USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 675 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 78 LYS NZ :NH3+ -170:sc= 0.576 (180deg=0) USER MOD Set 1.2: A 79 ASN : amide:sc= -2.32! C(o=-1.7!,f=-9.6!) USER MOD Set 2.1: A 37 SER OG : rot -29:sc= 0.914 USER MOD Set 2.2: A 61 THR OG1 : rot -146:sc= 1.03 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-7.5!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.00681 USER MOD Single : A 4 THR OG1 : rot 21:sc= 0.232 USER MOD Single : A 10 THR OG1 : rot 70:sc= 0.913 USER MOD Single : A 15 THR OG1 : rot 85:sc= 0.691 USER MOD Single : A 16 CYS SG : rot -94:sc= -3.21! USER MOD Single : A 22 THR OG1 : rot -11:sc= -0.491 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 27 SER OG : rot 86:sc= -0.0678 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0.396 (180deg=0.224) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.347 F(o=-0.87,f=-0.35) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.393 F(o=-1.2,f=-0.39) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 73 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.6!) USER MOD Single : A 74 TYR OH : rot 110:sc= -0.215 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 0.343 10.637 3.962 1.00 0.00 N ATOM 46 CA THR A 4 0.517 9.557 2.970 1.00 0.00 C ATOM 47 C THR A 4 -0.520 8.433 3.210 1.00 0.00 C ATOM 48 O THR A 4 -0.954 7.776 2.268 1.00 0.00 O ATOM 49 CB THR A 4 1.969 8.962 3.019 1.00 0.00 C ATOM 50 OG1 THR A 4 2.925 10.032 3.078 1.00 0.00 O ATOM 51 CG2 THR A 4 2.286 8.082 1.792 1.00 0.00 C ATOM 0 HA THR A 4 0.359 9.988 1.981 1.00 0.00 H new ATOM 0 HB THR A 4 2.030 8.335 3.908 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.486 10.845 3.404 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.302 7.695 1.874 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.583 7.250 1.750 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.198 8.678 0.884 1.00 0.00 H new ATOM 59 N PHE A 5 -0.956 8.291 4.485 1.00 0.00 N ATOM 60 CA PHE A 5 -2.016 7.342 4.866 1.00 0.00 C ATOM 61 C PHE A 5 -3.326 7.681 4.140 1.00 0.00 C ATOM 62 O PHE A 5 -3.899 6.825 3.483 1.00 0.00 O ATOM 63 CB PHE A 5 -2.245 7.326 6.406 1.00 0.00 C ATOM 64 CG PHE A 5 -3.515 6.562 6.837 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.594 5.175 6.709 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.641 7.239 7.328 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.747 4.497 7.056 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.792 6.552 7.679 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.843 5.181 7.543 1.00 0.00 C ATOM 0 H PHE A 5 -0.583 8.828 5.268 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.689 6.346 4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.378 6.874 6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.310 8.353 6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.744 4.625 6.334 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.610 8.313 7.434 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.791 3.424 6.945 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.648 7.090 8.059 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.739 4.643 7.817 1.00 0.00 H new ATOM 79 N ASP A 6 -3.759 8.945 4.278 1.00 0.00 N ATOM 80 CA ASP A 6 -5.034 9.453 3.716 1.00 0.00 C ATOM 81 C ASP A 6 -5.092 9.288 2.191 1.00 0.00 C ATOM 82 O ASP A 6 -6.133 8.935 1.642 1.00 0.00 O ATOM 83 CB ASP A 6 -5.221 10.945 4.100 1.00 0.00 C ATOM 84 CG ASP A 6 -5.532 11.142 5.591 1.00 0.00 C ATOM 85 OD1 ASP A 6 -4.593 11.147 6.418 1.00 0.00 O ATOM 86 OD2 ASP A 6 -6.723 11.271 5.945 1.00 0.00 O ATOM 0 H ASP A 6 -3.233 9.655 4.787 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.845 8.862 4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.316 11.497 3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.030 11.370 3.506 1.00 0.00 H new ATOM 91 N ARG A 7 -3.954 9.538 1.531 1.00 0.00 N ATOM 92 CA ARG A 7 -3.833 9.465 0.058 1.00 0.00 C ATOM 93 C ARG A 7 -3.925 8.008 -0.445 1.00 0.00 C ATOM 94 O ARG A 7 -4.635 7.714 -1.413 1.00 0.00 O ATOM 95 CB ARG A 7 -2.501 10.097 -0.402 1.00 0.00 C ATOM 96 CG ARG A 7 -2.201 11.474 0.217 1.00 0.00 C ATOM 97 CD ARG A 7 -0.874 12.060 -0.283 1.00 0.00 C ATOM 98 NE ARG A 7 -0.364 13.139 0.575 1.00 0.00 N ATOM 99 CZ ARG A 7 0.635 13.961 0.238 1.00 0.00 C ATOM 100 NH1 ARG A 7 1.140 13.964 -0.995 1.00 0.00 N ATOM 101 NH2 ARG A 7 1.102 14.812 1.124 1.00 0.00 N ATOM 0 H ARG A 7 -3.086 9.798 1.999 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.665 10.024 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.686 9.416 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.516 10.196 -1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.012 12.162 -0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.169 11.383 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.130 11.265 -0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.010 12.441 -1.295 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.801 13.269 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.764 13.331 -1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.902 14.599 -1.232 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.702 14.842 2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.864 15.442 0.874 1.00 0.00 H new ATOM 115 N VAL A 8 -3.168 7.105 0.213 1.00 0.00 N ATOM 116 CA VAL A 8 -3.209 5.650 -0.073 1.00 0.00 C ATOM 117 C VAL A 8 -4.600 5.073 0.268 1.00 0.00 C ATOM 118 O VAL A 8 -5.111 4.198 -0.432 1.00 0.00 O ATOM 119 CB VAL A 8 -2.094 4.871 0.725 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.186 3.343 0.499 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.687 5.391 0.351 1.00 0.00 C ATOM 0 H VAL A 8 -2.514 7.359 0.954 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.017 5.519 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.264 5.057 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.401 2.843 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.159 2.984 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.063 3.124 -0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.066 4.839 0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.519 5.249 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.615 6.452 0.592 1.00 0.00 H new ATOM 131 N ALA A 9 -5.209 5.613 1.333 1.00 0.00 N ATOM 132 CA ALA A 9 -6.531 5.188 1.824 1.00 0.00 C ATOM 133 C ALA A 9 -7.622 5.552 0.800 1.00 0.00 C ATOM 134 O ALA A 9 -8.569 4.796 0.614 1.00 0.00 O ATOM 135 CB ALA A 9 -6.839 5.828 3.185 1.00 0.00 C ATOM 0 H ALA A 9 -4.795 6.365 1.884 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.518 4.106 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.820 5.500 3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.082 5.526 3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.834 6.913 3.086 1.00 0.00 H new ATOM 141 N THR A 10 -7.477 6.739 0.175 1.00 0.00 N ATOM 142 CA THR A 10 -8.282 7.191 -0.981 1.00 0.00 C ATOM 143 C THR A 10 -8.228 6.168 -2.141 1.00 0.00 C ATOM 144 O THR A 10 -9.270 5.774 -2.674 1.00 0.00 O ATOM 145 CB THR A 10 -7.753 8.586 -1.474 1.00 0.00 C ATOM 146 OG1 THR A 10 -7.951 9.569 -0.454 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.384 9.064 -2.798 1.00 0.00 C ATOM 0 H THR A 10 -6.781 7.426 0.466 1.00 0.00 H new ATOM 0 HA THR A 10 -9.320 7.280 -0.661 1.00 0.00 H new ATOM 0 HB THR A 10 -6.690 8.455 -1.677 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.344 9.390 0.295 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.967 10.034 -3.071 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.168 8.342 -3.585 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.463 9.155 -2.675 1.00 0.00 H new ATOM 155 N ILE A 11 -6.994 5.745 -2.492 1.00 0.00 N ATOM 156 CA ILE A 11 -6.736 4.763 -3.570 1.00 0.00 C ATOM 157 C ILE A 11 -7.492 3.448 -3.294 1.00 0.00 C ATOM 158 O ILE A 11 -8.264 2.972 -4.132 1.00 0.00 O ATOM 159 CB ILE A 11 -5.180 4.484 -3.713 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.417 5.759 -4.213 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.887 3.255 -4.615 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.819 6.236 -5.598 1.00 0.00 C ATOM 0 H ILE A 11 -6.145 6.076 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.099 5.183 -4.508 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.806 4.242 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.584 6.568 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.347 5.550 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.810 3.103 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.352 2.368 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.293 3.430 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.240 7.122 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.625 5.447 -6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.881 6.482 -5.604 1.00 0.00 H new ATOM 174 N ILE A 12 -7.292 2.909 -2.085 1.00 0.00 N ATOM 175 CA ILE A 12 -7.896 1.638 -1.645 1.00 0.00 C ATOM 176 C ILE A 12 -9.435 1.752 -1.559 1.00 0.00 C ATOM 177 O ILE A 12 -10.155 0.822 -1.922 1.00 0.00 O ATOM 178 CB ILE A 12 -7.294 1.200 -0.254 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.751 0.996 -0.387 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.991 -0.065 0.313 1.00 0.00 C ATOM 181 CD1 ILE A 12 -5.020 0.625 0.890 1.00 0.00 C ATOM 0 H ILE A 12 -6.702 3.344 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.659 0.875 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.482 1.998 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.569 0.216 -1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.315 1.915 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.543 -0.329 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.053 0.136 0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.867 -0.893 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.957 0.509 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.159 1.412 1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.418 -0.313 1.278 1.00 0.00 H new ATOM 193 N ALA A 13 -9.920 2.917 -1.100 1.00 0.00 N ATOM 194 CA ALA A 13 -11.359 3.204 -0.929 1.00 0.00 C ATOM 195 C ALA A 13 -12.124 3.134 -2.258 1.00 0.00 C ATOM 196 O ALA A 13 -13.170 2.488 -2.356 1.00 0.00 O ATOM 197 CB ALA A 13 -11.557 4.584 -0.273 1.00 0.00 C ATOM 0 H ALA A 13 -9.319 3.697 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.767 2.433 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.622 4.781 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.074 4.595 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.114 5.354 -0.905 1.00 0.00 H new ATOM 203 N GLU A 14 -11.589 3.815 -3.273 1.00 0.00 N ATOM 204 CA GLU A 14 -12.192 3.878 -4.609 1.00 0.00 C ATOM 205 C GLU A 14 -12.065 2.531 -5.356 1.00 0.00 C ATOM 206 O GLU A 14 -13.071 1.968 -5.812 1.00 0.00 O ATOM 207 CB GLU A 14 -11.531 5.021 -5.423 1.00 0.00 C ATOM 208 CG GLU A 14 -11.625 6.419 -4.764 1.00 0.00 C ATOM 209 CD GLU A 14 -13.055 6.985 -4.679 1.00 0.00 C ATOM 210 OE1 GLU A 14 -13.760 6.737 -3.670 1.00 0.00 O ATOM 211 OE2 GLU A 14 -13.478 7.701 -5.613 1.00 0.00 O ATOM 0 H GLU A 14 -10.720 4.342 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.256 4.084 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.480 4.777 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.998 5.065 -6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.209 6.362 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.004 7.116 -5.327 1.00 0.00 H new ATOM 218 N THR A 15 -10.827 2.013 -5.436 1.00 0.00 N ATOM 219 CA THR A 15 -10.499 0.812 -6.232 1.00 0.00 C ATOM 220 C THR A 15 -11.174 -0.456 -5.659 1.00 0.00 C ATOM 221 O THR A 15 -11.753 -1.250 -6.406 1.00 0.00 O ATOM 222 CB THR A 15 -8.942 0.623 -6.306 1.00 0.00 C ATOM 223 OG1 THR A 15 -8.348 1.844 -6.760 1.00 0.00 O ATOM 224 CG2 THR A 15 -8.511 -0.508 -7.255 1.00 0.00 C ATOM 0 H THR A 15 -10.024 2.414 -4.951 1.00 0.00 H new ATOM 0 HA THR A 15 -10.888 0.961 -7.239 1.00 0.00 H new ATOM 0 HB THR A 15 -8.607 0.354 -5.304 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.209 2.443 -5.997 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.424 -0.585 -7.259 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.940 -1.451 -6.916 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.863 -0.291 -8.263 1.00 0.00 H new ATOM 232 N CYS A 16 -11.101 -0.627 -4.328 1.00 0.00 N ATOM 233 CA CYS A 16 -11.647 -1.813 -3.635 1.00 0.00 C ATOM 234 C CYS A 16 -13.061 -1.591 -3.057 1.00 0.00 C ATOM 235 O CYS A 16 -13.578 -2.474 -2.359 1.00 0.00 O ATOM 236 CB CYS A 16 -10.660 -2.224 -2.528 1.00 0.00 C ATOM 237 SG CYS A 16 -8.971 -2.437 -3.129 1.00 0.00 S ATOM 0 H CYS A 16 -10.664 0.049 -3.701 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.758 -2.611 -4.369 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.667 -1.467 -1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.999 -3.156 -2.075 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.769 -3.687 -3.422 1.00 0.00 H new ATOM 243 N ASP A 17 -13.674 -0.414 -3.339 1.00 0.00 N ATOM 244 CA ASP A 17 -15.070 -0.079 -2.936 1.00 0.00 C ATOM 245 C ASP A 17 -15.249 -0.045 -1.398 1.00 0.00 C ATOM 246 O ASP A 17 -16.359 -0.245 -0.894 1.00 0.00 O ATOM 247 CB ASP A 17 -16.098 -1.069 -3.592 1.00 0.00 C ATOM 248 CG ASP A 17 -16.190 -0.938 -5.124 1.00 0.00 C ATOM 249 OD1 ASP A 17 -15.226 -1.309 -5.830 1.00 0.00 O ATOM 250 OD2 ASP A 17 -17.235 -0.480 -5.635 1.00 0.00 O ATOM 0 H ASP A 17 -13.214 0.336 -3.855 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.271 0.927 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.817 -2.091 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.084 -0.894 -3.161 1.00 0.00 H new ATOM 255 N ILE A 18 -14.159 0.241 -0.665 1.00 0.00 N ATOM 256 CA ILE A 18 -14.154 0.221 0.816 1.00 0.00 C ATOM 257 C ILE A 18 -14.419 1.638 1.378 1.00 0.00 C ATOM 258 O ILE A 18 -13.699 2.563 1.019 1.00 0.00 O ATOM 259 CB ILE A 18 -12.786 -0.339 1.369 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.513 -1.771 0.810 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.758 -0.328 2.922 1.00 0.00 C ATOM 262 CD1 ILE A 18 -11.214 -2.409 1.278 1.00 0.00 C ATOM 0 H ILE A 18 -13.259 0.492 -1.075 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.953 -0.442 1.147 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.988 0.319 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.342 -2.419 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.505 -1.724 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.803 -0.720 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.885 0.693 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.567 -0.950 3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.116 -3.400 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.372 -1.789 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.222 -2.496 2.365 1.00 0.00 H new ATOM 274 N PRO A 19 -15.454 1.836 2.263 1.00 0.00 N ATOM 275 CA PRO A 19 -15.713 3.148 2.907 1.00 0.00 C ATOM 276 C PRO A 19 -14.526 3.616 3.799 1.00 0.00 C ATOM 277 O PRO A 19 -13.953 2.827 4.561 1.00 0.00 O ATOM 278 CB PRO A 19 -17.010 2.907 3.731 1.00 0.00 C ATOM 279 CG PRO A 19 -17.098 1.422 3.907 1.00 0.00 C ATOM 280 CD PRO A 19 -16.459 0.817 2.675 1.00 0.00 C ATOM 0 HA PRO A 19 -15.825 3.951 2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.964 3.415 4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.885 3.293 3.209 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.579 1.105 4.811 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.135 1.102 4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.990 -0.142 2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.193 0.638 1.890 1.00 0.00 H new ATOM 288 N ARG A 20 -14.173 4.913 3.671 1.00 0.00 N ATOM 289 CA ARG A 20 -13.073 5.562 4.425 1.00 0.00 C ATOM 290 C ARG A 20 -13.298 5.502 5.949 1.00 0.00 C ATOM 291 O ARG A 20 -12.329 5.464 6.722 1.00 0.00 O ATOM 292 CB ARG A 20 -12.911 7.041 3.961 1.00 0.00 C ATOM 293 CG ARG A 20 -12.176 7.222 2.615 1.00 0.00 C ATOM 294 CD ARG A 20 -10.692 6.825 2.713 1.00 0.00 C ATOM 295 NE ARG A 20 -9.988 7.570 3.780 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.114 8.571 3.592 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.826 8.995 2.372 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.546 9.150 4.642 1.00 0.00 N ATOM 0 H ARG A 20 -14.650 5.550 3.032 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.158 5.010 4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.900 7.492 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.370 7.591 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.664 6.617 1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.253 8.261 2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.615 5.755 2.907 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.203 7.012 1.757 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.184 7.299 4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.270 8.560 1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.160 9.757 2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.775 8.834 5.584 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.881 9.911 4.507 1.00 0.00 H new ATOM 312 N GLU A 21 -14.575 5.491 6.359 1.00 0.00 N ATOM 313 CA GLU A 21 -14.970 5.407 7.778 1.00 0.00 C ATOM 314 C GLU A 21 -14.535 4.065 8.413 1.00 0.00 C ATOM 315 O GLU A 21 -14.257 4.004 9.618 1.00 0.00 O ATOM 316 CB GLU A 21 -16.506 5.605 7.917 1.00 0.00 C ATOM 317 CG GLU A 21 -17.356 4.539 7.192 1.00 0.00 C ATOM 318 CD GLU A 21 -18.867 4.718 7.401 1.00 0.00 C ATOM 319 OE1 GLU A 21 -19.355 4.452 8.520 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.572 5.128 6.451 1.00 0.00 O ATOM 0 H GLU A 21 -15.366 5.540 5.717 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.458 6.204 8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.766 5.601 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.770 6.588 7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.138 4.575 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.063 3.550 7.544 1.00 0.00 H new ATOM 327 N THR A 22 -14.483 2.988 7.594 1.00 0.00 N ATOM 328 CA THR A 22 -14.079 1.647 8.056 1.00 0.00 C ATOM 329 C THR A 22 -12.583 1.380 7.782 1.00 0.00 C ATOM 330 O THR A 22 -12.061 0.356 8.207 1.00 0.00 O ATOM 331 CB THR A 22 -14.946 0.523 7.395 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.805 0.567 5.972 1.00 0.00 O ATOM 333 CG2 THR A 22 -16.436 0.642 7.760 1.00 0.00 C ATOM 0 H THR A 22 -14.719 3.027 6.602 1.00 0.00 H new ATOM 0 HA THR A 22 -14.246 1.625 9.133 1.00 0.00 H new ATOM 0 HB THR A 22 -14.582 -0.429 7.781 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.348 1.395 5.714 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.994 -0.160 7.277 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.553 0.566 8.841 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.818 1.605 7.421 1.00 0.00 H new ATOM 341 N ILE A 23 -11.918 2.294 7.047 1.00 0.00 N ATOM 342 CA ILE A 23 -10.453 2.234 6.803 1.00 0.00 C ATOM 343 C ILE A 23 -9.696 2.805 8.027 1.00 0.00 C ATOM 344 O ILE A 23 -9.936 3.947 8.421 1.00 0.00 O ATOM 345 CB ILE A 23 -10.058 3.018 5.483 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.591 2.262 4.222 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.532 3.276 5.385 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.271 2.914 2.886 1.00 0.00 C ATOM 0 H ILE A 23 -12.374 3.093 6.606 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.167 1.192 6.662 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.534 3.998 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.178 1.253 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.673 2.164 4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.313 3.816 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.208 3.870 6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.001 2.324 5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.685 2.311 2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.708 3.912 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.190 2.988 2.767 1.00 0.00 H new ATOM 360 N THR A 24 -8.793 1.989 8.614 1.00 0.00 N ATOM 361 CA THR A 24 -7.976 2.369 9.795 1.00 0.00 C ATOM 362 C THR A 24 -6.466 2.191 9.482 1.00 0.00 C ATOM 363 O THR A 24 -6.122 1.446 8.563 1.00 0.00 O ATOM 364 CB THR A 24 -8.364 1.507 11.049 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.068 0.120 10.827 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.855 1.661 11.405 1.00 0.00 C ATOM 0 H THR A 24 -8.607 1.042 8.282 1.00 0.00 H new ATOM 0 HA THR A 24 -8.176 3.416 10.021 1.00 0.00 H new ATOM 0 HB THR A 24 -7.768 1.874 11.885 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.316 -0.398 11.621 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.086 1.050 12.278 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.070 2.706 11.627 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.466 1.336 10.563 1.00 0.00 H new ATOM 374 N PRO A 25 -5.535 2.902 10.219 1.00 0.00 N ATOM 375 CA PRO A 25 -4.065 2.712 10.062 1.00 0.00 C ATOM 376 C PRO A 25 -3.598 1.272 10.356 1.00 0.00 C ATOM 377 O PRO A 25 -2.724 0.737 9.660 1.00 0.00 O ATOM 378 CB PRO A 25 -3.454 3.726 11.066 1.00 0.00 C ATOM 379 CG PRO A 25 -4.534 4.741 11.277 1.00 0.00 C ATOM 380 CD PRO A 25 -5.832 3.974 11.200 1.00 0.00 C ATOM 0 HA PRO A 25 -3.749 2.879 9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.177 3.240 12.002 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.550 4.185 10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.426 5.233 12.244 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.493 5.521 10.516 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.116 3.565 12.170 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.655 4.607 10.868 1.00 0.00 H new ATOM 388 N GLU A 26 -4.224 0.640 11.361 1.00 0.00 N ATOM 389 CA GLU A 26 -3.841 -0.712 11.831 1.00 0.00 C ATOM 390 C GLU A 26 -4.415 -1.815 10.919 1.00 0.00 C ATOM 391 O GLU A 26 -4.089 -2.995 11.089 1.00 0.00 O ATOM 392 CB GLU A 26 -4.316 -0.938 13.286 1.00 0.00 C ATOM 393 CG GLU A 26 -5.842 -0.825 13.487 1.00 0.00 C ATOM 394 CD GLU A 26 -6.291 -1.162 14.917 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.945 -0.398 15.849 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.986 -2.182 15.120 1.00 0.00 O ATOM 0 H GLU A 26 -5.008 1.045 11.873 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.753 -0.771 11.794 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.992 -1.927 13.611 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.823 -0.212 13.933 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.160 0.189 13.243 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.344 -1.494 12.788 1.00 0.00 H new ATOM 403 N SER A 27 -5.271 -1.415 9.964 1.00 0.00 N ATOM 404 CA SER A 27 -5.895 -2.334 9.008 1.00 0.00 C ATOM 405 C SER A 27 -4.839 -2.982 8.102 1.00 0.00 C ATOM 406 O SER A 27 -4.065 -2.281 7.450 1.00 0.00 O ATOM 407 CB SER A 27 -6.925 -1.578 8.157 1.00 0.00 C ATOM 408 OG SER A 27 -7.604 -2.450 7.286 1.00 0.00 O ATOM 0 H SER A 27 -5.548 -0.442 9.836 1.00 0.00 H new ATOM 0 HA SER A 27 -6.397 -3.124 9.566 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.642 -1.079 8.808 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.424 -0.801 7.580 1.00 0.00 H new ATOM 0 HG SER A 27 -8.363 -2.855 7.755 1.00 0.00 H new ATOM 414 N HIS A 28 -4.782 -4.312 8.119 1.00 0.00 N ATOM 415 CA HIS A 28 -3.953 -5.098 7.206 1.00 0.00 C ATOM 416 C HIS A 28 -4.748 -5.339 5.912 1.00 0.00 C ATOM 417 O HIS A 28 -5.896 -5.781 5.980 1.00 0.00 O ATOM 418 CB HIS A 28 -3.572 -6.435 7.884 1.00 0.00 C ATOM 419 CG HIS A 28 -2.507 -7.210 7.157 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.763 -7.867 5.984 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.208 -7.402 7.493 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.623 -8.432 5.637 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.655 -8.181 6.524 1.00 0.00 N ATOM 0 H HIS A 28 -5.316 -4.882 8.775 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.033 -4.567 6.963 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.229 -6.231 8.898 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.465 -7.055 7.968 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.706 -7.010 8.366 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.488 -9.025 4.745 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.310 -8.509 6.483 1.00 0.00 H new ATOM 431 N ALA A 29 -4.160 -5.007 4.749 1.00 0.00 N ATOM 432 CA ALA A 29 -4.815 -5.189 3.437 1.00 0.00 C ATOM 433 C ALA A 29 -5.340 -6.628 3.240 1.00 0.00 C ATOM 434 O ALA A 29 -6.535 -6.811 3.011 1.00 0.00 O ATOM 435 CB ALA A 29 -3.866 -4.795 2.299 1.00 0.00 C ATOM 0 H ALA A 29 -3.223 -4.607 4.689 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.681 -4.528 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.368 -4.936 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.581 -3.749 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.974 -5.420 2.337 1.00 0.00 H new ATOM 441 N ILE A 30 -4.456 -7.640 3.396 1.00 0.00 N ATOM 442 CA ILE A 30 -4.835 -9.057 3.180 1.00 0.00 C ATOM 443 C ILE A 30 -5.843 -9.520 4.246 1.00 0.00 C ATOM 444 O ILE A 30 -6.941 -9.981 3.912 1.00 0.00 O ATOM 445 CB ILE A 30 -3.585 -10.016 3.160 1.00 0.00 C ATOM 446 CG1 ILE A 30 -2.615 -9.637 1.994 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.011 -11.504 3.073 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.380 -10.521 1.868 1.00 0.00 C ATOM 0 H ILE A 30 -3.482 -7.504 3.669 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.303 -9.112 2.197 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.051 -9.886 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.168 -9.675 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.292 -8.605 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.123 -12.136 3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.626 -11.758 3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.584 -11.666 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.771 -10.178 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.798 -10.466 2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.687 -11.552 1.694 1.00 0.00 H new ATOM 460 N ASP A 31 -5.468 -9.354 5.520 1.00 0.00 N ATOM 461 CA ASP A 31 -6.254 -9.863 6.655 1.00 0.00 C ATOM 462 C ASP A 31 -7.578 -9.093 6.810 1.00 0.00 C ATOM 463 O ASP A 31 -8.662 -9.647 6.593 1.00 0.00 O ATOM 464 CB ASP A 31 -5.424 -9.788 7.964 1.00 0.00 C ATOM 465 CG ASP A 31 -6.206 -10.256 9.213 1.00 0.00 C ATOM 466 OD1 ASP A 31 -6.231 -11.478 9.487 1.00 0.00 O ATOM 467 OD2 ASP A 31 -6.799 -9.407 9.920 1.00 0.00 O ATOM 0 H ASP A 31 -4.616 -8.866 5.795 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.498 -10.906 6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.529 -10.400 7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.091 -8.761 8.116 1.00 0.00 H new ATOM 472 N ASP A 32 -7.465 -7.809 7.158 1.00 0.00 N ATOM 473 CA ASP A 32 -8.605 -6.988 7.595 1.00 0.00 C ATOM 474 C ASP A 32 -9.500 -6.595 6.407 1.00 0.00 C ATOM 475 O ASP A 32 -10.699 -6.881 6.408 1.00 0.00 O ATOM 476 CB ASP A 32 -8.093 -5.727 8.351 1.00 0.00 C ATOM 477 CG ASP A 32 -9.209 -4.984 9.104 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.875 -4.104 8.515 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.437 -5.297 10.293 1.00 0.00 O ATOM 0 H ASP A 32 -6.579 -7.304 7.146 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.215 -7.581 8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.320 -6.024 9.059 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.628 -5.046 7.638 1.00 0.00 H new ATOM 484 N LEU A 33 -8.898 -5.960 5.390 1.00 0.00 N ATOM 485 CA LEU A 33 -9.629 -5.443 4.213 1.00 0.00 C ATOM 486 C LEU A 33 -10.042 -6.570 3.238 1.00 0.00 C ATOM 487 O LEU A 33 -10.860 -6.340 2.339 1.00 0.00 O ATOM 488 CB LEU A 33 -8.768 -4.387 3.475 1.00 0.00 C ATOM 489 CG LEU A 33 -8.389 -3.111 4.286 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.527 -2.147 3.442 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.647 -2.403 4.856 1.00 0.00 C ATOM 0 H LEU A 33 -7.893 -5.788 5.356 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.545 -4.978 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.847 -4.868 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.304 -4.075 2.579 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.786 -3.429 5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.279 -1.267 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.609 -2.651 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.084 -1.842 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.344 -1.518 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.301 -2.108 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.180 -3.086 5.518 1.00 0.00 H new ATOM 503 N GLY A 34 -9.449 -7.777 3.405 1.00 0.00 N ATOM 504 CA GLY A 34 -9.767 -8.941 2.552 1.00 0.00 C ATOM 505 C GLY A 34 -9.085 -8.894 1.177 1.00 0.00 C ATOM 506 O GLY A 34 -9.367 -9.717 0.304 1.00 0.00 O ATOM 0 H GLY A 34 -8.749 -7.967 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.466 -9.853 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.847 -8.995 2.412 1.00 0.00 H new ATOM 510 N ILE A 35 -8.185 -7.919 1.011 1.00 0.00 N ATOM 511 CA ILE A 35 -7.465 -7.645 -0.239 1.00 0.00 C ATOM 512 C ILE A 35 -6.216 -8.532 -0.352 1.00 0.00 C ATOM 513 O ILE A 35 -5.169 -8.237 0.237 1.00 0.00 O ATOM 514 CB ILE A 35 -7.063 -6.125 -0.295 1.00 0.00 C ATOM 515 CG1 ILE A 35 -8.336 -5.222 -0.265 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.170 -5.804 -1.519 1.00 0.00 C ATOM 517 CD1 ILE A 35 -8.050 -3.739 -0.133 1.00 0.00 C ATOM 0 H ILE A 35 -7.929 -7.280 1.764 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.120 -7.874 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.467 -5.908 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.907 -5.389 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.968 -5.533 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.917 -4.744 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.256 -6.395 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.708 -6.047 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.990 -3.187 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.508 -3.554 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.446 -3.408 -0.978 1.00 0.00 H new ATOM 529 N ASP A 36 -6.345 -9.616 -1.123 1.00 0.00 N ATOM 530 CA ASP A 36 -5.248 -10.551 -1.416 1.00 0.00 C ATOM 531 C ASP A 36 -4.152 -9.841 -2.252 1.00 0.00 C ATOM 532 O ASP A 36 -4.412 -8.794 -2.851 1.00 0.00 O ATOM 533 CB ASP A 36 -5.828 -11.780 -2.183 1.00 0.00 C ATOM 534 CG ASP A 36 -4.812 -12.917 -2.413 1.00 0.00 C ATOM 535 OD1 ASP A 36 -4.103 -12.905 -3.441 1.00 0.00 O ATOM 536 OD2 ASP A 36 -4.708 -13.818 -1.552 1.00 0.00 O ATOM 0 H ASP A 36 -7.225 -9.875 -1.569 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.790 -10.893 -0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.678 -12.174 -1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.207 -11.446 -3.149 1.00 0.00 H new ATOM 541 N SER A 37 -2.947 -10.440 -2.304 1.00 0.00 N ATOM 542 CA SER A 37 -1.794 -9.928 -3.082 1.00 0.00 C ATOM 543 C SER A 37 -2.111 -9.754 -4.596 1.00 0.00 C ATOM 544 O SER A 37 -1.382 -9.051 -5.301 1.00 0.00 O ATOM 545 CB SER A 37 -0.587 -10.867 -2.876 1.00 0.00 C ATOM 546 OG SER A 37 0.562 -10.402 -3.568 1.00 0.00 O ATOM 0 H SER A 37 -2.741 -11.304 -1.802 1.00 0.00 H new ATOM 0 HA SER A 37 -1.558 -8.931 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.364 -10.946 -1.812 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.841 -11.868 -3.223 1.00 0.00 H new ATOM 0 HG SER A 37 0.284 -9.892 -4.357 1.00 0.00 H new ATOM 552 N LEU A 38 -3.210 -10.367 -5.089 1.00 0.00 N ATOM 553 CA LEU A 38 -3.655 -10.226 -6.486 1.00 0.00 C ATOM 554 C LEU A 38 -4.494 -8.949 -6.652 1.00 0.00 C ATOM 555 O LEU A 38 -4.298 -8.183 -7.598 1.00 0.00 O ATOM 556 CB LEU A 38 -4.480 -11.461 -6.928 1.00 0.00 C ATOM 557 CG LEU A 38 -3.780 -12.851 -6.815 1.00 0.00 C ATOM 558 CD1 LEU A 38 -4.686 -13.966 -7.396 1.00 0.00 C ATOM 559 CD2 LEU A 38 -2.375 -12.829 -7.471 1.00 0.00 C ATOM 0 H LEU A 38 -3.810 -10.972 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.770 -10.156 -7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.393 -11.491 -6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.781 -11.315 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.626 -13.076 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.181 -14.928 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.625 -13.997 -6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.891 -13.758 -8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.913 -13.812 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.470 -12.574 -8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.752 -12.086 -6.973 1.00 0.00 H new ATOM 571 N ASP A 39 -5.425 -8.735 -5.706 1.00 0.00 N ATOM 572 CA ASP A 39 -6.329 -7.560 -5.706 1.00 0.00 C ATOM 573 C ASP A 39 -5.529 -6.277 -5.417 1.00 0.00 C ATOM 574 O ASP A 39 -5.847 -5.191 -5.924 1.00 0.00 O ATOM 575 CB ASP A 39 -7.454 -7.738 -4.650 1.00 0.00 C ATOM 576 CG ASP A 39 -8.502 -6.607 -4.705 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.413 -6.668 -5.565 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.425 -5.658 -3.899 1.00 0.00 O ATOM 0 H ASP A 39 -5.576 -9.367 -4.920 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.789 -7.476 -6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.949 -8.696 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.011 -7.770 -3.654 1.00 0.00 H new ATOM 583 N PHE A 40 -4.461 -6.443 -4.618 1.00 0.00 N ATOM 584 CA PHE A 40 -3.559 -5.360 -4.219 1.00 0.00 C ATOM 585 C PHE A 40 -2.754 -4.825 -5.423 1.00 0.00 C ATOM 586 O PHE A 40 -2.240 -3.724 -5.361 1.00 0.00 O ATOM 587 CB PHE A 40 -2.620 -5.827 -3.077 1.00 0.00 C ATOM 588 CG PHE A 40 -1.993 -4.684 -2.269 1.00 0.00 C ATOM 589 CD1 PHE A 40 -0.782 -4.103 -2.641 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.634 -4.181 -1.139 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.239 -3.062 -1.926 1.00 0.00 C ATOM 592 CE2 PHE A 40 -2.084 -3.140 -0.419 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.891 -2.586 -0.814 1.00 0.00 C ATOM 0 H PHE A 40 -4.200 -7.349 -4.228 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.166 -4.536 -3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.183 -6.469 -2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.822 -6.435 -3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.260 -4.478 -3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.573 -4.611 -0.823 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.696 -2.620 -2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.592 -2.761 0.455 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.463 -1.772 -0.248 1.00 0.00 H new ATOM 603 N LEU A 41 -2.631 -5.629 -6.504 1.00 0.00 N ATOM 604 CA LEU A 41 -1.918 -5.220 -7.744 1.00 0.00 C ATOM 605 C LEU A 41 -2.534 -3.937 -8.348 1.00 0.00 C ATOM 606 O LEU A 41 -1.809 -3.065 -8.838 1.00 0.00 O ATOM 607 CB LEU A 41 -1.940 -6.376 -8.790 1.00 0.00 C ATOM 608 CG LEU A 41 -0.945 -7.557 -8.531 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.269 -8.787 -9.416 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.519 -7.094 -8.732 1.00 0.00 C ATOM 0 H LEU A 41 -3.018 -6.572 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.883 -5.004 -7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.951 -6.782 -8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.725 -5.955 -9.772 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.066 -7.868 -7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.556 -9.584 -9.206 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.278 -9.136 -9.198 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.201 -8.507 -10.467 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.194 -7.930 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.652 -6.740 -9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.744 -6.286 -8.036 1.00 0.00 H new ATOM 622 N ASP A 42 -3.879 -3.834 -8.291 1.00 0.00 N ATOM 623 CA ASP A 42 -4.639 -2.668 -8.803 1.00 0.00 C ATOM 624 C ASP A 42 -4.388 -1.430 -7.936 1.00 0.00 C ATOM 625 O ASP A 42 -4.229 -0.321 -8.455 1.00 0.00 O ATOM 626 CB ASP A 42 -6.153 -2.979 -8.852 1.00 0.00 C ATOM 627 CG ASP A 42 -6.475 -4.110 -9.833 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.695 -3.836 -11.033 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.473 -5.288 -9.414 1.00 0.00 O ATOM 0 H ASP A 42 -4.473 -4.559 -7.888 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.291 -2.462 -9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.499 -3.254 -7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.698 -2.081 -9.142 1.00 0.00 H new ATOM 634 N ILE A 43 -4.354 -1.649 -6.610 1.00 0.00 N ATOM 635 CA ILE A 43 -4.029 -0.596 -5.617 1.00 0.00 C ATOM 636 C ILE A 43 -2.605 -0.068 -5.848 1.00 0.00 C ATOM 637 O ILE A 43 -2.384 1.135 -5.959 1.00 0.00 O ATOM 638 CB ILE A 43 -4.121 -1.175 -4.155 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.561 -1.674 -3.850 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.634 -0.157 -3.090 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.720 -2.292 -2.481 1.00 0.00 C ATOM 0 H ILE A 43 -4.550 -2.558 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.747 0.215 -5.737 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.447 -2.030 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.252 -0.836 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.848 -2.407 -4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.716 -0.601 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.594 0.105 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.249 0.742 -3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.752 -2.615 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.056 -3.152 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.467 -1.556 -1.718 1.00 0.00 H new ATOM 653 N ALA A 44 -1.669 -1.026 -5.966 1.00 0.00 N ATOM 654 CA ALA A 44 -0.224 -0.773 -6.103 1.00 0.00 C ATOM 655 C ALA A 44 0.060 0.032 -7.379 1.00 0.00 C ATOM 656 O ALA A 44 0.815 0.990 -7.353 1.00 0.00 O ATOM 657 CB ALA A 44 0.557 -2.101 -6.104 1.00 0.00 C ATOM 0 H ALA A 44 -1.901 -2.019 -5.969 1.00 0.00 H new ATOM 0 HA ALA A 44 0.110 -0.184 -5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.623 -1.896 -6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.377 -2.630 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.225 -2.718 -6.939 1.00 0.00 H new ATOM 663 N PHE A 45 -0.667 -0.331 -8.451 1.00 0.00 N ATOM 664 CA PHE A 45 -0.537 0.322 -9.768 1.00 0.00 C ATOM 665 C PHE A 45 -1.177 1.720 -9.760 1.00 0.00 C ATOM 666 O PHE A 45 -0.682 2.636 -10.418 1.00 0.00 O ATOM 667 CB PHE A 45 -1.158 -0.561 -10.879 1.00 0.00 C ATOM 668 CG PHE A 45 -0.868 -0.070 -12.300 1.00 0.00 C ATOM 669 CD1 PHE A 45 0.440 -0.057 -12.788 1.00 0.00 C ATOM 670 CD2 PHE A 45 -1.888 0.377 -13.142 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.715 0.388 -14.066 1.00 0.00 C ATOM 672 CE2 PHE A 45 -1.610 0.821 -14.422 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.311 0.822 -14.885 1.00 0.00 C ATOM 0 H PHE A 45 -1.358 -1.081 -8.430 1.00 0.00 H new ATOM 0 HA PHE A 45 0.525 0.443 -9.980 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.781 -1.578 -10.773 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.237 -0.604 -10.734 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.247 -0.399 -12.158 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.909 0.376 -12.789 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.733 0.397 -14.426 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.410 1.167 -15.059 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.095 1.162 -15.887 1.00 0.00 H new ATOM 683 N ALA A 46 -2.267 1.875 -8.998 1.00 0.00 N ATOM 684 CA ALA A 46 -2.942 3.178 -8.827 1.00 0.00 C ATOM 685 C ALA A 46 -2.077 4.141 -7.987 1.00 0.00 C ATOM 686 O ALA A 46 -2.190 5.354 -8.116 1.00 0.00 O ATOM 687 CB ALA A 46 -4.319 2.986 -8.182 1.00 0.00 C ATOM 0 H ALA A 46 -2.707 1.111 -8.485 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.080 3.623 -9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.803 3.955 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.933 2.349 -8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.201 2.517 -7.205 1.00 0.00 H new ATOM 693 N ILE A 47 -1.223 3.562 -7.125 1.00 0.00 N ATOM 694 CA ILE A 47 -0.232 4.294 -6.310 1.00 0.00 C ATOM 695 C ILE A 47 0.997 4.681 -7.168 1.00 0.00 C ATOM 696 O ILE A 47 1.543 5.787 -7.022 1.00 0.00 O ATOM 697 CB ILE A 47 0.184 3.415 -5.068 1.00 0.00 C ATOM 698 CG1 ILE A 47 -1.025 3.283 -4.080 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.447 3.953 -4.347 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.843 2.266 -2.972 1.00 0.00 C ATOM 0 H ILE A 47 -1.200 2.554 -6.971 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.677 5.219 -5.943 1.00 0.00 H new ATOM 0 HB ILE A 47 0.450 2.426 -5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.214 4.258 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.914 3.018 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.685 3.308 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.286 3.964 -5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.259 4.965 -3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.733 2.250 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.688 1.278 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.023 2.537 -2.368 1.00 0.00 H new ATOM 712 N ASP A 48 1.398 3.759 -8.079 1.00 0.00 N ATOM 713 CA ASP A 48 2.445 4.005 -9.110 1.00 0.00 C ATOM 714 C ASP A 48 2.105 5.268 -9.926 1.00 0.00 C ATOM 715 O ASP A 48 2.976 6.085 -10.229 1.00 0.00 O ATOM 716 CB ASP A 48 2.594 2.776 -10.082 1.00 0.00 C ATOM 717 CG ASP A 48 3.545 1.670 -9.577 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.123 0.776 -8.829 1.00 0.00 O ATOM 719 OD2 ASP A 48 4.731 1.684 -9.952 1.00 0.00 O ATOM 0 H ASP A 48 1.004 2.819 -8.122 1.00 0.00 H new ATOM 0 HA ASP A 48 3.392 4.150 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.609 2.341 -10.250 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.954 3.134 -11.047 1.00 0.00 H new ATOM 724 N LYS A 49 0.809 5.405 -10.246 1.00 0.00 N ATOM 725 CA LYS A 49 0.277 6.514 -11.058 1.00 0.00 C ATOM 726 C LYS A 49 0.054 7.791 -10.215 1.00 0.00 C ATOM 727 O LYS A 49 0.525 8.872 -10.587 1.00 0.00 O ATOM 728 CB LYS A 49 -1.052 6.063 -11.721 1.00 0.00 C ATOM 729 CG LYS A 49 -0.911 4.841 -12.663 1.00 0.00 C ATOM 730 CD LYS A 49 -2.274 4.285 -13.139 1.00 0.00 C ATOM 731 CE LYS A 49 -3.080 5.306 -13.955 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.459 4.844 -14.231 1.00 0.00 N ATOM 0 H LYS A 49 0.093 4.743 -9.946 1.00 0.00 H new ATOM 0 HA LYS A 49 1.010 6.763 -11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.772 5.823 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.464 6.898 -12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.317 5.125 -13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.363 4.052 -12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.107 3.394 -13.744 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.858 3.977 -12.272 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.118 6.251 -13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.569 5.499 -14.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.963 5.566 -14.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.426 3.956 -14.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.958 4.685 -13.333 1.00 0.00 H new ATOM 746 N ALA A 50 -0.640 7.641 -9.064 1.00 0.00 N ATOM 747 CA ALA A 50 -1.101 8.786 -8.230 1.00 0.00 C ATOM 748 C ALA A 50 0.076 9.553 -7.623 1.00 0.00 C ATOM 749 O ALA A 50 0.152 10.784 -7.727 1.00 0.00 O ATOM 750 CB ALA A 50 -2.044 8.312 -7.112 1.00 0.00 C ATOM 0 H ALA A 50 -0.898 6.730 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.646 9.460 -8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.365 9.169 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.916 7.828 -7.552 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.521 7.603 -6.471 1.00 0.00 H new ATOM 756 N PHE A 51 0.996 8.807 -7.005 1.00 0.00 N ATOM 757 CA PHE A 51 2.183 9.368 -6.336 1.00 0.00 C ATOM 758 C PHE A 51 3.324 9.574 -7.345 1.00 0.00 C ATOM 759 O PHE A 51 4.216 10.384 -7.109 1.00 0.00 O ATOM 760 CB PHE A 51 2.631 8.434 -5.179 1.00 0.00 C ATOM 761 CG PHE A 51 1.585 8.269 -4.069 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.486 7.421 -4.237 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.697 8.965 -2.865 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.458 7.270 -3.244 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.749 8.810 -1.871 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.326 7.964 -2.065 1.00 0.00 C ATOM 0 H PHE A 51 0.942 7.790 -6.952 1.00 0.00 H new ATOM 0 HA PHE A 51 1.925 10.341 -5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.868 7.452 -5.589 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.549 8.827 -4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.375 6.874 -5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.532 9.631 -2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.299 6.608 -3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.849 9.351 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.066 7.848 -1.287 1.00 0.00 H new ATOM 776 N GLY A 52 3.273 8.824 -8.471 1.00 0.00 N ATOM 777 CA GLY A 52 4.288 8.915 -9.528 1.00 0.00 C ATOM 778 C GLY A 52 5.586 8.227 -9.125 1.00 0.00 C ATOM 779 O GLY A 52 6.674 8.798 -9.237 1.00 0.00 O ATOM 0 H GLY A 52 2.533 8.149 -8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.904 8.461 -10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.486 9.963 -9.753 1.00 0.00 H new ATOM 783 N ILE A 53 5.451 6.993 -8.625 1.00 0.00 N ATOM 784 CA ILE A 53 6.571 6.197 -8.063 1.00 0.00 C ATOM 785 C ILE A 53 6.575 4.775 -8.651 1.00 0.00 C ATOM 786 O ILE A 53 5.774 4.461 -9.532 1.00 0.00 O ATOM 787 CB ILE A 53 6.469 6.109 -6.487 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.085 5.513 -6.057 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.728 7.486 -5.828 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.892 5.352 -4.561 1.00 0.00 C ATOM 0 H ILE A 53 4.555 6.506 -8.595 1.00 0.00 H new ATOM 0 HA ILE A 53 7.499 6.701 -8.331 1.00 0.00 H new ATOM 0 HB ILE A 53 7.248 5.434 -6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.294 6.156 -6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.963 4.539 -6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.651 7.391 -4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.727 7.833 -6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.989 8.204 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.905 4.933 -4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.656 4.682 -4.166 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.976 6.325 -4.077 1.00 0.00 H new ATOM 802 N LYS A 54 7.514 3.940 -8.171 1.00 0.00 N ATOM 803 CA LYS A 54 7.507 2.492 -8.406 1.00 0.00 C ATOM 804 C LYS A 54 7.157 1.781 -7.092 1.00 0.00 C ATOM 805 O LYS A 54 7.922 1.860 -6.125 1.00 0.00 O ATOM 806 CB LYS A 54 8.878 1.998 -8.951 1.00 0.00 C ATOM 807 CG LYS A 54 8.956 0.462 -9.146 1.00 0.00 C ATOM 808 CD LYS A 54 10.317 -0.018 -9.700 1.00 0.00 C ATOM 809 CE LYS A 54 10.399 -1.552 -9.811 1.00 0.00 C ATOM 810 NZ LYS A 54 11.685 -2.006 -10.402 1.00 0.00 N ATOM 0 H LYS A 54 8.302 4.257 -7.606 1.00 0.00 H new ATOM 0 HA LYS A 54 6.759 2.258 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.077 2.487 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.665 2.308 -8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.768 -0.028 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.164 0.149 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.482 0.424 -10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.117 0.340 -9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.281 -1.993 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.573 -1.915 -10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.694 -3.045 -10.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.788 -1.608 -11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.474 -1.684 -9.806 1.00 0.00 H new ATOM 824 N LEU A 55 5.983 1.127 -7.048 1.00 0.00 N ATOM 825 CA LEU A 55 5.615 0.204 -5.968 1.00 0.00 C ATOM 826 C LEU A 55 5.773 -1.225 -6.531 1.00 0.00 C ATOM 827 O LEU A 55 4.868 -1.717 -7.227 1.00 0.00 O ATOM 828 CB LEU A 55 4.158 0.492 -5.447 1.00 0.00 C ATOM 829 CG LEU A 55 3.766 -0.131 -4.050 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.466 0.490 -3.499 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.650 -1.679 -4.075 1.00 0.00 C ATOM 0 H LEU A 55 5.263 1.226 -7.764 1.00 0.00 H new ATOM 0 HA LEU A 55 6.261 0.332 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.026 1.572 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.452 0.126 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 55 4.590 0.115 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.226 0.038 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.601 1.564 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.650 0.308 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.378 -2.040 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.884 -1.975 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.607 -2.111 -4.368 1.00 0.00 H new ATOM 843 N PRO A 56 6.935 -1.914 -6.283 1.00 0.00 N ATOM 844 CA PRO A 56 7.145 -3.285 -6.767 1.00 0.00 C ATOM 845 C PRO A 56 6.507 -4.317 -5.820 1.00 0.00 C ATOM 846 O PRO A 56 7.177 -4.897 -4.960 1.00 0.00 O ATOM 847 CB PRO A 56 8.690 -3.386 -6.822 1.00 0.00 C ATOM 848 CG PRO A 56 9.165 -2.514 -5.691 1.00 0.00 C ATOM 849 CD PRO A 56 8.122 -1.416 -5.526 1.00 0.00 C ATOM 0 HA PRO A 56 6.679 -3.494 -7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.025 -4.416 -6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.077 -3.039 -7.780 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.269 -3.092 -4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.144 -2.089 -5.913 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.882 -1.250 -4.476 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.478 -0.466 -5.925 1.00 0.00 H new ATOM 857 N LEU A 57 5.196 -4.556 -6.007 1.00 0.00 N ATOM 858 CA LEU A 57 4.432 -5.514 -5.185 1.00 0.00 C ATOM 859 C LEU A 57 4.955 -6.947 -5.410 1.00 0.00 C ATOM 860 O LEU A 57 4.904 -7.786 -4.512 1.00 0.00 O ATOM 861 CB LEU A 57 2.913 -5.448 -5.484 1.00 0.00 C ATOM 862 CG LEU A 57 2.028 -6.384 -4.599 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.164 -6.045 -3.093 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.564 -6.364 -5.061 1.00 0.00 C ATOM 0 H LEU A 57 4.639 -4.095 -6.726 1.00 0.00 H new ATOM 0 HA LEU A 57 4.576 -5.237 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.575 -4.420 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.752 -5.703 -6.531 1.00 0.00 H new ATOM 0 HG LEU A 57 2.395 -7.402 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.534 -6.717 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.203 -6.164 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.851 -5.015 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.027 -7.025 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.174 -5.349 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.504 -6.705 -6.095 1.00 0.00 H new ATOM 876 N GLU A 58 5.495 -7.179 -6.617 1.00 0.00 N ATOM 877 CA GLU A 58 6.141 -8.441 -7.009 1.00 0.00 C ATOM 878 C GLU A 58 7.288 -8.800 -6.042 1.00 0.00 C ATOM 879 O GLU A 58 7.493 -9.969 -5.715 1.00 0.00 O ATOM 880 CB GLU A 58 6.678 -8.310 -8.459 1.00 0.00 C ATOM 881 CG GLU A 58 7.773 -7.226 -8.649 1.00 0.00 C ATOM 882 CD GLU A 58 8.051 -6.856 -10.113 1.00 0.00 C ATOM 883 OE1 GLU A 58 8.742 -7.626 -10.818 1.00 0.00 O ATOM 884 OE2 GLU A 58 7.575 -5.789 -10.564 1.00 0.00 O ATOM 0 H GLU A 58 5.495 -6.482 -7.361 1.00 0.00 H new ATOM 0 HA GLU A 58 5.405 -9.244 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.081 -9.273 -8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.843 -8.084 -9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.475 -6.327 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.699 -7.578 -8.194 1.00 0.00 H new ATOM 891 N LYS A 59 8.023 -7.763 -5.597 1.00 0.00 N ATOM 892 CA LYS A 59 9.143 -7.886 -4.669 1.00 0.00 C ATOM 893 C LYS A 59 8.631 -8.005 -3.230 1.00 0.00 C ATOM 894 O LYS A 59 9.033 -8.908 -2.518 1.00 0.00 O ATOM 895 CB LYS A 59 10.097 -6.666 -4.811 1.00 0.00 C ATOM 896 CG LYS A 59 11.207 -6.617 -3.744 1.00 0.00 C ATOM 897 CD LYS A 59 12.246 -5.510 -3.990 1.00 0.00 C ATOM 898 CE LYS A 59 13.303 -5.462 -2.875 1.00 0.00 C ATOM 899 NZ LYS A 59 13.964 -6.782 -2.664 1.00 0.00 N ATOM 0 H LYS A 59 7.844 -6.801 -5.884 1.00 0.00 H new ATOM 0 HA LYS A 59 9.701 -8.790 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.557 -6.689 -5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.510 -5.749 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.752 -6.467 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.715 -7.581 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.736 -5.678 -4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.742 -4.546 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.058 -4.716 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.833 -5.141 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.779 -6.665 -2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.286 -7.446 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.289 -7.158 -3.578 1.00 0.00 H new ATOM 913 N TRP A 60 7.714 -7.094 -2.841 1.00 0.00 N ATOM 914 CA TRP A 60 7.198 -6.974 -1.451 1.00 0.00 C ATOM 915 C TRP A 60 6.536 -8.288 -0.992 1.00 0.00 C ATOM 916 O TRP A 60 6.746 -8.749 0.141 1.00 0.00 O ATOM 917 CB TRP A 60 6.194 -5.786 -1.346 1.00 0.00 C ATOM 918 CG TRP A 60 6.793 -4.407 -1.604 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.001 -4.114 -2.181 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.199 -3.142 -1.278 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.169 -2.761 -2.254 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.094 -2.145 -1.699 1.00 0.00 C ATOM 923 CE3 TRP A 60 5.004 -2.755 -0.668 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.838 -0.791 -1.548 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.750 -1.404 -0.513 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.666 -0.436 -0.950 1.00 0.00 C ATOM 0 H TRP A 60 7.305 -6.415 -3.483 1.00 0.00 H new ATOM 0 HA TRP A 60 8.042 -6.775 -0.790 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.384 -5.952 -2.056 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.751 -5.792 -0.350 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.715 -4.846 -2.527 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.975 -2.288 -2.661 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.294 -3.493 -0.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.541 -0.046 -1.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.828 -1.089 -0.046 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.438 0.610 -0.810 1.00 0.00 H new ATOM 937 N THR A 61 5.733 -8.869 -1.895 1.00 0.00 N ATOM 938 CA THR A 61 5.127 -10.191 -1.719 1.00 0.00 C ATOM 939 C THR A 61 6.195 -11.309 -1.685 1.00 0.00 C ATOM 940 O THR A 61 6.097 -12.224 -0.866 1.00 0.00 O ATOM 941 CB THR A 61 4.091 -10.480 -2.853 1.00 0.00 C ATOM 942 OG1 THR A 61 3.117 -9.421 -2.890 1.00 0.00 O ATOM 943 CG2 THR A 61 3.365 -11.828 -2.651 1.00 0.00 C ATOM 0 H THR A 61 5.485 -8.425 -2.779 1.00 0.00 H new ATOM 0 HA THR A 61 4.612 -10.185 -0.758 1.00 0.00 H new ATOM 0 HB THR A 61 4.639 -10.534 -3.794 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.245 -9.788 -3.145 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.656 -11.984 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.095 -12.637 -2.646 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.831 -11.815 -1.701 1.00 0.00 H new ATOM 951 N GLN A 62 7.229 -11.217 -2.555 1.00 0.00 N ATOM 952 CA GLN A 62 8.330 -12.211 -2.640 1.00 0.00 C ATOM 953 C GLN A 62 9.152 -12.258 -1.339 1.00 0.00 C ATOM 954 O GLN A 62 9.621 -13.327 -0.943 1.00 0.00 O ATOM 955 CB GLN A 62 9.251 -11.919 -3.870 1.00 0.00 C ATOM 956 CG GLN A 62 10.562 -12.747 -3.948 1.00 0.00 C ATOM 957 CD GLN A 62 10.361 -14.270 -3.934 1.00 0.00 C ATOM 958 OE1 GLN A 62 11.315 -14.994 -3.365 1.00 0.00 O flip ATOM 959 NE2 GLN A 62 9.359 -14.794 -4.416 1.00 0.00 N flip ATOM 0 H GLN A 62 7.325 -10.450 -3.220 1.00 0.00 H new ATOM 0 HA GLN A 62 7.876 -13.192 -2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.677 -12.097 -4.779 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.513 -10.861 -3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.095 -12.473 -4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.201 -12.471 -3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.639 -14.215 -4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.248 -15.807 -4.384 1.00 0.00 H new ATOM 968 N GLU A 63 9.296 -11.100 -0.674 1.00 0.00 N ATOM 969 CA GLU A 63 9.980 -11.007 0.623 1.00 0.00 C ATOM 970 C GLU A 63 9.278 -11.901 1.663 1.00 0.00 C ATOM 971 O GLU A 63 9.920 -12.553 2.475 1.00 0.00 O ATOM 972 CB GLU A 63 10.017 -9.542 1.125 1.00 0.00 C ATOM 973 CG GLU A 63 10.636 -8.513 0.154 1.00 0.00 C ATOM 974 CD GLU A 63 12.034 -8.886 -0.360 1.00 0.00 C ATOM 975 OE1 GLU A 63 12.976 -8.980 0.455 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.208 -9.050 -1.584 1.00 0.00 O ATOM 0 H GLU A 63 8.943 -10.207 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 63 11.005 -11.352 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.998 -9.230 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.576 -9.513 2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.969 -8.391 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.693 -7.547 0.656 1.00 0.00 H new ATOM 983 N VAL A 64 7.943 -11.938 1.597 1.00 0.00 N ATOM 984 CA VAL A 64 7.129 -12.814 2.459 1.00 0.00 C ATOM 985 C VAL A 64 7.282 -14.288 2.017 1.00 0.00 C ATOM 986 O VAL A 64 7.500 -15.178 2.850 1.00 0.00 O ATOM 987 CB VAL A 64 5.617 -12.406 2.444 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.800 -13.262 3.451 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.465 -10.885 2.700 1.00 0.00 C ATOM 0 H VAL A 64 7.396 -11.368 0.952 1.00 0.00 H new ATOM 0 HA VAL A 64 7.494 -12.700 3.480 1.00 0.00 H new ATOM 0 HB VAL A 64 5.207 -12.610 1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.753 -12.959 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.880 -14.315 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.192 -13.113 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.408 -10.618 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.890 -10.635 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.990 -10.331 1.922 1.00 0.00 H new ATOM 999 N ASN A 65 7.201 -14.499 0.685 1.00 0.00 N ATOM 1000 CA ASN A 65 7.296 -15.831 0.030 1.00 0.00 C ATOM 1001 C ASN A 65 8.633 -16.540 0.319 1.00 0.00 C ATOM 1002 O ASN A 65 8.696 -17.771 0.326 1.00 0.00 O ATOM 1003 CB ASN A 65 7.111 -15.706 -1.520 1.00 0.00 C ATOM 1004 CG ASN A 65 5.746 -15.160 -1.957 1.00 0.00 C ATOM 1005 OD1 ASN A 65 5.699 -14.520 -3.125 1.00 0.00 O flip ATOM 1006 ND2 ASN A 65 4.743 -15.327 -1.266 1.00 0.00 N flip ATOM 0 H ASN A 65 7.065 -13.738 0.019 1.00 0.00 H new ATOM 0 HA ASN A 65 6.493 -16.434 0.454 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.891 -15.055 -1.915 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.256 -16.688 -1.971 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.813 -15.821 -0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.841 -14.971 -1.582 1.00 0.00 H new ATOM 1013 N ASP A 66 9.699 -15.763 0.535 1.00 0.00 N ATOM 1014 CA ASP A 66 11.061 -16.288 0.767 1.00 0.00 C ATOM 1015 C ASP A 66 11.400 -16.308 2.280 1.00 0.00 C ATOM 1016 O ASP A 66 12.359 -16.965 2.696 1.00 0.00 O ATOM 1017 CB ASP A 66 12.081 -15.409 -0.019 1.00 0.00 C ATOM 1018 CG ASP A 66 13.430 -16.111 -0.269 1.00 0.00 C ATOM 1019 OD1 ASP A 66 14.348 -16.014 0.575 1.00 0.00 O ATOM 1020 OD2 ASP A 66 13.575 -16.771 -1.316 1.00 0.00 O ATOM 0 H ASP A 66 9.648 -14.744 0.555 1.00 0.00 H new ATOM 0 HA ASP A 66 11.116 -17.316 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.644 -15.127 -0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.257 -14.487 0.535 1.00 0.00 H new ATOM 1025 N GLY A 67 10.586 -15.601 3.091 1.00 0.00 N ATOM 1026 CA GLY A 67 10.842 -15.463 4.535 1.00 0.00 C ATOM 1027 C GLY A 67 11.829 -14.341 4.871 1.00 0.00 C ATOM 1028 O GLY A 67 12.408 -14.325 5.960 1.00 0.00 O ATOM 0 H GLY A 67 9.747 -15.118 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.899 -15.273 5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.230 -16.406 4.920 1.00 0.00 H new ATOM 1032 N LYS A 68 12.029 -13.416 3.922 1.00 0.00 N ATOM 1033 CA LYS A 68 12.832 -12.186 4.118 1.00 0.00 C ATOM 1034 C LYS A 68 12.105 -11.180 5.041 1.00 0.00 C ATOM 1035 O LYS A 68 12.753 -10.415 5.769 1.00 0.00 O ATOM 1036 CB LYS A 68 13.084 -11.503 2.752 1.00 0.00 C ATOM 1037 CG LYS A 68 13.882 -12.324 1.722 1.00 0.00 C ATOM 1038 CD LYS A 68 15.347 -12.556 2.140 1.00 0.00 C ATOM 1039 CE LYS A 68 16.177 -13.209 1.027 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.587 -13.390 1.441 1.00 0.00 N ATOM 0 H LYS A 68 11.636 -13.495 2.984 1.00 0.00 H new ATOM 0 HA LYS A 68 13.775 -12.476 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.120 -11.246 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.613 -10.567 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.394 -13.288 1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.861 -11.810 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.799 -11.603 2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.373 -13.188 3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.745 -14.176 0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.136 -12.591 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.122 -13.834 0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.005 -12.464 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.626 -14.000 2.283 1.00 0.00 H new ATOM 1054 N ALA A 69 10.759 -11.213 5.004 1.00 0.00 N ATOM 1055 CA ALA A 69 9.900 -10.195 5.639 1.00 0.00 C ATOM 1056 C ALA A 69 8.483 -10.740 5.882 1.00 0.00 C ATOM 1057 O ALA A 69 8.139 -11.838 5.434 1.00 0.00 O ATOM 1058 CB ALA A 69 9.846 -8.936 4.752 1.00 0.00 C ATOM 0 H ALA A 69 10.235 -11.949 4.531 1.00 0.00 H new ATOM 0 HA ALA A 69 10.328 -9.935 6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.211 -8.186 5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.852 -8.534 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.437 -9.196 3.776 1.00 0.00 H new ATOM 1064 N THR A 70 7.677 -9.943 6.604 1.00 0.00 N ATOM 1065 CA THR A 70 6.265 -10.255 6.904 1.00 0.00 C ATOM 1066 C THR A 70 5.326 -9.326 6.103 1.00 0.00 C ATOM 1067 O THR A 70 5.706 -8.204 5.733 1.00 0.00 O ATOM 1068 CB THR A 70 5.961 -10.123 8.442 1.00 0.00 C ATOM 1069 OG1 THR A 70 4.571 -10.375 8.709 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.340 -8.737 8.996 1.00 0.00 C ATOM 0 H THR A 70 7.988 -9.056 7.000 1.00 0.00 H new ATOM 0 HA THR A 70 6.086 -11.289 6.609 1.00 0.00 H new ATOM 0 HB THR A 70 6.575 -10.869 8.945 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.402 -10.290 9.671 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.111 -8.696 10.061 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.406 -8.565 8.847 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.772 -7.968 8.473 1.00 0.00 H new ATOM 1078 N THR A 71 4.102 -9.829 5.857 1.00 0.00 N ATOM 1079 CA THR A 71 3.017 -9.063 5.209 1.00 0.00 C ATOM 1080 C THR A 71 2.622 -7.833 6.045 1.00 0.00 C ATOM 1081 O THR A 71 2.157 -6.837 5.496 1.00 0.00 O ATOM 1082 CB THR A 71 1.745 -9.947 4.982 1.00 0.00 C ATOM 1083 OG1 THR A 71 1.368 -10.585 6.217 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.943 -10.995 3.885 1.00 0.00 C ATOM 0 H THR A 71 3.835 -10.782 6.103 1.00 0.00 H new ATOM 0 HA THR A 71 3.403 -8.736 4.244 1.00 0.00 H new ATOM 0 HB THR A 71 0.946 -9.285 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.571 -11.136 6.071 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.030 -11.579 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.176 -10.497 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.765 -11.657 4.158 1.00 0.00 H new ATOM 1092 N GLU A 72 2.805 -7.929 7.375 1.00 0.00 N ATOM 1093 CA GLU A 72 2.544 -6.826 8.313 1.00 0.00 C ATOM 1094 C GLU A 72 3.344 -5.556 7.938 1.00 0.00 C ATOM 1095 O GLU A 72 2.793 -4.452 7.905 1.00 0.00 O ATOM 1096 CB GLU A 72 2.889 -7.263 9.766 1.00 0.00 C ATOM 1097 CG GLU A 72 2.743 -6.150 10.827 1.00 0.00 C ATOM 1098 CD GLU A 72 3.102 -6.613 12.246 1.00 0.00 C ATOM 1099 OE1 GLU A 72 4.312 -6.699 12.559 1.00 0.00 O ATOM 1100 OE2 GLU A 72 2.184 -6.900 13.050 1.00 0.00 O ATOM 0 H GLU A 72 3.140 -8.779 7.829 1.00 0.00 H new ATOM 0 HA GLU A 72 1.483 -6.583 8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.244 -8.097 10.043 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.914 -7.633 9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.382 -5.311 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.716 -5.784 10.821 1.00 0.00 H new ATOM 1107 N GLN A 73 4.636 -5.735 7.614 1.00 0.00 N ATOM 1108 CA GLN A 73 5.559 -4.611 7.357 1.00 0.00 C ATOM 1109 C GLN A 73 5.160 -3.837 6.067 1.00 0.00 C ATOM 1110 O GLN A 73 5.520 -2.665 5.903 1.00 0.00 O ATOM 1111 CB GLN A 73 7.033 -5.132 7.319 1.00 0.00 C ATOM 1112 CG GLN A 73 8.130 -4.047 7.516 1.00 0.00 C ATOM 1113 CD GLN A 73 8.548 -3.302 6.241 1.00 0.00 C ATOM 1114 OE1 GLN A 73 8.852 -2.110 6.274 1.00 0.00 O ATOM 1115 NE2 GLN A 73 8.640 -4.013 5.128 1.00 0.00 N ATOM 0 H GLN A 73 5.069 -6.654 7.523 1.00 0.00 H new ATOM 0 HA GLN A 73 5.485 -3.893 8.174 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.153 -5.890 8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.201 -5.625 6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.771 -3.318 8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.012 -4.519 7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.381 -5.000 5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.970 -3.574 4.268 1.00 0.00 H new ATOM 1124 N TYR A 74 4.406 -4.501 5.175 1.00 0.00 N ATOM 1125 CA TYR A 74 3.908 -3.884 3.928 1.00 0.00 C ATOM 1126 C TYR A 74 2.411 -3.546 4.041 1.00 0.00 C ATOM 1127 O TYR A 74 2.052 -2.400 4.282 1.00 0.00 O ATOM 1128 CB TYR A 74 4.168 -4.831 2.724 1.00 0.00 C ATOM 1129 CG TYR A 74 5.623 -5.278 2.631 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.614 -4.388 2.218 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.011 -6.568 2.991 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.928 -4.772 2.168 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.331 -6.952 2.934 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.282 -6.051 2.523 1.00 0.00 C ATOM 1135 OH TYR A 74 9.599 -6.411 2.489 1.00 0.00 O ATOM 0 H TYR A 74 4.124 -5.474 5.294 1.00 0.00 H new ATOM 0 HA TYR A 74 4.449 -2.952 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.527 -5.709 2.812 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.888 -4.324 1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.342 -3.382 1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.265 -7.276 3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.685 -4.070 1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.617 -7.956 3.211 1.00 0.00 H new ATOM 0 HH TYR A 74 9.929 -6.532 3.404 1.00 0.00 H new ATOM 1145 N PHE A 75 1.565 -4.584 3.925 1.00 0.00 N ATOM 1146 CA PHE A 75 0.109 -4.481 3.689 1.00 0.00 C ATOM 1147 C PHE A 75 -0.684 -3.716 4.785 1.00 0.00 C ATOM 1148 O PHE A 75 -1.777 -3.221 4.494 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.475 -5.905 3.482 1.00 0.00 C ATOM 1150 CG PHE A 75 0.047 -6.643 2.240 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.262 -7.334 2.265 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.680 -6.647 1.050 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.731 -7.999 1.144 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.211 -7.314 -0.072 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.995 -7.988 -0.025 1.00 0.00 C ATOM 0 H PHE A 75 1.883 -5.551 3.995 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.012 -3.874 2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.252 -6.505 4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.560 -5.831 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.845 -7.350 3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.623 -6.123 1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.673 -8.526 1.184 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.789 -7.307 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.361 -8.505 -0.900 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.172 -3.639 6.042 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.798 -2.786 7.094 1.00 0.00 C ATOM 1167 C VAL A 76 -0.721 -1.313 6.648 1.00 0.00 C ATOM 1168 O VAL A 76 0.351 -0.846 6.352 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.116 -2.957 8.503 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.701 -1.986 9.556 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.226 -4.417 8.990 1.00 0.00 C ATOM 0 H VAL A 76 0.657 -4.146 6.350 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.835 -3.103 7.209 1.00 0.00 H new ATOM 0 HB VAL A 76 0.938 -2.706 8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.200 -2.141 10.512 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.547 -0.958 9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.768 -2.174 9.671 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.252 -4.512 9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.277 -4.695 9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.269 -5.077 8.277 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.853 -0.599 6.644 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.002 0.670 5.894 1.00 0.00 C ATOM 1183 C LEU A 77 -1.039 1.783 6.358 1.00 0.00 C ATOM 1184 O LEU A 77 -0.578 2.570 5.532 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.462 1.164 5.946 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.542 0.163 5.420 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -5.911 0.848 5.257 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.095 -0.531 4.115 1.00 0.00 C ATOM 0 H LEU A 77 -2.691 -0.876 7.155 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.730 0.443 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.702 1.418 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.535 2.084 5.366 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.653 -0.617 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.639 0.124 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.240 1.237 6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.825 1.669 4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.873 -1.218 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.921 0.220 3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.174 -1.086 4.295 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.772 1.865 7.677 1.00 0.00 N ATOM 1201 CA LYS A 78 0.231 2.817 8.227 1.00 0.00 C ATOM 1202 C LYS A 78 1.679 2.434 7.806 1.00 0.00 C ATOM 1203 O LYS A 78 2.510 3.317 7.546 1.00 0.00 O ATOM 1204 CB LYS A 78 0.115 2.923 9.776 1.00 0.00 C ATOM 1205 CG LYS A 78 0.293 1.584 10.535 1.00 0.00 C ATOM 1206 CD LYS A 78 0.117 1.729 12.065 1.00 0.00 C ATOM 1207 CE LYS A 78 0.139 0.372 12.797 1.00 0.00 C ATOM 1208 NZ LYS A 78 1.447 -0.334 12.674 1.00 0.00 N ATOM 0 H LYS A 78 -1.231 1.289 8.383 1.00 0.00 H new ATOM 0 HA LYS A 78 0.013 3.797 7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.863 3.630 10.135 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.861 3.339 10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.430 0.860 10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.284 1.183 10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.911 2.363 12.460 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.827 2.234 12.272 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.084 0.531 13.852 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.650 -0.264 12.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.353 -1.305 13.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.733 -0.363 11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.168 0.172 13.226 1.00 0.00 H new ATOM 1222 N ASN A 79 1.952 1.124 7.728 1.00 0.00 N ATOM 1223 CA ASN A 79 3.270 0.576 7.321 1.00 0.00 C ATOM 1224 C ASN A 79 3.495 0.777 5.813 1.00 0.00 C ATOM 1225 O ASN A 79 4.580 1.163 5.376 1.00 0.00 O ATOM 1226 CB ASN A 79 3.340 -0.939 7.686 1.00 0.00 C ATOM 1227 CG ASN A 79 3.276 -1.231 9.191 1.00 0.00 C ATOM 1228 OD1 ASN A 79 2.717 -0.466 9.973 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.827 -2.355 9.611 1.00 0.00 N ATOM 0 H ASN A 79 1.264 0.403 7.946 1.00 0.00 H new ATOM 0 HA ASN A 79 4.057 1.108 7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.518 -1.458 7.192 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.265 -1.354 7.286 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.793 -2.601 10.600 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.287 -2.977 8.946 1.00 0.00 H new ATOM 1236 N LEU A 80 2.450 0.466 5.046 1.00 0.00 N ATOM 1237 CA LEU A 80 2.321 0.735 3.610 1.00 0.00 C ATOM 1238 C LEU A 80 2.557 2.219 3.296 1.00 0.00 C ATOM 1239 O LEU A 80 3.319 2.562 2.391 1.00 0.00 O ATOM 1240 CB LEU A 80 0.891 0.310 3.167 1.00 0.00 C ATOM 1241 CG LEU A 80 0.515 0.497 1.671 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.458 -0.300 0.745 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -0.971 0.121 1.444 1.00 0.00 C ATOM 0 H LEU A 80 1.628 -0.004 5.426 1.00 0.00 H new ATOM 0 HA LEU A 80 3.075 0.167 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.761 -0.743 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.173 0.870 3.766 1.00 0.00 H new ATOM 0 HG LEU A 80 0.642 1.548 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.165 -0.145 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.483 0.043 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.393 -1.361 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.224 0.256 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.130 -0.920 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.606 0.763 2.055 1.00 0.00 H new ATOM 1255 N ALA A 81 1.914 3.085 4.101 1.00 0.00 N ATOM 1256 CA ALA A 81 2.035 4.548 3.982 1.00 0.00 C ATOM 1257 C ALA A 81 3.472 5.011 4.270 1.00 0.00 C ATOM 1258 O ALA A 81 3.908 6.008 3.725 1.00 0.00 O ATOM 1259 CB ALA A 81 1.047 5.246 4.931 1.00 0.00 C ATOM 0 H ALA A 81 1.294 2.788 4.854 1.00 0.00 H new ATOM 0 HA ALA A 81 1.791 4.824 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.149 6.327 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.029 4.952 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.262 4.955 5.959 1.00 0.00 H new ATOM 1265 N ALA A 82 4.176 4.270 5.141 1.00 0.00 N ATOM 1266 CA ALA A 82 5.587 4.550 5.482 1.00 0.00 C ATOM 1267 C ALA A 82 6.527 4.147 4.322 1.00 0.00 C ATOM 1268 O ALA A 82 7.480 4.871 4.001 1.00 0.00 O ATOM 1269 CB ALA A 82 5.967 3.825 6.780 1.00 0.00 C ATOM 0 H ALA A 82 3.788 3.462 5.629 1.00 0.00 H new ATOM 0 HA ALA A 82 5.702 5.623 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.008 4.037 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.327 4.172 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.837 2.751 6.648 1.00 0.00 H new ATOM 1275 N ARG A 83 6.251 2.977 3.711 1.00 0.00 N ATOM 1276 CA ARG A 83 6.979 2.471 2.524 1.00 0.00 C ATOM 1277 C ARG A 83 6.875 3.446 1.330 1.00 0.00 C ATOM 1278 O ARG A 83 7.872 3.786 0.698 1.00 0.00 O ATOM 1279 CB ARG A 83 6.424 1.079 2.106 1.00 0.00 C ATOM 1280 CG ARG A 83 6.660 -0.071 3.115 1.00 0.00 C ATOM 1281 CD ARG A 83 8.157 -0.279 3.416 1.00 0.00 C ATOM 1282 NE ARG A 83 8.964 -0.460 2.182 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.067 0.241 1.851 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.515 1.226 2.615 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.707 -0.031 0.727 1.00 0.00 N ATOM 0 H ARG A 83 5.511 2.350 4.028 1.00 0.00 H new ATOM 0 HA ARG A 83 8.030 2.382 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.352 1.173 1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.875 0.800 1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.131 0.147 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.239 -0.994 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.536 0.579 3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.278 -1.152 4.057 1.00 0.00 H new ATOM 0 HE ARG A 83 8.656 -1.179 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.023 1.469 3.475 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.352 1.742 2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.366 -0.770 0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.542 0.498 0.475 1.00 0.00 H new ATOM 1299 N ILE A 84 5.643 3.885 1.067 1.00 0.00 N ATOM 1300 CA ILE A 84 5.310 4.802 -0.038 1.00 0.00 C ATOM 1301 C ILE A 84 5.850 6.215 0.244 1.00 0.00 C ATOM 1302 O ILE A 84 6.311 6.905 -0.670 1.00 0.00 O ATOM 1303 CB ILE A 84 3.758 4.804 -0.262 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.308 3.379 -0.719 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.288 5.902 -1.255 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.816 3.157 -0.717 1.00 0.00 C ATOM 0 H ILE A 84 4.832 3.612 1.622 1.00 0.00 H new ATOM 0 HA ILE A 84 5.789 4.457 -0.954 1.00 0.00 H new ATOM 0 HB ILE A 84 3.279 5.052 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.687 3.199 -1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.772 2.640 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.205 5.851 -1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.568 6.883 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.761 5.743 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.599 2.141 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.428 3.301 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.341 3.868 -1.393 1.00 0.00 H new ATOM 1318 N ASP A 85 5.768 6.633 1.521 1.00 0.00 N ATOM 1319 CA ASP A 85 6.430 7.859 2.027 1.00 0.00 C ATOM 1320 C ASP A 85 7.945 7.859 1.716 1.00 0.00 C ATOM 1321 O ASP A 85 8.513 8.898 1.385 1.00 0.00 O ATOM 1322 CB ASP A 85 6.189 8.000 3.551 1.00 0.00 C ATOM 1323 CG ASP A 85 6.640 9.346 4.141 1.00 0.00 C ATOM 1324 OD1 ASP A 85 5.838 10.308 4.138 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.796 9.458 4.607 1.00 0.00 O ATOM 0 H ASP A 85 5.241 6.132 2.236 1.00 0.00 H new ATOM 0 HA ASP A 85 5.991 8.715 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.126 7.866 3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.715 7.196 4.066 1.00 0.00 H new ATOM 1330 N GLU A 86 8.572 6.677 1.809 1.00 0.00 N ATOM 1331 CA GLU A 86 10.005 6.523 1.482 1.00 0.00 C ATOM 1332 C GLU A 86 10.245 6.612 -0.050 1.00 0.00 C ATOM 1333 O GLU A 86 11.264 7.152 -0.493 1.00 0.00 O ATOM 1334 CB GLU A 86 10.553 5.186 2.026 1.00 0.00 C ATOM 1335 CG GLU A 86 12.077 5.020 1.867 1.00 0.00 C ATOM 1336 CD GLU A 86 12.592 3.655 2.336 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.714 3.446 3.562 1.00 0.00 O ATOM 1338 OE2 GLU A 86 12.849 2.775 1.486 1.00 0.00 O ATOM 0 H GLU A 86 8.115 5.815 2.106 1.00 0.00 H new ATOM 0 HA GLU A 86 10.540 7.342 1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.298 5.104 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.053 4.365 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.343 5.160 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.581 5.804 2.432 1.00 0.00 H new ATOM 1345 N LEU A 87 9.316 6.039 -0.841 1.00 0.00 N ATOM 1346 CA LEU A 87 9.372 6.067 -2.326 1.00 0.00 C ATOM 1347 C LEU A 87 9.225 7.513 -2.884 1.00 0.00 C ATOM 1348 O LEU A 87 9.918 7.890 -3.839 1.00 0.00 O ATOM 1349 CB LEU A 87 8.283 5.121 -2.915 1.00 0.00 C ATOM 1350 CG LEU A 87 8.400 3.610 -2.518 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.183 2.793 -3.012 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.732 2.997 -3.015 1.00 0.00 C ATOM 0 H LEU A 87 8.504 5.543 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 87 10.354 5.709 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.305 5.485 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.315 5.194 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 87 8.401 3.561 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.301 1.750 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.271 3.194 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.118 2.858 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.781 1.948 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.785 3.074 -4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.569 3.537 -2.571 1.00 0.00 H new ATOM 1364 N VAL A 88 8.317 8.314 -2.281 1.00 0.00 N ATOM 1365 CA VAL A 88 8.133 9.745 -2.647 1.00 0.00 C ATOM 1366 C VAL A 88 9.237 10.628 -2.010 1.00 0.00 C ATOM 1367 O VAL A 88 9.484 11.750 -2.458 1.00 0.00 O ATOM 1368 CB VAL A 88 6.697 10.296 -2.272 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.581 9.460 -2.950 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.485 10.368 -0.740 1.00 0.00 C ATOM 0 H VAL A 88 7.697 7.996 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 88 8.220 9.798 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 88 6.636 11.315 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.606 9.862 -2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.699 9.506 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.652 8.423 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.487 10.751 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.589 9.371 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.229 11.032 -0.300 1.00 0.00 H new ATOM 1380 N ALA A 89 9.878 10.119 -0.940 1.00 0.00 N ATOM 1381 CA ALA A 89 11.069 10.775 -0.360 1.00 0.00 C ATOM 1382 C ALA A 89 12.270 10.628 -1.316 1.00 0.00 C ATOM 1383 O ALA A 89 13.067 11.558 -1.473 1.00 0.00 O ATOM 1384 CB ALA A 89 11.411 10.197 1.020 1.00 0.00 C ATOM 0 H ALA A 89 9.595 9.263 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 89 10.843 11.833 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.292 10.702 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.570 10.348 1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.615 9.130 0.927 1.00 0.00 H new ATOM 1390 N ALA A 90 12.375 9.426 -1.930 1.00 0.00 N ATOM 1391 CA ALA A 90 13.430 9.076 -2.910 1.00 0.00 C ATOM 1392 C ALA A 90 13.551 10.098 -4.061 1.00 0.00 C ATOM 1393 O ALA A 90 14.662 10.514 -4.388 1.00 0.00 O ATOM 1394 CB ALA A 90 13.187 7.666 -3.473 1.00 0.00 C ATOM 0 H ALA A 90 11.721 8.663 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 90 14.377 9.099 -2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.969 7.421 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.203 6.941 -2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.216 7.634 -3.968 1.00 0.00 H new