3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.368 11.821 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.493 13.165 -1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.708 10.872 -0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.126 11.167 0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.367 13.206 0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.857 12.438 1.647 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.529 13.622 0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.829 14.736 1.322 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.326 16.380 1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.892 15.738 1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.107 16.945 1.696 1.00 0.00 H new ATOM 205 N ARG A 16 -4.716 9.631 -3.271 1.00 0.00 N ATOM 206 CA ARG A 16 -4.312 8.237 -3.410 1.00 0.00 C ATOM 207 C ARG A 16 -3.195 7.895 -2.428 1.00 0.00 C ATOM 208 O ARG A 16 -2.046 8.296 -2.615 1.00 0.00 O ATOM 209 CB ARG A 16 -3.852 7.956 -4.841 1.00 0.00 C ATOM 210 CG ARG A 16 -4.556 8.806 -5.885 1.00 0.00 C ATOM 211 CD ARG A 16 -3.940 10.193 -5.984 1.00 0.00 C ATOM 212 NE ARG A 16 -4.929 11.246 -5.774 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.613 12.520 -5.564 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.341 12.894 -5.537 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.569 13.421 -5.383 1.00 0.00 N ATOM 0 H ARG A 16 -4.034 10.305 -3.619 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.175 7.611 -3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.778 8.128 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.021 6.903 -5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.500 8.312 -6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.613 8.893 -5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.144 10.290 -5.245 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.481 10.317 -6.965 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.916 10.990 -5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.603 12.204 -5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.100 13.872 -5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.548 13.137 -5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.325 14.398 -5.222 1.00 0.00 H new ATOM 229 N VAL A 17 -3.540 7.151 -1.382 1.00 0.00 N ATOM 230 CA VAL A 17 -2.566 6.755 -0.371 1.00 0.00 C ATOM 231 C VAL A 17 -2.809 5.323 0.094 1.00 0.00 C ATOM 232 O VAL A 17 -3.586 5.083 1.018 1.00 0.00 O ATOM 233 CB VAL A 17 -2.610 7.694 0.849 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.657 7.209 1.931 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.278 9.120 0.436 1.00 0.00 C ATOM 0 H VAL A 17 -4.486 6.810 -1.212 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.582 6.821 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.621 7.684 1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.702 7.885 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.945 6.206 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.641 7.188 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.314 9.770 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.278 9.150 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.004 9.464 -0.301 1.00 0.00 H new ATOM 245 N VAL A 18 -2.137 4.375 -0.551 1.00 0.00 N ATOM 246 CA VAL A 18 -2.278 2.967 -0.203 1.00 0.00 C ATOM 247 C VAL A 18 -1.392 2.602 0.983 1.00 0.00 C ATOM 248 O VAL A 18 -0.166 2.561 0.866 1.00 0.00 O ATOM 249 CB VAL A 18 -1.924 2.056 -1.394 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.724 2.608 -2.149 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.658 0.636 -0.917 1.00 0.00 C ATOM 0 H VAL A 18 -1.489 4.557 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.323 2.811 0.066 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.773 2.032 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.488 1.952 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.957 3.605 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.134 2.663 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.409 0.006 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.826 0.638 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.548 0.245 -0.424 1.00 0.00 H new ATOM 261 N HIS A 19 -2.020 2.338 2.123 1.00 0.00 N ATOM 262 CA HIS A 19 -1.287 1.975 3.332 1.00 0.00 C ATOM 263 C HIS A 19 -0.983 0.480 3.355 1.00 0.00 C ATOM 264 O HIS A 19 -1.850 -0.345 3.065 1.00 0.00 O ATOM 265 CB HIS A 19 -2.089 2.362 4.575 1.00 0.00 C ATOM 266 CG HIS A 19 -1.399 2.027 5.862 1.00 0.00 C ATOM 267 ND1 HIS A 19 -0.084 1.878 6.149 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -2.075 1.801 7.042 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 0.009 1.570 7.483 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -1.206 1.531 7.999 1.00 0.00 N flip ATOM 0 H HIS A 19 -3.033 2.368 2.236 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.343 2.520 3.332 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.290 3.433 4.548 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.054 1.855 4.547 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.693 1.976 5.495 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.147 1.839 7.165 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.927 1.389 8.023 1.00 0.00 H new ATOM 278 N ILE A 20 0.254 0.138 3.699 1.00 0.00 N ATOM 279 CA ILE A 20 0.673 -1.257 3.760 1.00 0.00 C ATOM 280 C ILE A 20 1.410 -1.554 5.061 1.00 0.00 C ATOM 281 O ILE A 20 2.371 -0.869 5.412 1.00 0.00 O ATOM 282 CB ILE A 20 1.582 -1.623 2.573 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.993 -1.088 1.266 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.771 -3.131 2.496 1.00 0.00 C ATOM 285 CD1 ILE A 20 2.018 -0.443 0.360 1.00 0.00 C ATOM 0 H ILE A 20 0.984 0.808 3.940 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.233 -1.861 3.713 1.00 0.00 H new ATOM 0 HB ILE A 20 2.557 -1.161 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.512 -1.907 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.216 -0.360 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.416 -3.374 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.230 -3.488 3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.802 -3.613 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.529 -0.087 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.482 0.398 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.783 -1.174 0.097 1.00 0.00 H new ATOM 297 N MET A 21 0.955 -2.580 5.772 1.00 0.00 N ATOM 298 CA MET A 21 1.573 -2.970 7.034 1.00 0.00 C ATOM 299 C MET A 21 1.872 -4.466 7.053 1.00 0.00 C ATOM 300 O MET A 21 1.355 -5.223 6.231 1.00 0.00 O ATOM 301 CB MET A 21 0.663 -2.604 8.208 1.00 0.00 C ATOM 302 CG MET A 21 -0.124 -1.321 7.989 1.00 0.00 C ATOM 303 SD MET A 21 -1.907 -1.589 7.999 1.00 0.00 S ATOM 304 CE MET A 21 -2.288 -1.394 6.260 1.00 0.00 C ATOM 0 H MET A 21 0.160 -3.157 5.496 1.00 0.00 H new ATOM 0 HA MET A 21 2.514 -2.428 7.132 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.034 -3.423 8.386 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.269 -2.500 9.108 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.136 -0.603 8.767 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.168 -0.879 7.036 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.107 -0.684 6.144 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.408 -1.022 5.734 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.581 -2.357 5.841 1.00 0.00 H new ATOM 314 N ASP A 22 2.707 -4.885 7.997 1.00 0.00 N ATOM 315 CA ASP A 22 3.074 -6.291 8.123 1.00 0.00 C ATOM 316 C ASP A 22 4.213 -6.644 7.173 1.00 0.00 C ATOM 317 O ASP A 22 4.967 -7.587 7.415 1.00 0.00 O ATOM 318 CB ASP A 22 1.863 -7.183 7.842 1.00 0.00 C ATOM 319 CG ASP A 22 1.786 -8.370 8.783 1.00 0.00 C ATOM 320 OD1 ASP A 22 2.844 -8.969 9.070 1.00 0.00 O ATOM 321 OD2 ASP A 22 0.669 -8.698 9.232 1.00 0.00 O ATOM 0 H ASP A 22 3.142 -4.272 8.686 1.00 0.00 H new ATOM 0 HA ASP A 22 3.413 -6.462 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.952 -6.592 7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.910 -7.541 6.814 1.00 0.00 H new ATOM 326 N PHE A 23 4.333 -5.880 6.092 1.00 0.00 N ATOM 327 CA PHE A 23 5.379 -6.113 5.103 1.00 0.00 C ATOM 328 C PHE A 23 6.750 -6.187 5.770 1.00 0.00 C ATOM 329 O PHE A 23 6.941 -5.684 6.876 1.00 0.00 O ATOM 330 CB PHE A 23 5.370 -5.005 4.050 1.00 0.00 C ATOM 331 CG PHE A 23 5.835 -3.676 4.574 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.175 -3.327 4.525 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.932 -2.776 5.116 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.606 -2.105 5.006 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.357 -1.552 5.598 1.00 0.00 C ATOM 336 CZ PHE A 23 6.696 -1.217 5.544 1.00 0.00 C ATOM 0 H PHE A 23 3.719 -5.094 5.879 1.00 0.00 H new ATOM 0 HA PHE A 23 5.179 -7.068 4.616 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.007 -5.301 3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.360 -4.898 3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.891 -4.018 4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.884 -3.034 5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.653 -1.845 4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.643 -0.858 6.016 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.030 -0.262 5.922 1.00 0.00 H new ATOM 346 N GLN A 24 7.699 -6.819 5.087 1.00 0.00 N ATOM 347 CA GLN A 24 9.051 -6.960 5.613 1.00 0.00 C ATOM 348 C GLN A 24 10.060 -6.238 4.725 1.00 0.00 C ATOM 349 O GLN A 24 9.696 -5.661 3.700 1.00 0.00 O ATOM 350 CB GLN A 24 9.425 -8.439 5.730 1.00 0.00 C ATOM 351 CG GLN A 24 8.300 -9.310 6.265 1.00 0.00 C ATOM 352 CD GLN A 24 7.354 -9.778 5.177 1.00 0.00 C ATOM 353 OE1 GLN A 24 7.785 -10.275 4.136 1.00 0.00 O ATOM 354 NE2 GLN A 24 6.057 -9.620 5.412 1.00 0.00 N ATOM 0 H GLN A 24 7.557 -7.241 4.169 1.00 0.00 H new ATOM 0 HA GLN A 24 9.076 -6.506 6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.724 -8.808 4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.291 -8.536 6.385 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.726 -10.178 6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.738 -8.751 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.745 -9.203 6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.373 -9.915 4.716 1.00 0.00 H new ATOM 363 N ARG A 25 11.326 -6.273 5.126 1.00 0.00 N ATOM 364 CA ARG A 25 12.386 -5.620 4.367 1.00 0.00 C ATOM 365 C ARG A 25 13.508 -6.603 4.043 1.00 0.00 C ATOM 366 O ARG A 25 13.506 -7.739 4.514 1.00 0.00 O ATOM 367 CB ARG A 25 12.946 -4.431 5.151 1.00 0.00 C ATOM 368 CG ARG A 25 11.880 -3.457 5.625 1.00 0.00 C ATOM 369 CD ARG A 25 12.433 -2.048 5.760 1.00 0.00 C ATOM 370 NE ARG A 25 12.367 -1.564 7.137 1.00 0.00 N ATOM 371 CZ ARG A 25 13.139 -0.594 7.613 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.031 -0.006 6.828 1.00 0.00 N ATOM 373 NH2 ARG A 25 13.018 -0.209 8.877 1.00 0.00 N ATOM 0 H ARG A 25 11.643 -6.746 5.972 1.00 0.00 H new ATOM 0 HA ARG A 25 11.959 -5.261 3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.496 -4.803 6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.661 -3.898 4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.048 -3.456 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.485 -3.788 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.468 -2.030 5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.872 -1.375 5.112 1.00 0.00 H new ATOM 0 HE ARG A 25 11.691 -1.995 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.126 -0.298 5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.622 0.739 7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.332 -0.658 9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.611 0.536 9.242 1.00 0.00 H new ATOM 387 N GLY A 26 14.463 -6.156 3.233 1.00 0.00 N ATOM 388 CA GLY A 26 15.577 -7.008 2.860 1.00 0.00 C ATOM 389 C GLY A 26 16.245 -6.559 1.576 1.00 0.00 C ATOM 390 O GLY A 26 17.083 -5.657 1.585 1.00 0.00 O ATOM 0 H GLY A 26 14.485 -5.220 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.312 -7.014 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.224 -8.033 2.743 1.00 0.00 H new ATOM 394 N LYS A 27 15.876 -7.190 0.466 1.00 0.00 N ATOM 395 CA LYS A 27 16.446 -6.852 -0.833 1.00 0.00 C ATOM 396 C LYS A 27 15.348 -6.538 -1.844 1.00 0.00 C ATOM 397 O LYS A 27 14.362 -7.268 -1.950 1.00 0.00 O ATOM 398 CB LYS A 27 17.314 -8.002 -1.348 1.00 0.00 C ATOM 399 CG LYS A 27 17.780 -7.818 -2.781 1.00 0.00 C ATOM 400 CD LYS A 27 18.866 -8.816 -3.147 1.00 0.00 C ATOM 401 CE LYS A 27 20.124 -8.116 -3.637 1.00 0.00 C ATOM 402 NZ LYS A 27 20.710 -8.796 -4.825 1.00 0.00 N ATOM 0 H LYS A 27 15.184 -7.939 0.440 1.00 0.00 H new ATOM 0 HA LYS A 27 17.066 -5.964 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.186 -8.106 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.751 -8.932 -1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.934 -7.936 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.157 -6.804 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.105 -9.430 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.497 -9.489 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.889 -7.082 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.861 -8.089 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 21.566 -8.289 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.958 -9.775 -4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.017 -8.800 -5.600 1.00 0.00 H new ATOM 416 N ASN A 28 15.525 -5.449 -2.585 1.00 0.00 N ATOM 417 CA ASN A 28 14.548 -5.040 -3.587 1.00 0.00 C ATOM 418 C ASN A 28 13.178 -4.820 -2.955 1.00 0.00 C ATOM 419 O ASN A 28 12.152 -4.873 -3.634 1.00 0.00 O ATOM 420 CB ASN A 28 14.448 -6.095 -4.692 1.00 0.00 C ATOM 421 CG ASN A 28 15.770 -6.314 -5.403 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.688 -5.501 -5.293 1.00 0.00 O ATOM 423 ND2 ASN A 28 15.872 -7.417 -6.137 1.00 0.00 N ATOM 0 H ASN A 28 16.336 -4.834 -2.510 1.00 0.00 H new ATOM 0 HA ASN A 28 14.883 -4.098 -4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.110 -7.037 -4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.695 -5.787 -5.417 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.737 -7.618 -6.638 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.085 -8.063 -6.199 1.00 0.00 H new ATOM 430 N LEU A 29 13.168 -4.571 -1.649 1.00 0.00 N ATOM 431 CA LEU A 29 11.924 -4.343 -0.924 1.00 0.00 C ATOM 432 C LEU A 29 11.111 -3.227 -1.575 1.00 0.00 C ATOM 433 O LEU A 29 9.981 -3.445 -2.014 1.00 0.00 O ATOM 434 CB LEU A 29 12.219 -3.988 0.535 1.00 0.00 C ATOM 435 CG LEU A 29 11.020 -3.542 1.374 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.754 -2.059 1.177 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.787 -4.360 1.018 1.00 0.00 C ATOM 0 H LEU A 29 14.008 -4.522 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 29 11.339 -5.262 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.670 -4.856 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.964 -3.192 0.551 1.00 0.00 H new ATOM 0 HG LEU A 29 11.252 -3.711 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.898 -1.759 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.631 -1.488 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.542 -1.864 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.944 -4.029 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.551 -4.222 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.982 -5.415 1.212 1.00 0.00 H new ATOM 449 N ARG A 30 11.693 -2.035 -1.634 1.00 0.00 N ATOM 450 CA ARG A 30 11.024 -0.887 -2.233 1.00 0.00 C ATOM 451 C ARG A 30 10.248 -1.299 -3.482 1.00 0.00 C ATOM 452 O ARG A 30 9.202 -0.729 -3.792 1.00 0.00 O ATOM 453 CB ARG A 30 12.043 0.198 -2.588 1.00 0.00 C ATOM 454 CG ARG A 30 11.421 1.564 -2.825 1.00 0.00 C ATOM 455 CD ARG A 30 12.480 2.653 -2.902 1.00 0.00 C ATOM 456 NE ARG A 30 13.462 2.537 -1.828 1.00 0.00 N ATOM 457 CZ ARG A 30 14.695 3.026 -1.904 1.00 0.00 C ATOM 458 NH1 ARG A 30 15.093 3.662 -2.998 1.00 0.00 N ATOM 459 NH2 ARG A 30 15.532 2.882 -0.884 1.00 0.00 N ATOM 0 H ARG A 30 12.627 -1.838 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 30 10.319 -0.489 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.774 0.276 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.586 -0.105 -3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.847 1.548 -3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.722 1.791 -2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.988 2.598 -3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.000 3.630 -2.850 1.00 0.00 H new ATOM 0 HE ARG A 30 13.187 2.054 -0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.452 3.776 -3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.040 4.037 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.229 2.395 -0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.478 3.258 -0.944 1.00 0.00 H new ATOM 473 N TYR A 31 10.769 -2.293 -4.192 1.00 0.00 N ATOM 474 CA TYR A 31 10.128 -2.780 -5.408 1.00 0.00 C ATOM 475 C TYR A 31 8.986 -3.735 -5.077 1.00 0.00 C ATOM 476 O TYR A 31 7.948 -3.730 -5.737 1.00 0.00 O ATOM 477 CB TYR A 31 11.152 -3.481 -6.304 1.00 0.00 C ATOM 478 CG TYR A 31 10.534 -4.461 -7.276 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.250 -5.766 -6.893 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.234 -4.082 -8.579 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.687 -6.663 -7.778 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.669 -4.972 -9.471 1.00 0.00 C ATOM 483 CZ TYR A 31 9.398 -6.263 -9.065 1.00 0.00 C ATOM 484 OH TYR A 31 8.836 -7.155 -9.951 1.00 0.00 O ATOM 0 H TYR A 31 11.633 -2.777 -3.947 1.00 0.00 H new ATOM 0 HA TYR A 31 9.717 -1.922 -5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.708 -2.729 -6.863 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.871 -4.008 -5.677 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.474 -6.084 -5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.447 -3.073 -8.900 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.474 -7.674 -7.463 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.441 -4.660 -10.479 1.00 0.00 H new ATOM 0 HH TYR A 31 8.695 -6.713 -10.814 1.00 0.00 H new ATOM 494 N GLN A 32 9.187 -4.553 -4.050 1.00 0.00 N ATOM 495 CA GLN A 32 8.175 -5.515 -3.629 1.00 0.00 C ATOM 496 C GLN A 32 6.863 -4.812 -3.295 1.00 0.00 C ATOM 497 O GLN A 32 5.780 -5.343 -3.550 1.00 0.00 O ATOM 498 CB GLN A 32 8.666 -6.308 -2.417 1.00 0.00 C ATOM 499 CG GLN A 32 9.947 -7.083 -2.677 1.00 0.00 C ATOM 500 CD GLN A 32 9.718 -8.579 -2.761 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.799 -9.114 -2.141 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.554 -9.265 -3.533 1.00 0.00 N ATOM 0 H GLN A 32 10.042 -4.569 -3.493 1.00 0.00 H new ATOM 0 HA GLN A 32 7.998 -6.203 -4.455 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.828 -5.622 -1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.886 -7.004 -2.108 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.395 -6.735 -3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.662 -6.873 -1.881 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.303 -8.782 -4.030 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.447 -10.275 -3.629 1.00 0.00 H new ATOM 511 N LEU A 33 6.967 -3.619 -2.723 1.00 0.00 N ATOM 512 CA LEU A 33 5.787 -2.843 -2.353 1.00 0.00 C ATOM 513 C LEU A 33 5.248 -2.066 -3.550 1.00 0.00 C ATOM 514 O LEU A 33 4.037 -1.988 -3.759 1.00 0.00 O ATOM 515 CB LEU A 33 6.124 -1.879 -1.215 1.00 0.00 C ATOM 516 CG LEU A 33 6.662 -2.516 0.068 1.00 0.00 C ATOM 517 CD1 LEU A 33 7.367 -1.475 0.925 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.537 -3.178 0.847 1.00 0.00 C ATOM 0 H LEU A 33 7.855 -3.167 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 33 5.016 -3.537 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.861 -1.163 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.226 -1.313 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 33 7.387 -3.283 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.743 -1.946 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.200 -1.047 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.664 -0.685 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.938 -3.626 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.788 -2.431 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.077 -3.953 0.234 1.00 0.00 H new ATOM 530 N LEU A 34 6.155 -1.494 -4.334 1.00 0.00 N ATOM 531 CA LEU A 34 5.772 -0.726 -5.513 1.00 0.00 C ATOM 532 C LEU A 34 5.205 -1.636 -6.597 1.00 0.00 C ATOM 533 O LEU A 34 4.471 -1.187 -7.476 1.00 0.00 O ATOM 534 CB LEU A 34 6.976 0.046 -6.057 1.00 0.00 C ATOM 535 CG LEU A 34 7.509 1.171 -5.170 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.865 1.646 -5.668 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.521 2.327 -5.123 1.00 0.00 C ATOM 0 H LEU A 34 7.161 -1.548 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 34 4.997 -0.018 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.785 -0.662 -6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.703 0.471 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 34 7.632 0.783 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.229 2.447 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.571 0.816 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.768 2.016 -6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.917 3.119 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.366 2.714 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.571 1.978 -4.718 1.00 0.00 H new ATOM 549 N GLN A 35 5.549 -2.918 -6.526 1.00 0.00 N ATOM 550 CA GLN A 35 5.072 -3.892 -7.500 1.00 0.00 C ATOM 551 C GLN A 35 3.602 -4.224 -7.264 1.00 0.00 C ATOM 552 O GLN A 35 2.955 -4.851 -8.103 1.00 0.00 O ATOM 553 CB GLN A 35 5.913 -5.168 -7.430 1.00 0.00 C ATOM 554 CG GLN A 35 5.557 -6.067 -6.258 1.00 0.00 C ATOM 555 CD GLN A 35 4.899 -7.361 -6.692 1.00 0.00 C ATOM 556 OE1 GLN A 35 3.833 -7.727 -6.196 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.532 -8.063 -7.625 1.00 0.00 N ATOM 0 H GLN A 35 6.156 -3.306 -5.804 1.00 0.00 H new ATOM 0 HA GLN A 35 5.171 -3.454 -8.493 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.788 -5.727 -8.357 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.966 -4.896 -7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.461 -6.295 -5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.887 -5.532 -5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.414 -7.723 -8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.137 -8.942 -7.958 1.00 0.00 H new ATOM 566 N LEU A 36 3.081 -3.799 -6.118 1.00 0.00 N ATOM 567 CA LEU A 36 1.687 -4.051 -5.772 1.00 0.00 C ATOM 568 C LEU A 36 0.773 -3.001 -6.394 1.00 0.00 C ATOM 569 O LEU A 36 -0.442 -3.182 -6.461 1.00 0.00 O ATOM 570 CB LEU A 36 1.513 -4.059 -4.252 1.00 0.00 C ATOM 571 CG LEU A 36 2.466 -4.965 -3.472 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.357 -4.696 -1.979 1.00 0.00 C ATOM 573 CD2 LEU A 36 2.179 -6.428 -3.774 1.00 0.00 C ATOM 0 H LEU A 36 3.603 -3.278 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 36 1.410 -5.028 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.633 -3.039 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.490 -4.360 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 36 3.486 -4.743 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.043 -5.350 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.614 -3.656 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.336 -4.889 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.867 -7.058 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.154 -6.664 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.310 -6.612 -4.840 1.00 0.00 H new ATOM 585 N VAL A 37 1.366 -1.902 -6.850 1.00 0.00 N ATOM 586 CA VAL A 37 0.606 -0.824 -7.471 1.00 0.00 C ATOM 587 C VAL A 37 1.148 -0.497 -8.858 1.00 0.00 C ATOM 588 O VAL A 37 0.438 0.055 -9.697 1.00 0.00 O ATOM 589 CB VAL A 37 0.634 0.452 -6.607 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.197 0.142 -5.184 1.00 0.00 C ATOM 591 CG2 VAL A 37 2.021 1.076 -6.624 1.00 0.00 C ATOM 0 H VAL A 37 2.371 -1.735 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.423 -1.172 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.068 1.172 -7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.223 1.055 -4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.818 -0.256 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.872 -0.595 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.023 1.976 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.745 0.364 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.291 1.336 -7.648 1.00 0.00 H new ATOM 601 N GLU A 38 2.410 -0.844 -9.091 1.00 0.00 N ATOM 602 CA GLU A 38 3.047 -0.587 -10.377 1.00 0.00 C ATOM 603 C GLU A 38 2.139 -1.011 -11.528 1.00 0.00 C ATOM 604 O GLU A 38 1.740 -0.204 -12.368 1.00 0.00 O ATOM 605 CB GLU A 38 4.382 -1.328 -10.467 1.00 0.00 C ATOM 606 CG GLU A 38 5.581 -0.407 -10.609 1.00 0.00 C ATOM 607 CD GLU A 38 6.277 -0.556 -11.948 1.00 0.00 C ATOM 608 OE1 GLU A 38 6.927 -1.600 -12.165 1.00 0.00 O ATOM 609 OE2 GLU A 38 6.173 0.371 -12.779 1.00 0.00 O ATOM 0 H GLU A 38 3.011 -1.303 -8.407 1.00 0.00 H new ATOM 0 HA GLU A 38 3.229 0.485 -10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.509 -1.940 -9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.354 -2.008 -11.319 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.257 0.626 -10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.292 -0.616 -9.809 1.00 0.00 H new ATOM 616 N PRO A 39 1.803 -2.309 -11.570 1.00 0.00 N ATOM 617 CA PRO A 39 0.939 -2.871 -12.612 1.00 0.00 C ATOM 618 C PRO A 39 -0.506 -2.401 -12.482 1.00 0.00 C ATOM 619 O PRO A 39 -1.373 -2.806 -13.256 1.00 0.00 O ATOM 620 CB PRO A 39 1.033 -4.381 -12.376 1.00 0.00 C ATOM 621 CG PRO A 39 1.382 -4.516 -10.934 1.00 0.00 C ATOM 622 CD PRO A 39 2.241 -3.329 -10.601 1.00 0.00 C ATOM 0 HA PRO A 39 1.250 -2.562 -13.610 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.089 -4.877 -12.603 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.793 -4.835 -13.012 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.485 -4.533 -10.316 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.916 -5.448 -10.748 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.089 -2.999 -9.573 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.301 -3.557 -10.709 1.00 0.00 H new ATOM 630 N PHE A 40 -0.759 -1.542 -11.499 1.00 0.00 N ATOM 631 CA PHE A 40 -2.100 -1.018 -11.268 1.00 0.00 C ATOM 632 C PHE A 40 -2.197 0.439 -11.712 1.00 0.00 C ATOM 633 O PHE A 40 -3.290 0.963 -11.924 1.00 0.00 O ATOM 634 CB PHE A 40 -2.469 -1.137 -9.789 1.00 0.00 C ATOM 635 CG PHE A 40 -2.599 -2.557 -9.317 1.00 0.00 C ATOM 636 CD1 PHE A 40 -1.481 -3.278 -8.928 1.00 0.00 C ATOM 637 CD2 PHE A 40 -3.840 -3.173 -9.262 1.00 0.00 C ATOM 638 CE1 PHE A 40 -1.598 -4.585 -8.494 1.00 0.00 C ATOM 639 CE2 PHE A 40 -3.963 -4.480 -8.829 1.00 0.00 C ATOM 640 CZ PHE A 40 -2.840 -5.186 -8.443 1.00 0.00 C ATOM 0 H PHE A 40 -0.053 -1.194 -10.850 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.801 -1.608 -11.859 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.710 -0.632 -9.191 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.411 -0.617 -9.615 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.507 -2.813 -8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.721 -2.625 -9.561 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.718 -5.136 -8.195 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.935 -4.948 -8.793 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.933 -6.206 -8.102 1.00 0.00 H new ATOM 650 N GLY A 41 -1.044 1.089 -11.849 1.00 0.00 N ATOM 651 CA GLY A 41 -1.020 2.479 -12.265 1.00 0.00 C ATOM 652 C GLY A 41 0.378 3.063 -12.255 1.00 0.00 C ATOM 653 O GLY A 41 1.362 2.341 -12.412 1.00 0.00 O ATOM 0 H GLY A 41 -0.127 0.677 -11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.438 2.562 -13.268 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.659 3.064 -11.604 1.00 0.00 H new ATOM 657 N VAL A 42 0.467 4.377 -12.072 1.00 0.00 N ATOM 658 CA VAL A 42 1.756 5.059 -12.043 1.00 0.00 C ATOM 659 C VAL A 42 2.145 5.439 -10.619 1.00 0.00 C ATOM 660 O VAL A 42 1.283 5.657 -9.766 1.00 0.00 O ATOM 661 CB VAL A 42 1.738 6.329 -12.914 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.391 7.028 -12.813 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.866 7.267 -12.511 1.00 0.00 C ATOM 0 H VAL A 42 -0.338 4.990 -11.942 1.00 0.00 H new ATOM 0 HA VAL A 42 2.492 4.362 -12.444 1.00 0.00 H new ATOM 0 HB VAL A 42 1.892 6.038 -13.953 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.398 7.923 -13.435 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.395 6.354 -13.155 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.203 7.308 -11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.838 8.159 -13.137 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.746 7.553 -11.466 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.823 6.762 -12.641 1.00 0.00 H new ATOM 673 N ILE A 43 3.448 5.516 -10.368 1.00 0.00 N ATOM 674 CA ILE A 43 3.951 5.870 -9.047 1.00 0.00 C ATOM 675 C ILE A 43 4.270 7.359 -8.962 1.00 0.00 C ATOM 676 O ILE A 43 5.138 7.860 -9.677 1.00 0.00 O ATOM 677 CB ILE A 43 5.215 5.065 -8.691 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.054 3.606 -9.123 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.495 5.153 -7.198 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.095 2.820 -8.257 1.00 0.00 C ATOM 0 H ILE A 43 4.174 5.338 -11.062 1.00 0.00 H new ATOM 0 HA ILE A 43 3.163 5.627 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 43 6.063 5.492 -9.226 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.705 3.578 -10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.030 3.120 -9.103 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.391 4.579 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.647 6.195 -6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.648 4.748 -6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.031 1.795 -8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.454 2.816 -7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.108 3.281 -8.296 1.00 0.00 H new ATOM 692 N SER A 44 3.564 8.061 -8.080 1.00 0.00 N ATOM 693 CA SER A 44 3.770 9.493 -7.902 1.00 0.00 C ATOM 694 C SER A 44 4.773 9.762 -6.784 1.00 0.00 C ATOM 695 O SER A 44 5.728 10.518 -6.961 1.00 0.00 O ATOM 696 CB SER A 44 2.442 10.186 -7.591 1.00 0.00 C ATOM 697 OG SER A 44 2.032 11.009 -8.669 1.00 0.00 O ATOM 0 H SER A 44 2.845 7.661 -7.478 1.00 0.00 H new ATOM 0 HA SER A 44 4.172 9.896 -8.831 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.676 9.437 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.545 10.788 -6.688 1.00 0.00 H new ATOM 0 HG SER A 44 1.180 11.439 -8.446 1.00 0.00 H new ATOM 703 N ASN A 45 4.546 9.138 -5.632 1.00 0.00 N ATOM 704 CA ASN A 45 5.428 9.311 -4.483 1.00 0.00 C ATOM 705 C ASN A 45 5.112 8.287 -3.397 1.00 0.00 C ATOM 706 O ASN A 45 3.963 8.144 -2.979 1.00 0.00 O ATOM 707 CB ASN A 45 5.296 10.727 -3.920 1.00 0.00 C ATOM 708 CG ASN A 45 6.061 11.750 -4.738 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.183 11.496 -5.176 1.00 0.00 O ATOM 710 ND2 ASN A 45 5.456 12.913 -4.947 1.00 0.00 N ATOM 0 H ASN A 45 3.760 8.509 -5.470 1.00 0.00 H new ATOM 0 HA ASN A 45 6.454 9.156 -4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.243 11.006 -3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.660 10.742 -2.893 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.922 13.640 -5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.525 13.080 -4.565 1.00 0.00 H new ATOM 717 N HIS A 46 6.141 7.579 -2.943 1.00 0.00 N ATOM 718 CA HIS A 46 5.974 6.568 -1.903 1.00 0.00 C ATOM 719 C HIS A 46 6.743 6.953 -0.643 1.00 0.00 C ATOM 720 O HIS A 46 7.618 7.820 -0.679 1.00 0.00 O ATOM 721 CB HIS A 46 6.447 5.205 -2.408 1.00 0.00 C ATOM 722 CG HIS A 46 7.895 5.175 -2.787 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.400 5.839 -3.884 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.949 4.557 -2.205 1.00 0.00 C ATOM 725 CE1 HIS A 46 9.701 5.630 -3.963 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.061 4.856 -2.955 1.00 0.00 N ATOM 0 H HIS A 46 7.099 7.686 -3.278 1.00 0.00 H new ATOM 0 HA HIS A 46 4.914 6.507 -1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.267 4.458 -1.635 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.848 4.919 -3.273 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.853 6.404 -4.534 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.921 3.943 -1.317 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.359 6.025 -4.723 1.00 0.00 H new ATOM 734 N LEU A 47 6.412 6.305 0.467 1.00 0.00 N ATOM 735 CA LEU A 47 7.071 6.579 1.739 1.00 0.00 C ATOM 736 C LEU A 47 7.255 5.298 2.545 1.00 0.00 C ATOM 737 O LEU A 47 6.305 4.542 2.754 1.00 0.00 O ATOM 738 CB LEU A 47 6.260 7.592 2.549 1.00 0.00 C ATOM 739 CG LEU A 47 6.807 7.935 3.934 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.075 9.135 4.515 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.692 6.738 4.866 1.00 0.00 C ATOM 0 H LEU A 47 5.691 5.585 0.513 1.00 0.00 H new ATOM 0 HA LEU A 47 8.055 6.997 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.186 8.513 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.247 7.207 2.666 1.00 0.00 H new ATOM 0 HG LEU A 47 7.862 8.191 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.478 9.364 5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.209 9.995 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.013 8.906 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.087 7.002 5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.645 6.450 4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.262 5.903 4.458 1.00 0.00 H new ATOM 753 N ILE A 48 8.483 5.060 2.996 1.00 0.00 N ATOM 754 CA ILE A 48 8.789 3.871 3.782 1.00 0.00 C ATOM 755 C ILE A 48 9.485 4.240 5.089 1.00 0.00 C ATOM 756 O ILE A 48 10.641 4.665 5.090 1.00 0.00 O ATOM 757 CB ILE A 48 9.682 2.891 2.997 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.341 2.941 1.506 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.520 1.478 3.536 1.00 0.00 C ATOM 760 CD1 ILE A 48 10.070 1.901 0.685 1.00 0.00 C ATOM 0 H ILE A 48 9.281 5.674 2.831 1.00 0.00 H new ATOM 0 HA ILE A 48 7.838 3.386 4.003 1.00 0.00 H new ATOM 0 HB ILE A 48 10.723 3.189 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.267 2.803 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.581 3.931 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.157 0.798 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.807 1.455 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.480 1.168 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.780 1.995 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.145 2.052 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.811 0.906 1.045 1.00 0.00 H new ATOM 772 N LEU A 49 8.775 4.072 6.199 1.00 0.00 N ATOM 773 CA LEU A 49 9.325 4.385 7.513 1.00 0.00 C ATOM 774 C LEU A 49 10.338 3.330 7.945 1.00 0.00 C ATOM 775 O LEU A 49 10.174 2.144 7.663 1.00 0.00 O ATOM 776 CB LEU A 49 8.202 4.483 8.547 1.00 0.00 C ATOM 777 CG LEU A 49 7.072 5.461 8.221 1.00 0.00 C ATOM 778 CD1 LEU A 49 5.983 5.390 9.279 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.612 6.879 8.102 1.00 0.00 C ATOM 0 H LEU A 49 7.817 3.721 6.215 1.00 0.00 H new ATOM 0 HA LEU A 49 9.835 5.346 7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.770 3.491 8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.640 4.770 9.503 1.00 0.00 H new ATOM 0 HG LEU A 49 6.637 5.178 7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.188 6.093 9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.576 4.379 9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.403 5.647 10.251 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.794 7.561 7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.073 7.173 9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.356 6.920 7.306 1.00 0.00 H new ATOM 791 N ASN A 50 11.387 3.771 8.632 1.00 0.00 N ATOM 792 CA ASN A 50 12.427 2.865 9.105 1.00 0.00 C ATOM 793 C ASN A 50 12.201 2.493 10.568 1.00 0.00 C ATOM 794 O ASN A 50 12.901 1.644 11.120 1.00 0.00 O ATOM 795 CB ASN A 50 13.807 3.505 8.938 1.00 0.00 C ATOM 796 CG ASN A 50 14.253 3.545 7.489 1.00 0.00 C ATOM 797 OD1 ASN A 50 14.247 2.526 6.798 1.00 0.00 O ATOM 798 ND2 ASN A 50 14.645 4.725 7.023 1.00 0.00 N ATOM 0 H ASN A 50 11.539 4.750 8.873 1.00 0.00 H new ATOM 0 HA ASN A 50 12.381 1.956 8.505 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.785 4.519 9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.537 2.947 9.525 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.958 4.813 6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.633 5.543 7.632 1.00 0.00 H new ATOM 805 N LYS A 51 11.218 3.134 11.191 1.00 0.00 N ATOM 806 CA LYS A 51 10.896 2.870 12.588 1.00 0.00 C ATOM 807 C LYS A 51 10.076 1.592 12.725 1.00 0.00 C ATOM 808 O LYS A 51 10.311 0.788 13.629 1.00 0.00 O ATOM 809 CB LYS A 51 10.127 4.050 13.186 1.00 0.00 C ATOM 810 CG LYS A 51 11.015 5.060 13.892 1.00 0.00 C ATOM 811 CD LYS A 51 11.328 4.631 15.315 1.00 0.00 C ATOM 812 CE LYS A 51 12.015 5.742 16.094 1.00 0.00 C ATOM 813 NZ LYS A 51 11.613 5.743 17.528 1.00 0.00 N ATOM 0 H LYS A 51 10.630 3.841 10.750 1.00 0.00 H new ATOM 0 HA LYS A 51 11.831 2.740 13.133 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.578 4.555 12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.389 3.671 13.893 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.944 5.180 13.335 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.523 6.032 13.904 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.406 4.347 15.822 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.967 3.748 15.298 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.096 5.623 16.020 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.769 6.705 15.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.102 6.514 18.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.585 5.882 17.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.871 4.833 17.961 1.00 0.00 H new ATOM 827 N ILE A 52 9.116 1.409 11.826 1.00 0.00 N ATOM 828 CA ILE A 52 8.264 0.227 11.846 1.00 0.00 C ATOM 829 C ILE A 52 7.963 -0.258 10.433 1.00 0.00 C ATOM 830 O ILE A 52 8.568 0.201 9.465 1.00 0.00 O ATOM 831 CB ILE A 52 6.937 0.503 12.576 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.004 1.329 11.689 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.196 1.219 13.894 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.603 2.645 11.243 1.00 0.00 C ATOM 0 H ILE A 52 8.908 2.065 11.073 1.00 0.00 H new ATOM 0 HA ILE A 52 8.811 -0.547 12.384 1.00 0.00 H new ATOM 0 HB ILE A 52 6.453 -0.450 12.792 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.739 0.743 10.809 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.079 1.525 12.232 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.248 1.407 14.398 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.827 0.597 14.528 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.698 2.167 13.701 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.886 3.178 10.618 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.842 3.251 12.117 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.512 2.456 10.672 1.00 0.00 H new ATOM 846 N ASN A 53 7.021 -1.190 10.320 1.00 0.00 N ATOM 847 CA ASN A 53 6.638 -1.737 9.024 1.00 0.00 C ATOM 848 C ASN A 53 5.420 -1.009 8.466 1.00 0.00 C ATOM 849 O ASN A 53 4.437 -1.637 8.073 1.00 0.00 O ATOM 850 CB ASN A 53 6.341 -3.233 9.147 1.00 0.00 C ATOM 851 CG ASN A 53 7.471 -3.995 9.813 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.528 -3.433 10.099 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.251 -5.280 10.062 1.00 0.00 N ATOM 0 H ASN A 53 6.509 -1.582 11.111 1.00 0.00 H new ATOM 0 HA ASN A 53 7.471 -1.594 8.336 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.425 -3.373 9.721 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.162 -3.648 8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.974 -5.844 10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.359 -5.703 9.807 1.00 0.00 H new ATOM 860 N GLU A 54 5.494 0.318 8.432 1.00 0.00 N ATOM 861 CA GLU A 54 4.396 1.130 7.922 1.00 0.00 C ATOM 862 C GLU A 54 4.821 1.894 6.671 1.00 0.00 C ATOM 863 O GLU A 54 5.596 2.849 6.747 1.00 0.00 O ATOM 864 CB GLU A 54 3.916 2.112 8.993 1.00 0.00 C ATOM 865 CG GLU A 54 3.012 1.478 10.037 1.00 0.00 C ATOM 866 CD GLU A 54 2.070 2.478 10.678 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.238 3.692 10.433 1.00 0.00 O ATOM 868 OE2 GLU A 54 1.166 2.048 11.425 1.00 0.00 O ATOM 0 H GLU A 54 6.302 0.853 8.751 1.00 0.00 H new ATOM 0 HA GLU A 54 3.576 0.462 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.783 2.547 9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.382 2.931 8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.430 0.682 9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.625 1.015 10.810 1.00 0.00 H new ATOM 875 N ALA A 55 4.309 1.469 5.521 1.00 0.00 N ATOM 876 CA ALA A 55 4.635 2.113 4.255 1.00 0.00 C ATOM 877 C ALA A 55 3.374 2.607 3.551 1.00 0.00 C ATOM 878 O ALA A 55 2.281 2.088 3.777 1.00 0.00 O ATOM 879 CB ALA A 55 5.401 1.154 3.356 1.00 0.00 C ATOM 0 H ALA A 55 3.666 0.681 5.440 1.00 0.00 H new ATOM 0 HA ALA A 55 5.265 2.977 4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.638 1.649 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.325 0.852 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.790 0.273 3.160 1.00 0.00 H new ATOM 885 N PHE A 56 3.535 3.613 2.699 1.00 0.00 N ATOM 886 CA PHE A 56 2.411 4.179 1.963 1.00 0.00 C ATOM 887 C PHE A 56 2.851 4.664 0.584 1.00 0.00 C ATOM 888 O PHE A 56 3.842 5.382 0.455 1.00 0.00 O ATOM 889 CB PHE A 56 1.790 5.336 2.748 1.00 0.00 C ATOM 890 CG PHE A 56 1.803 5.125 4.236 1.00 0.00 C ATOM 891 CD1 PHE A 56 2.956 5.346 4.970 1.00 0.00 C ATOM 892 CD2 PHE A 56 0.661 4.707 4.899 1.00 0.00 C ATOM 893 CE1 PHE A 56 2.971 5.153 6.338 1.00 0.00 C ATOM 894 CE2 PHE A 56 0.669 4.512 6.268 1.00 0.00 C ATOM 895 CZ PHE A 56 1.826 4.736 6.988 1.00 0.00 C ATOM 0 H PHE A 56 4.433 4.054 2.501 1.00 0.00 H new ATOM 0 HA PHE A 56 1.665 3.396 1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.329 6.254 2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.761 5.478 2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.854 5.673 4.467 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.246 4.531 4.340 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.877 5.328 6.899 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.228 4.185 6.773 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.835 4.585 8.057 1.00 0.00 H new ATOM 905 N ILE A 57 2.106 4.266 -0.442 1.00 0.00 N ATOM 906 CA ILE A 57 2.418 4.659 -1.810 1.00 0.00 C ATOM 907 C ILE A 57 1.360 5.608 -2.364 1.00 0.00 C ATOM 908 O ILE A 57 0.163 5.381 -2.200 1.00 0.00 O ATOM 909 CB ILE A 57 2.529 3.434 -2.736 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.717 2.563 -2.326 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.667 3.877 -4.186 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.608 1.130 -2.800 1.00 0.00 C ATOM 0 H ILE A 57 1.282 3.672 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 57 3.381 5.170 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 57 1.619 2.842 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.632 3.000 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.806 2.572 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.744 3.000 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.792 4.461 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.563 4.488 -4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.485 0.571 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.711 0.675 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.550 1.110 -3.888 1.00 0.00 H new ATOM 924 N GLU A 58 1.814 6.670 -3.022 1.00 0.00 N ATOM 925 CA GLU A 58 0.905 7.653 -3.602 1.00 0.00 C ATOM 926 C GLU A 58 0.811 7.481 -5.115 1.00 0.00 C ATOM 927 O GLU A 58 1.808 7.598 -5.827 1.00 0.00 O ATOM 928 CB GLU A 58 1.372 9.072 -3.266 1.00 0.00 C ATOM 929 CG GLU A 58 0.328 10.139 -3.553 1.00 0.00 C ATOM 930 CD GLU A 58 0.182 11.132 -2.415 1.00 0.00 C ATOM 931 OE1 GLU A 58 -0.486 10.792 -1.415 1.00 0.00 O ATOM 932 OE2 GLU A 58 0.734 12.245 -2.526 1.00 0.00 O ATOM 0 H GLU A 58 2.803 6.872 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.085 7.493 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.644 9.116 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.273 9.294 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.600 10.673 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.634 9.661 -3.739 1.00 0.00 H new ATOM 939 N MET A 59 -0.395 7.203 -5.599 1.00 0.00 N ATOM 940 CA MET A 59 -0.620 7.015 -7.028 1.00 0.00 C ATOM 941 C MET A 59 -1.015 8.330 -7.693 1.00 0.00 C ATOM 942 O MET A 59 -1.423 9.277 -7.023 1.00 0.00 O ATOM 943 CB MET A 59 -1.708 5.965 -7.261 1.00 0.00 C ATOM 944 CG MET A 59 -1.372 4.602 -6.679 1.00 0.00 C ATOM 945 SD MET A 59 0.132 3.898 -7.383 1.00 0.00 S ATOM 946 CE MET A 59 -0.515 3.130 -8.866 1.00 0.00 C ATOM 0 H MET A 59 -1.231 7.103 -5.023 1.00 0.00 H new ATOM 0 HA MET A 59 0.311 6.667 -7.475 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.642 6.318 -6.823 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.878 5.861 -8.333 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.256 4.691 -5.599 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.204 3.921 -6.855 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.284 2.591 -9.375 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.310 2.434 -8.598 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.914 3.898 -9.529 1.00 0.00 H new ATOM 956 N ALA A 60 -0.889 8.379 -9.015 1.00 0.00 N ATOM 957 CA ALA A 60 -1.233 9.578 -9.770 1.00 0.00 C ATOM 958 C ALA A 60 -2.744 9.778 -9.822 1.00 0.00 C ATOM 959 O ALA A 60 -3.229 10.905 -9.926 1.00 0.00 O ATOM 960 CB ALA A 60 -0.662 9.498 -11.178 1.00 0.00 C ATOM 0 H ALA A 60 -0.552 7.603 -9.585 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.795 10.436 -9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.927 10.400 -11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.423 9.410 -11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.073 8.627 -11.688 1.00 0.00 H new ATOM 966 N THR A 61 -3.486 8.676 -9.750 1.00 0.00 N ATOM 967 CA THR A 61 -4.942 8.731 -9.789 1.00 0.00 C ATOM 968 C THR A 61 -5.556 7.714 -8.836 1.00 0.00 C ATOM 969 O THR A 61 -5.182 6.541 -8.835 1.00 0.00 O ATOM 970 CB THR A 61 -5.474 8.472 -11.212 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.987 7.216 -11.696 1.00 0.00 O ATOM 972 CG2 THR A 61 -5.053 9.585 -12.158 1.00 0.00 C ATOM 0 H THR A 61 -3.102 7.735 -9.664 1.00 0.00 H new ATOM 0 HA THR A 61 -5.230 9.735 -9.478 1.00 0.00 H new ATOM 0 HB THR A 61 -6.563 8.446 -11.170 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.242 6.916 -11.135 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.440 9.380 -13.156 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.452 10.535 -11.802 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.965 9.639 -12.195 1.00 0.00 H new ATOM 980 N THR A 62 -6.504 8.169 -8.023 1.00 0.00 N ATOM 981 CA THR A 62 -7.171 7.298 -7.062 1.00 0.00 C ATOM 982 C THR A 62 -7.654 6.015 -7.728 1.00 0.00 C ATOM 983 O THR A 62 -7.802 4.984 -7.073 1.00 0.00 O ATOM 984 CB THR A 62 -8.371 8.004 -6.402 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.050 7.099 -5.525 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.340 8.522 -7.454 1.00 0.00 C ATOM 0 H THR A 62 -6.828 9.136 -8.011 1.00 0.00 H new ATOM 0 HA THR A 62 -6.437 7.052 -6.295 1.00 0.00 H new ATOM 0 HB THR A 62 -7.995 8.851 -5.829 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.178 7.524 -4.652 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.179 9.016 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.828 9.233 -8.102 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.709 7.688 -8.051 1.00 0.00 H new ATOM 994 N GLU A 63 -7.899 6.086 -9.033 1.00 0.00 N ATOM 995 CA GLU A 63 -8.366 4.927 -9.786 1.00 0.00 C ATOM 996 C GLU A 63 -7.380 3.770 -9.671 1.00 0.00 C ATOM 997 O GLU A 63 -7.773 2.603 -9.667 1.00 0.00 O ATOM 998 CB GLU A 63 -8.567 5.296 -11.257 1.00 0.00 C ATOM 999 CG GLU A 63 -9.725 6.253 -11.492 1.00 0.00 C ATOM 1000 CD GLU A 63 -9.859 6.659 -12.947 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -8.901 7.249 -13.489 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -10.923 6.388 -13.543 1.00 0.00 O ATOM 0 H GLU A 63 -7.782 6.932 -9.590 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.320 4.611 -9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.651 5.747 -11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.737 4.385 -11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.652 5.784 -11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.584 7.145 -10.881 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.096 4.101 -9.576 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.053 3.089 -9.461 1.00 0.00 C ATOM 1011 C ASP A 64 -5.017 2.502 -8.053 1.00 0.00 C ATOM 1012 O ASP A 64 -5.350 1.336 -7.847 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.690 3.690 -9.810 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.693 4.387 -11.156 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.525 4.022 -12.012 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.864 5.300 -11.352 1.00 0.00 O ATOM 0 H ASP A 64 -5.753 5.062 -9.576 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.280 2.287 -10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.401 4.401 -9.036 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.938 2.901 -9.814 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.612 3.321 -7.086 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.534 2.883 -5.698 1.00 0.00 C ATOM 1023 C ALA A 65 -5.754 2.052 -5.315 1.00 0.00 C ATOM 1024 O ALA A 65 -5.622 0.955 -4.773 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.399 4.084 -4.773 1.00 0.00 C ATOM 0 H ALA A 65 -4.333 4.290 -7.239 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.651 2.254 -5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.342 3.743 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.493 4.636 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.265 4.735 -4.893 1.00 0.00 H new ATOM 1031 N GLN A 66 -6.939 2.583 -5.601 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.181 1.889 -5.285 1.00 0.00 C ATOM 1033 C GLN A 66 -8.170 0.469 -5.844 1.00 0.00 C ATOM 1034 O GLN A 66 -8.629 -0.468 -5.192 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.377 2.661 -5.844 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.735 3.898 -5.036 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.130 4.408 -5.337 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.029 3.634 -5.670 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.321 5.717 -5.220 1.00 0.00 N ATOM 0 H GLN A 66 -7.064 3.490 -6.050 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.269 1.831 -4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.160 2.958 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.242 1.998 -5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.658 3.668 -3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.011 4.686 -5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.549 6.322 -4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.240 6.117 -5.409 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.644 0.320 -7.055 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.571 -0.984 -7.701 1.00 0.00 C ATOM 1050 C ALA A 67 -6.602 -1.907 -6.969 1.00 0.00 C ATOM 1051 O ALA A 67 -6.893 -3.082 -6.752 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.160 -0.831 -9.158 1.00 0.00 C ATOM 0 H ALA A 67 -7.262 1.087 -7.609 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.562 -1.436 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.110 -1.814 -9.627 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.893 -0.217 -9.680 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.182 -0.353 -9.212 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.448 -1.365 -6.592 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.436 -2.138 -5.885 1.00 0.00 C ATOM 1060 C ALA A 68 -5.036 -2.857 -4.681 1.00 0.00 C ATOM 1061 O ALA A 68 -4.667 -3.990 -4.374 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.293 -1.236 -5.446 1.00 0.00 C ATOM 0 H ALA A 68 -5.192 -0.393 -6.765 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.047 -2.892 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.544 -1.828 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.839 -0.772 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.676 -0.461 -4.782 1.00 0.00 H new ATOM 1068 N VAL A 69 -5.965 -2.190 -4.002 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.617 -2.765 -2.832 1.00 0.00 C ATOM 1070 C VAL A 69 -7.621 -3.839 -3.235 1.00 0.00 C ATOM 1071 O VAL A 69 -7.649 -4.924 -2.656 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.339 -1.686 -2.005 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.091 -2.317 -0.843 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.349 -0.644 -1.507 1.00 0.00 C ATOM 0 H VAL A 69 -6.282 -1.251 -4.243 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.834 -3.215 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.064 -1.187 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.595 -1.539 -0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.830 -3.021 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.388 -2.844 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.877 0.111 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.598 -1.126 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.861 -0.169 -2.358 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.442 -3.528 -4.231 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.448 -4.468 -4.713 1.00 0.00 C ATOM 1086 C ASP A 70 -8.806 -5.791 -5.117 1.00 0.00 C ATOM 1087 O ASP A 70 -9.486 -6.811 -5.239 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.206 -3.871 -5.901 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.703 -4.098 -5.805 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.112 -5.119 -5.213 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.465 -3.254 -6.322 1.00 0.00 O ATOM 0 H ASP A 70 -8.431 -2.633 -4.721 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.150 -4.659 -3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.006 -2.801 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.833 -4.312 -6.825 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.494 -5.768 -5.325 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.761 -6.965 -5.719 1.00 0.00 C ATOM 1098 C TYR A 71 -6.354 -7.781 -4.497 1.00 0.00 C ATOM 1099 O TYR A 71 -6.109 -8.984 -4.592 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.521 -6.585 -6.530 1.00 0.00 C ATOM 1101 CG TYR A 71 -5.047 -7.679 -7.459 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -4.194 -8.679 -7.009 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -5.451 -7.712 -8.788 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -3.757 -9.680 -7.856 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -5.021 -8.710 -9.641 1.00 0.00 C ATOM 1106 CZ TYR A 71 -4.174 -9.692 -9.171 1.00 0.00 C ATOM 1107 OH TYR A 71 -3.743 -10.686 -10.017 1.00 0.00 O ATOM 0 H TYR A 71 -6.916 -4.933 -5.227 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.418 -7.576 -6.338 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.740 -5.692 -7.116 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.714 -6.327 -5.844 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.867 -8.674 -5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.113 -6.944 -9.161 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.093 -10.449 -7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.346 -8.721 -10.671 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.130 -10.549 -10.907 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.284 -7.118 -3.347 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.904 -7.780 -2.105 1.00 0.00 C ATOM 1119 C TYR A 72 -7.103 -8.482 -1.474 1.00 0.00 C ATOM 1120 O TYR A 72 -6.948 -9.441 -0.717 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.317 -6.767 -1.122 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.603 -7.092 0.327 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.773 -7.945 1.044 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.704 -6.549 0.978 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.031 -8.246 2.368 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -6.969 -6.843 2.301 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.129 -7.692 2.992 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.391 -7.989 4.310 1.00 0.00 O ATOM 0 H TYR A 72 -6.486 -6.123 -3.250 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.148 -8.530 -2.338 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.238 -6.715 -1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.717 -5.779 -1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.912 -8.380 0.559 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.364 -5.885 0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.376 -8.911 2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.829 -6.411 2.792 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.200 -7.516 4.597 1.00 0.00 H new ATOM 1138 N THR A 73 -8.299 -7.997 -1.792 1.00 0.00 N ATOM 1139 CA THR A 73 -9.525 -8.577 -1.258 1.00 0.00 C ATOM 1140 C THR A 73 -9.915 -9.838 -2.019 1.00 0.00 C ATOM 1141 O THR A 73 -10.592 -10.716 -1.482 1.00 0.00 O ATOM 1142 CB THR A 73 -10.692 -7.573 -1.316 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.824 -8.097 -0.611 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.080 -7.277 -2.757 1.00 0.00 C ATOM 0 H THR A 73 -8.445 -7.204 -2.417 1.00 0.00 H new ATOM 0 HA THR A 73 -9.326 -8.833 -0.217 1.00 0.00 H new ATOM 0 HB THR A 73 -10.368 -6.645 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.561 -7.453 -0.651 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.906 -6.566 -2.773 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.226 -6.852 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.387 -8.200 -3.248 1.00 0.00 H new ATOM 1152 N THR A 74 -9.482 -9.925 -3.273 1.00 0.00 N ATOM 1153 CA THR A 74 -9.787 -11.079 -4.109 1.00 0.00 C ATOM 1154 C THR A 74 -8.591 -12.020 -4.204 1.00 0.00 C ATOM 1155 O THR A 74 -8.741 -13.203 -4.510 1.00 0.00 O ATOM 1156 CB THR A 74 -10.202 -10.650 -5.529 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.127 -9.951 -6.164 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.437 -9.763 -5.486 1.00 0.00 C ATOM 0 H THR A 74 -8.919 -9.209 -3.732 1.00 0.00 H new ATOM 0 HA THR A 74 -10.620 -11.600 -3.637 1.00 0.00 H new ATOM 0 HB THR A 74 -10.438 -11.547 -6.102 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.173 -9.000 -5.932 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.712 -9.472 -6.500 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.262 -10.310 -5.029 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.224 -8.870 -4.898 1.00 0.00 H new ATOM 1166 N THR A 75 -7.402 -11.486 -3.939 1.00 0.00 N ATOM 1167 CA THR A 75 -6.180 -12.279 -3.995 1.00 0.00 C ATOM 1168 C THR A 75 -5.241 -11.921 -2.848 1.00 0.00 C ATOM 1169 O THR A 75 -5.068 -10.754 -2.496 1.00 0.00 O ATOM 1170 CB THR A 75 -5.440 -12.077 -5.331 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.268 -12.507 -6.418 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.131 -12.852 -5.347 1.00 0.00 C ATOM 0 H THR A 75 -7.260 -10.509 -3.684 1.00 0.00 H new ATOM 0 HA THR A 75 -6.476 -13.324 -3.907 1.00 0.00 H new ATOM 0 HB THR A 75 -5.217 -11.016 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.792 -12.374 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.626 -12.694 -6.300 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.492 -12.503 -4.536 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.336 -13.915 -5.217 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.616 -12.948 -2.252 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.682 -12.766 -1.137 1.00 0.00 C ATOM 1182 C PRO A 76 -2.381 -12.102 -1.573 1.00 0.00 C ATOM 1183 O PRO A 76 -1.671 -12.614 -2.438 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.418 -14.196 -0.658 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.677 -15.049 -1.854 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.775 -14.365 -2.620 1.00 0.00 C ATOM 0 HA PRO A 76 -4.090 -12.112 -0.366 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.394 -14.312 -0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.075 -14.464 0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.779 -15.149 -2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.975 -16.055 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.669 -14.515 -3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.757 -14.745 -2.340 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.074 -10.958 -0.969 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.858 -10.226 -1.294 1.00 0.00 C ATOM 1196 C ALA A 77 0.313 -10.696 -0.438 1.00 0.00 C ATOM 1197 O ALA A 77 0.572 -10.146 0.634 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.077 -8.730 -1.115 1.00 0.00 C ATOM 0 H ALA A 77 -2.652 -10.519 -0.252 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.614 -10.425 -2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.159 -8.196 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.879 -8.398 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.350 -8.524 -0.080 1.00 0.00 H new ATOM 1204 N LEU A 78 1.015 -11.719 -0.913 1.00 0.00 N ATOM 1205 CA LEU A 78 2.158 -12.265 -0.190 1.00 0.00 C ATOM 1206 C LEU A 78 3.437 -11.514 -0.546 1.00 0.00 C ATOM 1207 O LEU A 78 3.967 -11.659 -1.649 1.00 0.00 O ATOM 1208 CB LEU A 78 2.322 -13.753 -0.504 1.00 0.00 C ATOM 1209 CG LEU A 78 1.199 -14.669 -0.013 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.555 -16.127 -0.258 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.920 -14.427 1.463 1.00 0.00 C ATOM 0 H LEU A 78 0.812 -12.187 -1.796 1.00 0.00 H new ATOM 0 HA LEU A 78 1.973 -12.144 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.412 -13.868 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.260 -14.095 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 78 0.295 -14.437 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.745 -16.764 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.704 -16.291 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.472 -16.373 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.119 -15.087 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.821 -14.631 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.620 -13.390 1.611 1.00 0.00 H new ATOM 1223 N VAL A 79 3.930 -10.715 0.394 1.00 0.00 N ATOM 1224 CA VAL A 79 5.150 -9.945 0.180 1.00 0.00 C ATOM 1225 C VAL A 79 6.366 -10.675 0.741 1.00 0.00 C ATOM 1226 O VAL A 79 6.397 -11.039 1.917 1.00 0.00 O ATOM 1227 CB VAL A 79 5.055 -8.552 0.831 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.357 -7.787 0.647 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.883 -7.773 0.254 1.00 0.00 C ATOM 0 H VAL A 79 3.504 -10.584 1.311 1.00 0.00 H new ATOM 0 HA VAL A 79 5.266 -9.827 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 79 4.885 -8.680 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.271 -6.805 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.173 -8.340 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.561 -7.667 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.831 -6.792 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.020 -7.653 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.957 -8.316 0.443 1.00 0.00 H new ATOM 1239 N PHE A 80 7.367 -10.883 -0.108 1.00 0.00 N ATOM 1240 CA PHE A 80 8.586 -11.570 0.302 1.00 0.00 C ATOM 1241 C PHE A 80 8.296 -13.023 0.665 1.00 0.00 C ATOM 1242 O PHE A 80 9.177 -13.746 1.128 1.00 0.00 O ATOM 1243 CB PHE A 80 9.224 -10.852 1.494 1.00 0.00 C ATOM 1244 CG PHE A 80 10.301 -9.881 1.103 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.282 -10.242 0.195 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.331 -8.605 1.644 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.275 -9.350 -0.167 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.320 -7.709 1.285 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.294 -8.082 0.380 1.00 0.00 C ATOM 0 H PHE A 80 7.358 -10.586 -1.084 1.00 0.00 H new ATOM 0 HA PHE A 80 9.281 -11.556 -0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.448 -10.320 2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.644 -11.594 2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.272 -11.232 -0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.573 -8.308 2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.034 -9.645 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.331 -6.717 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.069 -7.384 0.101 1.00 0.00 H new ATOM 1259 N GLY A 81 7.054 -13.445 0.448 1.00 0.00 N ATOM 1260 CA GLY A 81 6.669 -14.809 0.758 1.00 0.00 C ATOM 1261 C GLY A 81 5.605 -14.881 1.835 1.00 0.00 C ATOM 1262 O GLY A 81 4.917 -15.892 1.973 1.00 0.00 O ATOM 0 H GLY A 81 6.308 -12.866 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.300 -15.293 -0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.548 -15.366 1.082 1.00 0.00 H new ATOM 1266 N LYS A 82 5.470 -13.806 2.605 1.00 0.00 N ATOM 1267 CA LYS A 82 4.483 -13.750 3.676 1.00 0.00 C ATOM 1268 C LYS A 82 3.387 -12.739 3.354 1.00 0.00 C ATOM 1269 O LYS A 82 3.610 -11.744 2.664 1.00 0.00 O ATOM 1270 CB LYS A 82 5.158 -13.382 5.000 1.00 0.00 C ATOM 1271 CG LYS A 82 6.273 -12.362 4.852 1.00 0.00 C ATOM 1272 CD LYS A 82 7.597 -13.026 4.514 1.00 0.00 C ATOM 1273 CE LYS A 82 8.681 -12.647 5.511 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.615 -13.777 5.772 1.00 0.00 N ATOM 0 H LYS A 82 6.033 -12.961 2.507 1.00 0.00 H new ATOM 0 HA LYS A 82 4.027 -14.736 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.406 -12.989 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.562 -14.286 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.013 -11.649 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.375 -11.796 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.471 -14.109 4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.906 -12.734 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.242 -11.793 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.219 -12.334 6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.339 -13.478 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.085 -14.584 6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.075 -14.060 4.883 1.00 0.00 H new ATOM 1288 N PRO A 83 2.174 -12.997 3.866 1.00 0.00 N ATOM 1289 CA PRO A 83 1.020 -12.120 3.648 1.00 0.00 C ATOM 1290 C PRO A 83 1.156 -10.790 4.382 1.00 0.00 C ATOM 1291 O PRO A 83 1.834 -10.701 5.405 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.150 -12.927 4.214 1.00 0.00 C ATOM 1293 CG PRO A 83 0.467 -13.834 5.223 1.00 0.00 C ATOM 1294 CD PRO A 83 1.837 -14.165 4.698 1.00 0.00 C ATOM 0 HA PRO A 83 0.903 -11.853 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.896 -12.276 4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.656 -13.492 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.529 -13.349 6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.130 -14.737 5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.555 -14.303 5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.832 -15.086 4.115 1.00 0.00 H new ATOM 1302 N VAL A 84 0.504 -9.759 3.854 1.00 0.00 N ATOM 1303 CA VAL A 84 0.551 -8.434 4.460 1.00 0.00 C ATOM 1304 C VAL A 84 -0.809 -7.750 4.390 1.00 0.00 C ATOM 1305 O VAL A 84 -1.777 -8.318 3.883 1.00 0.00 O ATOM 1306 CB VAL A 84 1.599 -7.538 3.773 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.958 -8.221 3.763 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.158 -7.190 2.360 1.00 0.00 C ATOM 0 H VAL A 84 -0.063 -9.816 3.008 1.00 0.00 H new ATOM 0 HA VAL A 84 0.832 -8.574 5.504 1.00 0.00 H new ATOM 0 HB VAL A 84 1.688 -6.611 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.687 -7.574 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.275 -8.415 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.888 -9.164 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.910 -6.557 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.040 -8.105 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.207 -6.658 2.396 1.00 0.00 H new ATOM 1318 N ARG A 85 -0.877 -6.526 4.903 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.120 -5.763 4.900 1.00 0.00 C ATOM 1320 C ARG A 85 -2.094 -4.685 3.820 1.00 0.00 C ATOM 1321 O ARG A 85 -1.083 -4.010 3.626 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.354 -5.123 6.269 1.00 0.00 C ATOM 1323 CG ARG A 85 -2.636 -6.131 7.372 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.416 -5.500 8.516 1.00 0.00 C ATOM 1325 NE ARG A 85 -3.393 -6.330 9.717 1.00 0.00 N ATOM 1326 CZ ARG A 85 -2.292 -6.573 10.420 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -1.133 -6.052 10.045 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -2.351 -7.339 11.503 1.00 0.00 N ATOM 0 H ARG A 85 -0.086 -6.041 5.326 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.938 -6.450 4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.477 -4.535 6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.193 -4.430 6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.200 -6.970 6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.695 -6.532 7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.996 -4.520 8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.449 -5.340 8.206 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.269 -6.746 10.033 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.084 -5.462 9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.290 -6.241 10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.242 -7.741 11.795 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.506 -7.525 12.042 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.212 -4.530 3.119 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.318 -3.534 2.059 1.00 0.00 C ATOM 1344 C VAL A 86 -4.620 -2.748 2.172 1.00 0.00 C ATOM 1345 O VAL A 86 -5.702 -3.281 1.926 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.244 -4.187 0.666 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.497 -3.155 -0.422 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.896 -4.864 0.467 1.00 0.00 C ATOM 0 H VAL A 86 -4.058 -5.081 3.266 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.475 -2.854 2.178 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.021 -4.948 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.441 -3.635 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.488 -2.720 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.744 -2.369 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.861 -5.320 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.101 -4.124 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.760 -5.634 1.227 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.508 -1.477 2.543 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.676 -0.616 2.686 1.00 0.00 C ATOM 1360 C HIS A 87 -5.523 0.651 1.850 1.00 0.00 C ATOM 1361 O HIS A 87 -4.437 0.952 1.353 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.888 -0.249 4.155 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.072 -1.436 5.049 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.647 -1.465 6.360 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.641 -2.643 4.813 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.946 -2.638 6.892 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.550 -3.370 5.975 1.00 0.00 N ATOM 0 H HIS A 87 -3.620 -1.020 2.750 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.547 -1.164 2.327 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.032 0.329 4.504 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.763 0.396 4.237 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.084 -2.972 3.884 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.732 -2.945 7.905 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.894 -4.321 6.108 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.617 1.389 1.698 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.605 2.624 0.922 1.00 0.00 C ATOM 1377 C LEU A 88 -6.839 3.835 1.819 1.00 0.00 C ATOM 1378 O LEU A 88 -7.953 4.351 1.905 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.673 2.572 -0.172 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.322 3.271 -1.487 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.302 4.779 -1.300 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -5.982 2.778 -2.011 1.00 0.00 C ATOM 0 H LEU A 88 -7.524 1.154 2.102 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.623 2.723 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.894 1.526 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.588 3.017 0.220 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.089 3.027 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.051 5.260 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.284 5.118 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.557 5.043 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.748 3.286 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.204 2.991 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.032 1.703 -2.184 1.00 0.00 H new ATOM 1394 N SER A 89 -5.781 4.285 2.486 1.00 0.00 N ATOM 1395 CA SER A 89 -5.871 5.433 3.379 1.00 0.00 C ATOM 1396 C SER A 89 -6.788 6.504 2.797 1.00 0.00 C ATOM 1397 O SER A 89 -7.011 6.553 1.587 1.00 0.00 O ATOM 1398 CB SER A 89 -4.482 6.020 3.632 1.00 0.00 C ATOM 1399 OG SER A 89 -4.376 6.532 4.949 1.00 0.00 O ATOM 0 H SER A 89 -4.851 3.871 2.424 1.00 0.00 H new ATOM 0 HA SER A 89 -6.292 5.093 4.325 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.725 5.251 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.283 6.814 2.913 1.00 0.00 H new ATOM 0 HG SER A 89 -3.478 6.900 5.086 1.00 0.00 H new ATOM 1405 N GLN A 90 -7.318 7.358 3.666 1.00 0.00 N ATOM 1406 CA GLN A 90 -8.212 8.427 3.237 1.00 0.00 C ATOM 1407 C GLN A 90 -7.489 9.770 3.227 1.00 0.00 C ATOM 1408 O GLN A 90 -7.865 10.684 2.493 1.00 0.00 O ATOM 1409 CB GLN A 90 -9.432 8.499 4.158 1.00 0.00 C ATOM 1410 CG GLN A 90 -10.578 7.602 3.719 1.00 0.00 C ATOM 1411 CD GLN A 90 -11.921 8.071 4.244 1.00 0.00 C ATOM 1412 OE1 GLN A 90 -12.571 7.377 5.025 1.00 0.00 O ATOM 1413 NE2 GLN A 90 -12.343 9.257 3.819 1.00 0.00 N ATOM 0 H GLN A 90 -7.144 7.331 4.671 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.543 8.205 2.222 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.131 8.222 5.168 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.784 9.530 4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.610 7.567 2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.392 6.585 4.065 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.772 9.799 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.238 9.625 4.141 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.449 9.883 4.045 1.00 0.00 N ATOM 1423 CA LYS A 91 -5.670 11.114 4.129 1.00 0.00 C ATOM 1424 C LYS A 91 -4.223 10.817 4.511 1.00 0.00 C ATOM 1425 O LYS A 91 -3.946 9.861 5.236 1.00 0.00 O ATOM 1426 CB LYS A 91 -6.294 12.066 5.152 1.00 0.00 C ATOM 1427 CG LYS A 91 -6.513 11.434 6.517 1.00 0.00 C ATOM 1428 CD LYS A 91 -5.271 11.539 7.385 1.00 0.00 C ATOM 1429 CE LYS A 91 -5.180 10.383 8.369 1.00 0.00 C ATOM 1430 NZ LYS A 91 -4.612 10.810 9.677 1.00 0.00 N ATOM 0 H LYS A 91 -6.125 9.137 4.660 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.678 11.588 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.650 12.938 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.250 12.422 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.349 11.924 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.785 10.386 6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.383 11.550 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.286 12.482 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.172 9.960 8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.560 9.593 7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.567 9.993 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.655 11.190 9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.217 11.546 10.095 1.00 0.00 H new ATOM 1444 N TYR A 92 -3.307 11.642 4.019 1.00 0.00 N ATOM 1445 CA TYR A 92 -1.888 11.468 4.308 1.00 0.00 C ATOM 1446 C TYR A 92 -1.042 12.430 3.481 1.00 0.00 C ATOM 1447 O TYR A 92 -0.346 12.022 2.550 1.00 0.00 O ATOM 1448 CB TYR A 92 -1.462 10.026 4.027 1.00 0.00 C ATOM 1449 CG TYR A 92 -0.761 9.364 5.192 1.00 0.00 C ATOM 1450 CD1 TYR A 92 -1.236 9.513 6.489 1.00 0.00 C ATOM 1451 CD2 TYR A 92 0.375 8.589 4.995 1.00 0.00 C ATOM 1452 CE1 TYR A 92 -0.598 8.910 7.556 1.00 0.00 C ATOM 1453 CE2 TYR A 92 1.017 7.981 6.056 1.00 0.00 C ATOM 1454 CZ TYR A 92 0.528 8.145 7.334 1.00 0.00 C ATOM 1455 OH TYR A 92 1.166 7.543 8.394 1.00 0.00 O ATOM 0 H TYR A 92 -3.521 12.438 3.418 1.00 0.00 H new ATOM 0 HA TYR A 92 -1.729 11.688 5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.343 9.441 3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.800 10.014 3.161 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.118 10.110 6.666 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.763 8.460 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.979 9.037 8.559 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.898 7.380 5.885 1.00 0.00 H new ATOM 0 HH TYR A 92 1.448 6.640 8.136 1.00 0.00 H new ATOM 1465 N LYS A 93 -1.105 13.712 3.827 1.00 0.00 N ATOM 1466 CA LYS A 93 -0.344 14.735 3.120 1.00 0.00 C ATOM 1467 C LYS A 93 1.029 14.927 3.754 1.00 0.00 C ATOM 1468 O LYS A 93 1.225 15.822 4.577 1.00 0.00 O ATOM 1469 CB LYS A 93 -1.108 16.061 3.122 1.00 0.00 C ATOM 1470 CG LYS A 93 -0.958 16.851 1.834 1.00 0.00 C ATOM 1471 CD LYS A 93 -0.025 18.037 2.012 1.00 0.00 C ATOM 1472 CE LYS A 93 0.715 18.363 0.725 1.00 0.00 C ATOM 1473 NZ LYS A 93 -0.060 19.294 -0.141 1.00 0.00 N ATOM 0 H LYS A 93 -1.676 14.067 4.594 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.206 14.403 2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.166 15.861 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.759 16.671 3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.574 16.199 1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.936 17.203 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.598 18.907 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.695 17.820 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.680 18.809 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.916 17.442 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.479 19.491 -1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.971 18.859 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.230 20.183 0.371 1.00 0.00 H new ATOM 1487 N ARG A 94 1.979 14.083 3.366 1.00 0.00 N ATOM 1488 CA ARG A 94 3.335 14.160 3.897 1.00 0.00 C ATOM 1489 C ARG A 94 4.338 13.560 2.915 1.00 0.00 C ATOM 1490 O ARG A 94 5.423 14.106 2.711 1.00 0.00 O ATOM 1491 CB ARG A 94 3.422 13.433 5.239 1.00 0.00 C ATOM 1492 CG ARG A 94 4.299 14.141 6.259 1.00 0.00 C ATOM 1493 CD ARG A 94 3.536 14.432 7.543 1.00 0.00 C ATOM 1494 NE ARG A 94 4.404 14.388 8.717 1.00 0.00 N ATOM 1495 CZ ARG A 94 4.987 13.280 9.160 1.00 0.00 C ATOM 1496 NH1 ARG A 94 4.794 12.130 8.531 1.00 0.00 N ATOM 1497 NH2 ARG A 94 5.762 13.321 10.235 1.00 0.00 N ATOM 0 H ARG A 94 1.835 13.337 2.685 1.00 0.00 H new ATOM 0 HA ARG A 94 3.581 15.211 4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.418 13.324 5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.810 12.428 5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.169 13.524 6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.671 15.074 5.836 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.070 15.415 7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.732 13.706 7.659 1.00 0.00 H new ATOM 0 HE ARG A 94 4.572 15.257 9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.197 12.095 7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.243 11.280 8.873 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.911 14.204 10.723 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.209 12.469 10.574 1.00 0.00 H new ATOM 1511 N ILE A 95 3.968 12.435 2.312 1.00 0.00 N ATOM 1512 CA ILE A 95 4.834 11.763 1.353 1.00 0.00 C ATOM 1513 C ILE A 95 5.648 12.770 0.546 1.00 0.00 C ATOM 1514 O ILE A 95 5.095 13.565 -0.214 1.00 0.00 O ATOM 1515 CB ILE A 95 4.026 10.880 0.385 1.00 0.00 C ATOM 1516 CG1 ILE A 95 3.245 9.817 1.161 1.00 0.00 C ATOM 1517 CG2 ILE A 95 4.947 10.228 -0.635 1.00 0.00 C ATOM 1518 CD1 ILE A 95 2.317 8.996 0.294 1.00 0.00 C ATOM 0 H ILE A 95 3.074 11.970 2.471 1.00 0.00 H new ATOM 0 HA ILE A 95 5.510 11.131 1.929 1.00 0.00 H new ATOM 0 HB ILE A 95 3.315 11.510 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.950 9.150 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.662 10.304 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.359 9.607 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.462 11.000 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.681 9.608 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.797 8.263 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.589 9.652 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.896 8.480 -0.472 1.00 0.00 H new ATOM 1530 N LYS A 96 6.965 12.729 0.715 1.00 0.00 N ATOM 1531 CA LYS A 96 7.857 13.636 0.001 1.00 0.00 C ATOM 1532 C LYS A 96 7.316 15.062 0.024 1.00 0.00 C ATOM 1533 O LYS A 96 6.496 15.438 -0.814 1.00 0.00 O ATOM 1534 CB LYS A 96 8.038 13.170 -1.446 1.00 0.00 C ATOM 1535 CG LYS A 96 9.374 12.499 -1.706 1.00 0.00 C ATOM 1536 CD LYS A 96 10.245 13.328 -2.635 1.00 0.00 C ATOM 1537 CE LYS A 96 11.693 13.349 -2.171 1.00 0.00 C ATOM 1538 NZ LYS A 96 12.628 12.935 -3.253 1.00 0.00 N ATOM 0 H LYS A 96 7.439 12.077 1.340 1.00 0.00 H new ATOM 0 HA LYS A 96 8.824 13.626 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.237 12.475 -1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.936 14.028 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.894 12.344 -0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.208 11.515 -2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.191 12.921 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.862 14.347 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.951 14.352 -1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.810 12.684 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.605 12.962 -2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.398 11.968 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.535 13.585 -4.060 1.00 0.00 H new ATOM 1552 N SER A 97 7.781 15.850 0.987 1.00 0.00 N ATOM 1553 CA SER A 97 7.342 17.235 1.120 1.00 0.00 C ATOM 1554 C SER A 97 8.382 18.065 1.865 1.00 0.00 C ATOM 1555 O SER A 97 8.865 19.076 1.356 1.00 0.00 O ATOM 1556 CB SER A 97 6.001 17.298 1.855 1.00 0.00 C ATOM 1557 OG SER A 97 5.019 17.948 1.068 1.00 0.00 O ATOM 0 H SER A 97 8.461 15.554 1.687 1.00 0.00 H new ATOM 0 HA SER A 97 7.220 17.650 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.668 16.289 2.098 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.125 17.828 2.799 1.00 0.00 H new ATOM 0 HG SER A 97 4.171 17.974 1.559 1.00 0.00 H new ATOM 1563 N GLY A 98 8.724 17.630 3.074 1.00 0.00 N ATOM 1564 CA GLY A 98 9.705 18.345 3.870 1.00 0.00 C ATOM 1565 C GLY A 98 9.122 19.571 4.545 1.00 0.00 C ATOM 1566 O GLY A 98 9.234 20.691 4.048 1.00 0.00 O ATOM 0 H GLY A 98 8.339 16.795 3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.111 17.675 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.536 18.646 3.232 1.00 0.00 H new ATOM 1570 N PRO A 99 8.481 19.363 5.705 1.00 0.00 N ATOM 1571 CA PRO A 99 7.865 20.449 6.474 1.00 0.00 C ATOM 1572 C PRO A 99 8.900 21.377 7.098 1.00 0.00 C ATOM 1573 O PRO A 99 10.036 20.975 7.352 1.00 0.00 O ATOM 1574 CB PRO A 99 7.080 19.713 7.562 1.00 0.00 C ATOM 1575 CG PRO A 99 7.784 18.409 7.720 1.00 0.00 C ATOM 1576 CD PRO A 99 8.308 18.054 6.356 1.00 0.00 C ATOM 0 HA PRO A 99 7.248 21.093 5.847 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.074 20.276 8.496 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.040 19.569 7.271 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.597 18.489 8.442 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.105 17.641 8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 99 9.249 17.508 6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.608 17.422 5.809 1.00 0.00 H new ATOM 1584 N SER A 100 8.501 22.621 7.345 1.00 0.00 N ATOM 1585 CA SER A 100 9.396 23.608 7.937 1.00 0.00 C ATOM 1586 C SER A 100 8.885 24.053 9.305 1.00 0.00 C ATOM 1587 O SER A 100 7.763 24.540 9.432 1.00 0.00 O ATOM 1588 CB SER A 100 9.537 24.820 7.015 1.00 0.00 C ATOM 1589 OG SER A 100 10.763 25.493 7.240 1.00 0.00 O ATOM 0 H SER A 100 7.563 22.969 7.144 1.00 0.00 H new ATOM 0 HA SER A 100 10.374 23.143 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.481 24.498 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.706 25.506 7.181 1.00 0.00 H new ATOM 0 HG SER A 100 10.829 26.263 6.637 1.00 0.00 H new ATOM 1595 N SER A 101 9.719 23.881 10.326 1.00 0.00 N ATOM 1596 CA SER A 101 9.352 24.261 11.685 1.00 0.00 C ATOM 1597 C SER A 101 10.556 24.825 12.435 1.00 0.00 C ATOM 1598 O SER A 101 11.698 24.455 12.167 1.00 0.00 O ATOM 1599 CB SER A 101 8.786 23.055 12.439 1.00 0.00 C ATOM 1600 OG SER A 101 7.580 23.389 13.103 1.00 0.00 O ATOM 0 H SER A 101 10.653 23.481 10.238 1.00 0.00 H new ATOM 0 HA SER A 101 8.587 25.035 11.626 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.606 22.237 11.741 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.518 22.700 13.164 1.00 0.00 H new ATOM 0 HG SER A 101 7.238 22.602 13.576 1.00 0.00 H new ATOM 1606 N GLY A 102 10.289 25.724 13.378 1.00 0.00 N ATOM 1607 CA GLY A 102 11.358 26.327 14.152 1.00 0.00 C ATOM 1608 C GLY A 102 11.186 27.824 14.312 1.00 0.00 C ATOM 1609 O GLY A 102 10.066 28.334 14.276 1.00 0.00 O ATOM 0 H GLY A 102 9.351 26.045 13.619 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.396 25.862 15.137 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.313 26.124 13.667 1.00 0.00 H new TER 1613 GLY A 102