USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 60 GLN : amide:sc= -0.0398 K(o=-1.7,f=-3.6!) USER MOD Set 1.2: A 68 GLN : amide:sc= -1.64! K(o=-1.7!,f=-3.6) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -0.0189 (180deg=-0.183) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.84! C(o=-1.8!,f=-6.8!) USER MOD Single : A 28 TYR OH : rot -145:sc= 0.247 USER MOD Single : A 31 THR OG1 : rot 88:sc= 1.24 USER MOD Single : A 33 GLN : amide:sc= 0.948 K(o=0.95,f=-1.8) USER MOD Single : A 34 SER OG : rot -81:sc= 1.03 USER MOD Single : A 35 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.58) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.779 K(o=0.78,f=-8.7!) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= -0.027 (180deg=-0.166) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00644 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.029 F(o=-1.4!,f=-0.029) USER MOD Single : A 53 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 58 TYR OH : rot 53:sc= -0.979 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 71 SER OG : rot 78:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -7.180 -10.222 -0.358 1.00 0.00 N ATOM 78 CA LYS A 6 -5.763 -10.140 -0.604 1.00 0.00 C ATOM 79 C LYS A 6 -5.484 -8.839 -1.287 1.00 0.00 C ATOM 80 O LYS A 6 -6.069 -8.544 -2.336 1.00 0.00 O ATOM 81 CB LYS A 6 -5.277 -11.296 -1.484 1.00 0.00 C ATOM 82 CG LYS A 6 -5.376 -12.667 -0.837 1.00 0.00 C ATOM 83 CD LYS A 6 -4.446 -12.819 0.373 1.00 0.00 C ATOM 84 CE LYS A 6 -2.965 -12.784 -0.016 1.00 0.00 C ATOM 85 NZ LYS A 6 -2.599 -13.861 -0.974 1.00 0.00 N ATOM 0 HA LYS A 6 -5.233 -10.204 0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.857 -11.301 -2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.239 -11.113 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.405 -12.843 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.133 -13.431 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.650 -12.020 1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.663 -13.760 0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.732 -11.815 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.355 -12.879 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.564 -13.911 -1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.962 -14.772 -0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.015 -13.654 -1.905 1.00 0.00 H new ATOM 99 N LEU A 7 -4.645 -8.056 -0.705 1.00 0.00 N ATOM 100 CA LEU A 7 -4.322 -6.771 -1.247 1.00 0.00 C ATOM 101 C LEU A 7 -2.921 -6.836 -1.797 1.00 0.00 C ATOM 102 O LEU A 7 -1.975 -7.050 -1.053 1.00 0.00 O ATOM 103 CB LEU A 7 -4.423 -5.722 -0.144 1.00 0.00 C ATOM 104 CG LEU A 7 -5.733 -5.725 0.654 1.00 0.00 C ATOM 105 CD1 LEU A 7 -5.713 -4.664 1.716 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.934 -5.541 -0.252 1.00 0.00 C ATOM 0 H LEU A 7 -4.159 -8.283 0.162 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.013 -6.497 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.595 -5.869 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.293 -4.737 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.821 -6.699 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.652 -4.685 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.885 -4.849 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.587 -3.686 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.845 -5.548 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.852 -4.589 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.970 -6.353 -0.978 1.00 0.00 H new ATOM 118 N VAL A 8 -2.780 -6.699 -3.073 1.00 0.00 N ATOM 119 CA VAL A 8 -1.482 -6.820 -3.674 1.00 0.00 C ATOM 120 C VAL A 8 -0.949 -5.467 -4.136 1.00 0.00 C ATOM 121 O VAL A 8 -1.630 -4.714 -4.827 1.00 0.00 O ATOM 122 CB VAL A 8 -1.462 -7.893 -4.810 1.00 0.00 C ATOM 123 CG1 VAL A 8 -2.478 -7.595 -5.908 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.058 -8.081 -5.381 1.00 0.00 C ATOM 0 H VAL A 8 -3.541 -6.504 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.799 -7.178 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.761 -8.837 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.424 -8.369 -6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.481 -7.576 -5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.256 -6.626 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.083 -8.834 -6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.296 -7.137 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.616 -8.406 -4.589 1.00 0.00 H new ATOM 134 N LEU A 9 0.233 -5.144 -3.685 1.00 0.00 N ATOM 135 CA LEU A 9 0.894 -3.919 -4.042 1.00 0.00 C ATOM 136 C LEU A 9 2.027 -4.214 -5.006 1.00 0.00 C ATOM 137 O LEU A 9 2.902 -5.033 -4.702 1.00 0.00 O ATOM 138 CB LEU A 9 1.485 -3.246 -2.790 1.00 0.00 C ATOM 139 CG LEU A 9 0.514 -2.869 -1.667 1.00 0.00 C ATOM 140 CD1 LEU A 9 1.276 -2.267 -0.499 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.535 -1.889 -2.165 1.00 0.00 C ATOM 0 H LEU A 9 0.771 -5.733 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 9 0.164 -3.256 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.239 -3.914 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.002 -2.340 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 9 0.007 -3.775 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.577 -2.002 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.995 -2.993 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.803 -1.373 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.213 -1.636 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.046 -0.984 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.100 -2.343 -2.979 1.00 0.00 H new ATOM 153 N ASP A 10 2.005 -3.598 -6.165 1.00 0.00 N ATOM 154 CA ASP A 10 3.127 -3.706 -7.090 1.00 0.00 C ATOM 155 C ASP A 10 4.223 -2.791 -6.614 1.00 0.00 C ATOM 156 O ASP A 10 4.139 -1.573 -6.776 1.00 0.00 O ATOM 157 CB ASP A 10 2.772 -3.336 -8.548 1.00 0.00 C ATOM 158 CG ASP A 10 1.908 -4.338 -9.263 1.00 0.00 C ATOM 159 OD1 ASP A 10 2.430 -5.371 -9.749 1.00 0.00 O ATOM 160 OD2 ASP A 10 0.696 -4.111 -9.394 1.00 0.00 O ATOM 0 H ASP A 10 1.233 -3.019 -6.495 1.00 0.00 H new ATOM 0 HA ASP A 10 3.434 -4.752 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.263 -2.372 -8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.697 -3.208 -9.111 1.00 0.00 H new ATOM 165 N LEU A 11 5.244 -3.358 -6.024 1.00 0.00 N ATOM 166 CA LEU A 11 6.351 -2.585 -5.484 1.00 0.00 C ATOM 167 C LEU A 11 7.161 -1.965 -6.605 1.00 0.00 C ATOM 168 O LEU A 11 7.796 -0.926 -6.435 1.00 0.00 O ATOM 169 CB LEU A 11 7.243 -3.446 -4.582 1.00 0.00 C ATOM 170 CG LEU A 11 6.568 -4.061 -3.346 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.571 -4.873 -2.547 1.00 0.00 C ATOM 172 CD2 LEU A 11 5.938 -2.982 -2.469 1.00 0.00 C ATOM 0 H LEU A 11 5.339 -4.366 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 11 5.935 -1.784 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.659 -4.255 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.081 -2.835 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 11 5.773 -4.723 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.079 -5.303 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.969 -5.674 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.386 -4.226 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.468 -3.446 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.709 -2.288 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.186 -2.440 -3.043 1.00 0.00 H new ATOM 184 N GLU A 12 7.131 -2.601 -7.752 1.00 0.00 N ATOM 185 CA GLU A 12 7.786 -2.082 -8.939 1.00 0.00 C ATOM 186 C GLU A 12 7.079 -0.816 -9.418 1.00 0.00 C ATOM 187 O GLU A 12 7.721 0.150 -9.829 1.00 0.00 O ATOM 188 CB GLU A 12 7.814 -3.149 -10.025 1.00 0.00 C ATOM 189 CG GLU A 12 8.621 -4.375 -9.635 1.00 0.00 C ATOM 190 CD GLU A 12 10.106 -4.097 -9.535 1.00 0.00 C ATOM 191 OE1 GLU A 12 10.544 -3.330 -8.646 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.874 -4.654 -10.341 1.00 0.00 O ATOM 0 H GLU A 12 6.654 -3.491 -7.893 1.00 0.00 H new ATOM 0 HA GLU A 12 8.816 -1.818 -8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.792 -3.452 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.232 -2.721 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.262 -4.750 -8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.453 -5.163 -10.369 1.00 0.00 H new ATOM 199 N ARG A 13 5.761 -0.811 -9.303 1.00 0.00 N ATOM 200 CA ARG A 13 4.960 0.346 -9.666 1.00 0.00 C ATOM 201 C ARG A 13 5.102 1.416 -8.589 1.00 0.00 C ATOM 202 O ARG A 13 5.111 2.604 -8.876 1.00 0.00 O ATOM 203 CB ARG A 13 3.487 -0.054 -9.837 1.00 0.00 C ATOM 204 CG ARG A 13 2.548 1.087 -10.212 1.00 0.00 C ATOM 205 CD ARG A 13 2.880 1.698 -11.563 1.00 0.00 C ATOM 206 NE ARG A 13 1.989 2.824 -11.874 1.00 0.00 N ATOM 207 CZ ARG A 13 1.946 3.487 -13.036 1.00 0.00 C ATOM 208 NH1 ARG A 13 2.726 3.123 -14.047 1.00 0.00 N ATOM 209 NH2 ARG A 13 1.111 4.509 -13.184 1.00 0.00 N ATOM 0 H ARG A 13 5.219 -1.603 -8.958 1.00 0.00 H new ATOM 0 HA ARG A 13 5.314 0.745 -10.616 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.422 -0.825 -10.605 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.137 -0.501 -8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.522 0.718 -10.226 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.598 1.860 -9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.915 2.039 -11.565 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.793 0.938 -12.339 1.00 0.00 H new ATOM 0 HE ARG A 13 1.348 3.127 -11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.363 2.334 -13.941 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.688 3.633 -14.930 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.504 4.787 -12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.077 5.016 -14.069 1.00 0.00 H new ATOM 223 N LEU A 14 5.236 0.972 -7.348 1.00 0.00 N ATOM 224 CA LEU A 14 5.425 1.869 -6.211 1.00 0.00 C ATOM 225 C LEU A 14 6.730 2.648 -6.350 1.00 0.00 C ATOM 226 O LEU A 14 6.823 3.791 -5.946 1.00 0.00 O ATOM 227 CB LEU A 14 5.413 1.080 -4.899 1.00 0.00 C ATOM 228 CG LEU A 14 5.590 1.898 -3.616 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.467 2.918 -3.463 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.657 0.981 -2.410 1.00 0.00 C ATOM 0 H LEU A 14 5.217 -0.017 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 14 4.600 2.581 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.469 0.539 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.206 0.333 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 14 6.530 2.445 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.615 3.487 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.474 3.597 -4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.509 2.400 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.783 1.577 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.734 0.405 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.502 0.301 -2.517 1.00 0.00 H new ATOM 242 N ALA A 15 7.712 2.034 -6.976 1.00 0.00 N ATOM 243 CA ALA A 15 8.998 2.673 -7.193 1.00 0.00 C ATOM 244 C ALA A 15 8.916 3.724 -8.314 1.00 0.00 C ATOM 245 O ALA A 15 9.873 4.454 -8.566 1.00 0.00 O ATOM 246 CB ALA A 15 10.064 1.628 -7.493 1.00 0.00 C ATOM 0 H ALA A 15 7.645 1.086 -7.347 1.00 0.00 H new ATOM 0 HA ALA A 15 9.279 3.195 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.022 2.122 -7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.146 0.940 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.787 1.073 -8.389 1.00 0.00 H new ATOM 252 N THR A 16 7.787 3.781 -8.989 1.00 0.00 N ATOM 253 CA THR A 16 7.540 4.770 -10.017 1.00 0.00 C ATOM 254 C THR A 16 6.844 5.993 -9.373 1.00 0.00 C ATOM 255 O THR A 16 6.771 7.081 -9.945 1.00 0.00 O ATOM 256 CB THR A 16 6.646 4.146 -11.113 1.00 0.00 C ATOM 257 OG1 THR A 16 7.224 2.887 -11.507 1.00 0.00 O ATOM 258 CG2 THR A 16 6.553 5.044 -12.337 1.00 0.00 C ATOM 0 H THR A 16 7.010 3.138 -8.839 1.00 0.00 H new ATOM 0 HA THR A 16 8.476 5.094 -10.472 1.00 0.00 H new ATOM 0 HB THR A 16 5.642 4.015 -10.709 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.669 2.475 -12.201 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.917 4.573 -13.086 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.127 6.006 -12.051 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.549 5.198 -12.752 1.00 0.00 H new ATOM 266 N VAL A 17 6.370 5.793 -8.166 1.00 0.00 N ATOM 267 CA VAL A 17 5.720 6.829 -7.400 1.00 0.00 C ATOM 268 C VAL A 17 6.815 7.642 -6.697 1.00 0.00 C ATOM 269 O VAL A 17 7.808 7.051 -6.249 1.00 0.00 O ATOM 270 CB VAL A 17 4.748 6.192 -6.346 1.00 0.00 C ATOM 271 CG1 VAL A 17 4.063 7.238 -5.474 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.705 5.327 -7.042 1.00 0.00 C ATOM 0 H VAL A 17 6.426 4.896 -7.683 1.00 0.00 H new ATOM 0 HA VAL A 17 5.129 7.474 -8.050 1.00 0.00 H new ATOM 0 HB VAL A 17 5.356 5.572 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.402 6.743 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.816 7.810 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.480 7.911 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.038 4.892 -6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.127 5.940 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.203 4.529 -7.593 1.00 0.00 H new ATOM 282 N PRO A 18 6.709 9.001 -6.674 1.00 0.00 N ATOM 283 CA PRO A 18 7.669 9.874 -5.986 1.00 0.00 C ATOM 284 C PRO A 18 8.008 9.364 -4.577 1.00 0.00 C ATOM 285 O PRO A 18 7.105 9.001 -3.790 1.00 0.00 O ATOM 286 CB PRO A 18 6.948 11.237 -5.913 1.00 0.00 C ATOM 287 CG PRO A 18 5.580 11.004 -6.471 1.00 0.00 C ATOM 288 CD PRO A 18 5.679 9.791 -7.347 1.00 0.00 C ATOM 0 HA PRO A 18 8.623 9.920 -6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.895 11.597 -4.886 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.482 11.993 -6.489 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.856 10.847 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.241 11.868 -7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.732 9.256 -7.408 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.966 10.048 -8.367 1.00 0.00 H new ATOM 296 N ALA A 19 9.295 9.383 -4.247 1.00 0.00 N ATOM 297 CA ALA A 19 9.820 8.826 -3.003 1.00 0.00 C ATOM 298 C ALA A 19 9.266 9.521 -1.775 1.00 0.00 C ATOM 299 O ALA A 19 9.323 8.978 -0.673 1.00 0.00 O ATOM 300 CB ALA A 19 11.332 8.850 -2.995 1.00 0.00 C ATOM 0 H ALA A 19 10.014 9.791 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 19 9.487 7.789 -2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.698 8.430 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.710 8.259 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.680 9.878 -3.092 1.00 0.00 H new ATOM 306 N GLU A 20 8.735 10.712 -1.962 1.00 0.00 N ATOM 307 CA GLU A 20 8.085 11.439 -0.891 1.00 0.00 C ATOM 308 C GLU A 20 6.897 10.638 -0.354 1.00 0.00 C ATOM 309 O GLU A 20 6.677 10.569 0.845 1.00 0.00 O ATOM 310 CB GLU A 20 7.608 12.788 -1.382 1.00 0.00 C ATOM 311 CG GLU A 20 8.713 13.723 -1.809 1.00 0.00 C ATOM 312 CD GLU A 20 8.172 15.024 -2.331 1.00 0.00 C ATOM 313 OE1 GLU A 20 7.507 15.756 -1.569 1.00 0.00 O ATOM 314 OE2 GLU A 20 8.360 15.321 -3.518 1.00 0.00 O ATOM 0 H GLU A 20 8.742 11.202 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 20 8.808 11.589 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.932 12.636 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.030 13.265 -0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.372 13.917 -0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.316 13.244 -2.580 1.00 0.00 H new ATOM 321 N LYS A 21 6.158 10.014 -1.249 1.00 0.00 N ATOM 322 CA LYS A 21 5.002 9.224 -0.863 1.00 0.00 C ATOM 323 C LYS A 21 5.349 7.740 -0.827 1.00 0.00 C ATOM 324 O LYS A 21 4.868 7.002 0.031 1.00 0.00 O ATOM 325 CB LYS A 21 3.822 9.488 -1.808 1.00 0.00 C ATOM 326 CG LYS A 21 3.336 10.931 -1.788 1.00 0.00 C ATOM 327 CD LYS A 21 2.182 11.154 -2.752 1.00 0.00 C ATOM 328 CE LYS A 21 1.699 12.598 -2.709 1.00 0.00 C ATOM 329 NZ LYS A 21 0.531 12.820 -3.585 1.00 0.00 N ATOM 0 H LYS A 21 6.337 10.038 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 21 4.704 9.525 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.116 9.226 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.996 8.831 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.021 11.194 -0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.160 11.595 -2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.497 10.903 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.359 10.485 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.438 12.862 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.510 13.260 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.236 13.815 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.786 12.593 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.253 12.208 -3.281 1.00 0.00 H new ATOM 343 N ALA A 22 6.210 7.315 -1.739 1.00 0.00 N ATOM 344 CA ALA A 22 6.605 5.915 -1.819 1.00 0.00 C ATOM 345 C ALA A 22 7.483 5.504 -0.641 1.00 0.00 C ATOM 346 O ALA A 22 7.368 4.397 -0.146 1.00 0.00 O ATOM 347 CB ALA A 22 7.316 5.632 -3.131 1.00 0.00 C ATOM 0 H ALA A 22 6.649 7.918 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 22 5.694 5.319 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.602 4.581 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.648 5.858 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.208 6.254 -3.203 1.00 0.00 H new ATOM 353 N GLY A 23 8.327 6.423 -0.189 1.00 0.00 N ATOM 354 CA GLY A 23 9.274 6.164 0.906 1.00 0.00 C ATOM 355 C GLY A 23 8.623 5.638 2.192 1.00 0.00 C ATOM 356 O GLY A 23 9.009 4.569 2.677 1.00 0.00 O ATOM 0 H GLY A 23 8.380 7.369 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.016 5.441 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.809 7.086 1.134 1.00 0.00 H new ATOM 360 N PRO A 24 7.634 6.368 2.779 1.00 0.00 N ATOM 361 CA PRO A 24 6.908 5.912 3.984 1.00 0.00 C ATOM 362 C PRO A 24 6.281 4.517 3.807 1.00 0.00 C ATOM 363 O PRO A 24 6.163 3.740 4.773 1.00 0.00 O ATOM 364 CB PRO A 24 5.809 6.962 4.151 1.00 0.00 C ATOM 365 CG PRO A 24 6.373 8.186 3.542 1.00 0.00 C ATOM 366 CD PRO A 24 7.189 7.719 2.374 1.00 0.00 C ATOM 0 HA PRO A 24 7.573 5.819 4.843 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.889 6.657 3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.565 7.118 5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.582 8.864 3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.989 8.731 4.257 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.598 7.689 1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.035 8.380 2.186 1.00 0.00 H new ATOM 374 N LEU A 25 5.907 4.191 2.587 1.00 0.00 N ATOM 375 CA LEU A 25 5.320 2.905 2.304 1.00 0.00 C ATOM 376 C LEU A 25 6.401 1.848 2.096 1.00 0.00 C ATOM 377 O LEU A 25 6.243 0.706 2.517 1.00 0.00 O ATOM 378 CB LEU A 25 4.334 2.995 1.129 1.00 0.00 C ATOM 379 CG LEU A 25 3.683 1.680 0.652 1.00 0.00 C ATOM 380 CD1 LEU A 25 3.005 0.951 1.799 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.668 1.969 -0.432 1.00 0.00 C ATOM 0 H LEU A 25 6.001 4.803 1.776 1.00 0.00 H new ATOM 0 HA LEU A 25 4.738 2.588 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.537 3.684 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.857 3.439 0.282 1.00 0.00 H new ATOM 0 HG LEU A 25 4.472 1.040 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.556 0.029 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.742 0.714 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.229 1.586 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.213 1.035 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.895 2.630 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.163 2.450 -1.275 1.00 0.00 H new ATOM 393 N GLN A 26 7.518 2.240 1.500 1.00 0.00 N ATOM 394 CA GLN A 26 8.655 1.340 1.338 1.00 0.00 C ATOM 395 C GLN A 26 9.210 0.921 2.683 1.00 0.00 C ATOM 396 O GLN A 26 9.675 -0.187 2.845 1.00 0.00 O ATOM 397 CB GLN A 26 9.748 1.938 0.446 1.00 0.00 C ATOM 398 CG GLN A 26 9.397 1.976 -1.042 1.00 0.00 C ATOM 399 CD GLN A 26 9.250 0.582 -1.661 1.00 0.00 C ATOM 400 OE1 GLN A 26 8.863 -0.383 -1.005 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.566 0.466 -2.921 1.00 0.00 N ATOM 0 H GLN A 26 7.663 3.175 1.120 1.00 0.00 H new ATOM 0 HA GLN A 26 8.288 0.449 0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.961 2.953 0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.663 1.361 0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.466 2.526 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.171 2.525 -1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.885 1.282 -3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.495 -0.440 -3.383 1.00 0.00 H new ATOM 410 N ARG A 27 9.130 1.815 3.651 1.00 0.00 N ATOM 411 CA ARG A 27 9.494 1.501 5.031 1.00 0.00 C ATOM 412 C ARG A 27 8.618 0.394 5.590 1.00 0.00 C ATOM 413 O ARG A 27 9.092 -0.505 6.292 1.00 0.00 O ATOM 414 CB ARG A 27 9.343 2.729 5.896 1.00 0.00 C ATOM 415 CG ARG A 27 10.563 3.614 5.961 1.00 0.00 C ATOM 416 CD ARG A 27 11.669 2.928 6.754 1.00 0.00 C ATOM 417 NE ARG A 27 11.220 2.605 8.122 1.00 0.00 N ATOM 418 CZ ARG A 27 11.710 1.631 8.900 1.00 0.00 C ATOM 419 NH1 ARG A 27 12.715 0.862 8.476 1.00 0.00 N ATOM 420 NH2 ARG A 27 11.186 1.428 10.106 1.00 0.00 N ATOM 0 H ARG A 27 8.814 2.774 3.510 1.00 0.00 H new ATOM 0 HA ARG A 27 10.531 1.166 5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.505 3.317 5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.086 2.414 6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.913 3.838 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.307 4.565 6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.974 2.015 6.243 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.544 3.576 6.799 1.00 0.00 H new ATOM 0 HE ARG A 27 10.469 3.175 8.510 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.118 1.013 7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.080 0.123 9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.416 2.012 10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.554 0.688 10.704 1.00 0.00 H new ATOM 434 N TYR A 28 7.353 0.455 5.263 1.00 0.00 N ATOM 435 CA TYR A 28 6.399 -0.519 5.728 1.00 0.00 C ATOM 436 C TYR A 28 6.647 -1.829 4.994 1.00 0.00 C ATOM 437 O TYR A 28 6.712 -2.882 5.607 1.00 0.00 O ATOM 438 CB TYR A 28 4.981 -0.006 5.484 1.00 0.00 C ATOM 439 CG TYR A 28 3.880 -0.818 6.133 1.00 0.00 C ATOM 440 CD1 TYR A 28 3.500 -0.563 7.443 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.199 -1.807 5.435 1.00 0.00 C ATOM 442 CE1 TYR A 28 2.480 -1.270 8.043 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.169 -2.514 6.027 1.00 0.00 C ATOM 444 CZ TYR A 28 1.816 -2.240 7.333 1.00 0.00 C ATOM 445 OH TYR A 28 0.785 -2.932 7.926 1.00 0.00 O ATOM 0 H TYR A 28 6.955 1.181 4.667 1.00 0.00 H new ATOM 0 HA TYR A 28 6.513 -0.687 6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.916 1.020 5.847 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.803 0.024 4.409 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.013 0.204 8.003 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.478 -2.027 4.415 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.204 -1.062 9.066 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.644 -3.276 5.471 1.00 0.00 H new ATOM 0 HH TYR A 28 0.786 -3.858 7.606 1.00 0.00 H new ATOM 455 N ALA A 29 6.851 -1.729 3.682 1.00 0.00 N ATOM 456 CA ALA A 29 7.136 -2.875 2.829 1.00 0.00 C ATOM 457 C ALA A 29 8.408 -3.584 3.277 1.00 0.00 C ATOM 458 O ALA A 29 8.435 -4.809 3.379 1.00 0.00 O ATOM 459 CB ALA A 29 7.252 -2.441 1.374 1.00 0.00 C ATOM 0 H ALA A 29 6.822 -0.842 3.179 1.00 0.00 H new ATOM 0 HA ALA A 29 6.307 -3.577 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.465 -3.310 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.314 -1.986 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.060 -1.716 1.274 1.00 0.00 H new ATOM 465 N ALA A 30 9.440 -2.798 3.588 1.00 0.00 N ATOM 466 CA ALA A 30 10.723 -3.321 4.063 1.00 0.00 C ATOM 467 C ALA A 30 10.530 -4.080 5.366 1.00 0.00 C ATOM 468 O ALA A 30 11.155 -5.128 5.610 1.00 0.00 O ATOM 469 CB ALA A 30 11.708 -2.181 4.274 1.00 0.00 C ATOM 0 H ALA A 30 9.410 -1.781 3.518 1.00 0.00 H new ATOM 0 HA ALA A 30 11.121 -4.001 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.658 -2.582 4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.864 -1.655 3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.309 -1.488 5.014 1.00 0.00 H new ATOM 475 N THR A 31 9.652 -3.563 6.192 1.00 0.00 N ATOM 476 CA THR A 31 9.334 -4.182 7.435 1.00 0.00 C ATOM 477 C THR A 31 8.555 -5.486 7.197 1.00 0.00 C ATOM 478 O THR A 31 8.851 -6.493 7.814 1.00 0.00 O ATOM 479 CB THR A 31 8.570 -3.207 8.351 1.00 0.00 C ATOM 480 OG1 THR A 31 9.379 -2.022 8.530 1.00 0.00 O ATOM 481 CG2 THR A 31 8.298 -3.830 9.713 1.00 0.00 C ATOM 0 H THR A 31 9.142 -2.698 6.011 1.00 0.00 H new ATOM 0 HA THR A 31 10.259 -4.442 7.949 1.00 0.00 H new ATOM 0 HB THR A 31 7.613 -2.964 7.888 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.192 -1.386 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.758 -3.118 10.337 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.698 -4.731 9.588 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.243 -4.087 10.191 1.00 0.00 H new ATOM 489 N ILE A 32 7.609 -5.470 6.259 1.00 0.00 N ATOM 490 CA ILE A 32 6.848 -6.676 5.918 1.00 0.00 C ATOM 491 C ILE A 32 7.805 -7.763 5.422 1.00 0.00 C ATOM 492 O ILE A 32 7.737 -8.909 5.874 1.00 0.00 O ATOM 493 CB ILE A 32 5.754 -6.410 4.832 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.772 -5.318 5.284 1.00 0.00 C ATOM 495 CG2 ILE A 32 4.991 -7.695 4.491 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.041 -5.626 6.574 1.00 0.00 C ATOM 0 H ILE A 32 7.351 -4.641 5.723 1.00 0.00 H new ATOM 0 HA ILE A 32 6.335 -7.001 6.823 1.00 0.00 H new ATOM 0 HB ILE A 32 6.266 -6.061 3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.319 -4.383 5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.038 -5.158 4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.237 -7.480 3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.687 -8.441 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.505 -8.079 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.370 -4.802 6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.463 -6.542 6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.764 -5.755 7.380 1.00 0.00 H new ATOM 508 N GLN A 33 8.720 -7.377 4.527 1.00 0.00 N ATOM 509 CA GLN A 33 9.738 -8.284 3.992 1.00 0.00 C ATOM 510 C GLN A 33 10.503 -8.952 5.127 1.00 0.00 C ATOM 511 O GLN A 33 10.517 -10.182 5.254 1.00 0.00 O ATOM 512 CB GLN A 33 10.746 -7.531 3.114 1.00 0.00 C ATOM 513 CG GLN A 33 10.190 -6.917 1.841 1.00 0.00 C ATOM 514 CD GLN A 33 11.252 -6.118 1.105 1.00 0.00 C ATOM 515 OE1 GLN A 33 12.159 -5.568 1.718 1.00 0.00 O ATOM 516 NE2 GLN A 33 11.163 -6.051 -0.195 1.00 0.00 N ATOM 0 H GLN A 33 8.775 -6.429 4.154 1.00 0.00 H new ATOM 0 HA GLN A 33 9.220 -9.033 3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.196 -6.737 3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.547 -8.219 2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.809 -7.705 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.348 -6.269 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.397 -6.519 -0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.860 -5.531 -0.728 1.00 0.00 H new ATOM 525 N SER A 34 11.079 -8.135 5.978 1.00 0.00 N ATOM 526 CA SER A 34 11.890 -8.612 7.064 1.00 0.00 C ATOM 527 C SER A 34 11.091 -9.402 8.118 1.00 0.00 C ATOM 528 O SER A 34 11.560 -10.428 8.592 1.00 0.00 O ATOM 529 CB SER A 34 12.696 -7.462 7.671 1.00 0.00 C ATOM 530 OG SER A 34 11.870 -6.333 7.941 1.00 0.00 O ATOM 0 H SER A 34 10.996 -7.119 5.933 1.00 0.00 H new ATOM 0 HA SER A 34 12.594 -9.335 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.171 -7.796 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.495 -7.175 6.987 1.00 0.00 H new ATOM 0 HG SER A 34 11.736 -5.821 7.116 1.00 0.00 H new ATOM 536 N GLN A 35 9.871 -8.964 8.436 1.00 0.00 N ATOM 537 CA GLN A 35 9.054 -9.659 9.437 1.00 0.00 C ATOM 538 C GLN A 35 8.576 -11.021 8.942 1.00 0.00 C ATOM 539 O GLN A 35 8.378 -11.940 9.742 1.00 0.00 O ATOM 540 CB GLN A 35 7.863 -8.818 9.928 1.00 0.00 C ATOM 541 CG GLN A 35 8.245 -7.516 10.635 1.00 0.00 C ATOM 542 CD GLN A 35 9.165 -7.713 11.827 1.00 0.00 C ATOM 543 OE1 GLN A 35 9.134 -8.744 12.507 1.00 0.00 O ATOM 544 NE2 GLN A 35 9.980 -6.730 12.102 1.00 0.00 N ATOM 0 H GLN A 35 9.430 -8.143 8.022 1.00 0.00 H new ATOM 0 HA GLN A 35 9.713 -9.818 10.291 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.229 -8.579 9.074 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.265 -9.423 10.610 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.731 -6.853 9.919 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.336 -7.014 10.968 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.982 -5.891 11.521 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.615 -6.801 12.897 1.00 0.00 H new ATOM 553 N ARG A 36 8.376 -11.165 7.632 1.00 0.00 N ATOM 554 CA ARG A 36 7.996 -12.473 7.086 1.00 0.00 C ATOM 555 C ARG A 36 9.247 -13.303 6.867 1.00 0.00 C ATOM 556 O ARG A 36 9.197 -14.526 6.785 1.00 0.00 O ATOM 557 CB ARG A 36 7.241 -12.369 5.742 1.00 0.00 C ATOM 558 CG ARG A 36 6.020 -11.470 5.743 1.00 0.00 C ATOM 559 CD ARG A 36 5.169 -11.652 4.480 1.00 0.00 C ATOM 560 NE ARG A 36 5.933 -11.557 3.211 1.00 0.00 N ATOM 561 CZ ARG A 36 5.367 -11.419 1.992 1.00 0.00 C ATOM 562 NH1 ARG A 36 4.061 -11.189 1.886 1.00 0.00 N ATOM 563 NH2 ARG A 36 6.100 -11.521 0.886 1.00 0.00 N ATOM 0 H ARG A 36 8.467 -10.417 6.944 1.00 0.00 H new ATOM 0 HA ARG A 36 7.326 -12.937 7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.935 -12.008 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.932 -13.370 5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.413 -11.684 6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.336 -10.430 5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.678 -12.624 4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.382 -10.898 4.474 1.00 0.00 H new ATOM 0 HE ARG A 36 6.951 -11.599 3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.486 -11.117 2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.635 -11.085 0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.101 -11.705 0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.661 -11.415 -0.028 1.00 0.00 H new ATOM 577 N GLY A 37 10.367 -12.619 6.759 1.00 0.00 N ATOM 578 CA GLY A 37 11.615 -13.273 6.476 1.00 0.00 C ATOM 579 C GLY A 37 11.723 -13.554 4.998 1.00 0.00 C ATOM 580 O GLY A 37 12.547 -14.354 4.555 1.00 0.00 O ATOM 0 H GLY A 37 10.432 -11.607 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.446 -12.645 6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.683 -14.204 7.038 1.00 0.00 H new ATOM 584 N ASP A 38 10.926 -12.840 4.242 1.00 0.00 N ATOM 585 CA ASP A 38 10.793 -13.038 2.820 1.00 0.00 C ATOM 586 C ASP A 38 11.074 -11.755 2.098 1.00 0.00 C ATOM 587 O ASP A 38 10.380 -10.763 2.298 1.00 0.00 O ATOM 588 CB ASP A 38 9.381 -13.511 2.484 1.00 0.00 C ATOM 589 CG ASP A 38 9.128 -13.580 0.995 1.00 0.00 C ATOM 590 OD1 ASP A 38 9.619 -14.528 0.340 1.00 0.00 O ATOM 591 OD2 ASP A 38 8.434 -12.692 0.459 1.00 0.00 O ATOM 0 H ASP A 38 10.339 -12.089 4.606 1.00 0.00 H new ATOM 0 HA ASP A 38 11.509 -13.797 2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.218 -14.496 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.658 -12.835 2.940 1.00 0.00 H new ATOM 596 N TYR A 39 12.077 -11.758 1.282 1.00 0.00 N ATOM 597 CA TYR A 39 12.440 -10.577 0.572 1.00 0.00 C ATOM 598 C TYR A 39 11.848 -10.637 -0.825 1.00 0.00 C ATOM 599 O TYR A 39 12.301 -11.408 -1.677 1.00 0.00 O ATOM 600 CB TYR A 39 13.965 -10.428 0.511 1.00 0.00 C ATOM 601 CG TYR A 39 14.435 -9.035 0.148 1.00 0.00 C ATOM 602 CD1 TYR A 39 14.500 -8.603 -1.173 1.00 0.00 C ATOM 603 CD2 TYR A 39 14.808 -8.147 1.142 1.00 0.00 C ATOM 604 CE1 TYR A 39 14.923 -7.325 -1.484 1.00 0.00 C ATOM 605 CE2 TYR A 39 15.231 -6.876 0.843 1.00 0.00 C ATOM 606 CZ TYR A 39 15.286 -6.465 -0.470 1.00 0.00 C ATOM 607 OH TYR A 39 15.706 -5.182 -0.770 1.00 0.00 O ATOM 0 H TYR A 39 12.662 -12.571 1.090 1.00 0.00 H new ATOM 0 HA TYR A 39 12.045 -9.705 1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.385 -10.701 1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.360 -11.135 -0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.215 -9.277 -1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.765 -8.461 2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.969 -7.002 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 39 15.520 -6.201 1.635 1.00 0.00 H new ATOM 0 HH TYR A 39 15.923 -4.707 0.059 1.00 0.00 H new ATOM 617 N ASN A 40 10.817 -9.884 -1.036 1.00 0.00 N ATOM 618 CA ASN A 40 10.184 -9.788 -2.328 1.00 0.00 C ATOM 619 C ASN A 40 10.082 -8.322 -2.658 1.00 0.00 C ATOM 620 O ASN A 40 9.502 -7.553 -1.891 1.00 0.00 O ATOM 621 CB ASN A 40 8.784 -10.436 -2.309 1.00 0.00 C ATOM 622 CG ASN A 40 8.128 -10.560 -3.696 1.00 0.00 C ATOM 623 OD1 ASN A 40 8.374 -9.764 -4.617 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.291 -11.557 -3.851 1.00 0.00 N ATOM 0 H ASN A 40 10.380 -9.310 -0.315 1.00 0.00 H new ATOM 0 HA ASN A 40 10.769 -10.319 -3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.861 -11.429 -1.866 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.132 -9.848 -1.662 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.822 -11.695 -4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.109 -12.195 -3.076 1.00 0.00 H new ATOM 631 N GLY A 41 10.699 -7.925 -3.736 1.00 0.00 N ATOM 632 CA GLY A 41 10.686 -6.543 -4.136 1.00 0.00 C ATOM 633 C GLY A 41 9.919 -6.322 -5.417 1.00 0.00 C ATOM 634 O GLY A 41 10.085 -5.297 -6.078 1.00 0.00 O ATOM 0 H GLY A 41 11.221 -8.543 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.243 -5.942 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.711 -6.195 -4.265 1.00 0.00 H new ATOM 638 N LYS A 42 9.115 -7.290 -5.802 1.00 0.00 N ATOM 639 CA LYS A 42 8.302 -7.155 -6.999 1.00 0.00 C ATOM 640 C LYS A 42 6.893 -6.775 -6.623 1.00 0.00 C ATOM 641 O LYS A 42 6.398 -5.705 -6.994 1.00 0.00 O ATOM 642 CB LYS A 42 8.284 -8.432 -7.881 1.00 0.00 C ATOM 643 CG LYS A 42 9.595 -8.775 -8.595 1.00 0.00 C ATOM 644 CD LYS A 42 10.675 -9.245 -7.640 1.00 0.00 C ATOM 645 CE LYS A 42 11.972 -9.548 -8.366 1.00 0.00 C ATOM 646 NZ LYS A 42 11.822 -10.632 -9.365 1.00 0.00 N ATOM 0 H LYS A 42 9.005 -8.176 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 42 8.761 -6.368 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.003 -9.278 -7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.503 -8.319 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.408 -9.552 -9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.950 -7.898 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.851 -8.479 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.334 -10.138 -7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.325 -8.645 -8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.734 -9.830 -7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.760 -10.918 -9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.352 -11.448 -8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.248 -10.292 -10.163 1.00 0.00 H new ATOM 660 N VAL A 43 6.263 -7.632 -5.867 1.00 0.00 N ATOM 661 CA VAL A 43 4.905 -7.434 -5.431 1.00 0.00 C ATOM 662 C VAL A 43 4.812 -7.794 -3.976 1.00 0.00 C ATOM 663 O VAL A 43 5.608 -8.587 -3.479 1.00 0.00 O ATOM 664 CB VAL A 43 3.871 -8.289 -6.243 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.808 -7.853 -7.694 1.00 0.00 C ATOM 666 CG2 VAL A 43 4.194 -9.778 -6.158 1.00 0.00 C ATOM 0 H VAL A 43 6.682 -8.499 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 43 4.653 -6.387 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 43 2.893 -8.120 -5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.082 -8.467 -8.227 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.507 -6.807 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.790 -7.972 -8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.459 -10.343 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.189 -9.958 -6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.165 -10.098 -5.116 1.00 0.00 H new ATOM 676 N LEU A 44 3.895 -7.208 -3.296 1.00 0.00 N ATOM 677 CA LEU A 44 3.703 -7.515 -1.925 1.00 0.00 C ATOM 678 C LEU A 44 2.228 -7.699 -1.670 1.00 0.00 C ATOM 679 O LEU A 44 1.443 -6.762 -1.818 1.00 0.00 O ATOM 680 CB LEU A 44 4.266 -6.385 -1.056 1.00 0.00 C ATOM 681 CG LEU A 44 4.330 -6.646 0.448 1.00 0.00 C ATOM 682 CD1 LEU A 44 5.278 -7.798 0.752 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.759 -5.389 1.182 1.00 0.00 C ATOM 0 H LEU A 44 3.259 -6.505 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 44 4.229 -8.435 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.273 -6.156 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.661 -5.494 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 44 3.335 -6.925 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.310 -7.969 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.926 -8.700 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.277 -7.551 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.800 -5.589 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.744 -5.082 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.041 -4.592 0.989 1.00 0.00 H new ATOM 695 N SER A 45 1.848 -8.894 -1.350 1.00 0.00 N ATOM 696 CA SER A 45 0.492 -9.183 -1.019 1.00 0.00 C ATOM 697 C SER A 45 0.291 -9.090 0.487 1.00 0.00 C ATOM 698 O SER A 45 0.786 -9.925 1.267 1.00 0.00 O ATOM 699 CB SER A 45 0.058 -10.525 -1.626 1.00 0.00 C ATOM 700 OG SER A 45 1.076 -11.523 -1.503 1.00 0.00 O ATOM 0 H SER A 45 2.473 -9.699 -1.311 1.00 0.00 H new ATOM 0 HA SER A 45 -0.166 -8.435 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.850 -10.870 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.187 -10.385 -2.679 1.00 0.00 H new ATOM 0 HG SER A 45 0.761 -12.362 -1.899 1.00 0.00 H new ATOM 706 N ILE A 46 -0.381 -8.047 0.884 1.00 0.00 N ATOM 707 CA ILE A 46 -0.596 -7.736 2.261 1.00 0.00 C ATOM 708 C ILE A 46 -2.018 -8.077 2.674 1.00 0.00 C ATOM 709 O ILE A 46 -2.830 -8.564 1.860 1.00 0.00 O ATOM 710 CB ILE A 46 -0.312 -6.235 2.564 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.236 -5.314 1.733 1.00 0.00 C ATOM 712 CG2 ILE A 46 1.159 -5.907 2.320 1.00 0.00 C ATOM 713 CD1 ILE A 46 -1.074 -3.833 2.014 1.00 0.00 C ATOM 0 H ILE A 46 -0.803 -7.376 0.241 1.00 0.00 H new ATOM 0 HA ILE A 46 0.103 -8.341 2.838 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.529 -6.054 3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.047 -5.492 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.272 -5.595 1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.338 -4.854 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.782 -6.522 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.409 -6.110 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.761 -3.266 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.294 -3.636 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.050 -3.531 1.795 1.00 0.00 H new ATOM 725 N ARG A 47 -2.310 -7.819 3.914 1.00 0.00 N ATOM 726 CA ARG A 47 -3.584 -8.099 4.497 1.00 0.00 C ATOM 727 C ARG A 47 -4.416 -6.857 4.577 1.00 0.00 C ATOM 728 O ARG A 47 -3.919 -5.738 4.420 1.00 0.00 O ATOM 729 CB ARG A 47 -3.367 -8.565 5.890 1.00 0.00 C ATOM 730 CG ARG A 47 -2.486 -9.766 6.004 1.00 0.00 C ATOM 731 CD ARG A 47 -2.096 -9.900 7.417 1.00 0.00 C ATOM 732 NE ARG A 47 -1.366 -8.689 7.849 1.00 0.00 N ATOM 733 CZ ARG A 47 -1.270 -8.224 9.092 1.00 0.00 C ATOM 734 NH1 ARG A 47 -1.810 -8.894 10.100 1.00 0.00 N ATOM 735 NH2 ARG A 47 -0.630 -7.083 9.310 1.00 0.00 N ATOM 0 H ARG A 47 -1.648 -7.396 4.565 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.090 -8.846 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.930 -7.752 6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.333 -8.793 6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.011 -10.659 5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.605 -9.656 5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.981 -10.043 8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.468 -10.781 7.549 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.888 -8.157 7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.302 -9.770 9.925 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.734 -8.533 11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.218 -6.572 8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.550 -6.716 10.258 1.00 0.00 H new ATOM 749 N GLN A 48 -5.667 -7.062 4.887 1.00 0.00 N ATOM 750 CA GLN A 48 -6.633 -6.000 5.118 1.00 0.00 C ATOM 751 C GLN A 48 -6.188 -5.113 6.302 1.00 0.00 C ATOM 752 O GLN A 48 -6.457 -3.915 6.337 1.00 0.00 O ATOM 753 CB GLN A 48 -7.992 -6.649 5.385 1.00 0.00 C ATOM 754 CG GLN A 48 -7.970 -7.656 6.543 1.00 0.00 C ATOM 755 CD GLN A 48 -9.222 -8.491 6.648 1.00 0.00 C ATOM 756 OE1 GLN A 48 -9.809 -8.816 5.533 1.00 0.00 O flip ATOM 757 NE2 GLN A 48 -9.621 -8.889 7.731 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.063 -7.996 4.991 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.704 -5.352 4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.722 -5.870 5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.329 -7.155 4.480 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.113 -8.318 6.420 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.825 -7.116 7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.136 -8.614 8.585 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.439 -9.496 7.781 1.00 0.00 H new ATOM 766 N ASP A 49 -5.474 -5.723 7.245 1.00 0.00 N ATOM 767 CA ASP A 49 -4.950 -5.024 8.417 1.00 0.00 C ATOM 768 C ASP A 49 -3.797 -4.124 8.038 1.00 0.00 C ATOM 769 O ASP A 49 -3.610 -3.055 8.619 1.00 0.00 O ATOM 770 CB ASP A 49 -4.484 -6.021 9.477 1.00 0.00 C ATOM 771 CG ASP A 49 -3.848 -5.341 10.676 1.00 0.00 C ATOM 772 OD1 ASP A 49 -4.552 -4.654 11.414 1.00 0.00 O ATOM 773 OD2 ASP A 49 -2.620 -5.482 10.890 1.00 0.00 O ATOM 0 H ASP A 49 -5.242 -6.716 7.219 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.757 -4.416 8.825 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.334 -6.616 9.810 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.767 -6.711 9.032 1.00 0.00 H new ATOM 778 N ASP A 50 -3.063 -4.527 7.025 1.00 0.00 N ATOM 779 CA ASP A 50 -1.889 -3.785 6.600 1.00 0.00 C ATOM 780 C ASP A 50 -2.284 -2.483 5.964 1.00 0.00 C ATOM 781 O ASP A 50 -1.761 -1.429 6.321 1.00 0.00 O ATOM 782 CB ASP A 50 -1.000 -4.595 5.655 1.00 0.00 C ATOM 783 CG ASP A 50 -0.325 -5.772 6.323 1.00 0.00 C ATOM 784 OD1 ASP A 50 0.465 -5.576 7.278 1.00 0.00 O ATOM 785 OD2 ASP A 50 -0.565 -6.933 5.917 1.00 0.00 O ATOM 0 H ASP A 50 -3.256 -5.365 6.477 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.303 -3.577 7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.603 -4.957 4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.237 -3.939 5.235 1.00 0.00 H new ATOM 790 N LEU A 51 -3.253 -2.543 5.055 1.00 0.00 N ATOM 791 CA LEU A 51 -3.741 -1.330 4.386 1.00 0.00 C ATOM 792 C LEU A 51 -4.369 -0.383 5.420 1.00 0.00 C ATOM 793 O LEU A 51 -4.224 0.839 5.344 1.00 0.00 O ATOM 794 CB LEU A 51 -4.769 -1.683 3.304 1.00 0.00 C ATOM 795 CG LEU A 51 -5.194 -0.541 2.365 1.00 0.00 C ATOM 796 CD1 LEU A 51 -4.027 -0.092 1.501 1.00 0.00 C ATOM 797 CD2 LEU A 51 -6.368 -0.950 1.494 1.00 0.00 C ATOM 0 H LEU A 51 -3.714 -3.405 4.764 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.897 -0.833 3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.362 -2.491 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.661 -2.072 3.795 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.510 0.296 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.350 0.716 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.216 0.260 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.676 -0.930 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.644 -0.121 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.088 -1.811 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.216 -1.212 2.126 1.00 0.00 H new ATOM 809 N ARG A 52 -5.027 -0.978 6.406 1.00 0.00 N ATOM 810 CA ARG A 52 -5.652 -0.243 7.494 1.00 0.00 C ATOM 811 C ARG A 52 -4.584 0.485 8.322 1.00 0.00 C ATOM 812 O ARG A 52 -4.732 1.660 8.648 1.00 0.00 O ATOM 813 CB ARG A 52 -6.428 -1.212 8.380 1.00 0.00 C ATOM 814 CG ARG A 52 -7.204 -0.565 9.509 1.00 0.00 C ATOM 815 CD ARG A 52 -7.847 -1.621 10.375 1.00 0.00 C ATOM 816 NE ARG A 52 -8.665 -1.049 11.447 1.00 0.00 N ATOM 817 CZ ARG A 52 -9.493 -1.755 12.223 1.00 0.00 C ATOM 818 NH1 ARG A 52 -9.517 -3.081 12.143 1.00 0.00 N ATOM 819 NH2 ARG A 52 -10.250 -1.139 13.114 1.00 0.00 N ATOM 0 H ARG A 52 -5.142 -1.989 6.473 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.337 0.497 7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.123 -1.774 7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.729 -1.932 8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.537 0.052 10.111 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.969 0.096 9.102 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.468 -2.266 9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.071 -2.250 10.811 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.598 -0.045 11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.902 -3.564 11.488 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.150 -3.616 12.737 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.202 -0.125 13.210 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.882 -1.678 13.706 1.00 0.00 H new ATOM 833 N THR A 53 -3.500 -0.220 8.622 1.00 0.00 N ATOM 834 CA THR A 53 -2.401 0.336 9.382 1.00 0.00 C ATOM 835 C THR A 53 -1.763 1.508 8.610 1.00 0.00 C ATOM 836 O THR A 53 -1.427 2.539 9.200 1.00 0.00 O ATOM 837 CB THR A 53 -1.345 -0.758 9.715 1.00 0.00 C ATOM 838 OG1 THR A 53 -1.985 -1.833 10.446 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.213 -0.191 10.568 1.00 0.00 C ATOM 0 H THR A 53 -3.364 -1.192 8.343 1.00 0.00 H new ATOM 0 HA THR A 53 -2.788 0.716 10.327 1.00 0.00 H new ATOM 0 HB THR A 53 -0.927 -1.125 8.778 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.591 -2.320 9.849 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.509 -0.978 10.784 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.281 0.616 10.027 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.620 0.195 11.503 1.00 0.00 H new ATOM 847 N LEU A 54 -1.661 1.361 7.283 1.00 0.00 N ATOM 848 CA LEU A 54 -1.124 2.413 6.412 1.00 0.00 C ATOM 849 C LEU A 54 -1.909 3.706 6.565 1.00 0.00 C ATOM 850 O LEU A 54 -1.321 4.793 6.711 1.00 0.00 O ATOM 851 CB LEU A 54 -1.144 1.974 4.946 1.00 0.00 C ATOM 852 CG LEU A 54 -0.273 0.779 4.593 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.382 0.453 3.115 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.163 1.051 4.969 1.00 0.00 C ATOM 0 H LEU A 54 -1.946 0.517 6.787 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.092 2.590 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.173 1.741 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.833 2.818 4.331 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.625 -0.084 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.249 -0.405 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.418 0.218 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.056 1.312 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.776 0.188 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.522 1.926 4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.230 1.236 6.041 1.00 0.00 H new ATOM 866 N ALA A 55 -3.229 3.577 6.578 1.00 0.00 N ATOM 867 CA ALA A 55 -4.135 4.707 6.731 1.00 0.00 C ATOM 868 C ALA A 55 -3.861 5.454 8.030 1.00 0.00 C ATOM 869 O ALA A 55 -3.915 6.678 8.076 1.00 0.00 O ATOM 870 CB ALA A 55 -5.581 4.229 6.680 1.00 0.00 C ATOM 0 H ALA A 55 -3.704 2.679 6.482 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.965 5.399 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.250 5.082 6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.771 3.746 5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.758 3.517 7.487 1.00 0.00 H new ATOM 876 N VAL A 56 -3.490 4.716 9.054 1.00 0.00 N ATOM 877 CA VAL A 56 -3.216 5.288 10.353 1.00 0.00 C ATOM 878 C VAL A 56 -1.886 6.044 10.320 1.00 0.00 C ATOM 879 O VAL A 56 -1.779 7.147 10.855 1.00 0.00 O ATOM 880 CB VAL A 56 -3.180 4.192 11.460 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.880 4.793 12.827 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.496 3.432 11.502 1.00 0.00 C ATOM 0 H VAL A 56 -3.370 3.704 9.009 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.022 5.982 10.593 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.377 3.498 11.211 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.862 4.002 13.576 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.910 5.290 12.801 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.653 5.518 13.083 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.452 2.671 12.281 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.310 4.125 11.717 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.671 2.955 10.538 1.00 0.00 H new ATOM 892 N ILE A 57 -0.893 5.461 9.651 1.00 0.00 N ATOM 893 CA ILE A 57 0.452 6.054 9.564 1.00 0.00 C ATOM 894 C ILE A 57 0.401 7.397 8.845 1.00 0.00 C ATOM 895 O ILE A 57 0.876 8.418 9.360 1.00 0.00 O ATOM 896 CB ILE A 57 1.455 5.147 8.786 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.441 3.721 9.332 1.00 0.00 C ATOM 898 CG2 ILE A 57 2.874 5.735 8.865 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.370 2.768 8.602 1.00 0.00 C ATOM 0 H ILE A 57 -0.990 4.574 9.157 1.00 0.00 H new ATOM 0 HA ILE A 57 0.795 6.170 10.592 1.00 0.00 H new ATOM 0 HB ILE A 57 1.144 5.113 7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.717 3.744 10.386 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.424 3.333 9.278 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.565 5.093 8.318 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.880 6.732 8.425 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.185 5.797 9.908 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.301 1.777 9.051 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.082 2.712 7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.395 3.130 8.678 1.00 0.00 H new ATOM 911 N TYR A 58 -0.219 7.406 7.679 1.00 0.00 N ATOM 912 CA TYR A 58 -0.226 8.604 6.838 1.00 0.00 C ATOM 913 C TYR A 58 -1.327 9.553 7.279 1.00 0.00 C ATOM 914 O TYR A 58 -1.381 10.709 6.848 1.00 0.00 O ATOM 915 CB TYR A 58 -0.398 8.232 5.351 1.00 0.00 C ATOM 916 CG TYR A 58 0.463 7.057 4.901 1.00 0.00 C ATOM 917 CD1 TYR A 58 1.788 6.916 5.313 1.00 0.00 C ATOM 918 CD2 TYR A 58 -0.075 6.061 4.104 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.535 5.819 4.930 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.669 4.964 3.729 1.00 0.00 C ATOM 921 CZ TYR A 58 1.971 4.852 4.148 1.00 0.00 C ATOM 922 OH TYR A 58 2.708 3.763 3.792 1.00 0.00 O ATOM 0 H TYR A 58 -0.722 6.609 7.290 1.00 0.00 H new ATOM 0 HA TYR A 58 0.735 9.106 6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.445 7.993 5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.156 9.101 4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.235 7.674 5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.098 6.146 3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.563 5.726 5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.230 4.196 3.109 1.00 0.00 H new ATOM 0 HH TYR A 58 3.089 3.349 4.595 1.00 0.00 H new ATOM 932 N ASP A 59 -2.182 9.042 8.156 1.00 0.00 N ATOM 933 CA ASP A 59 -3.313 9.762 8.733 1.00 0.00 C ATOM 934 C ASP A 59 -4.299 10.150 7.641 1.00 0.00 C ATOM 935 O ASP A 59 -4.555 11.326 7.375 1.00 0.00 O ATOM 936 CB ASP A 59 -2.856 10.975 9.571 1.00 0.00 C ATOM 937 CG ASP A 59 -3.969 11.585 10.393 1.00 0.00 C ATOM 938 OD1 ASP A 59 -4.357 10.985 11.428 1.00 0.00 O ATOM 939 OD2 ASP A 59 -4.446 12.689 10.063 1.00 0.00 O ATOM 0 H ASP A 59 -2.106 8.084 8.497 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.827 9.096 9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.050 10.666 10.236 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.447 11.735 8.905 1.00 0.00 H new ATOM 944 N GLN A 60 -4.784 9.138 6.967 1.00 0.00 N ATOM 945 CA GLN A 60 -5.736 9.286 5.896 1.00 0.00 C ATOM 946 C GLN A 60 -6.887 8.347 6.127 1.00 0.00 C ATOM 947 O GLN A 60 -6.713 7.274 6.707 1.00 0.00 O ATOM 948 CB GLN A 60 -5.115 9.010 4.511 1.00 0.00 C ATOM 949 CG GLN A 60 -4.092 10.038 4.040 1.00 0.00 C ATOM 950 CD GLN A 60 -3.623 9.791 2.608 1.00 0.00 C ATOM 951 OE1 GLN A 60 -3.557 8.656 2.137 1.00 0.00 O ATOM 952 NE2 GLN A 60 -3.293 10.842 1.906 1.00 0.00 N ATOM 0 H GLN A 60 -4.523 8.169 7.151 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.076 10.322 5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.638 8.030 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.917 8.957 3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.527 11.035 4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.231 10.020 4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.357 11.772 2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.972 10.733 0.944 1.00 0.00 H new ATOM 961 N SER A 61 -8.049 8.751 5.703 1.00 0.00 N ATOM 962 CA SER A 61 -9.226 7.946 5.827 1.00 0.00 C ATOM 963 C SER A 61 -9.130 6.743 4.875 1.00 0.00 C ATOM 964 O SER A 61 -8.626 6.886 3.754 1.00 0.00 O ATOM 965 CB SER A 61 -10.423 8.806 5.491 1.00 0.00 C ATOM 966 OG SER A 61 -10.387 10.009 6.240 1.00 0.00 O ATOM 0 H SER A 61 -8.206 9.655 5.258 1.00 0.00 H new ATOM 0 HA SER A 61 -9.328 7.564 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.429 9.033 4.425 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.343 8.262 5.707 1.00 0.00 H new ATOM 0 HG SER A 61 -11.166 10.559 6.013 1.00 0.00 H new ATOM 972 N PRO A 62 -9.614 5.552 5.312 1.00 0.00 N ATOM 973 CA PRO A 62 -9.534 4.296 4.542 1.00 0.00 C ATOM 974 C PRO A 62 -9.886 4.437 3.054 1.00 0.00 C ATOM 975 O PRO A 62 -9.157 3.943 2.205 1.00 0.00 O ATOM 976 CB PRO A 62 -10.543 3.394 5.245 1.00 0.00 C ATOM 977 CG PRO A 62 -10.504 3.841 6.663 1.00 0.00 C ATOM 978 CD PRO A 62 -10.259 5.328 6.631 1.00 0.00 C ATOM 0 HA PRO A 62 -8.513 3.916 4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.540 3.505 4.820 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.271 2.343 5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.442 3.612 7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.713 3.328 7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -11.189 5.889 6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.614 5.645 7.451 1.00 0.00 H new ATOM 986 N SER A 63 -10.970 5.142 2.750 1.00 0.00 N ATOM 987 CA SER A 63 -11.411 5.304 1.376 1.00 0.00 C ATOM 988 C SER A 63 -10.363 6.052 0.547 1.00 0.00 C ATOM 989 O SER A 63 -9.837 5.500 -0.416 1.00 0.00 O ATOM 990 CB SER A 63 -12.767 6.025 1.328 1.00 0.00 C ATOM 991 OG SER A 63 -13.242 6.187 0.003 1.00 0.00 O ATOM 0 H SER A 63 -11.558 5.610 3.440 1.00 0.00 H new ATOM 0 HA SER A 63 -11.535 4.313 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.497 5.460 1.907 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.673 7.003 1.800 1.00 0.00 H new ATOM 0 HG SER A 63 -14.107 6.648 0.020 1.00 0.00 H new ATOM 997 N VAL A 64 -9.996 7.263 0.979 1.00 0.00 N ATOM 998 CA VAL A 64 -9.049 8.082 0.215 1.00 0.00 C ATOM 999 C VAL A 64 -7.663 7.446 0.162 1.00 0.00 C ATOM 1000 O VAL A 64 -6.978 7.540 -0.847 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.960 9.557 0.710 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -10.299 10.255 0.585 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -8.457 9.643 2.137 1.00 0.00 C ATOM 0 H VAL A 64 -10.334 7.693 1.840 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.452 8.118 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.239 10.065 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.208 11.282 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.613 10.256 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.041 9.730 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.410 10.688 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.137 9.102 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.463 9.201 2.200 1.00 0.00 H new ATOM 1013 N LEU A 65 -7.285 6.761 1.238 1.00 0.00 N ATOM 1014 CA LEU A 65 -6.016 6.051 1.310 1.00 0.00 C ATOM 1015 C LEU A 65 -5.981 4.972 0.230 1.00 0.00 C ATOM 1016 O LEU A 65 -5.009 4.855 -0.523 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.834 5.462 2.743 1.00 0.00 C ATOM 1018 CG LEU A 65 -4.533 4.680 3.090 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.520 3.277 2.514 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.300 5.442 2.647 1.00 0.00 C ATOM 0 H LEU A 65 -7.851 6.684 2.083 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.183 6.730 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.917 6.288 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.676 4.796 2.932 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.517 4.583 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.589 2.780 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.364 2.713 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.598 3.329 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.408 4.871 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.335 5.596 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.269 6.408 3.151 1.00 0.00 H new ATOM 1032 N THR A 66 -7.058 4.224 0.130 1.00 0.00 N ATOM 1033 CA THR A 66 -7.165 3.184 -0.852 1.00 0.00 C ATOM 1034 C THR A 66 -7.194 3.804 -2.264 1.00 0.00 C ATOM 1035 O THR A 66 -6.548 3.290 -3.186 1.00 0.00 O ATOM 1036 CB THR A 66 -8.419 2.310 -0.595 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.398 1.857 0.769 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.430 1.090 -1.502 1.00 0.00 C ATOM 0 H THR A 66 -7.878 4.324 0.728 1.00 0.00 H new ATOM 0 HA THR A 66 -6.294 2.533 -0.777 1.00 0.00 H new ATOM 0 HB THR A 66 -9.305 2.911 -0.797 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.861 2.508 1.337 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.321 0.495 -1.300 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.436 1.411 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.541 0.488 -1.313 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.877 4.965 -2.397 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.973 5.680 -3.672 1.00 0.00 C ATOM 1048 C GLU A 67 -6.591 6.016 -4.193 1.00 0.00 C ATOM 1049 O GLU A 67 -6.303 5.813 -5.376 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.799 6.975 -3.571 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.264 6.789 -3.221 1.00 0.00 C ATOM 1052 CD GLU A 67 -11.055 8.068 -3.391 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.335 8.435 -4.561 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -11.439 8.728 -2.389 1.00 0.00 O ATOM 0 H GLU A 67 -8.368 5.420 -1.628 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.487 5.010 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.343 7.619 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.735 7.502 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.692 6.011 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.349 6.444 -2.190 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.738 6.513 -3.295 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.358 6.861 -3.605 1.00 0.00 C ATOM 1063 C GLN A 68 -3.650 5.656 -4.247 1.00 0.00 C ATOM 1064 O GLN A 68 -3.235 5.708 -5.405 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.614 7.250 -2.315 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.114 8.492 -1.548 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.654 9.858 -2.086 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -3.470 10.807 -1.303 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -3.495 10.011 -3.377 1.00 0.00 N ATOM 0 H GLN A 68 -5.993 6.685 -2.323 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.354 7.703 -4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.652 6.398 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.566 7.411 -2.567 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.204 8.476 -1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.790 8.406 -0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.649 9.224 -4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.217 10.918 -3.753 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.598 4.557 -3.506 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.927 3.328 -3.938 1.00 0.00 C ATOM 1080 C LEU A 69 -3.472 2.779 -5.267 1.00 0.00 C ATOM 1081 O LEU A 69 -2.692 2.328 -6.131 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.991 2.250 -2.840 1.00 0.00 C ATOM 1083 CG LEU A 69 -1.972 2.322 -1.679 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.560 2.128 -2.194 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -2.075 3.620 -0.889 1.00 0.00 C ATOM 0 H LEU A 69 -4.022 4.488 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.885 3.594 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.991 2.277 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.878 1.279 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.218 1.510 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.142 2.182 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.479 1.153 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.326 2.909 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.337 3.617 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.887 4.465 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.074 3.708 -0.463 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.788 2.827 -5.436 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.437 2.355 -6.661 1.00 0.00 C ATOM 1099 C ILE A 70 -5.068 3.250 -7.850 1.00 0.00 C ATOM 1100 O ILE A 70 -4.766 2.761 -8.945 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.990 2.305 -6.503 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.383 1.301 -5.421 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.668 1.936 -7.826 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.859 1.334 -5.068 1.00 0.00 C ATOM 0 H ILE A 70 -5.434 3.191 -4.736 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.078 1.343 -6.849 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.328 3.299 -6.209 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.121 0.297 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.799 1.500 -4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.749 1.909 -7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.419 2.680 -8.582 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.320 0.956 -8.152 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.064 0.595 -4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.124 2.326 -4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.450 1.105 -5.954 1.00 0.00 H new ATOM 1116 N SER A 71 -5.053 4.548 -7.620 1.00 0.00 N ATOM 1117 CA SER A 71 -4.765 5.518 -8.661 1.00 0.00 C ATOM 1118 C SER A 71 -3.303 5.463 -9.085 1.00 0.00 C ATOM 1119 O SER A 71 -2.984 5.675 -10.258 1.00 0.00 O ATOM 1120 CB SER A 71 -5.146 6.912 -8.195 1.00 0.00 C ATOM 1121 OG SER A 71 -6.508 6.926 -7.780 1.00 0.00 O ATOM 0 H SER A 71 -5.240 4.961 -6.706 1.00 0.00 H new ATOM 0 HA SER A 71 -5.364 5.267 -9.536 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.502 7.219 -7.371 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.995 7.629 -9.002 1.00 0.00 H new ATOM 0 HG SER A 71 -6.582 6.532 -6.886 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.415 5.147 -8.143 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.997 5.006 -8.468 1.00 0.00 C ATOM 1129 C TRP A 72 -0.772 3.722 -9.260 1.00 0.00 C ATOM 1130 O TRP A 72 0.255 3.553 -9.906 1.00 0.00 O ATOM 1131 CB TRP A 72 -0.133 4.933 -7.209 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.191 6.114 -6.290 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.572 7.390 -6.581 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.198 6.114 -4.917 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.471 8.169 -5.455 1.00 0.00 N ATOM 1136 CE2 TRP A 72 0.009 7.413 -4.428 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.682 5.132 -4.059 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.289 7.761 -3.108 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.965 5.472 -2.751 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.768 6.777 -2.286 1.00 0.00 C ATOM 0 H TRP A 72 -2.648 4.986 -7.163 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.712 5.883 -9.050 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.426 4.047 -6.645 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.903 4.789 -7.514 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.903 7.735 -7.549 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.716 9.157 -5.396 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.834 4.122 -4.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.134 8.767 -2.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.344 4.719 -2.076 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.999 7.013 -1.258 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.740 2.826 -9.203 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.647 1.574 -9.912 1.00 0.00 C ATOM 1153 C GLY A 73 -0.860 0.559 -9.133 1.00 0.00 C ATOM 1154 O GLY A 73 -0.475 -0.471 -9.655 1.00 0.00 O ATOM 0 H GLY A 73 -2.601 2.948 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.648 1.189 -10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.175 1.737 -10.881 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.622 0.862 -7.879 1.00 0.00 N ATOM 1159 CA VAL A 74 0.129 -0.015 -7.010 1.00 0.00 C ATOM 1160 C VAL A 74 -0.810 -1.072 -6.453 1.00 0.00 C ATOM 1161 O VAL A 74 -0.458 -2.246 -6.349 1.00 0.00 O ATOM 1162 CB VAL A 74 0.798 0.780 -5.849 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.602 -0.132 -4.936 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.688 1.878 -6.403 1.00 0.00 C ATOM 0 H VAL A 74 -0.942 1.721 -7.432 1.00 0.00 H new ATOM 0 HA VAL A 74 0.925 -0.489 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 74 0.001 1.230 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.054 0.458 -4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.944 -0.885 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.386 -0.624 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.148 2.424 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.467 1.436 -7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.090 2.563 -7.003 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.001 -0.642 -6.144 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.032 -1.489 -5.626 1.00 0.00 C ATOM 1176 C LEU A 75 -4.153 -1.435 -6.634 1.00 0.00 C ATOM 1177 O LEU A 75 -4.238 -0.456 -7.392 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.484 -0.923 -4.282 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.514 -1.708 -3.475 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -3.990 -3.088 -3.108 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -4.874 -0.926 -2.224 1.00 0.00 C ATOM 0 H LEU A 75 -2.286 0.332 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.704 -2.517 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.598 -0.799 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.890 0.073 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.406 -1.847 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.746 -3.623 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.763 -3.645 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.084 -2.986 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.610 -1.484 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.979 -0.772 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.292 0.040 -2.507 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.994 -2.430 -6.682 1.00 0.00 N ATOM 1194 CA ASP A 76 -6.036 -2.411 -7.678 1.00 0.00 C ATOM 1195 C ASP A 76 -7.383 -2.097 -7.015 1.00 0.00 C ATOM 1196 O ASP A 76 -7.470 -2.030 -5.782 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.070 -3.716 -8.480 1.00 0.00 C ATOM 1198 CG ASP A 76 -6.689 -3.524 -9.847 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -7.914 -3.494 -9.960 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -5.949 -3.366 -10.840 1.00 0.00 O ATOM 0 H ASP A 76 -4.985 -3.242 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.823 -1.620 -8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.056 -4.100 -8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.636 -4.466 -7.928 1.00 0.00 H new ATOM 1205 N ALA A 77 -8.422 -1.946 -7.816 1.00 0.00 N ATOM 1206 CA ALA A 77 -9.720 -1.465 -7.365 1.00 0.00 C ATOM 1207 C ALA A 77 -10.374 -2.367 -6.327 1.00 0.00 C ATOM 1208 O ALA A 77 -10.899 -1.888 -5.351 1.00 0.00 O ATOM 1209 CB ALA A 77 -10.643 -1.237 -8.543 1.00 0.00 C ATOM 0 H ALA A 77 -8.390 -2.157 -8.814 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.538 -0.514 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.608 -0.878 -8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.205 -0.495 -9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.782 -2.174 -9.083 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.305 -3.664 -6.544 1.00 0.00 N ATOM 1216 CA ASP A 78 -10.886 -4.714 -5.654 1.00 0.00 C ATOM 1217 C ASP A 78 -10.567 -4.520 -4.169 1.00 0.00 C ATOM 1218 O ASP A 78 -11.342 -4.942 -3.312 1.00 0.00 O ATOM 1219 CB ASP A 78 -10.451 -6.128 -6.081 1.00 0.00 C ATOM 1220 CG ASP A 78 -8.950 -6.353 -6.021 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -8.417 -6.728 -4.948 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -8.279 -6.158 -7.051 1.00 0.00 O ATOM 0 H ASP A 78 -9.835 -4.054 -7.361 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.964 -4.605 -5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.944 -6.859 -5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.796 -6.312 -7.098 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.465 -3.852 -3.871 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.056 -3.588 -2.501 1.00 0.00 C ATOM 1229 C ALA A 79 -10.111 -2.788 -1.739 1.00 0.00 C ATOM 1230 O ALA A 79 -10.303 -2.984 -0.548 1.00 0.00 O ATOM 1231 CB ALA A 79 -7.754 -2.844 -2.494 1.00 0.00 C ATOM 0 H ALA A 79 -8.828 -3.477 -4.573 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.937 -4.548 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.452 -2.649 -1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.990 -3.443 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.872 -1.898 -3.023 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.830 -1.931 -2.451 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.868 -1.102 -1.839 1.00 0.00 C ATOM 1239 C ARG A 80 -13.052 -1.981 -1.420 1.00 0.00 C ATOM 1240 O ARG A 80 -13.740 -1.696 -0.453 1.00 0.00 O ATOM 1241 CB ARG A 80 -12.309 0.006 -2.810 1.00 0.00 C ATOM 1242 CG ARG A 80 -13.062 -0.500 -4.025 1.00 0.00 C ATOM 1243 CD ARG A 80 -13.095 0.519 -5.140 1.00 0.00 C ATOM 1244 NE ARG A 80 -13.808 1.751 -4.758 1.00 0.00 N ATOM 1245 CZ ARG A 80 -14.439 2.567 -5.614 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -14.463 2.280 -6.911 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -15.058 3.657 -5.166 1.00 0.00 N ATOM 0 H ARG A 80 -10.716 -1.789 -3.455 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.467 -0.620 -0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.940 0.714 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.428 0.554 -3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.593 -1.416 -4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.082 -0.755 -3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.074 0.769 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.576 0.081 -6.014 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.822 2.001 -3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.001 1.438 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.943 2.901 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.053 3.873 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.537 4.276 -5.820 1.00 0.00 H new ATOM 1261 N ARG A 81 -13.229 -3.083 -2.126 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.298 -4.020 -1.842 1.00 0.00 C ATOM 1263 C ARG A 81 -13.836 -4.862 -0.663 1.00 0.00 C ATOM 1264 O ARG A 81 -14.600 -5.140 0.270 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.572 -4.890 -3.107 1.00 0.00 C ATOM 1266 CG ARG A 81 -15.907 -5.657 -3.135 1.00 0.00 C ATOM 1267 CD ARG A 81 -15.988 -6.775 -2.116 1.00 0.00 C ATOM 1268 NE ARG A 81 -17.309 -7.407 -2.100 1.00 0.00 N ATOM 1269 CZ ARG A 81 -17.593 -8.595 -1.540 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -16.625 -9.325 -0.971 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -18.840 -9.050 -1.557 1.00 0.00 N ATOM 0 H ARG A 81 -12.636 -3.352 -2.911 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.232 -3.518 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.532 -4.242 -3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.761 -5.612 -3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.723 -4.956 -2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.056 -6.074 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.230 -7.525 -2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.763 -6.380 -1.125 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.075 -6.905 -2.550 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.665 -8.980 -0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.848 -10.226 -0.548 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.578 -8.498 -1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.060 -9.951 -1.133 1.00 0.00 H new