USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 367 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 40 SER OG : rot 115:sc= 1.08 USER MOD Set 1.2: A 46 ASN : amide:sc= -9.09! C(o=-8!,f=-10!) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.1!) USER MOD Single : A 11 GLN : amide:sc=-0.00797 X(o=-0.008,f=-0.073) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -79:sc= 0.857 USER MOD Single : A 17 HIS : no HD1:sc= -0.985 X(o=-0.99,f=-0.87) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 72:sc= 0.64 USER MOD Single : A 35 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.32) USER MOD Single : A 36 LYS NZ :NH3+ 143:sc= -1.33 (180deg=-4.68!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -8.06! C(o=-8.1!,f=-8.4!) USER MOD Single : A 44 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.17) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.978 2.827 -22.450 1.00 0.00 N ATOM 2 CA ARG A 1 4.258 3.957 -23.013 1.00 0.00 C ATOM 3 C ARG A 1 2.921 4.146 -22.294 1.00 0.00 C ATOM 4 O ARG A 1 1.982 3.381 -22.508 1.00 0.00 O ATOM 5 CB ARG A 1 4.000 3.756 -24.508 1.00 0.00 C ATOM 6 CG ARG A 1 3.399 5.015 -25.134 1.00 0.00 C ATOM 7 CD ARG A 1 1.943 4.784 -25.540 1.00 0.00 C ATOM 8 NE ARG A 1 1.801 4.909 -27.009 1.00 0.00 N ATOM 9 CZ ARG A 1 1.970 6.055 -27.685 1.00 0.00 C ATOM 10 NH1 ARG A 1 2.287 7.179 -27.029 1.00 0.00 N ATOM 11 NH2 ARG A 1 1.821 6.074 -29.016 1.00 0.00 N ATOM 0 H1 ARG A 1 5.884 2.710 -22.947 1.00 0.00 H new ATOM 0 H2 ARG A 1 5.157 2.998 -21.440 1.00 0.00 H new ATOM 0 H3 ARG A 1 4.409 1.963 -22.559 1.00 0.00 H new ATOM 0 HA ARG A 1 4.876 4.844 -22.878 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.934 3.505 -25.011 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.323 2.914 -24.654 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.456 5.841 -24.425 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.982 5.305 -26.008 1.00 0.00 H new ATOM 0 HD2 ARG A 1 1.620 3.794 -25.218 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.298 5.508 -25.041 1.00 0.00 H new ATOM 0 HE ARG A 1 1.560 4.072 -27.539 1.00 0.00 H new ATOM 0 HH11 ARG A 1 2.400 7.163 -26.015 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.416 8.051 -27.543 1.00 0.00 H new ATOM 0 HH21 ARG A 1 1.579 5.218 -29.514 1.00 0.00 H new ATOM 0 HH22 ARG A 1 1.949 6.945 -29.531 1.00 0.00 H new ATOM 22 N ILE A 2 2.878 5.168 -21.453 1.00 0.00 N ATOM 23 CA ILE A 2 1.672 5.469 -20.700 1.00 0.00 C ATOM 24 C ILE A 2 0.830 6.484 -21.476 1.00 0.00 C ATOM 25 O ILE A 2 -0.230 6.145 -22.000 1.00 0.00 O ATOM 26 CB ILE A 2 2.024 5.919 -19.280 1.00 0.00 C ATOM 27 CG1 ILE A 2 2.986 4.932 -18.615 1.00 0.00 C ATOM 28 CG2 ILE A 2 0.761 6.140 -18.446 1.00 0.00 C ATOM 29 CD1 ILE A 2 4.433 5.224 -19.015 1.00 0.00 C ATOM 0 H ILE A 2 3.660 5.799 -21.276 1.00 0.00 H new ATOM 0 HA ILE A 2 1.063 4.572 -20.583 1.00 0.00 H new ATOM 0 HB ILE A 2 2.539 6.877 -19.343 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.885 4.994 -17.531 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.724 3.914 -18.902 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.039 6.459 -17.442 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.146 6.909 -18.914 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.196 5.210 -18.388 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.096 4.509 -18.529 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.536 5.137 -20.097 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.699 6.234 -18.705 1.00 0.00 H new ATOM 40 N TYR A 3 1.334 7.708 -21.525 1.00 0.00 N ATOM 41 CA TYR A 3 0.642 8.775 -22.228 1.00 0.00 C ATOM 42 C TYR A 3 -0.582 9.247 -21.440 1.00 0.00 C ATOM 43 O TYR A 3 -0.750 10.442 -21.205 1.00 0.00 O ATOM 44 CB TYR A 3 0.178 8.173 -23.555 1.00 0.00 C ATOM 45 CG TYR A 3 0.008 9.198 -24.678 1.00 0.00 C ATOM 46 CD1 TYR A 3 1.075 9.987 -25.058 1.00 0.00 C ATOM 47 CD2 TYR A 3 -1.211 9.332 -25.312 1.00 0.00 C ATOM 48 CE1 TYR A 3 0.915 10.952 -26.115 1.00 0.00 C ATOM 49 CE2 TYR A 3 -1.369 10.298 -26.369 1.00 0.00 C ATOM 50 CZ TYR A 3 -0.299 11.060 -26.718 1.00 0.00 C ATOM 51 OH TYR A 3 -0.449 11.971 -27.716 1.00 0.00 O ATOM 0 H TYR A 3 2.214 7.985 -21.089 1.00 0.00 H new ATOM 0 HA TYR A 3 1.299 9.634 -22.365 1.00 0.00 H new ATOM 0 HB2 TYR A 3 0.898 7.419 -23.872 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -0.771 7.661 -23.398 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.029 9.881 -24.563 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.045 8.713 -25.016 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.741 11.576 -26.422 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.317 10.414 -26.873 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.368 11.937 -28.055 1.00 0.00 H new ATOM 60 N LYS A 4 -1.406 8.283 -21.055 1.00 0.00 N ATOM 61 CA LYS A 4 -2.609 8.585 -20.299 1.00 0.00 C ATOM 62 C LYS A 4 -2.317 9.722 -19.316 1.00 0.00 C ATOM 63 O LYS A 4 -3.194 10.532 -19.021 1.00 0.00 O ATOM 64 CB LYS A 4 -3.154 7.321 -19.631 1.00 0.00 C ATOM 65 CG LYS A 4 -2.608 7.172 -18.210 1.00 0.00 C ATOM 66 CD LYS A 4 -3.235 5.966 -17.506 1.00 0.00 C ATOM 67 CE LYS A 4 -4.270 6.413 -16.471 1.00 0.00 C ATOM 68 NZ LYS A 4 -5.543 5.683 -16.663 1.00 0.00 N ATOM 0 H LYS A 4 -1.264 7.292 -21.253 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.399 8.933 -20.965 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.243 7.361 -19.604 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.882 6.447 -20.222 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.525 7.056 -18.243 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.814 8.078 -17.640 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.708 5.316 -18.242 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.456 5.380 -17.018 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.889 6.233 -15.466 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.442 7.486 -16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.234 5.998 -15.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.913 5.875 -17.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.377 4.662 -16.556 1.00 0.00 H new ATOM 78 N GLY A 5 -1.081 9.745 -18.837 1.00 0.00 N ATOM 79 CA GLY A 5 -0.664 10.767 -17.895 1.00 0.00 C ATOM 80 C GLY A 5 0.497 10.274 -17.028 1.00 0.00 C ATOM 81 O GLY A 5 1.354 11.058 -16.625 1.00 0.00 O ATOM 0 H GLY A 5 -0.356 9.072 -19.085 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.363 11.664 -18.436 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.505 11.045 -17.259 1.00 0.00 H new ATOM 85 N VAL A 6 0.487 8.975 -16.767 1.00 0.00 N ATOM 86 CA VAL A 6 1.529 8.367 -15.956 1.00 0.00 C ATOM 87 C VAL A 6 1.292 8.715 -14.485 1.00 0.00 C ATOM 88 O VAL A 6 0.154 8.708 -14.018 1.00 0.00 O ATOM 89 CB VAL A 6 2.906 8.803 -16.460 1.00 0.00 C ATOM 90 CG1 VAL A 6 3.974 7.768 -16.101 1.00 0.00 C ATOM 91 CG2 VAL A 6 2.881 9.066 -17.966 1.00 0.00 C ATOM 0 H VAL A 6 -0.226 8.327 -17.102 1.00 0.00 H new ATOM 0 HA VAL A 6 1.496 7.281 -16.042 1.00 0.00 H new ATOM 0 HB VAL A 6 3.165 9.737 -15.962 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.943 8.102 -16.471 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.019 7.652 -15.018 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.722 6.811 -16.558 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.872 9.374 -18.298 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.590 8.155 -18.490 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.163 9.856 -18.186 1.00 0.00 H new ATOM 101 N ILE A 7 2.384 9.010 -13.797 1.00 0.00 N ATOM 102 CA ILE A 7 2.309 9.360 -12.388 1.00 0.00 C ATOM 103 C ILE A 7 2.483 10.873 -12.233 1.00 0.00 C ATOM 104 O ILE A 7 1.702 11.523 -11.541 1.00 0.00 O ATOM 105 CB ILE A 7 3.315 8.539 -11.578 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.550 8.203 -12.416 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.658 7.285 -10.999 1.00 0.00 C ATOM 108 CD1 ILE A 7 5.584 7.438 -11.588 1.00 0.00 C ATOM 0 H ILE A 7 3.326 9.014 -14.188 1.00 0.00 H new ATOM 0 HA ILE A 7 1.328 9.108 -11.984 1.00 0.00 H new ATOM 0 HB ILE A 7 3.652 9.145 -10.737 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.256 7.606 -13.279 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.994 9.121 -12.800 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.394 6.719 -10.428 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.835 7.574 -10.345 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.275 6.667 -11.811 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.451 7.212 -12.208 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.894 8.048 -10.739 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.145 6.508 -11.226 1.00 0.00 H new ATOM 119 N GLN A 8 3.512 11.388 -12.889 1.00 0.00 N ATOM 120 CA GLN A 8 3.799 12.811 -12.832 1.00 0.00 C ATOM 121 C GLN A 8 2.584 13.616 -13.298 1.00 0.00 C ATOM 122 O GLN A 8 2.408 14.767 -12.901 1.00 0.00 O ATOM 123 CB GLN A 8 5.036 13.155 -13.665 1.00 0.00 C ATOM 124 CG GLN A 8 4.872 12.684 -15.111 1.00 0.00 C ATOM 125 CD GLN A 8 5.482 13.690 -16.088 1.00 0.00 C ATOM 126 OE1 GLN A 8 6.111 14.664 -15.705 1.00 0.00 O ATOM 127 NE2 GLN A 8 5.263 13.403 -17.368 1.00 0.00 N ATOM 0 H GLN A 8 4.157 10.845 -13.463 1.00 0.00 H new ATOM 0 HA GLN A 8 4.013 13.078 -11.797 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.203 14.232 -13.646 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.917 12.688 -13.224 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.351 11.713 -15.237 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.814 12.549 -15.336 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.728 12.572 -17.620 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.630 14.014 -18.098 1.00 0.00 H new ATOM 134 N ALA A 9 1.777 12.978 -14.134 1.00 0.00 N ATOM 135 CA ALA A 9 0.584 13.621 -14.658 1.00 0.00 C ATOM 136 C ALA A 9 -0.137 14.351 -13.523 1.00 0.00 C ATOM 137 O ALA A 9 -0.792 15.367 -13.751 1.00 0.00 O ATOM 138 CB ALA A 9 -0.304 12.575 -15.334 1.00 0.00 C ATOM 0 H ALA A 9 1.926 12.023 -14.461 1.00 0.00 H new ATOM 0 HA ALA A 9 0.847 14.362 -15.412 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.199 13.057 -15.727 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.244 12.106 -16.151 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.591 11.816 -14.606 1.00 0.00 H new ATOM 144 N ILE A 10 0.008 13.806 -12.324 1.00 0.00 N ATOM 145 CA ILE A 10 -0.621 14.393 -11.154 1.00 0.00 C ATOM 146 C ILE A 10 -0.326 15.894 -11.121 1.00 0.00 C ATOM 147 O ILE A 10 -1.064 16.661 -10.505 1.00 0.00 O ATOM 148 CB ILE A 10 -0.189 13.654 -9.886 1.00 0.00 C ATOM 149 CG1 ILE A 10 -1.073 12.429 -9.637 1.00 0.00 C ATOM 150 CG2 ILE A 10 -0.164 14.597 -8.682 1.00 0.00 C ATOM 151 CD1 ILE A 10 -0.318 11.135 -9.947 1.00 0.00 C ATOM 0 H ILE A 10 0.552 12.964 -12.138 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.704 14.281 -11.207 1.00 0.00 H new ATOM 0 HB ILE A 10 0.829 13.293 -10.032 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.405 12.421 -8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.967 12.490 -10.257 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.146 14.046 -7.794 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.539 15.408 -8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.160 15.010 -8.523 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.969 10.281 -9.762 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.009 11.136 -10.992 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.563 11.066 -9.308 1.00 0.00 H new ATOM 162 N GLN A 11 0.754 16.267 -11.790 1.00 0.00 N ATOM 163 CA GLN A 11 1.156 17.663 -11.845 1.00 0.00 C ATOM 164 C GLN A 11 -0.057 18.553 -12.124 1.00 0.00 C ATOM 165 O GLN A 11 -0.081 19.718 -11.727 1.00 0.00 O ATOM 166 CB GLN A 11 2.248 17.878 -12.895 1.00 0.00 C ATOM 167 CG GLN A 11 3.288 18.888 -12.405 1.00 0.00 C ATOM 168 CD GLN A 11 4.667 18.239 -12.282 1.00 0.00 C ATOM 169 OE1 GLN A 11 4.837 17.190 -11.682 1.00 0.00 O ATOM 170 NE2 GLN A 11 5.641 18.919 -12.881 1.00 0.00 N ATOM 0 H GLN A 11 1.364 15.627 -12.299 1.00 0.00 H new ATOM 0 HA GLN A 11 1.571 17.941 -10.876 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.735 16.929 -13.118 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.800 18.233 -13.823 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.338 19.728 -13.097 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.983 19.289 -11.438 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.430 19.791 -13.366 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.598 18.568 -12.855 1.00 0.00 H new ATOM 177 N LYS A 12 -1.034 17.972 -12.805 1.00 0.00 N ATOM 178 CA LYS A 12 -2.246 18.698 -13.142 1.00 0.00 C ATOM 179 C LYS A 12 -2.756 19.435 -11.901 1.00 0.00 C ATOM 180 O LYS A 12 -3.350 20.506 -12.012 1.00 0.00 O ATOM 181 CB LYS A 12 -3.278 17.758 -13.767 1.00 0.00 C ATOM 182 CG LYS A 12 -3.414 16.472 -12.947 1.00 0.00 C ATOM 183 CD LYS A 12 -4.351 16.680 -11.754 1.00 0.00 C ATOM 184 CE LYS A 12 -5.769 16.210 -12.083 1.00 0.00 C ATOM 185 NZ LYS A 12 -6.565 16.058 -10.843 1.00 0.00 N ATOM 0 H LYS A 12 -1.010 17.006 -13.132 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.039 19.454 -13.899 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.244 18.260 -13.826 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.982 17.514 -14.787 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.797 15.671 -13.580 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.433 16.156 -12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.974 16.132 -10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.368 17.735 -11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.252 16.928 -12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.729 15.260 -12.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.525 15.738 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.112 15.356 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.618 16.972 -10.350 1.00 0.00 H new ATOM 195 N SER A 13 -2.505 18.830 -10.750 1.00 0.00 N ATOM 196 CA SER A 13 -2.931 19.416 -9.490 1.00 0.00 C ATOM 197 C SER A 13 -2.213 20.748 -9.262 1.00 0.00 C ATOM 198 O SER A 13 -2.794 21.684 -8.714 1.00 0.00 O ATOM 199 CB SER A 13 -2.664 18.464 -8.322 1.00 0.00 C ATOM 200 OG SER A 13 -1.399 17.819 -8.437 1.00 0.00 O ATOM 0 H SER A 13 -2.013 17.941 -10.663 1.00 0.00 H new ATOM 0 HA SER A 13 -4.005 19.594 -9.542 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.704 19.020 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.452 17.712 -8.280 1.00 0.00 H new ATOM 0 HG SER A 13 -1.464 17.083 -9.081 1.00 0.00 H new ATOM 205 N ASP A 14 -0.961 20.791 -9.694 1.00 0.00 N ATOM 206 CA ASP A 14 -0.159 21.992 -9.544 1.00 0.00 C ATOM 207 C ASP A 14 -0.620 23.039 -10.561 1.00 0.00 C ATOM 208 O ASP A 14 -0.648 24.231 -10.260 1.00 0.00 O ATOM 209 CB ASP A 14 1.321 21.703 -9.803 1.00 0.00 C ATOM 210 CG ASP A 14 2.040 20.952 -8.680 1.00 0.00 C ATOM 211 OD1 ASP A 14 1.542 21.031 -7.536 1.00 0.00 O ATOM 212 OD2 ASP A 14 3.070 20.317 -8.990 1.00 0.00 O ATOM 0 H ASP A 14 -0.483 20.013 -10.148 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.283 22.354 -8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.407 21.122 -10.721 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.836 22.648 -9.975 1.00 0.00 H new ATOM 216 N GLU A 15 -0.971 22.554 -11.743 1.00 0.00 N ATOM 217 CA GLU A 15 -1.431 23.433 -12.805 1.00 0.00 C ATOM 218 C GLU A 15 -2.932 23.690 -12.669 1.00 0.00 C ATOM 219 O GLU A 15 -3.500 24.485 -13.417 1.00 0.00 O ATOM 220 CB GLU A 15 -1.096 22.852 -14.181 1.00 0.00 C ATOM 221 CG GLU A 15 -2.211 21.925 -14.669 1.00 0.00 C ATOM 222 CD GLU A 15 -3.096 22.629 -15.701 1.00 0.00 C ATOM 223 OE1 GLU A 15 -2.534 23.052 -16.735 1.00 0.00 O ATOM 224 OE2 GLU A 15 -4.312 22.729 -15.432 1.00 0.00 O ATOM 0 H GLU A 15 -0.946 21.564 -11.989 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.910 24.386 -12.713 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.952 23.662 -14.897 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.157 22.301 -14.129 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.776 21.027 -15.109 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.818 21.603 -13.823 1.00 0.00 H new ATOM 229 N GLY A 16 -3.533 23.003 -11.709 1.00 0.00 N ATOM 230 CA GLY A 16 -4.958 23.148 -11.465 1.00 0.00 C ATOM 231 C GLY A 16 -5.340 24.619 -11.296 1.00 0.00 C ATOM 232 O GLY A 16 -5.656 25.299 -12.271 1.00 0.00 O ATOM 0 H GLY A 16 -3.059 22.344 -11.091 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.518 22.717 -12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.235 22.592 -10.570 1.00 0.00 H new ATOM 236 N HIS A 17 -5.296 25.070 -10.050 1.00 0.00 N ATOM 237 CA HIS A 17 -5.633 26.448 -9.740 1.00 0.00 C ATOM 238 C HIS A 17 -5.845 26.598 -8.232 1.00 0.00 C ATOM 239 O HIS A 17 -5.188 27.414 -7.588 1.00 0.00 O ATOM 240 CB HIS A 17 -6.841 26.909 -10.557 1.00 0.00 C ATOM 241 CG HIS A 17 -6.507 27.912 -11.636 1.00 0.00 C ATOM 242 ND1 HIS A 17 -7.357 28.186 -12.693 1.00 0.00 N ATOM 243 CD2 HIS A 17 -5.409 28.702 -11.809 1.00 0.00 C ATOM 244 CE1 HIS A 17 -6.785 29.101 -13.462 1.00 0.00 C ATOM 245 NE2 HIS A 17 -5.577 29.418 -12.913 1.00 0.00 N ATOM 0 H HIS A 17 -5.032 24.504 -9.244 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.807 27.100 -10.022 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.309 26.039 -11.017 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.577 27.348 -9.883 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.548 28.739 -11.158 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.202 29.522 -14.365 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -4.912 30.094 -13.289 1.00 0.00 H new ATOM 253 N PRO A 18 -6.790 25.778 -7.701 1.00 0.00 N ATOM 254 CA PRO A 18 -7.096 25.811 -6.280 1.00 0.00 C ATOM 255 C PRO A 18 -5.995 25.129 -5.465 1.00 0.00 C ATOM 256 O PRO A 18 -4.887 24.929 -5.959 1.00 0.00 O ATOM 257 CB PRO A 18 -8.444 25.120 -6.152 1.00 0.00 C ATOM 258 CG PRO A 18 -8.624 24.318 -7.430 1.00 0.00 C ATOM 259 CD PRO A 18 -7.589 24.799 -8.433 1.00 0.00 C ATOM 0 HA PRO A 18 -7.144 26.825 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.469 24.471 -5.277 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.246 25.848 -6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.498 23.253 -7.233 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.631 24.452 -7.826 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.973 23.975 -8.793 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.062 25.248 -9.306 1.00 0.00 H new ATOM 264 N PHE A 19 -6.340 24.792 -4.231 1.00 0.00 N ATOM 265 CA PHE A 19 -5.395 24.137 -3.343 1.00 0.00 C ATOM 266 C PHE A 19 -6.059 23.758 -2.018 1.00 0.00 C ATOM 267 O PHE A 19 -5.771 22.704 -1.454 1.00 0.00 O ATOM 268 CB PHE A 19 -4.271 25.138 -3.068 1.00 0.00 C ATOM 269 CG PHE A 19 -3.136 24.579 -2.209 1.00 0.00 C ATOM 270 CD1 PHE A 19 -2.296 23.639 -2.720 1.00 0.00 C ATOM 271 CD2 PHE A 19 -2.965 25.023 -0.935 1.00 0.00 C ATOM 272 CE1 PHE A 19 -1.242 23.119 -1.923 1.00 0.00 C ATOM 273 CE2 PHE A 19 -1.910 24.503 -0.137 1.00 0.00 C ATOM 274 CZ PHE A 19 -1.072 23.563 -0.649 1.00 0.00 C ATOM 0 H PHE A 19 -7.261 24.960 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.022 23.223 -3.806 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.860 25.477 -4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.691 26.013 -2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.431 23.288 -3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.631 25.771 -0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.576 22.372 -2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.774 24.854 0.875 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.270 23.168 -0.043 1.00 0.00 H new ATOM 283 N ARG A 20 -6.936 24.639 -1.559 1.00 0.00 N ATOM 284 CA ARG A 20 -7.644 24.411 -0.311 1.00 0.00 C ATOM 285 C ARG A 20 -8.737 23.359 -0.507 1.00 0.00 C ATOM 286 O ARG A 20 -8.874 22.443 0.303 1.00 0.00 O ATOM 287 CB ARG A 20 -8.277 25.704 0.209 1.00 0.00 C ATOM 288 CG ARG A 20 -7.643 26.929 -0.455 1.00 0.00 C ATOM 289 CD ARG A 20 -8.421 27.341 -1.705 1.00 0.00 C ATOM 290 NE ARG A 20 -7.574 28.186 -2.574 1.00 0.00 N ATOM 291 CZ ARG A 20 -7.300 29.475 -2.333 1.00 0.00 C ATOM 292 NH1 ARG A 20 -7.806 30.076 -1.247 1.00 0.00 N ATOM 293 NH2 ARG A 20 -6.520 30.164 -3.177 1.00 0.00 N ATOM 0 H ARG A 20 -7.172 25.513 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.919 24.056 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.349 25.693 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.152 25.766 1.290 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.619 27.758 0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.610 26.708 -0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.745 26.454 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.321 27.886 -1.420 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.173 27.761 -3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.400 29.552 -0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.597 31.057 -1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.135 29.707 -4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.312 31.145 -2.993 1.00 0.00 H new ATOM 304 N ALA A 21 -9.489 23.526 -1.585 1.00 0.00 N ATOM 305 CA ALA A 21 -10.566 22.602 -1.896 1.00 0.00 C ATOM 306 C ALA A 21 -10.004 21.182 -1.989 1.00 0.00 C ATOM 307 O ALA A 21 -10.676 20.219 -1.623 1.00 0.00 O ATOM 308 CB ALA A 21 -11.258 23.040 -3.189 1.00 0.00 C ATOM 0 H ALA A 21 -9.374 24.287 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.316 22.609 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.066 22.347 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.666 24.043 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.536 23.043 -4.005 1.00 0.00 H new ATOM 314 N TYR A 22 -8.776 21.097 -2.480 1.00 0.00 N ATOM 315 CA TYR A 22 -8.116 19.810 -2.626 1.00 0.00 C ATOM 316 C TYR A 22 -7.615 19.296 -1.275 1.00 0.00 C ATOM 317 O TYR A 22 -7.624 18.092 -1.023 1.00 0.00 O ATOM 318 CB TYR A 22 -6.916 20.055 -3.542 1.00 0.00 C ATOM 319 CG TYR A 22 -7.246 19.981 -5.034 1.00 0.00 C ATOM 320 CD1 TYR A 22 -7.951 18.904 -5.533 1.00 0.00 C ATOM 321 CD2 TYR A 22 -6.839 20.991 -5.882 1.00 0.00 C ATOM 322 CE1 TYR A 22 -8.263 18.835 -6.937 1.00 0.00 C ATOM 323 CE2 TYR A 22 -7.152 20.922 -7.286 1.00 0.00 C ATOM 324 CZ TYR A 22 -7.848 19.847 -7.744 1.00 0.00 C ATOM 325 OH TYR A 22 -8.141 19.782 -9.070 1.00 0.00 O ATOM 0 H TYR A 22 -8.221 21.898 -2.782 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.805 19.067 -3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.498 21.037 -3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.143 19.321 -3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.269 18.113 -4.870 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.286 21.833 -5.493 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.814 17.998 -7.340 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.841 21.706 -7.960 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.783 20.574 -9.523 1.00 0.00 H new ATOM 334 N LEU A 23 -7.190 20.234 -0.441 1.00 0.00 N ATOM 335 CA LEU A 23 -6.686 19.890 0.878 1.00 0.00 C ATOM 336 C LEU A 23 -7.742 19.073 1.626 1.00 0.00 C ATOM 337 O LEU A 23 -7.433 18.032 2.203 1.00 0.00 O ATOM 338 CB LEU A 23 -6.239 21.148 1.625 1.00 0.00 C ATOM 339 CG LEU A 23 -6.662 21.242 3.093 1.00 0.00 C ATOM 340 CD1 LEU A 23 -5.588 21.939 3.930 1.00 0.00 C ATOM 341 CD2 LEU A 23 -8.025 21.924 3.227 1.00 0.00 C ATOM 0 H LEU A 23 -7.184 21.232 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.798 19.264 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.152 21.209 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.631 22.018 1.098 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.768 20.230 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.914 21.992 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.657 21.375 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.426 22.947 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.303 21.978 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.970 22.931 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.775 21.349 2.683 1.00 0.00 H new ATOM 352 N GLU A 24 -8.967 19.576 1.591 1.00 0.00 N ATOM 353 CA GLU A 24 -10.071 18.905 2.258 1.00 0.00 C ATOM 354 C GLU A 24 -10.157 17.447 1.806 1.00 0.00 C ATOM 355 O GLU A 24 -10.638 16.591 2.547 1.00 0.00 O ATOM 356 CB GLU A 24 -11.391 19.637 2.004 1.00 0.00 C ATOM 357 CG GLU A 24 -12.234 19.704 3.278 1.00 0.00 C ATOM 358 CD GLU A 24 -12.518 21.155 3.673 1.00 0.00 C ATOM 359 OE1 GLU A 24 -11.598 21.777 4.246 1.00 0.00 O ATOM 360 OE2 GLU A 24 -13.649 21.608 3.394 1.00 0.00 O ATOM 0 H GLU A 24 -9.220 20.440 1.111 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.885 18.921 3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.188 20.646 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.950 19.125 1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.174 19.175 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.712 19.198 4.090 1.00 0.00 H new ATOM 365 N SER A 25 -9.682 17.207 0.592 1.00 0.00 N ATOM 366 CA SER A 25 -9.699 15.866 0.033 1.00 0.00 C ATOM 367 C SER A 25 -8.993 14.895 0.980 1.00 0.00 C ATOM 368 O SER A 25 -9.188 13.683 0.892 1.00 0.00 O ATOM 369 CB SER A 25 -9.039 15.837 -1.346 1.00 0.00 C ATOM 370 OG SER A 25 -9.510 14.751 -2.141 1.00 0.00 O ATOM 0 H SER A 25 -9.283 17.919 -0.020 1.00 0.00 H new ATOM 0 HA SER A 25 -10.738 15.557 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.236 16.776 -1.862 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.958 15.759 -1.229 1.00 0.00 H new ATOM 0 HG SER A 25 -9.066 14.768 -3.014 1.00 0.00 H new ATOM 375 N GLU A 26 -8.187 15.463 1.866 1.00 0.00 N ATOM 376 CA GLU A 26 -7.449 14.662 2.829 1.00 0.00 C ATOM 377 C GLU A 26 -8.415 13.841 3.685 1.00 0.00 C ATOM 378 O GLU A 26 -8.194 12.652 3.910 1.00 0.00 O ATOM 379 CB GLU A 26 -6.554 15.542 3.702 1.00 0.00 C ATOM 380 CG GLU A 26 -7.377 16.598 4.441 1.00 0.00 C ATOM 381 CD GLU A 26 -6.550 17.861 4.693 1.00 0.00 C ATOM 382 OE1 GLU A 26 -5.336 17.813 4.397 1.00 0.00 O ATOM 383 OE2 GLU A 26 -7.150 18.847 5.173 1.00 0.00 O ATOM 0 H GLU A 26 -8.029 16.468 1.937 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.803 13.974 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.020 14.922 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.802 16.030 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.262 16.849 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.727 16.193 5.390 1.00 0.00 H new ATOM 388 N VAL A 27 -9.466 14.507 4.140 1.00 0.00 N ATOM 389 CA VAL A 27 -10.467 13.855 4.966 1.00 0.00 C ATOM 390 C VAL A 27 -11.317 12.928 4.095 1.00 0.00 C ATOM 391 O VAL A 27 -11.754 11.872 4.549 1.00 0.00 O ATOM 392 CB VAL A 27 -11.296 14.903 5.710 1.00 0.00 C ATOM 393 CG1 VAL A 27 -10.454 15.619 6.768 1.00 0.00 C ATOM 394 CG2 VAL A 27 -11.917 15.904 4.734 1.00 0.00 C ATOM 0 H VAL A 27 -9.646 15.493 3.952 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.990 13.238 5.727 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.108 14.386 6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.068 16.359 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.081 14.892 7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.612 16.117 6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.501 16.638 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.126 16.412 4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.566 15.376 4.036 1.00 0.00 H new ATOM 404 N ALA A 28 -11.525 13.357 2.859 1.00 0.00 N ATOM 405 CA ALA A 28 -12.315 12.579 1.920 1.00 0.00 C ATOM 406 C ALA A 28 -11.632 11.232 1.680 1.00 0.00 C ATOM 407 O ALA A 28 -12.300 10.206 1.555 1.00 0.00 O ATOM 408 CB ALA A 28 -12.503 13.376 0.628 1.00 0.00 C ATOM 0 H ALA A 28 -11.160 14.233 2.486 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.306 12.378 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.096 12.792 -0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.018 14.311 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.529 13.594 0.190 1.00 0.00 H new ATOM 414 N ILE A 29 -10.309 11.277 1.622 1.00 0.00 N ATOM 415 CA ILE A 29 -9.528 10.072 1.398 1.00 0.00 C ATOM 416 C ILE A 29 -9.432 9.282 2.705 1.00 0.00 C ATOM 417 O ILE A 29 -9.401 8.052 2.691 1.00 0.00 O ATOM 418 CB ILE A 29 -8.168 10.420 0.789 1.00 0.00 C ATOM 419 CG1 ILE A 29 -7.342 11.279 1.748 1.00 0.00 C ATOM 420 CG2 ILE A 29 -8.334 11.085 -0.579 1.00 0.00 C ATOM 421 CD1 ILE A 29 -5.883 11.359 1.294 1.00 0.00 C ATOM 0 H ILE A 29 -9.758 12.129 1.726 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.022 9.428 0.670 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.617 9.493 0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.766 12.282 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.392 10.859 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.353 11.322 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.855 10.405 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.913 12.002 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.318 11.975 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.455 10.357 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.835 11.802 0.299 1.00 0.00 H new ATOM 432 N SER A 30 -9.387 10.021 3.804 1.00 0.00 N ATOM 433 CA SER A 30 -9.295 9.405 5.117 1.00 0.00 C ATOM 434 C SER A 30 -10.426 8.391 5.299 1.00 0.00 C ATOM 435 O SER A 30 -10.253 7.378 5.974 1.00 0.00 O ATOM 436 CB SER A 30 -9.344 10.458 6.225 1.00 0.00 C ATOM 437 OG SER A 30 -8.095 11.126 6.381 1.00 0.00 O ATOM 0 H SER A 30 -9.413 11.041 3.812 1.00 0.00 H new ATOM 0 HA SER A 30 -8.337 8.889 5.186 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.120 11.189 5.997 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.621 9.982 7.166 1.00 0.00 H new ATOM 0 HG SER A 30 -7.947 11.725 5.620 1.00 0.00 H new ATOM 442 N GLU A 31 -11.559 8.699 4.685 1.00 0.00 N ATOM 443 CA GLU A 31 -12.718 7.827 4.771 1.00 0.00 C ATOM 444 C GLU A 31 -12.467 6.531 3.997 1.00 0.00 C ATOM 445 O GLU A 31 -12.693 5.439 4.517 1.00 0.00 O ATOM 446 CB GLU A 31 -13.975 8.534 4.261 1.00 0.00 C ATOM 447 CG GLU A 31 -15.004 7.524 3.750 1.00 0.00 C ATOM 448 CD GLU A 31 -16.287 8.226 3.302 1.00 0.00 C ATOM 449 OE1 GLU A 31 -16.157 9.257 2.606 1.00 0.00 O ATOM 450 OE2 GLU A 31 -17.369 7.717 3.666 1.00 0.00 O ATOM 0 H GLU A 31 -11.699 9.540 4.126 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.881 7.576 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.412 9.130 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.709 9.224 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.583 6.961 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.234 6.805 4.536 1.00 0.00 H new ATOM 455 N GLU A 32 -12.002 6.694 2.767 1.00 0.00 N ATOM 456 CA GLU A 32 -11.717 5.551 1.917 1.00 0.00 C ATOM 457 C GLU A 32 -10.459 4.829 2.403 1.00 0.00 C ATOM 458 O GLU A 32 -10.445 3.603 2.506 1.00 0.00 O ATOM 459 CB GLU A 32 -11.573 5.978 0.455 1.00 0.00 C ATOM 460 CG GLU A 32 -12.491 5.154 -0.450 1.00 0.00 C ATOM 461 CD GLU A 32 -11.950 3.735 -0.634 1.00 0.00 C ATOM 462 OE1 GLU A 32 -12.085 2.947 0.327 1.00 0.00 O ATOM 463 OE2 GLU A 32 -11.415 3.469 -1.732 1.00 0.00 O ATOM 0 H GLU A 32 -11.816 7.601 2.339 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.557 4.859 1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.814 7.036 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.538 5.856 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.491 5.113 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.583 5.641 -1.421 1.00 0.00 H new ATOM 468 N LEU A 33 -9.435 5.618 2.689 1.00 0.00 N ATOM 469 CA LEU A 33 -8.176 5.068 3.162 1.00 0.00 C ATOM 470 C LEU A 33 -8.452 4.055 4.275 1.00 0.00 C ATOM 471 O LEU A 33 -8.081 2.888 4.163 1.00 0.00 O ATOM 472 CB LEU A 33 -7.223 6.191 3.576 1.00 0.00 C ATOM 473 CG LEU A 33 -5.860 5.750 4.116 1.00 0.00 C ATOM 474 CD1 LEU A 33 -5.825 5.832 5.643 1.00 0.00 C ATOM 475 CD2 LEU A 33 -5.494 4.354 3.608 1.00 0.00 C ATOM 0 H LEU A 33 -9.451 6.634 2.602 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.670 4.531 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.058 6.837 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.715 6.796 4.338 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.103 6.438 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.846 5.514 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.010 6.859 5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.594 5.181 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.521 4.065 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.248 3.638 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.452 4.363 2.519 1.00 0.00 H new ATOM 486 N VAL A 34 -9.101 4.539 5.324 1.00 0.00 N ATOM 487 CA VAL A 34 -9.431 3.690 6.456 1.00 0.00 C ATOM 488 C VAL A 34 -10.244 2.490 5.968 1.00 0.00 C ATOM 489 O VAL A 34 -10.072 1.377 6.464 1.00 0.00 O ATOM 490 CB VAL A 34 -10.157 4.507 7.527 1.00 0.00 C ATOM 491 CG1 VAL A 34 -9.363 5.764 7.892 1.00 0.00 C ATOM 492 CG2 VAL A 34 -11.575 4.866 7.077 1.00 0.00 C ATOM 0 H VAL A 34 -9.407 5.508 5.414 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.524 3.302 6.920 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.236 3.889 8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.902 6.326 8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.384 5.477 8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.237 6.385 7.005 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -12.068 5.446 7.857 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.528 5.455 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -12.140 3.953 6.892 1.00 0.00 H new ATOM 502 N GLN A 35 -11.110 2.755 5.002 1.00 0.00 N ATOM 503 CA GLN A 35 -11.949 1.709 4.441 1.00 0.00 C ATOM 504 C GLN A 35 -11.086 0.637 3.774 1.00 0.00 C ATOM 505 O GLN A 35 -11.495 -0.518 3.670 1.00 0.00 O ATOM 506 CB GLN A 35 -12.962 2.290 3.452 1.00 0.00 C ATOM 507 CG GLN A 35 -14.329 2.475 4.114 1.00 0.00 C ATOM 508 CD GLN A 35 -14.925 1.128 4.528 1.00 0.00 C ATOM 509 OE1 GLN A 35 -15.059 0.813 5.699 1.00 0.00 O ATOM 510 NE2 GLN A 35 -15.272 0.352 3.505 1.00 0.00 N ATOM 0 H GLN A 35 -11.249 3.679 4.593 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.508 1.245 5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.602 3.249 3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.057 1.628 2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.229 3.117 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.006 2.979 3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.133 0.677 2.548 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.677 -0.568 3.677 1.00 0.00 H new ATOM 517 N LYS A 36 -9.906 1.057 3.340 1.00 0.00 N ATOM 518 CA LYS A 36 -8.982 0.147 2.686 1.00 0.00 C ATOM 519 C LYS A 36 -8.609 -0.978 3.655 1.00 0.00 C ATOM 520 O LYS A 36 -8.329 -2.098 3.233 1.00 0.00 O ATOM 521 CB LYS A 36 -7.776 0.911 2.138 1.00 0.00 C ATOM 522 CG LYS A 36 -8.218 2.031 1.194 1.00 0.00 C ATOM 523 CD LYS A 36 -7.083 2.434 0.250 1.00 0.00 C ATOM 524 CE LYS A 36 -7.591 2.583 -1.186 1.00 0.00 C ATOM 525 NZ LYS A 36 -6.641 1.966 -2.138 1.00 0.00 N ATOM 0 H LYS A 36 -9.569 2.016 3.429 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.454 -0.320 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.202 1.332 2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.116 0.224 1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.080 1.702 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.537 2.896 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.644 3.374 0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.293 1.684 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.569 2.112 -1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.720 3.639 -1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.169 1.511 -2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.018 2.700 -2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.068 1.253 -1.643 1.00 0.00 H new ATOM 535 N TYR A 37 -8.618 -0.639 4.935 1.00 0.00 N ATOM 536 CA TYR A 37 -8.285 -1.606 5.968 1.00 0.00 C ATOM 537 C TYR A 37 -8.908 -2.969 5.664 1.00 0.00 C ATOM 538 O TYR A 37 -8.388 -4.002 6.084 1.00 0.00 O ATOM 539 CB TYR A 37 -8.886 -1.062 7.265 1.00 0.00 C ATOM 540 CG TYR A 37 -8.477 -1.843 8.516 1.00 0.00 C ATOM 541 CD1 TYR A 37 -7.168 -1.811 8.952 1.00 0.00 C ATOM 542 CD2 TYR A 37 -9.417 -2.580 9.207 1.00 0.00 C ATOM 543 CE1 TYR A 37 -6.783 -2.546 10.129 1.00 0.00 C ATOM 544 CE2 TYR A 37 -9.032 -3.315 10.384 1.00 0.00 C ATOM 545 CZ TYR A 37 -7.734 -3.262 10.787 1.00 0.00 C ATOM 546 OH TYR A 37 -7.370 -3.956 11.898 1.00 0.00 O ATOM 0 H TYR A 37 -8.851 0.292 5.281 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.205 -1.742 6.032 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.585 -0.021 7.384 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -9.973 -1.072 7.182 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.432 -1.235 8.411 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -10.441 -2.606 8.865 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.762 -2.529 10.481 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.758 -3.895 10.934 1.00 0.00 H new ATOM 0 HH TYR A 37 -8.152 -4.419 12.265 1.00 0.00 H new ATOM 555 N SER A 38 -10.015 -2.930 4.935 1.00 0.00 N ATOM 556 CA SER A 38 -10.715 -4.150 4.571 1.00 0.00 C ATOM 557 C SER A 38 -9.762 -5.104 3.849 1.00 0.00 C ATOM 558 O SER A 38 -9.832 -6.318 4.038 1.00 0.00 O ATOM 559 CB SER A 38 -11.929 -3.845 3.689 1.00 0.00 C ATOM 560 OG SER A 38 -13.079 -4.584 4.091 1.00 0.00 O ATOM 0 H SER A 38 -10.444 -2.072 4.587 1.00 0.00 H new ATOM 0 HA SER A 38 -11.072 -4.626 5.484 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.150 -2.778 3.732 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.692 -4.080 2.651 1.00 0.00 H new ATOM 0 HG SER A 38 -13.832 -4.361 3.505 1.00 0.00 H new ATOM 565 N ASN A 39 -8.892 -4.520 3.038 1.00 0.00 N ATOM 566 CA ASN A 39 -7.926 -5.304 2.288 1.00 0.00 C ATOM 567 C ASN A 39 -7.165 -6.221 3.247 1.00 0.00 C ATOM 568 O ASN A 39 -6.742 -7.311 2.865 1.00 0.00 O ATOM 569 CB ASN A 39 -6.908 -4.400 1.589 1.00 0.00 C ATOM 570 CG ASN A 39 -7.350 -4.079 0.160 1.00 0.00 C ATOM 571 OD1 ASN A 39 -7.860 -4.918 -0.563 1.00 0.00 O ATOM 572 ND2 ASN A 39 -7.124 -2.819 -0.205 1.00 0.00 N ATOM 0 H ASN A 39 -8.836 -3.513 2.884 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.468 -5.882 1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.790 -3.475 2.153 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.934 -4.889 1.571 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.382 -2.505 -1.141 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.693 -2.168 0.451 1.00 0.00 H new ATOM 578 N SER A 40 -7.013 -5.746 4.474 1.00 0.00 N ATOM 579 CA SER A 40 -6.310 -6.509 5.490 1.00 0.00 C ATOM 580 C SER A 40 -7.003 -7.857 5.706 1.00 0.00 C ATOM 581 O SER A 40 -6.441 -8.755 6.330 1.00 0.00 O ATOM 582 CB SER A 40 -6.235 -5.735 6.808 1.00 0.00 C ATOM 583 OG SER A 40 -4.989 -5.929 7.471 1.00 0.00 O ATOM 0 H SER A 40 -7.365 -4.841 4.787 1.00 0.00 H new ATOM 0 HA SER A 40 -5.291 -6.682 5.143 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.380 -4.672 6.613 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.047 -6.053 7.462 1.00 0.00 H new ATOM 0 HG SER A 40 -4.498 -5.082 7.499 1.00 0.00 H new ATOM 588 N ALA A 41 -8.214 -7.954 5.177 1.00 0.00 N ATOM 589 CA ALA A 41 -8.990 -9.176 5.304 1.00 0.00 C ATOM 590 C ALA A 41 -8.206 -10.338 4.690 1.00 0.00 C ATOM 591 O ALA A 41 -8.247 -11.457 5.200 1.00 0.00 O ATOM 592 CB ALA A 41 -10.357 -8.983 4.646 1.00 0.00 C ATOM 0 H ALA A 41 -8.677 -7.207 4.660 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.164 -9.413 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.939 -9.900 4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.885 -8.165 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.223 -8.746 3.590 1.00 0.00 H new ATOM 598 N LEU A 42 -7.512 -10.033 3.603 1.00 0.00 N ATOM 599 CA LEU A 42 -6.720 -11.039 2.915 1.00 0.00 C ATOM 600 C LEU A 42 -5.259 -10.921 3.355 1.00 0.00 C ATOM 601 O LEU A 42 -4.541 -11.918 3.407 1.00 0.00 O ATOM 602 CB LEU A 42 -6.917 -10.931 1.401 1.00 0.00 C ATOM 603 CG LEU A 42 -6.524 -9.595 0.767 1.00 0.00 C ATOM 604 CD1 LEU A 42 -5.659 -9.812 -0.477 1.00 0.00 C ATOM 605 CD2 LEU A 42 -7.761 -8.747 0.465 1.00 0.00 C ATOM 0 H LEU A 42 -7.482 -9.104 3.182 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.055 -12.040 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.339 -11.722 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.966 -11.122 1.177 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.921 -9.040 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.393 -8.847 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.751 -10.348 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.216 -10.396 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.454 -7.803 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.410 -9.284 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.301 -8.549 1.391 1.00 0.00 H new ATOM 616 N GLY A 43 -4.864 -9.694 3.660 1.00 0.00 N ATOM 617 CA GLY A 43 -3.502 -9.433 4.094 1.00 0.00 C ATOM 618 C GLY A 43 -2.563 -9.290 2.894 1.00 0.00 C ATOM 619 O GLY A 43 -1.367 -9.051 3.063 1.00 0.00 O ATOM 0 H GLY A 43 -5.463 -8.870 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.475 -8.522 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.158 -10.245 4.735 1.00 0.00 H new ATOM 623 N HIS A 44 -3.138 -9.441 1.711 1.00 0.00 N ATOM 624 CA HIS A 44 -2.367 -9.333 0.484 1.00 0.00 C ATOM 625 C HIS A 44 -2.721 -8.026 -0.229 1.00 0.00 C ATOM 626 O HIS A 44 -3.209 -8.044 -1.359 1.00 0.00 O ATOM 627 CB HIS A 44 -2.573 -10.565 -0.398 1.00 0.00 C ATOM 628 CG HIS A 44 -1.339 -11.421 -0.554 1.00 0.00 C ATOM 629 ND1 HIS A 44 -1.178 -12.324 -1.591 1.00 0.00 N ATOM 630 CD2 HIS A 44 -0.210 -11.503 0.207 1.00 0.00 C ATOM 631 CE1 HIS A 44 -0.002 -12.918 -1.450 1.00 0.00 C ATOM 632 NE2 HIS A 44 0.597 -12.409 -0.335 1.00 0.00 N ATOM 0 H HIS A 44 -4.130 -9.637 1.575 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.303 -9.302 0.719 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.373 -11.172 0.025 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.906 -10.242 -1.384 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.006 -10.929 1.099 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.410 -13.673 -2.103 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.513 -12.679 0.023 1.00 0.00 H new ATOM 640 N VAL A 45 -2.462 -6.923 0.458 1.00 0.00 N ATOM 641 CA VAL A 45 -2.747 -5.611 -0.096 1.00 0.00 C ATOM 642 C VAL A 45 -2.573 -4.552 0.996 1.00 0.00 C ATOM 643 O VAL A 45 -1.963 -3.510 0.763 1.00 0.00 O ATOM 644 CB VAL A 45 -4.142 -5.600 -0.723 1.00 0.00 C ATOM 645 CG1 VAL A 45 -5.099 -6.510 0.051 1.00 0.00 C ATOM 646 CG2 VAL A 45 -4.692 -4.175 -0.810 1.00 0.00 C ATOM 0 H VAL A 45 -2.057 -6.911 1.394 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.045 -5.373 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.056 -5.989 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.084 -6.484 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.719 -7.532 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.177 -6.164 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.685 -4.195 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.755 -3.748 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.028 -3.566 -1.423 1.00 0.00 H new ATOM 656 N ASN A 46 -3.121 -4.858 2.164 1.00 0.00 N ATOM 657 CA ASN A 46 -3.034 -3.945 3.291 1.00 0.00 C ATOM 658 C ASN A 46 -1.601 -3.423 3.410 1.00 0.00 C ATOM 659 O ASN A 46 -1.385 -2.278 3.804 1.00 0.00 O ATOM 660 CB ASN A 46 -3.390 -4.653 4.600 1.00 0.00 C ATOM 661 CG ASN A 46 -4.512 -3.918 5.334 1.00 0.00 C ATOM 662 OD1 ASN A 46 -4.442 -3.650 6.522 1.00 0.00 O ATOM 663 ND2 ASN A 46 -5.551 -3.607 4.562 1.00 0.00 N ATOM 0 H ASN A 46 -3.626 -5.724 2.353 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.735 -3.129 3.119 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.698 -5.678 4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.508 -4.709 5.239 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.352 -3.115 4.958 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.546 -3.861 3.574 1.00 0.00 H new ATOM 669 N CYS A 47 -0.660 -4.287 3.062 1.00 0.00 N ATOM 670 CA CYS A 47 0.746 -3.927 3.124 1.00 0.00 C ATOM 671 C CYS A 47 0.964 -2.685 2.258 1.00 0.00 C ATOM 672 O CYS A 47 1.662 -1.756 2.663 1.00 0.00 O ATOM 673 CB CYS A 47 1.647 -5.086 2.695 1.00 0.00 C ATOM 674 SG CYS A 47 2.287 -5.962 4.168 1.00 0.00 S ATOM 0 H CYS A 47 -0.843 -5.236 2.736 1.00 0.00 H new ATOM 0 HA CYS A 47 1.020 -3.702 4.155 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.088 -5.778 2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.477 -4.710 2.097 1.00 0.00 H new ATOM 0 HG CYS A 47 3.049 -6.946 3.791 1.00 0.00 H new ATOM 679 N THR A 48 0.353 -2.707 1.083 1.00 0.00 N ATOM 680 CA THR A 48 0.470 -1.595 0.156 1.00 0.00 C ATOM 681 C THR A 48 -0.367 -0.409 0.638 1.00 0.00 C ATOM 682 O THR A 48 0.013 0.744 0.443 1.00 0.00 O ATOM 683 CB THR A 48 0.072 -2.093 -1.235 1.00 0.00 C ATOM 684 OG1 THR A 48 1.315 -2.375 -1.871 1.00 0.00 O ATOM 685 CG2 THR A 48 -0.546 -0.991 -2.097 1.00 0.00 C ATOM 0 H THR A 48 -0.226 -3.479 0.751 1.00 0.00 H new ATOM 0 HA THR A 48 1.496 -1.230 0.105 1.00 0.00 H new ATOM 0 HB THR A 48 -0.636 -2.916 -1.137 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.150 -2.705 -2.779 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.810 -1.398 -3.073 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.442 -0.607 -1.609 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.173 -0.182 -2.224 1.00 0.00 H new ATOM 693 N ILE A 49 -1.492 -0.733 1.260 1.00 0.00 N ATOM 694 CA ILE A 49 -2.385 0.291 1.772 1.00 0.00 C ATOM 695 C ILE A 49 -1.627 1.177 2.761 1.00 0.00 C ATOM 696 O ILE A 49 -1.897 2.373 2.864 1.00 0.00 O ATOM 697 CB ILE A 49 -3.648 -0.344 2.360 1.00 0.00 C ATOM 698 CG1 ILE A 49 -4.378 -1.183 1.309 1.00 0.00 C ATOM 699 CG2 ILE A 49 -4.559 0.719 2.979 1.00 0.00 C ATOM 700 CD1 ILE A 49 -4.107 -0.655 -0.101 1.00 0.00 C ATOM 0 H ILE A 49 -1.805 -1.691 1.420 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.726 0.936 0.962 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.350 -1.019 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.056 -2.222 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.450 -1.168 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.449 0.241 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.025 1.237 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.853 1.437 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.638 -1.270 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.453 0.376 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.037 -0.695 -0.305 1.00 0.00 H new ATOM 711 N LYS A 50 -0.690 0.557 3.464 1.00 0.00 N ATOM 712 CA LYS A 50 0.111 1.275 4.441 1.00 0.00 C ATOM 713 C LYS A 50 0.690 2.534 3.794 1.00 0.00 C ATOM 714 O LYS A 50 0.815 3.570 4.445 1.00 0.00 O ATOM 715 CB LYS A 50 1.171 0.352 5.047 1.00 0.00 C ATOM 716 CG LYS A 50 2.377 0.217 4.116 1.00 0.00 C ATOM 717 CD LYS A 50 3.427 1.287 4.420 1.00 0.00 C ATOM 718 CE LYS A 50 4.838 0.695 4.389 1.00 0.00 C ATOM 719 NZ LYS A 50 5.339 0.475 5.763 1.00 0.00 N ATOM 0 H LYS A 50 -0.468 -0.435 3.376 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.509 1.602 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.493 0.746 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.739 -0.631 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.819 -0.773 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.052 0.305 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.351 2.094 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.233 1.724 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.831 -0.248 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.509 1.367 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.297 0.073 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.365 1.381 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.708 -0.184 6.261 1.00 0.00 H new ATOM 729 N GLU A 51 1.029 2.404 2.519 1.00 0.00 N ATOM 730 CA GLU A 51 1.592 3.518 1.776 1.00 0.00 C ATOM 731 C GLU A 51 0.548 4.623 1.604 1.00 0.00 C ATOM 732 O GLU A 51 0.877 5.807 1.653 1.00 0.00 O ATOM 733 CB GLU A 51 2.131 3.058 0.421 1.00 0.00 C ATOM 734 CG GLU A 51 2.966 1.784 0.568 1.00 0.00 C ATOM 735 CD GLU A 51 4.068 1.726 -0.492 1.00 0.00 C ATOM 736 OE1 GLU A 51 5.049 2.485 -0.332 1.00 0.00 O ATOM 737 OE2 GLU A 51 3.906 0.925 -1.436 1.00 0.00 O ATOM 0 H GLU A 51 0.924 1.543 1.982 1.00 0.00 H new ATOM 0 HA GLU A 51 2.430 3.921 2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.301 2.877 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.740 3.848 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.411 1.749 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.322 0.910 0.476 1.00 0.00 H new ATOM 742 N LEU A 52 -0.691 4.197 1.406 1.00 0.00 N ATOM 743 CA LEU A 52 -1.786 5.134 1.226 1.00 0.00 C ATOM 744 C LEU A 52 -2.025 5.890 2.534 1.00 0.00 C ATOM 745 O LEU A 52 -1.978 7.120 2.563 1.00 0.00 O ATOM 746 CB LEU A 52 -3.028 4.414 0.697 1.00 0.00 C ATOM 747 CG LEU A 52 -2.878 3.732 -0.665 1.00 0.00 C ATOM 748 CD1 LEU A 52 -4.033 2.761 -0.921 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.740 4.766 -1.784 1.00 0.00 C ATOM 0 H LEU A 52 -0.961 3.214 1.366 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.530 5.876 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.326 3.662 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.842 5.136 0.632 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.959 3.145 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.903 2.290 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.043 1.995 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.977 3.306 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.635 4.255 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.627 5.399 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.859 5.382 -1.603 1.00 0.00 H new ATOM 760 N ARG A 53 -2.276 5.125 3.586 1.00 0.00 N ATOM 761 CA ARG A 53 -2.522 5.707 4.895 1.00 0.00 C ATOM 762 C ARG A 53 -1.253 6.380 5.423 1.00 0.00 C ATOM 763 O ARG A 53 -1.327 7.390 6.121 1.00 0.00 O ATOM 764 CB ARG A 53 -2.981 4.642 5.893 1.00 0.00 C ATOM 765 CG ARG A 53 -2.030 3.443 5.892 1.00 0.00 C ATOM 766 CD ARG A 53 -2.808 2.127 5.833 1.00 0.00 C ATOM 767 NE ARG A 53 -2.311 1.198 6.873 1.00 0.00 N ATOM 768 CZ ARG A 53 -2.921 0.055 7.213 1.00 0.00 C ATOM 769 NH1 ARG A 53 -4.056 -0.307 6.598 1.00 0.00 N ATOM 770 NH2 ARG A 53 -2.398 -0.726 8.168 1.00 0.00 N ATOM 0 H ARG A 53 -2.314 4.106 3.559 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.312 6.450 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.028 5.072 6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.989 4.312 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.356 3.510 5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.411 3.464 6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.871 2.317 5.981 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.699 1.674 4.847 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.450 1.444 7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.455 0.288 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.521 -1.177 6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.535 -0.450 8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.863 -1.596 8.427 1.00 0.00 H new ATOM 781 N ARG A 54 -0.120 5.791 5.071 1.00 0.00 N ATOM 782 CA ARG A 54 1.163 6.322 5.501 1.00 0.00 C ATOM 783 C ARG A 54 2.267 5.893 4.532 1.00 0.00 C ATOM 784 O ARG A 54 3.153 6.682 4.207 1.00 0.00 O ATOM 785 CB ARG A 54 1.515 5.838 6.909 1.00 0.00 C ATOM 786 CG ARG A 54 1.532 4.309 6.976 1.00 0.00 C ATOM 787 CD ARG A 54 1.919 3.826 8.374 1.00 0.00 C ATOM 788 NE ARG A 54 2.066 2.352 8.379 1.00 0.00 N ATOM 789 CZ ARG A 54 2.135 1.607 9.489 1.00 0.00 C ATOM 790 NH1 ARG A 54 2.071 2.192 10.693 1.00 0.00 N ATOM 791 NH2 ARG A 54 2.268 0.277 9.397 1.00 0.00 N ATOM 0 H ARG A 54 -0.063 4.952 4.494 1.00 0.00 H new ATOM 0 HA ARG A 54 1.085 7.409 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.490 6.229 7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.790 6.229 7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.549 3.919 6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.238 3.917 6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.854 4.294 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.158 4.126 9.095 1.00 0.00 H new ATOM 0 HE ARG A 54 2.118 1.874 7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.970 3.205 10.763 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.124 1.625 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.317 -0.168 8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.321 -0.290 10.243 1.00 0.00 H new TER 802 ARG A 54