USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 627 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 33 TYR OH : rot -99:sc= -1.46! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -3.85! C(o=-5.3!,f=-17!) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 12 LYS NZ :NH3+ -157:sc= 0.411 (180deg=0.161) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= -0.15 (180deg=-1.63!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -15:sc= -0.805 USER MOD Single : A 32 MET CE :methyl -121:sc= -0.044 (180deg=-0.804) USER MOD Single : A 34 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.065) USER MOD Single : A 35 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 36 THR OG1 : rot -58:sc= 0.68 USER MOD Single : A 37 MET CE :methyl -169:sc= 0 (180deg=-0.243) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= -0.0218 (180deg=-0.0544) USER MOD Single : A 51 ASN : amide:sc= 0.114 K(o=0.11,f=-0.93) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.57) USER MOD Single : A 74 TYR OH : rot -140:sc= 0.326 USER MOD Single : A 76 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.4) USER MOD Single : A 78 THR OG1 : rot -64:sc= 0.659 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -11.895 4.118 0.010 1.00 0.00 N ATOM 79 CA VAL A 5 -10.722 3.565 -0.660 1.00 0.00 C ATOM 80 C VAL A 5 -10.306 2.233 -0.043 1.00 0.00 C ATOM 81 O VAL A 5 -9.692 1.399 -0.706 1.00 0.00 O ATOM 82 CB VAL A 5 -9.528 4.538 -0.607 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.407 4.062 -1.522 1.00 0.00 C ATOM 84 CG2 VAL A 5 -9.968 5.947 -0.977 1.00 0.00 C ATOM 0 HA VAL A 5 -11.005 3.406 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.147 4.559 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.573 4.762 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.072 3.075 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.773 4.008 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.111 6.619 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.378 5.947 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.731 6.286 -0.276 1.00 0.00 H new ATOM 94 N ALA A 6 -10.642 2.041 1.228 1.00 0.00 N ATOM 95 CA ALA A 6 -10.300 0.807 1.928 1.00 0.00 C ATOM 96 C ALA A 6 -10.904 -0.405 1.230 1.00 0.00 C ATOM 97 O ALA A 6 -10.221 -1.403 0.991 1.00 0.00 O ATOM 98 CB ALA A 6 -10.770 0.874 3.375 1.00 0.00 C ATOM 0 H ALA A 6 -11.149 2.722 1.794 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.216 0.698 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.509 -0.053 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.287 1.713 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.851 1.010 3.400 1.00 0.00 H new ATOM 104 N ARG A 7 -12.184 -0.307 0.900 1.00 0.00 N ATOM 105 CA ARG A 7 -12.885 -1.390 0.222 1.00 0.00 C ATOM 106 C ARG A 7 -12.308 -1.612 -1.168 1.00 0.00 C ATOM 107 O ARG A 7 -11.899 -2.723 -1.517 1.00 0.00 O ATOM 108 CB ARG A 7 -14.380 -1.078 0.126 1.00 0.00 C ATOM 109 CG ARG A 7 -15.203 -2.213 -0.460 1.00 0.00 C ATOM 110 CD ARG A 7 -16.634 -1.781 -0.734 1.00 0.00 C ATOM 111 NE ARG A 7 -17.286 -2.640 -1.718 1.00 0.00 N ATOM 112 CZ ARG A 7 -17.800 -3.835 -1.435 1.00 0.00 C ATOM 113 NH1 ARG A 7 -17.738 -4.316 -0.198 1.00 0.00 N ATOM 114 NH2 ARG A 7 -18.378 -4.551 -2.389 1.00 0.00 N ATOM 0 H ARG A 7 -12.760 0.513 1.091 1.00 0.00 H new ATOM 0 HA ARG A 7 -12.752 -2.302 0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.758 -0.843 1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.518 -0.187 -0.486 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -14.742 -2.557 -1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -15.203 -3.057 0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.202 -1.799 0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.640 -0.751 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.352 -2.305 -2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.295 -3.769 0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -18.133 -5.232 0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -18.429 -4.186 -3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -18.772 -5.467 -2.172 1.00 0.00 H new ATOM 128 N GLU A 8 -12.268 -0.546 -1.954 1.00 0.00 N ATOM 129 CA GLU A 8 -11.733 -0.612 -3.307 1.00 0.00 C ATOM 130 C GLU A 8 -10.285 -1.087 -3.284 1.00 0.00 C ATOM 131 O GLU A 8 -9.834 -1.784 -4.194 1.00 0.00 O ATOM 132 CB GLU A 8 -11.828 0.758 -3.985 1.00 0.00 C ATOM 133 CG GLU A 8 -12.932 0.846 -5.026 1.00 0.00 C ATOM 134 CD GLU A 8 -12.465 1.484 -6.321 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.345 1.160 -6.771 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.218 2.305 -6.884 1.00 0.00 O ATOM 0 H GLU A 8 -12.601 0.378 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.326 -1.327 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.996 1.520 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.874 0.986 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.310 -0.155 -5.234 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.763 1.423 -4.620 1.00 0.00 H new ATOM 143 N PHE A 9 -9.563 -0.711 -2.232 1.00 0.00 N ATOM 144 CA PHE A 9 -8.168 -1.104 -2.082 1.00 0.00 C ATOM 145 C PHE A 9 -8.044 -2.622 -2.027 1.00 0.00 C ATOM 146 O PHE A 9 -7.246 -3.216 -2.753 1.00 0.00 O ATOM 147 CB PHE A 9 -7.575 -0.483 -0.814 1.00 0.00 C ATOM 148 CG PHE A 9 -6.149 -0.882 -0.553 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.232 -0.946 -1.591 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.728 -1.193 0.729 1.00 0.00 C ATOM 151 CE1 PHE A 9 -3.920 -1.312 -1.353 1.00 0.00 C ATOM 152 CE2 PHE A 9 -4.418 -1.561 0.973 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.513 -1.620 -0.070 1.00 0.00 C ATOM 0 H PHE A 9 -9.922 -0.134 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.613 -0.740 -2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.630 0.603 -0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.186 -0.772 0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.546 -0.707 -2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.431 -1.148 1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.215 -1.357 -2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.102 -1.802 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.489 -1.907 0.118 1.00 0.00 H new ATOM 163 N ARG A 10 -8.843 -3.244 -1.166 1.00 0.00 N ATOM 164 CA ARG A 10 -8.827 -4.694 -1.022 1.00 0.00 C ATOM 165 C ARG A 10 -9.113 -5.369 -2.359 1.00 0.00 C ATOM 166 O ARG A 10 -8.431 -6.316 -2.746 1.00 0.00 O ATOM 167 CB ARG A 10 -9.857 -5.137 0.018 1.00 0.00 C ATOM 168 CG ARG A 10 -9.546 -4.657 1.426 1.00 0.00 C ATOM 169 CD ARG A 10 -9.020 -5.786 2.298 1.00 0.00 C ATOM 170 NE ARG A 10 -8.830 -5.366 3.684 1.00 0.00 N ATOM 171 CZ ARG A 10 -8.727 -6.212 4.707 1.00 0.00 C ATOM 172 NH1 ARG A 10 -8.793 -7.521 4.503 1.00 0.00 N ATOM 173 NH2 ARG A 10 -8.556 -5.745 5.937 1.00 0.00 N ATOM 0 H ARG A 10 -9.509 -2.767 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.834 -4.993 -0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.839 -4.766 -0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.915 -6.225 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.809 -3.855 1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.446 -4.238 1.876 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.717 -6.623 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.073 -6.144 1.895 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.773 -4.367 3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.923 -7.884 3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.713 -8.165 5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.504 -4.739 6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.477 -6.392 6.722 1.00 0.00 H new ATOM 187 N HIS A 11 -10.123 -4.867 -3.064 1.00 0.00 N ATOM 188 CA HIS A 11 -10.494 -5.417 -4.361 1.00 0.00 C ATOM 189 C HIS A 11 -9.387 -5.179 -5.383 1.00 0.00 C ATOM 190 O HIS A 11 -9.082 -6.048 -6.200 1.00 0.00 O ATOM 191 CB HIS A 11 -11.804 -4.794 -4.849 1.00 0.00 C ATOM 192 CG HIS A 11 -12.995 -5.683 -4.659 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.157 -6.876 -5.330 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.083 -5.548 -3.866 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.295 -7.437 -4.958 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.875 -6.650 -4.069 1.00 0.00 N ATOM 0 H HIS A 11 -10.697 -4.082 -2.758 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.636 -6.492 -4.248 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -11.972 -3.857 -4.318 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -11.709 -4.549 -5.907 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.290 -4.725 -3.197 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.684 -8.378 -5.319 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.767 -6.832 -3.608 1.00 0.00 H new ATOM 205 N LYS A 12 -8.788 -3.993 -5.330 1.00 0.00 N ATOM 206 CA LYS A 12 -7.713 -3.634 -6.246 1.00 0.00 C ATOM 207 C LYS A 12 -6.542 -4.604 -6.117 1.00 0.00 C ATOM 208 O LYS A 12 -6.146 -5.249 -7.088 1.00 0.00 O ATOM 209 CB LYS A 12 -7.241 -2.206 -5.970 1.00 0.00 C ATOM 210 CG LYS A 12 -7.121 -1.353 -7.221 1.00 0.00 C ATOM 211 CD LYS A 12 -5.721 -0.781 -7.371 1.00 0.00 C ATOM 212 CE LYS A 12 -5.400 -0.463 -8.824 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.303 1.003 -9.063 1.00 0.00 N ATOM 0 H LYS A 12 -9.031 -3.263 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.098 -3.693 -7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.937 -1.729 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.273 -2.242 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.366 -1.953 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.845 -0.540 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.631 0.125 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.993 -1.494 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.459 -0.939 -9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.172 -0.885 -9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.473 1.203 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.014 1.496 -8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.353 1.336 -8.800 1.00 0.00 H new ATOM 227 N VAL A 13 -5.990 -4.697 -4.911 1.00 0.00 N ATOM 228 CA VAL A 13 -4.860 -5.584 -4.650 1.00 0.00 C ATOM 229 C VAL A 13 -5.156 -7.006 -5.118 1.00 0.00 C ATOM 230 O VAL A 13 -4.326 -7.638 -5.771 1.00 0.00 O ATOM 231 CB VAL A 13 -4.504 -5.610 -3.150 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.310 -6.517 -2.892 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.230 -4.203 -2.643 1.00 0.00 C ATOM 0 H VAL A 13 -6.307 -4.169 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.012 -5.191 -5.211 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.357 -6.012 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.078 -6.519 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.547 -7.531 -3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.448 -6.152 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.980 -4.241 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.396 -3.773 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.117 -3.586 -2.785 1.00 0.00 H new ATOM 243 N ASP A 14 -6.342 -7.501 -4.783 1.00 0.00 N ATOM 244 CA ASP A 14 -6.744 -8.848 -5.176 1.00 0.00 C ATOM 245 C ASP A 14 -6.710 -8.999 -6.693 1.00 0.00 C ATOM 246 O ASP A 14 -6.279 -10.027 -7.216 1.00 0.00 O ATOM 247 CB ASP A 14 -8.145 -9.160 -4.650 1.00 0.00 C ATOM 248 CG ASP A 14 -8.324 -10.628 -4.313 1.00 0.00 C ATOM 249 OD1 ASP A 14 -8.454 -11.441 -5.251 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.333 -10.963 -3.110 1.00 0.00 O ATOM 0 H ASP A 14 -7.041 -6.992 -4.242 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.038 -9.555 -4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.338 -8.560 -3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.883 -8.869 -5.397 1.00 0.00 H new ATOM 255 N PHE A 15 -7.164 -7.965 -7.393 1.00 0.00 N ATOM 256 CA PHE A 15 -7.185 -7.976 -8.851 1.00 0.00 C ATOM 257 C PHE A 15 -5.768 -7.928 -9.417 1.00 0.00 C ATOM 258 O PHE A 15 -5.435 -8.665 -10.345 1.00 0.00 O ATOM 259 CB PHE A 15 -8.000 -6.791 -9.377 1.00 0.00 C ATOM 260 CG PHE A 15 -9.265 -7.198 -10.076 1.00 0.00 C ATOM 261 CD1 PHE A 15 -10.105 -8.150 -9.519 1.00 0.00 C ATOM 262 CD2 PHE A 15 -9.617 -6.628 -11.290 1.00 0.00 C ATOM 263 CE1 PHE A 15 -11.270 -8.526 -10.161 1.00 0.00 C ATOM 264 CE2 PHE A 15 -10.780 -7.001 -11.935 1.00 0.00 C ATOM 265 CZ PHE A 15 -11.609 -7.950 -11.370 1.00 0.00 C ATOM 0 H PHE A 15 -7.523 -7.107 -6.973 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.654 -8.904 -9.177 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.250 -6.134 -8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.383 -6.213 -10.065 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.846 -8.603 -8.573 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.974 -5.884 -11.736 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.915 -9.270 -9.717 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.041 -6.550 -12.881 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.520 -8.241 -11.872 1.00 0.00 H new ATOM 275 N LEU A 16 -4.939 -7.054 -8.854 1.00 0.00 N ATOM 276 CA LEU A 16 -3.560 -6.910 -9.305 1.00 0.00 C ATOM 277 C LEU A 16 -2.715 -8.102 -8.876 1.00 0.00 C ATOM 278 O LEU A 16 -2.259 -8.887 -9.708 1.00 0.00 O ATOM 279 CB LEU A 16 -2.952 -5.616 -8.757 1.00 0.00 C ATOM 280 CG LEU A 16 -3.849 -4.381 -8.862 1.00 0.00 C ATOM 281 CD1 LEU A 16 -3.631 -3.457 -7.673 1.00 0.00 C ATOM 282 CD2 LEU A 16 -3.589 -3.646 -10.168 1.00 0.00 C ATOM 0 H LEU A 16 -5.198 -6.436 -8.085 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.567 -6.868 -10.394 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.693 -5.770 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.022 -5.416 -9.289 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.889 -4.708 -8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.278 -2.585 -7.767 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.869 -3.988 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.590 -3.135 -7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.235 -2.770 -10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.546 -3.331 -10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.799 -4.309 -11.007 1.00 0.00 H new ATOM 294 N ILE A 17 -2.508 -8.230 -7.573 1.00 0.00 N ATOM 295 CA ILE A 17 -1.716 -9.324 -7.025 1.00 0.00 C ATOM 296 C ILE A 17 -2.517 -10.619 -6.988 1.00 0.00 C ATOM 297 O ILE A 17 -2.217 -11.569 -7.710 1.00 0.00 O ATOM 298 CB ILE A 17 -1.212 -8.998 -5.606 1.00 0.00 C ATOM 299 CG1 ILE A 17 -0.583 -7.603 -5.573 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.213 -10.048 -5.144 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.040 -7.214 -4.216 1.00 0.00 C ATOM 0 H ILE A 17 -2.879 -7.588 -6.873 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.857 -9.454 -7.684 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.061 -9.009 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.225 -7.561 -6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.329 -6.870 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.134 -9.803 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.692 -11.027 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.637 -10.067 -5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.390 -6.214 -4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.848 -7.223 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.730 -7.924 -3.915 1.00 0.00 H new ATOM 313 N GLU A 18 -3.538 -10.645 -6.139 1.00 0.00 N ATOM 314 CA GLU A 18 -4.398 -11.820 -5.996 1.00 0.00 C ATOM 315 C GLU A 18 -3.713 -12.928 -5.192 1.00 0.00 C ATOM 316 O GLU A 18 -4.285 -14.000 -4.995 1.00 0.00 O ATOM 317 CB GLU A 18 -4.813 -12.356 -7.369 1.00 0.00 C ATOM 318 CG GLU A 18 -6.178 -13.024 -7.376 1.00 0.00 C ATOM 319 CD GLU A 18 -6.345 -13.998 -8.525 1.00 0.00 C ATOM 320 OE1 GLU A 18 -5.892 -13.678 -9.645 1.00 0.00 O ATOM 321 OE2 GLU A 18 -6.927 -15.080 -8.307 1.00 0.00 O ATOM 0 H GLU A 18 -3.793 -9.863 -5.536 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.287 -11.505 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.817 -11.534 -8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.066 -13.072 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.325 -13.551 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.952 -12.259 -7.438 1.00 0.00 H new ATOM 328 N ASN A 19 -2.490 -12.672 -4.734 1.00 0.00 N ATOM 329 CA ASN A 19 -1.746 -13.656 -3.957 1.00 0.00 C ATOM 330 C ASN A 19 -1.930 -13.422 -2.462 1.00 0.00 C ATOM 331 O ASN A 19 -1.497 -12.402 -1.925 1.00 0.00 O ATOM 332 CB ASN A 19 -0.260 -13.605 -4.319 1.00 0.00 C ATOM 333 CG ASN A 19 0.160 -14.763 -5.204 1.00 0.00 C ATOM 334 OD1 ASN A 19 0.278 -15.898 -4.745 1.00 0.00 O ATOM 335 ND2 ASN A 19 0.386 -14.478 -6.481 1.00 0.00 N ATOM 0 H ASN A 19 -1.995 -11.793 -4.888 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.136 -14.645 -4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.045 -12.666 -4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.334 -13.615 -3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.670 -15.216 -7.126 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.275 -13.521 -6.817 1.00 0.00 H new ATOM 342 N ASP A 20 -2.574 -14.374 -1.793 1.00 0.00 N ATOM 343 CA ASP A 20 -2.817 -14.271 -0.358 1.00 0.00 C ATOM 344 C ASP A 20 -1.513 -14.056 0.403 1.00 0.00 C ATOM 345 O ASP A 20 -1.473 -13.327 1.395 1.00 0.00 O ATOM 346 CB ASP A 20 -3.519 -15.532 0.154 1.00 0.00 C ATOM 347 CG ASP A 20 -4.643 -15.214 1.123 1.00 0.00 C ATOM 348 OD1 ASP A 20 -4.374 -15.134 2.338 1.00 0.00 O ATOM 349 OD2 ASP A 20 -5.793 -15.044 0.662 1.00 0.00 O ATOM 0 H ASP A 20 -2.937 -15.225 -2.222 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.462 -13.409 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.919 -16.091 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.790 -16.176 0.646 1.00 0.00 H new ATOM 354 N ALA A 21 -0.446 -14.690 -0.071 1.00 0.00 N ATOM 355 CA ALA A 21 0.861 -14.567 0.561 1.00 0.00 C ATOM 356 C ALA A 21 1.405 -13.153 0.413 1.00 0.00 C ATOM 357 O ALA A 21 1.730 -12.493 1.400 1.00 0.00 O ATOM 358 CB ALA A 21 1.833 -15.574 -0.036 1.00 0.00 C ATOM 0 H ALA A 21 -0.461 -15.295 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 21 0.747 -14.777 1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.805 -15.471 0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.454 -16.584 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.936 -15.390 -1.105 1.00 0.00 H new ATOM 364 N GLU A 22 1.500 -12.697 -0.827 1.00 0.00 N ATOM 365 CA GLU A 22 2.002 -11.359 -1.115 1.00 0.00 C ATOM 366 C GLU A 22 1.132 -10.300 -0.446 1.00 0.00 C ATOM 367 O GLU A 22 1.628 -9.266 0.001 1.00 0.00 O ATOM 368 CB GLU A 22 2.044 -11.122 -2.627 1.00 0.00 C ATOM 369 CG GLU A 22 3.337 -11.583 -3.279 1.00 0.00 C ATOM 370 CD GLU A 22 3.104 -12.281 -4.604 1.00 0.00 C ATOM 371 OE1 GLU A 22 2.928 -11.579 -5.622 1.00 0.00 O ATOM 372 OE2 GLU A 22 3.100 -13.531 -4.625 1.00 0.00 O ATOM 0 H GLU A 22 1.236 -13.234 -1.653 1.00 0.00 H new ATOM 0 HA GLU A 22 3.013 -11.281 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.207 -11.643 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.907 -10.059 -2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.988 -10.723 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.860 -12.260 -2.603 1.00 0.00 H new ATOM 379 N LYS A 23 -0.167 -10.566 -0.380 1.00 0.00 N ATOM 380 CA LYS A 23 -1.106 -9.639 0.239 1.00 0.00 C ATOM 381 C LYS A 23 -0.854 -9.536 1.739 1.00 0.00 C ATOM 382 O LYS A 23 -1.010 -8.471 2.334 1.00 0.00 O ATOM 383 CB LYS A 23 -2.545 -10.085 -0.023 1.00 0.00 C ATOM 384 CG LYS A 23 -3.035 -9.766 -1.426 1.00 0.00 C ATOM 385 CD LYS A 23 -4.553 -9.816 -1.514 1.00 0.00 C ATOM 386 CE LYS A 23 -5.033 -11.123 -2.124 1.00 0.00 C ATOM 387 NZ LYS A 23 -5.504 -12.082 -1.086 1.00 0.00 N ATOM 0 H LYS A 23 -0.594 -11.416 -0.748 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.956 -8.655 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.619 -11.160 0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.203 -9.604 0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.686 -8.776 -1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.605 -10.476 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.980 -9.700 -0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.911 -8.980 -2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.843 -10.920 -2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.223 -11.576 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.295 -13.054 -1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.016 -11.889 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.530 -11.974 -0.953 1.00 0.00 H new ATOM 401 N ASP A 24 -0.456 -10.650 2.344 1.00 0.00 N ATOM 402 CA ASP A 24 -0.172 -10.676 3.774 1.00 0.00 C ATOM 403 C ASP A 24 1.132 -9.947 4.068 1.00 0.00 C ATOM 404 O ASP A 24 1.300 -9.356 5.134 1.00 0.00 O ATOM 405 CB ASP A 24 -0.096 -12.117 4.277 1.00 0.00 C ATOM 406 CG ASP A 24 -1.425 -12.613 4.815 1.00 0.00 C ATOM 407 OD1 ASP A 24 -2.389 -12.701 4.024 1.00 0.00 O ATOM 408 OD2 ASP A 24 -1.503 -12.915 6.022 1.00 0.00 O ATOM 0 H ASP A 24 -0.323 -11.543 1.869 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.982 -10.168 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.229 -12.766 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.659 -12.186 5.061 1.00 0.00 H new ATOM 413 N TYR A 25 2.051 -9.988 3.109 1.00 0.00 N ATOM 414 CA TYR A 25 3.342 -9.328 3.256 1.00 0.00 C ATOM 415 C TYR A 25 3.179 -7.812 3.196 1.00 0.00 C ATOM 416 O TYR A 25 3.692 -7.088 4.049 1.00 0.00 O ATOM 417 CB TYR A 25 4.301 -9.794 2.159 1.00 0.00 C ATOM 418 CG TYR A 25 5.721 -9.991 2.639 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.634 -8.944 2.617 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.149 -11.225 3.114 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.933 -9.122 3.053 1.00 0.00 C ATOM 422 CE2 TYR A 25 7.445 -11.410 3.552 1.00 0.00 C ATOM 423 CZ TYR A 25 8.334 -10.356 3.520 1.00 0.00 C ATOM 424 OH TYR A 25 9.627 -10.536 3.955 1.00 0.00 O ATOM 0 H TYR A 25 1.925 -10.472 2.220 1.00 0.00 H new ATOM 0 HA TYR A 25 3.757 -9.596 4.228 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.934 -10.732 1.742 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.298 -9.063 1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.323 -7.976 2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.456 -12.053 3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.631 -8.298 3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.761 -12.376 3.918 1.00 0.00 H new ATOM 0 HH TYR A 25 9.746 -11.462 4.253 1.00 0.00 H new ATOM 434 N LEU A 26 2.458 -7.340 2.182 1.00 0.00 N ATOM 435 CA LEU A 26 2.229 -5.911 2.012 1.00 0.00 C ATOM 436 C LEU A 26 1.407 -5.353 3.169 1.00 0.00 C ATOM 437 O LEU A 26 1.600 -4.211 3.584 1.00 0.00 O ATOM 438 CB LEU A 26 1.526 -5.636 0.677 1.00 0.00 C ATOM 439 CG LEU A 26 0.046 -6.011 0.626 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.809 -4.899 1.214 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.377 -6.311 -0.806 1.00 0.00 C ATOM 0 H LEU A 26 2.024 -7.926 1.468 1.00 0.00 H new ATOM 0 HA LEU A 26 3.197 -5.409 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.623 -4.575 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.049 -6.182 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.103 -6.909 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.860 -5.185 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.523 -4.731 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.657 -3.983 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.434 -6.576 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.213 -5.430 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.213 -7.142 -1.193 1.00 0.00 H new ATOM 453 N TYR A 27 0.493 -6.166 3.692 1.00 0.00 N ATOM 454 CA TYR A 27 -0.348 -5.746 4.807 1.00 0.00 C ATOM 455 C TYR A 27 0.468 -5.662 6.092 1.00 0.00 C ATOM 456 O TYR A 27 0.221 -4.808 6.944 1.00 0.00 O ATOM 457 CB TYR A 27 -1.519 -6.714 4.991 1.00 0.00 C ATOM 458 CG TYR A 27 -2.869 -6.032 5.020 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.460 -5.570 3.852 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.550 -5.849 6.217 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.693 -4.945 3.874 1.00 0.00 C ATOM 462 CE2 TYR A 27 -4.783 -5.226 6.249 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.351 -4.776 5.075 1.00 0.00 C ATOM 464 OH TYR A 27 -6.578 -4.155 5.102 1.00 0.00 O ATOM 0 H TYR A 27 0.317 -7.115 3.363 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.745 -4.756 4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.507 -7.444 4.181 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.380 -7.267 5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.948 -5.701 2.910 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.108 -6.200 7.138 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.139 -4.591 2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.299 -5.092 7.188 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.728 -3.690 4.253 1.00 0.00 H new ATOM 474 N ASP A 28 1.446 -6.553 6.223 1.00 0.00 N ATOM 475 CA ASP A 28 2.304 -6.579 7.402 1.00 0.00 C ATOM 476 C ASP A 28 3.148 -5.313 7.481 1.00 0.00 C ATOM 477 O ASP A 28 3.266 -4.699 8.541 1.00 0.00 O ATOM 478 CB ASP A 28 3.210 -7.811 7.372 1.00 0.00 C ATOM 479 CG ASP A 28 3.425 -8.405 8.750 1.00 0.00 C ATOM 480 OD1 ASP A 28 4.075 -7.742 9.587 1.00 0.00 O ATOM 481 OD2 ASP A 28 2.944 -9.530 8.995 1.00 0.00 O ATOM 0 H ASP A 28 1.664 -7.266 5.527 1.00 0.00 H new ATOM 0 HA ASP A 28 1.668 -6.628 8.286 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.771 -8.565 6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.174 -7.539 6.942 1.00 0.00 H new ATOM 486 N VAL A 29 3.732 -4.927 6.351 1.00 0.00 N ATOM 487 CA VAL A 29 4.564 -3.731 6.293 1.00 0.00 C ATOM 488 C VAL A 29 3.736 -2.480 6.570 1.00 0.00 C ATOM 489 O VAL A 29 4.163 -1.591 7.307 1.00 0.00 O ATOM 490 CB VAL A 29 5.252 -3.587 4.922 1.00 0.00 C ATOM 491 CG1 VAL A 29 6.185 -2.384 4.912 1.00 0.00 C ATOM 492 CG2 VAL A 29 6.010 -4.858 4.568 1.00 0.00 C ATOM 0 H VAL A 29 3.645 -5.424 5.465 1.00 0.00 H new ATOM 0 HA VAL A 29 5.330 -3.838 7.061 1.00 0.00 H new ATOM 0 HB VAL A 29 4.482 -3.426 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.661 -2.301 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.613 -1.479 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.950 -2.510 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.489 -4.737 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.769 -5.052 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.315 -5.697 4.528 1.00 0.00 H new ATOM 502 N LEU A 30 2.547 -2.420 5.978 1.00 0.00 N ATOM 503 CA LEU A 30 1.658 -1.280 6.166 1.00 0.00 C ATOM 504 C LEU A 30 1.287 -1.118 7.637 1.00 0.00 C ATOM 505 O LEU A 30 1.329 -0.014 8.181 1.00 0.00 O ATOM 506 CB LEU A 30 0.391 -1.451 5.324 1.00 0.00 C ATOM 507 CG LEU A 30 0.484 -0.914 3.895 1.00 0.00 C ATOM 508 CD1 LEU A 30 -0.522 -1.613 2.996 1.00 0.00 C ATOM 509 CD2 LEU A 30 0.263 0.591 3.878 1.00 0.00 C ATOM 0 H LEU A 30 2.178 -3.147 5.365 1.00 0.00 H new ATOM 0 HA LEU A 30 2.184 -0.382 5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.142 -2.511 5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.434 -0.950 5.831 1.00 0.00 H new ATOM 0 HG LEU A 30 1.484 -1.119 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.441 -1.218 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.318 -2.684 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.530 -1.440 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.332 0.957 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.725 0.818 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.023 1.077 4.490 1.00 0.00 H new ATOM 521 N ARG A 31 0.928 -2.227 8.277 1.00 0.00 N ATOM 522 CA ARG A 31 0.552 -2.208 9.686 1.00 0.00 C ATOM 523 C ARG A 31 1.681 -1.643 10.540 1.00 0.00 C ATOM 524 O ARG A 31 1.455 -0.803 11.411 1.00 0.00 O ATOM 525 CB ARG A 31 0.193 -3.619 10.159 1.00 0.00 C ATOM 526 CG ARG A 31 -1.290 -3.935 10.055 1.00 0.00 C ATOM 527 CD ARG A 31 -1.599 -5.330 10.572 1.00 0.00 C ATOM 528 NE ARG A 31 -1.413 -5.433 12.018 1.00 0.00 N ATOM 529 CZ ARG A 31 -1.936 -6.403 12.765 1.00 0.00 C ATOM 530 NH1 ARG A 31 -2.678 -7.353 12.210 1.00 0.00 N ATOM 531 NH2 ARG A 31 -1.716 -6.422 14.072 1.00 0.00 N ATOM 0 H ARG A 31 0.890 -3.149 7.842 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.320 -1.564 9.797 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.753 -4.345 9.569 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.510 -3.738 11.195 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.860 -3.200 10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.609 -3.852 9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.627 -5.591 10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.955 -6.053 10.071 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.850 -4.720 12.482 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.851 -7.343 11.205 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.075 -8.093 12.789 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.147 -5.694 14.504 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.116 -7.164 14.646 1.00 0.00 H new ATOM 545 N MET A 32 2.895 -2.107 10.278 1.00 0.00 N ATOM 546 CA MET A 32 4.065 -1.644 11.015 1.00 0.00 C ATOM 547 C MET A 32 4.419 -0.216 10.616 1.00 0.00 C ATOM 548 O MET A 32 4.923 0.561 11.427 1.00 0.00 O ATOM 549 CB MET A 32 5.257 -2.570 10.760 1.00 0.00 C ATOM 550 CG MET A 32 5.174 -3.889 11.513 1.00 0.00 C ATOM 551 SD MET A 32 6.572 -4.149 12.624 1.00 0.00 S ATOM 552 CE MET A 32 6.232 -2.926 13.887 1.00 0.00 C ATOM 0 H MET A 32 3.097 -2.804 9.561 1.00 0.00 H new ATOM 0 HA MET A 32 3.827 -1.660 12.079 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.326 -2.775 9.692 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.174 -2.055 11.046 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.249 -3.916 12.088 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.128 -4.709 10.796 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.068 -2.230 13.954 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.324 -2.380 13.630 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.096 -3.423 14.848 1.00 0.00 H new ATOM 562 N TYR A 33 4.148 0.122 9.360 1.00 0.00 N ATOM 563 CA TYR A 33 4.431 1.455 8.845 1.00 0.00 C ATOM 564 C TYR A 33 3.638 2.510 9.614 1.00 0.00 C ATOM 565 O TYR A 33 4.112 3.625 9.826 1.00 0.00 O ATOM 566 CB TYR A 33 4.098 1.522 7.350 1.00 0.00 C ATOM 567 CG TYR A 33 4.067 2.927 6.786 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.139 3.791 6.961 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.963 3.385 6.079 1.00 0.00 C ATOM 570 CE1 TYR A 33 5.112 5.075 6.448 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.929 4.665 5.563 1.00 0.00 C ATOM 572 CZ TYR A 33 4.005 5.506 5.749 1.00 0.00 C ATOM 573 OH TYR A 33 3.975 6.781 5.235 1.00 0.00 O ATOM 0 H TYR A 33 3.731 -0.512 8.678 1.00 0.00 H new ATOM 0 HA TYR A 33 5.493 1.661 8.980 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.834 0.937 6.798 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.128 1.054 7.183 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.008 3.455 7.507 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.118 2.729 5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.953 5.736 6.594 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.063 5.006 5.016 1.00 0.00 H new ATOM 0 HH TYR A 33 3.465 7.364 5.836 1.00 0.00 H new ATOM 583 N HIS A 34 2.428 2.146 10.024 1.00 0.00 N ATOM 584 CA HIS A 34 1.568 3.060 10.766 1.00 0.00 C ATOM 585 C HIS A 34 2.144 3.353 12.149 1.00 0.00 C ATOM 586 O HIS A 34 2.231 4.509 12.563 1.00 0.00 O ATOM 587 CB HIS A 34 0.161 2.471 10.901 1.00 0.00 C ATOM 588 CG HIS A 34 -0.815 3.021 9.907 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.837 2.273 9.364 1.00 0.00 N ATOM 590 CD2 HIS A 34 -0.923 4.255 9.360 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.531 3.022 8.525 1.00 0.00 C ATOM 592 NE2 HIS A 34 -1.997 4.229 8.506 1.00 0.00 N ATOM 0 H HIS A 34 2.021 1.226 9.855 1.00 0.00 H new ATOM 0 HA HIS A 34 1.513 3.997 10.211 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.216 1.389 10.784 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.210 2.664 11.908 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.283 5.102 9.559 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.389 2.701 7.953 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.329 5.015 7.947 1.00 0.00 H new ATOM 601 N GLN A 35 2.531 2.299 12.861 1.00 0.00 N ATOM 602 CA GLN A 35 3.094 2.444 14.198 1.00 0.00 C ATOM 603 C GLN A 35 4.527 2.964 14.140 1.00 0.00 C ATOM 604 O GLN A 35 4.907 3.853 14.902 1.00 0.00 O ATOM 605 CB GLN A 35 3.055 1.106 14.938 1.00 0.00 C ATOM 606 CG GLN A 35 1.694 0.776 15.527 1.00 0.00 C ATOM 607 CD GLN A 35 1.434 -0.715 15.594 1.00 0.00 C ATOM 608 OE1 GLN A 35 0.384 -1.194 15.165 1.00 0.00 O ATOM 609 NE2 GLN A 35 2.391 -1.461 16.134 1.00 0.00 N ATOM 0 H GLN A 35 2.465 1.335 12.534 1.00 0.00 H new ATOM 0 HA GLN A 35 2.488 3.171 14.739 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.346 0.312 14.251 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.794 1.122 15.739 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.624 1.199 16.529 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.918 1.250 14.926 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.246 -1.024 16.477 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.271 -2.471 16.205 1.00 0.00 H new ATOM 618 N THR A 36 5.315 2.403 13.234 1.00 0.00 N ATOM 619 CA THR A 36 6.708 2.805 13.076 1.00 0.00 C ATOM 620 C THR A 36 6.811 4.180 12.425 1.00 0.00 C ATOM 621 O THR A 36 7.716 4.957 12.730 1.00 0.00 O ATOM 622 CB THR A 36 7.466 1.774 12.237 1.00 0.00 C ATOM 623 OG1 THR A 36 7.015 1.791 10.897 1.00 0.00 O ATOM 624 CG2 THR A 36 7.321 0.359 12.754 1.00 0.00 C ATOM 0 H THR A 36 5.014 1.667 12.595 1.00 0.00 H new ATOM 0 HA THR A 36 7.157 2.860 14.068 1.00 0.00 H new ATOM 0 HB THR A 36 8.515 2.061 12.304 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.053 1.605 10.873 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.883 -0.322 12.114 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.707 0.302 13.772 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.268 0.076 12.749 1.00 0.00 H new ATOM 632 N MET A 37 5.877 4.476 11.526 1.00 0.00 N ATOM 633 CA MET A 37 5.864 5.757 10.831 1.00 0.00 C ATOM 634 C MET A 37 7.142 5.952 10.020 1.00 0.00 C ATOM 635 O MET A 37 7.812 6.980 10.133 1.00 0.00 O ATOM 636 CB MET A 37 5.699 6.903 11.834 1.00 0.00 C ATOM 637 CG MET A 37 4.291 7.026 12.391 1.00 0.00 C ATOM 638 SD MET A 37 3.274 8.188 11.459 1.00 0.00 S ATOM 639 CE MET A 37 2.071 7.078 10.733 1.00 0.00 C ATOM 0 H MET A 37 5.120 3.846 11.262 1.00 0.00 H new ATOM 0 HA MET A 37 5.018 5.760 10.144 1.00 0.00 H new ATOM 0 HB2 MET A 37 6.396 6.755 12.659 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.972 7.841 11.350 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.815 6.046 12.384 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.343 7.348 13.431 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.494 7.611 9.977 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.586 6.236 10.270 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.400 6.710 11.509 1.00 0.00 H new ATOM 649 N ASP A 38 7.474 4.958 9.202 1.00 0.00 N ATOM 650 CA ASP A 38 8.671 5.022 8.369 1.00 0.00 C ATOM 651 C ASP A 38 8.307 4.984 6.889 1.00 0.00 C ATOM 652 O ASP A 38 8.105 3.913 6.317 1.00 0.00 O ATOM 653 CB ASP A 38 9.612 3.863 8.704 1.00 0.00 C ATOM 654 CG ASP A 38 10.430 4.125 9.954 1.00 0.00 C ATOM 655 OD1 ASP A 38 11.341 4.977 9.900 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.159 3.477 10.986 1.00 0.00 O ATOM 0 H ASP A 38 6.932 4.100 9.098 1.00 0.00 H new ATOM 0 HA ASP A 38 9.177 5.965 8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.028 2.952 8.839 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.284 3.689 7.863 1.00 0.00 H new ATOM 661 N VAL A 39 8.221 6.160 6.275 1.00 0.00 N ATOM 662 CA VAL A 39 7.877 6.261 4.862 1.00 0.00 C ATOM 663 C VAL A 39 8.993 5.706 3.984 1.00 0.00 C ATOM 664 O VAL A 39 8.740 4.961 3.038 1.00 0.00 O ATOM 665 CB VAL A 39 7.595 7.721 4.454 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.044 7.786 3.036 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.636 8.373 5.439 1.00 0.00 C ATOM 0 H VAL A 39 8.385 7.056 6.734 1.00 0.00 H new ATOM 0 HA VAL A 39 6.973 5.670 4.714 1.00 0.00 H new ATOM 0 HB VAL A 39 8.535 8.273 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.852 8.825 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.770 7.361 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.115 7.219 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.448 9.403 5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.696 7.821 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.076 8.363 6.436 1.00 0.00 H new ATOM 677 N ALA A 40 10.229 6.074 4.305 1.00 0.00 N ATOM 678 CA ALA A 40 11.384 5.611 3.544 1.00 0.00 C ATOM 679 C ALA A 40 11.483 4.090 3.568 1.00 0.00 C ATOM 680 O ALA A 40 11.807 3.464 2.559 1.00 0.00 O ATOM 681 CB ALA A 40 12.660 6.232 4.093 1.00 0.00 C ATOM 0 H ALA A 40 10.456 6.690 5.085 1.00 0.00 H new ATOM 0 HA ALA A 40 11.255 5.925 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.514 5.878 3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.597 7.318 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.784 5.946 5.137 1.00 0.00 H new ATOM 687 N VAL A 41 11.201 3.501 4.725 1.00 0.00 N ATOM 688 CA VAL A 41 11.257 2.053 4.880 1.00 0.00 C ATOM 689 C VAL A 41 10.078 1.382 4.186 1.00 0.00 C ATOM 690 O VAL A 41 10.219 0.314 3.590 1.00 0.00 O ATOM 691 CB VAL A 41 11.264 1.645 6.366 1.00 0.00 C ATOM 692 CG1 VAL A 41 11.490 0.148 6.511 1.00 0.00 C ATOM 693 CG2 VAL A 41 12.322 2.427 7.129 1.00 0.00 C ATOM 0 H VAL A 41 10.931 4.005 5.570 1.00 0.00 H new ATOM 0 HA VAL A 41 12.186 1.721 4.417 1.00 0.00 H new ATOM 0 HB VAL A 41 10.290 1.883 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.491 -0.119 7.568 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.692 -0.392 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.449 -0.120 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.312 2.126 8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.304 2.223 6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.109 3.494 7.056 1.00 0.00 H new ATOM 703 N LEU A 42 8.915 2.018 4.265 1.00 0.00 N ATOM 704 CA LEU A 42 7.708 1.487 3.643 1.00 0.00 C ATOM 705 C LEU A 42 7.852 1.447 2.126 1.00 0.00 C ATOM 706 O LEU A 42 7.507 0.454 1.485 1.00 0.00 O ATOM 707 CB LEU A 42 6.495 2.333 4.032 1.00 0.00 C ATOM 708 CG LEU A 42 5.172 1.900 3.395 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.478 0.862 4.266 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.269 3.103 3.171 1.00 0.00 C ATOM 0 H LEU A 42 8.782 2.903 4.754 1.00 0.00 H new ATOM 0 HA LEU A 42 7.560 0.468 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.385 2.306 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.691 3.369 3.757 1.00 0.00 H new ATOM 0 HG LEU A 42 5.386 1.448 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.539 0.565 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.122 -0.011 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.276 1.288 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.333 2.776 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.061 3.584 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.765 3.812 2.508 1.00 0.00 H new ATOM 722 N VAL A 43 8.367 2.532 1.558 1.00 0.00 N ATOM 723 CA VAL A 43 8.559 2.621 0.115 1.00 0.00 C ATOM 724 C VAL A 43 9.518 1.544 -0.378 1.00 0.00 C ATOM 725 O VAL A 43 9.264 0.888 -1.388 1.00 0.00 O ATOM 726 CB VAL A 43 9.099 4.003 -0.297 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.117 4.140 -1.813 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.273 5.113 0.339 1.00 0.00 C ATOM 0 H VAL A 43 8.659 3.362 2.074 1.00 0.00 H new ATOM 0 HA VAL A 43 7.582 2.472 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 43 10.123 4.094 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.502 5.123 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.758 3.369 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.105 4.027 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.670 6.082 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.236 5.028 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.320 5.025 1.424 1.00 0.00 H new ATOM 738 N GLY A 44 10.623 1.367 0.341 1.00 0.00 N ATOM 739 CA GLY A 44 11.604 0.367 -0.041 1.00 0.00 C ATOM 740 C GLY A 44 11.014 -1.027 -0.113 1.00 0.00 C ATOM 741 O GLY A 44 11.008 -1.651 -1.174 1.00 0.00 O ATOM 0 H GLY A 44 10.856 1.898 1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.027 0.630 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.424 0.374 0.677 1.00 0.00 H new ATOM 745 N ASP A 45 10.516 -1.517 1.019 1.00 0.00 N ATOM 746 CA ASP A 45 9.917 -2.847 1.083 1.00 0.00 C ATOM 747 C ASP A 45 8.807 -2.993 0.044 1.00 0.00 C ATOM 748 O ASP A 45 8.783 -3.956 -0.722 1.00 0.00 O ATOM 749 CB ASP A 45 9.359 -3.111 2.482 1.00 0.00 C ATOM 750 CG ASP A 45 9.371 -4.584 2.840 1.00 0.00 C ATOM 751 OD1 ASP A 45 8.821 -5.389 2.060 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.930 -4.932 3.901 1.00 0.00 O ATOM 0 H ASP A 45 10.515 -1.012 1.905 1.00 0.00 H new ATOM 0 HA ASP A 45 10.694 -3.580 0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.946 -2.557 3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.338 -2.734 2.540 1.00 0.00 H new ATOM 757 N LEU A 46 7.893 -2.030 0.029 1.00 0.00 N ATOM 758 CA LEU A 46 6.781 -2.049 -0.913 1.00 0.00 C ATOM 759 C LEU A 46 7.286 -2.089 -2.353 1.00 0.00 C ATOM 760 O LEU A 46 6.608 -2.598 -3.242 1.00 0.00 O ATOM 761 CB LEU A 46 5.889 -0.823 -0.707 1.00 0.00 C ATOM 762 CG LEU A 46 5.009 -0.867 0.545 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.096 0.348 0.596 1.00 0.00 C ATOM 764 CD2 LEU A 46 4.194 -2.150 0.579 1.00 0.00 C ATOM 0 H LEU A 46 7.900 -1.227 0.658 1.00 0.00 H new ATOM 0 HA LEU A 46 6.197 -2.950 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.521 0.064 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.247 -0.708 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 46 5.656 -0.848 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.477 0.301 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.699 1.256 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.456 0.360 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.575 -2.164 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.556 -2.199 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.866 -3.008 0.589 1.00 0.00 H new ATOM 776 N LYS A 47 8.480 -1.551 -2.575 1.00 0.00 N ATOM 777 CA LYS A 47 9.068 -1.531 -3.909 1.00 0.00 C ATOM 778 C LYS A 47 9.560 -2.920 -4.305 1.00 0.00 C ATOM 779 O LYS A 47 9.209 -3.436 -5.364 1.00 0.00 O ATOM 780 CB LYS A 47 10.223 -0.532 -3.968 1.00 0.00 C ATOM 781 CG LYS A 47 10.634 -0.158 -5.383 1.00 0.00 C ATOM 782 CD LYS A 47 11.723 0.903 -5.388 1.00 0.00 C ATOM 783 CE LYS A 47 11.205 2.237 -4.875 1.00 0.00 C ATOM 784 NZ LYS A 47 11.922 2.675 -3.646 1.00 0.00 N ATOM 0 H LYS A 47 9.058 -1.124 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 47 8.296 -1.222 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.938 0.372 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.083 -0.953 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.988 -1.046 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.765 0.209 -5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.557 0.573 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.108 1.026 -6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.319 2.994 -5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.139 2.156 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.599 3.626 -3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.723 2.009 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.945 2.696 -3.830 1.00 0.00 H new ATOM 798 N LEU A 48 10.377 -3.520 -3.443 1.00 0.00 N ATOM 799 CA LEU A 48 10.919 -4.850 -3.701 1.00 0.00 C ATOM 800 C LEU A 48 9.806 -5.850 -3.995 1.00 0.00 C ATOM 801 O LEU A 48 9.980 -6.769 -4.796 1.00 0.00 O ATOM 802 CB LEU A 48 11.745 -5.327 -2.505 1.00 0.00 C ATOM 803 CG LEU A 48 12.989 -4.488 -2.203 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.961 -3.982 -0.768 1.00 0.00 C ATOM 805 CD2 LEU A 48 14.252 -5.295 -2.461 1.00 0.00 C ATOM 0 H LEU A 48 10.678 -3.106 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 48 11.562 -4.786 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.107 -5.334 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.054 -6.357 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 48 12.990 -3.625 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.854 -3.388 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.075 -3.365 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.934 -4.830 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.126 -4.683 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.257 -6.178 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.279 -5.604 -3.506 1.00 0.00 H new ATOM 817 N VAL A 49 8.664 -5.670 -3.339 1.00 0.00 N ATOM 818 CA VAL A 49 7.528 -6.564 -3.529 1.00 0.00 C ATOM 819 C VAL A 49 6.637 -6.091 -4.677 1.00 0.00 C ATOM 820 O VAL A 49 6.218 -6.884 -5.520 1.00 0.00 O ATOM 821 CB VAL A 49 6.698 -6.698 -2.230 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.630 -5.617 -2.121 1.00 0.00 C ATOM 823 CG2 VAL A 49 6.075 -8.082 -2.135 1.00 0.00 C ATOM 0 H VAL A 49 8.501 -4.915 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 49 7.927 -7.545 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 49 7.381 -6.563 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.072 -5.749 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.104 -4.636 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.949 -5.692 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.495 -8.158 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.420 -8.246 -2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.862 -8.836 -2.131 1.00 0.00 H new ATOM 833 N ILE A 50 6.353 -4.792 -4.699 1.00 0.00 N ATOM 834 CA ILE A 50 5.512 -4.209 -5.743 1.00 0.00 C ATOM 835 C ILE A 50 6.346 -3.726 -6.932 1.00 0.00 C ATOM 836 O ILE A 50 5.893 -2.897 -7.722 1.00 0.00 O ATOM 837 CB ILE A 50 4.671 -3.031 -5.205 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.956 -3.430 -3.912 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.664 -2.568 -6.251 1.00 0.00 C ATOM 840 CD1 ILE A 50 3.021 -2.364 -3.379 1.00 0.00 C ATOM 0 H ILE A 50 6.692 -4.123 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 50 4.841 -5.001 -6.076 1.00 0.00 H new ATOM 0 HB ILE A 50 5.343 -2.201 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.388 -4.344 -4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.702 -3.660 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.081 -1.737 -5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.193 -2.243 -7.147 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.996 -3.392 -6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.551 -2.718 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.586 -1.456 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.252 -2.150 -4.122 1.00 0.00 H new ATOM 852 N ASN A 51 7.563 -4.246 -7.060 1.00 0.00 N ATOM 853 CA ASN A 51 8.447 -3.861 -8.157 1.00 0.00 C ATOM 854 C ASN A 51 7.789 -4.131 -9.507 1.00 0.00 C ATOM 855 O ASN A 51 7.913 -3.337 -10.440 1.00 0.00 O ATOM 856 CB ASN A 51 9.776 -4.616 -8.061 1.00 0.00 C ATOM 857 CG ASN A 51 9.622 -6.102 -8.318 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.799 -6.571 -9.442 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.290 -6.853 -7.274 1.00 0.00 N ATOM 0 H ASN A 51 7.960 -4.934 -6.420 1.00 0.00 H new ATOM 0 HA ASN A 51 8.640 -2.791 -8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.480 -4.198 -8.780 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.205 -4.465 -7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.172 -7.860 -7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.153 -6.423 -6.359 1.00 0.00 H new ATOM 866 N GLU A 52 7.092 -5.260 -9.604 1.00 0.00 N ATOM 867 CA GLU A 52 6.412 -5.645 -10.835 1.00 0.00 C ATOM 868 C GLU A 52 5.556 -4.497 -11.371 1.00 0.00 C ATOM 869 O GLU A 52 4.572 -4.107 -10.749 1.00 0.00 O ATOM 870 CB GLU A 52 5.543 -6.881 -10.592 1.00 0.00 C ATOM 871 CG GLU A 52 5.884 -8.051 -11.498 1.00 0.00 C ATOM 872 CD GLU A 52 5.453 -7.824 -12.933 1.00 0.00 C ATOM 873 OE1 GLU A 52 4.373 -7.234 -13.142 1.00 0.00 O ATOM 874 OE2 GLU A 52 6.196 -8.238 -13.849 1.00 0.00 O ATOM 0 H GLU A 52 6.984 -5.927 -8.840 1.00 0.00 H new ATOM 0 HA GLU A 52 7.169 -5.882 -11.582 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.652 -7.193 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.496 -6.613 -10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.959 -8.226 -11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.404 -8.952 -11.117 1.00 0.00 H new ATOM 881 N PRO A 53 5.926 -3.940 -12.538 1.00 0.00 N ATOM 882 CA PRO A 53 5.191 -2.834 -13.158 1.00 0.00 C ATOM 883 C PRO A 53 3.678 -3.031 -13.109 1.00 0.00 C ATOM 884 O PRO A 53 2.919 -2.065 -13.042 1.00 0.00 O ATOM 885 CB PRO A 53 5.690 -2.860 -14.600 1.00 0.00 C ATOM 886 CG PRO A 53 7.079 -3.389 -14.508 1.00 0.00 C ATOM 887 CD PRO A 53 7.095 -4.344 -13.342 1.00 0.00 C ATOM 0 HA PRO A 53 5.362 -1.888 -12.644 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.064 -3.497 -15.225 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.674 -1.864 -15.043 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.363 -3.897 -15.430 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.793 -2.580 -14.357 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.014 -5.380 -13.672 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.020 -4.263 -12.771 1.00 0.00 H new ATOM 895 N SER A 54 3.247 -4.289 -13.144 1.00 0.00 N ATOM 896 CA SER A 54 1.824 -4.609 -13.101 1.00 0.00 C ATOM 897 C SER A 54 1.225 -4.256 -11.743 1.00 0.00 C ATOM 898 O SER A 54 0.047 -3.908 -11.642 1.00 0.00 O ATOM 899 CB SER A 54 1.606 -6.094 -13.395 1.00 0.00 C ATOM 900 OG SER A 54 0.231 -6.431 -13.332 1.00 0.00 O ATOM 0 H SER A 54 3.861 -5.101 -13.202 1.00 0.00 H new ATOM 0 HA SER A 54 1.321 -4.015 -13.864 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.997 -6.333 -14.384 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.164 -6.696 -12.678 1.00 0.00 H new ATOM 0 HG SER A 54 0.119 -7.385 -13.525 1.00 0.00 H new ATOM 906 N ARG A 55 2.044 -4.349 -10.701 1.00 0.00 N ATOM 907 CA ARG A 55 1.603 -4.043 -9.344 1.00 0.00 C ATOM 908 C ARG A 55 1.695 -2.545 -9.050 1.00 0.00 C ATOM 909 O ARG A 55 1.136 -2.065 -8.063 1.00 0.00 O ATOM 910 CB ARG A 55 2.446 -4.821 -8.331 1.00 0.00 C ATOM 911 CG ARG A 55 2.302 -6.330 -8.446 1.00 0.00 C ATOM 912 CD ARG A 55 3.483 -7.049 -7.811 1.00 0.00 C ATOM 913 NE ARG A 55 3.503 -8.470 -8.146 1.00 0.00 N ATOM 914 CZ ARG A 55 4.572 -9.252 -7.996 1.00 0.00 C ATOM 915 NH1 ARG A 55 5.705 -8.752 -7.519 1.00 0.00 N ATOM 916 NH2 ARG A 55 4.503 -10.534 -8.322 1.00 0.00 N ATOM 0 H ARG A 55 3.021 -4.635 -10.770 1.00 0.00 H new ATOM 0 HA ARG A 55 0.558 -4.342 -9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.495 -4.554 -8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.163 -4.514 -7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.378 -6.647 -7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.225 -6.611 -9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.411 -6.585 -8.144 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.439 -6.932 -6.728 1.00 0.00 H new ATOM 0 HE ARG A 55 2.650 -8.888 -8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.760 -7.766 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.520 -9.354 -7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.633 -10.921 -8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.320 -11.134 -8.208 1.00 0.00 H new ATOM 930 N LEU A 56 2.404 -1.810 -9.905 1.00 0.00 N ATOM 931 CA LEU A 56 2.570 -0.368 -9.731 1.00 0.00 C ATOM 932 C LEU A 56 1.240 0.323 -9.417 1.00 0.00 C ATOM 933 O LEU A 56 1.103 0.970 -8.380 1.00 0.00 O ATOM 934 CB LEU A 56 3.191 0.252 -10.984 1.00 0.00 C ATOM 935 CG LEU A 56 4.712 0.120 -11.088 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.196 0.581 -12.453 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.393 0.914 -9.983 1.00 0.00 C ATOM 0 H LEU A 56 2.874 -2.190 -10.727 1.00 0.00 H new ATOM 0 HA LEU A 56 3.237 -0.218 -8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.741 -0.212 -11.861 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.931 1.310 -11.014 1.00 0.00 H new ATOM 0 HG LEU A 56 4.975 -0.931 -10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.280 0.480 -12.508 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.735 -0.031 -13.228 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.921 1.625 -12.603 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.474 0.809 -10.073 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.122 1.966 -10.071 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.071 0.537 -9.012 1.00 0.00 H new ATOM 949 N PRO A 57 0.240 0.198 -10.310 1.00 0.00 N ATOM 950 CA PRO A 57 -1.076 0.815 -10.120 1.00 0.00 C ATOM 951 C PRO A 57 -1.611 0.636 -8.703 1.00 0.00 C ATOM 952 O PRO A 57 -2.391 1.455 -8.216 1.00 0.00 O ATOM 953 CB PRO A 57 -1.977 0.091 -11.136 1.00 0.00 C ATOM 954 CG PRO A 57 -1.130 -0.976 -11.759 1.00 0.00 C ATOM 955 CD PRO A 57 0.297 -0.545 -11.572 1.00 0.00 C ATOM 0 HA PRO A 57 -1.035 1.894 -10.269 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.849 -0.341 -10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.348 0.784 -11.891 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.310 -1.941 -11.285 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.366 -1.091 -12.817 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.974 -1.397 -11.511 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.644 0.079 -12.395 1.00 0.00 H new ATOM 963 N LEU A 58 -1.189 -0.437 -8.042 1.00 0.00 N ATOM 964 CA LEU A 58 -1.627 -0.719 -6.679 1.00 0.00 C ATOM 965 C LEU A 58 -1.308 0.449 -5.750 1.00 0.00 C ATOM 966 O LEU A 58 -2.116 0.813 -4.896 1.00 0.00 O ATOM 967 CB LEU A 58 -0.962 -1.994 -6.160 1.00 0.00 C ATOM 968 CG LEU A 58 -1.604 -2.596 -4.909 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.345 -4.093 -4.844 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.079 -1.907 -3.659 1.00 0.00 C ATOM 0 H LEU A 58 -0.544 -1.126 -8.428 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.708 -0.862 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.977 -2.742 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.084 -1.778 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.681 -2.437 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.809 -4.504 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.769 -4.574 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.271 -4.275 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.546 -2.347 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.002 -2.035 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.316 -0.844 -3.703 1.00 0.00 H new ATOM 982 N PHE A 59 -0.124 1.032 -5.925 1.00 0.00 N ATOM 983 CA PHE A 59 0.309 2.161 -5.105 1.00 0.00 C ATOM 984 C PHE A 59 -0.759 3.250 -5.053 1.00 0.00 C ATOM 985 O PHE A 59 -0.874 3.979 -4.065 1.00 0.00 O ATOM 986 CB PHE A 59 1.614 2.743 -5.653 1.00 0.00 C ATOM 987 CG PHE A 59 2.833 1.951 -5.271 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.143 1.728 -3.940 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.669 1.432 -6.247 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.264 1.002 -3.587 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.793 0.706 -5.900 1.00 0.00 C ATOM 992 CZ PHE A 59 5.091 0.490 -4.569 1.00 0.00 C ATOM 0 H PHE A 59 0.554 0.740 -6.629 1.00 0.00 H new ATOM 0 HA PHE A 59 0.473 1.794 -4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.551 2.795 -6.740 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.727 3.765 -5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.501 2.126 -3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.440 1.596 -7.290 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.494 0.835 -2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.438 0.308 -6.669 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.968 -0.078 -4.296 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.538 3.357 -6.124 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.595 4.360 -6.207 1.00 0.00 C ATOM 1004 C ASP A 60 -3.526 4.276 -5.005 1.00 0.00 C ATOM 1005 O ASP A 60 -3.784 5.276 -4.340 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.395 4.183 -7.499 1.00 0.00 C ATOM 1007 CG ASP A 60 -2.571 4.485 -8.736 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -1.826 5.487 -8.724 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -2.670 3.718 -9.717 1.00 0.00 O ATOM 0 H ASP A 60 -1.458 2.761 -6.948 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.125 5.343 -6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.768 3.160 -7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.265 4.839 -7.477 1.00 0.00 H new ATOM 1014 N ALA A 61 -4.024 3.079 -4.736 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.929 2.855 -3.612 1.00 0.00 C ATOM 1016 C ALA A 61 -4.198 2.941 -2.272 1.00 0.00 C ATOM 1017 O ALA A 61 -4.825 3.111 -1.228 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.614 1.503 -3.755 1.00 0.00 C ATOM 0 H ALA A 61 -3.817 2.242 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.682 3.643 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.287 1.345 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.184 1.480 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.862 0.714 -3.772 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.872 2.819 -2.304 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.073 2.882 -1.086 1.00 0.00 C ATOM 1026 C ILE A 62 -1.962 4.312 -0.561 1.00 0.00 C ATOM 1027 O ILE A 62 -1.922 4.535 0.648 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.655 2.317 -1.311 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.732 0.917 -1.924 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.119 2.284 0.001 1.00 0.00 C ATOM 1031 CD1 ILE A 62 0.620 0.274 -2.139 1.00 0.00 C ATOM 0 H ILE A 62 -2.332 2.677 -3.157 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.588 2.270 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.127 2.970 -2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.330 0.278 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.253 0.976 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.117 1.883 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.200 3.295 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.405 1.651 0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.487 -0.716 -2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.214 0.892 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.135 0.182 -1.183 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.909 5.278 -1.474 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.799 6.682 -1.086 1.00 0.00 C ATOM 1045 C ARG A 63 -2.994 7.117 -0.236 1.00 0.00 C ATOM 1046 O ARG A 63 -2.825 7.595 0.887 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.681 7.571 -2.324 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.482 8.506 -2.289 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.292 9.221 -3.617 1.00 0.00 C ATOM 1050 NE ARG A 63 -1.488 9.954 -4.021 1.00 0.00 N ATOM 1051 CZ ARG A 63 -1.487 10.951 -4.904 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -0.353 11.338 -5.479 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -2.621 11.561 -5.215 1.00 0.00 N ATOM 0 H ARG A 63 -1.940 5.117 -2.481 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.897 6.792 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.613 6.939 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.591 8.163 -2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.616 9.241 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.417 7.938 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.547 9.912 -3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.036 8.493 -4.387 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.378 9.686 -3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.523 10.871 -5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.359 12.102 -6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.495 11.267 -4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.621 12.325 -5.891 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.224 6.959 -0.761 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.448 7.340 -0.049 1.00 0.00 C ATOM 1069 C PRO A 64 -5.456 6.874 1.404 1.00 0.00 C ATOM 1070 O PRO A 64 -5.676 7.667 2.319 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.540 6.625 -0.845 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.006 6.568 -2.231 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.518 6.400 -2.094 1.00 0.00 C ATOM 0 HA PRO A 64 -5.569 8.422 0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.731 5.627 -0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.483 7.170 -0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.443 5.737 -2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.247 7.478 -2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.225 5.352 -2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.981 6.933 -2.879 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.214 5.584 1.610 1.00 0.00 N ATOM 1082 CA LEU A 65 -5.195 5.016 2.953 1.00 0.00 C ATOM 1083 C LEU A 65 -4.037 5.575 3.778 1.00 0.00 C ATOM 1084 O LEU A 65 -4.016 5.439 5.001 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.100 3.489 2.886 1.00 0.00 C ATOM 1086 CG LEU A 65 -3.936 2.941 2.059 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -2.638 3.021 2.846 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.216 1.508 1.634 1.00 0.00 C ATOM 0 H LEU A 65 -5.028 4.913 0.865 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.127 5.295 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.016 3.102 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.031 3.101 2.473 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.831 3.552 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.821 2.627 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.431 4.060 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.730 2.434 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.378 1.133 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.347 0.885 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.124 1.478 1.032 1.00 0.00 H new ATOM 1100 N ILE A 66 -3.071 6.201 3.107 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.916 6.771 3.790 1.00 0.00 C ATOM 1102 C ILE A 66 -2.239 8.152 4.365 1.00 0.00 C ATOM 1103 O ILE A 66 -3.176 8.814 3.920 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.692 6.854 2.838 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.528 6.187 3.478 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.371 8.297 2.457 1.00 0.00 C ATOM 1107 CD1 ILE A 66 0.942 4.904 2.791 1.00 0.00 C ATOM 0 H ILE A 66 -3.067 6.325 2.095 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.664 6.108 4.618 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.948 6.320 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.365 6.885 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.310 5.976 4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.491 8.314 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.229 8.739 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.145 8.869 3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.812 4.485 3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.120 4.189 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.192 5.113 1.751 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.462 8.604 5.366 1.00 0.00 N ATOM 1120 CA PRO A 67 -1.667 9.910 6.003 1.00 0.00 C ATOM 1121 C PRO A 67 -1.656 11.057 5.000 1.00 0.00 C ATOM 1122 O PRO A 67 -1.106 10.935 3.905 1.00 0.00 O ATOM 1123 CB PRO A 67 -0.482 10.032 6.966 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.055 8.629 7.226 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.323 7.875 5.955 1.00 0.00 C ATOM 0 HA PRO A 67 -2.639 9.971 6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.326 10.616 6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.773 10.534 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.001 8.585 7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.611 8.200 8.060 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.543 7.879 5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.570 6.831 6.150 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.274 12.173 5.380 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.341 13.351 4.510 1.00 0.00 C ATOM 1135 C LEU A 68 -0.955 13.741 4.005 1.00 0.00 C ATOM 1136 O LEU A 68 -0.657 13.611 2.819 1.00 0.00 O ATOM 1137 CB LEU A 68 -2.980 14.557 5.230 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.622 14.275 6.592 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -2.557 14.167 7.672 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -4.623 15.367 6.940 1.00 0.00 C ATOM 0 H LEU A 68 -2.736 12.289 6.282 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.969 13.079 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.213 15.320 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.741 14.982 4.575 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.151 13.324 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.032 13.967 8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.873 13.354 7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.002 15.103 7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.071 15.154 7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.113 16.329 6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.403 15.401 6.179 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.111 14.221 4.911 1.00 0.00 N ATOM 1153 CA LYS A 69 1.244 14.631 4.551 1.00 0.00 C ATOM 1154 C LYS A 69 2.004 13.479 3.899 1.00 0.00 C ATOM 1155 O LYS A 69 2.800 13.684 2.981 1.00 0.00 O ATOM 1156 CB LYS A 69 2.000 15.115 5.790 1.00 0.00 C ATOM 1157 CG LYS A 69 1.260 16.186 6.576 1.00 0.00 C ATOM 1158 CD LYS A 69 0.929 17.390 5.706 1.00 0.00 C ATOM 1159 CE LYS A 69 1.526 18.669 6.269 1.00 0.00 C ATOM 1160 NZ LYS A 69 0.594 19.823 6.138 1.00 0.00 N ATOM 0 H LYS A 69 -0.339 14.336 5.899 1.00 0.00 H new ATOM 0 HA LYS A 69 1.171 15.450 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.192 14.264 6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.970 15.506 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.340 15.768 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.869 16.504 7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.307 17.225 4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.153 17.497 5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.775 18.521 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.457 18.894 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.039 20.675 6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.376 19.981 5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.285 19.620 6.655 1.00 0.00 H new ATOM 1174 N HIS A 70 1.750 12.268 4.381 1.00 0.00 N ATOM 1175 CA HIS A 70 2.409 11.081 3.850 1.00 0.00 C ATOM 1176 C HIS A 70 2.034 10.853 2.390 1.00 0.00 C ATOM 1177 O HIS A 70 2.835 10.340 1.610 1.00 0.00 O ATOM 1178 CB HIS A 70 2.045 9.855 4.687 1.00 0.00 C ATOM 1179 CG HIS A 70 2.629 9.884 6.066 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.192 8.779 6.669 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.739 10.895 6.961 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.621 9.107 7.875 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.360 10.386 8.075 1.00 0.00 N ATOM 0 H HIS A 70 1.093 12.082 5.138 1.00 0.00 H new ATOM 0 HA HIS A 70 3.486 11.239 3.903 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.960 9.783 4.761 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.389 8.958 4.173 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.401 11.912 6.824 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.103 8.443 8.577 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.584 10.911 8.920 1.00 0.00 H new ATOM 1192 N GLN A 71 0.815 11.239 2.021 1.00 0.00 N ATOM 1193 CA GLN A 71 0.348 11.075 0.648 1.00 0.00 C ATOM 1194 C GLN A 71 1.239 11.847 -0.316 1.00 0.00 C ATOM 1195 O GLN A 71 1.799 11.283 -1.257 1.00 0.00 O ATOM 1196 CB GLN A 71 -1.103 11.550 0.513 1.00 0.00 C ATOM 1197 CG GLN A 71 -2.119 10.420 0.532 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.281 10.667 -0.410 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -4.444 10.633 -0.003 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -2.974 10.916 -1.677 1.00 0.00 N ATOM 0 H GLN A 71 0.136 11.666 2.651 1.00 0.00 H new ATOM 0 HA GLN A 71 0.395 10.015 0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.327 12.242 1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.209 12.107 -0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.625 9.488 0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.498 10.294 1.546 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.997 10.935 -1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.715 11.089 -2.357 1.00 0.00 H new ATOM 1209 N VAL A 72 1.368 13.143 -0.068 1.00 0.00 N ATOM 1210 CA VAL A 72 2.191 14.008 -0.903 1.00 0.00 C ATOM 1211 C VAL A 72 3.621 13.489 -0.988 1.00 0.00 C ATOM 1212 O VAL A 72 4.205 13.418 -2.070 1.00 0.00 O ATOM 1213 CB VAL A 72 2.212 15.453 -0.370 1.00 0.00 C ATOM 1214 CG1 VAL A 72 2.907 16.377 -1.357 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.799 15.935 -0.080 1.00 0.00 C ATOM 0 H VAL A 72 0.911 13.621 0.709 1.00 0.00 H new ATOM 0 HA VAL A 72 1.745 14.004 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 72 2.775 15.469 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.912 17.393 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.933 16.042 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.375 16.359 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.833 16.958 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.209 15.905 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.341 15.289 0.668 1.00 0.00 H new ATOM 1225 N GLU A 73 4.185 13.127 0.160 1.00 0.00 N ATOM 1226 CA GLU A 73 5.549 12.614 0.209 1.00 0.00 C ATOM 1227 C GLU A 73 5.657 11.292 -0.537 1.00 0.00 C ATOM 1228 O GLU A 73 6.622 11.058 -1.264 1.00 0.00 O ATOM 1229 CB GLU A 73 6.007 12.442 1.658 1.00 0.00 C ATOM 1230 CG GLU A 73 7.498 12.660 1.855 1.00 0.00 C ATOM 1231 CD GLU A 73 7.850 14.122 2.050 1.00 0.00 C ATOM 1232 OE1 GLU A 73 7.068 14.839 2.708 1.00 0.00 O ATOM 1233 OE2 GLU A 73 8.911 14.549 1.545 1.00 0.00 O ATOM 0 H GLU A 73 3.720 13.179 1.066 1.00 0.00 H new ATOM 0 HA GLU A 73 6.200 13.339 -0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.459 13.142 2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.747 11.439 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.834 12.090 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.036 12.272 0.990 1.00 0.00 H new ATOM 1240 N TYR A 74 4.656 10.431 -0.368 1.00 0.00 N ATOM 1241 CA TYR A 74 4.650 9.141 -1.048 1.00 0.00 C ATOM 1242 C TYR A 74 4.826 9.351 -2.545 1.00 0.00 C ATOM 1243 O TYR A 74 5.543 8.606 -3.213 1.00 0.00 O ATOM 1244 CB TYR A 74 3.346 8.391 -0.771 1.00 0.00 C ATOM 1245 CG TYR A 74 3.491 6.886 -0.822 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.414 6.230 -0.017 1.00 0.00 C ATOM 1247 CD2 TYR A 74 2.704 6.122 -1.674 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.549 4.855 -0.060 1.00 0.00 C ATOM 1249 CE2 TYR A 74 2.832 4.747 -1.723 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.756 4.120 -0.916 1.00 0.00 C ATOM 1251 OH TYR A 74 3.887 2.751 -0.961 1.00 0.00 O ATOM 0 H TYR A 74 3.846 10.602 0.228 1.00 0.00 H new ATOM 0 HA TYR A 74 5.477 8.540 -0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.973 8.679 0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.597 8.700 -1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.036 6.804 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.980 6.611 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.271 4.360 0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.211 4.167 -2.390 1.00 0.00 H new ATOM 0 HH TYR A 74 3.821 2.446 -1.890 1.00 0.00 H new ATOM 1261 N ASP A 75 4.176 10.391 -3.057 1.00 0.00 N ATOM 1262 CA ASP A 75 4.264 10.729 -4.469 1.00 0.00 C ATOM 1263 C ASP A 75 5.631 11.324 -4.790 1.00 0.00 C ATOM 1264 O ASP A 75 6.147 11.154 -5.895 1.00 0.00 O ATOM 1265 CB ASP A 75 3.159 11.717 -4.850 1.00 0.00 C ATOM 1266 CG ASP A 75 2.689 11.533 -6.279 1.00 0.00 C ATOM 1267 OD1 ASP A 75 2.069 10.489 -6.570 1.00 0.00 O ATOM 1268 OD2 ASP A 75 2.939 12.434 -7.108 1.00 0.00 O ATOM 0 H ASP A 75 3.581 11.015 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 75 4.135 9.816 -5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.314 11.592 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.524 12.735 -4.719 1.00 0.00 H new ATOM 1273 N GLN A 76 6.215 12.024 -3.817 1.00 0.00 N ATOM 1274 CA GLN A 76 7.523 12.641 -4.005 1.00 0.00 C ATOM 1275 C GLN A 76 8.604 11.580 -4.190 1.00 0.00 C ATOM 1276 O GLN A 76 9.577 11.790 -4.915 1.00 0.00 O ATOM 1277 CB GLN A 76 7.865 13.534 -2.810 1.00 0.00 C ATOM 1278 CG GLN A 76 7.689 15.018 -3.091 1.00 0.00 C ATOM 1279 CD GLN A 76 8.207 15.889 -1.963 1.00 0.00 C ATOM 1280 OE1 GLN A 76 8.081 15.545 -0.788 1.00 0.00 O ATOM 1281 NE2 GLN A 76 8.794 17.027 -2.317 1.00 0.00 N ATOM 0 H GLN A 76 5.803 12.176 -2.896 1.00 0.00 H new ATOM 0 HA GLN A 76 7.483 13.253 -4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.234 13.255 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.897 13.349 -2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.212 15.274 -4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.632 15.231 -3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.877 17.273 -3.303 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.162 17.655 -1.602 1.00 0.00 H new ATOM 1290 N LEU A 77 8.427 10.439 -3.532 1.00 0.00 N ATOM 1291 CA LEU A 77 9.387 9.346 -3.624 1.00 0.00 C ATOM 1292 C LEU A 77 8.984 8.356 -4.708 1.00 0.00 C ATOM 1293 O LEU A 77 9.831 7.829 -5.429 1.00 0.00 O ATOM 1294 CB LEU A 77 9.505 8.628 -2.277 1.00 0.00 C ATOM 1295 CG LEU A 77 9.554 9.545 -1.054 1.00 0.00 C ATOM 1296 CD1 LEU A 77 8.987 8.839 0.167 1.00 0.00 C ATOM 1297 CD2 LEU A 77 10.981 10.005 -0.793 1.00 0.00 C ATOM 0 H LEU A 77 7.627 10.248 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 77 10.356 9.769 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.659 7.950 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.406 8.014 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 77 8.940 10.423 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.031 9.508 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.951 8.559 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.573 7.943 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.999 10.657 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.616 9.137 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.352 10.551 -1.661 1.00 0.00 H new ATOM 1309 N THR A 78 7.684 8.104 -4.818 1.00 0.00 N ATOM 1310 CA THR A 78 7.165 7.175 -5.814 1.00 0.00 C ATOM 1311 C THR A 78 6.491 7.928 -6.961 1.00 0.00 C ATOM 1312 O THR A 78 5.379 8.432 -6.811 1.00 0.00 O ATOM 1313 CB THR A 78 6.169 6.210 -5.170 1.00 0.00 C ATOM 1314 OG1 THR A 78 4.929 6.851 -4.932 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.650 5.642 -3.852 1.00 0.00 C ATOM 0 H THR A 78 6.970 8.531 -4.228 1.00 0.00 H new ATOM 0 HA THR A 78 8.003 6.607 -6.217 1.00 0.00 H new ATOM 0 HB THR A 78 6.061 5.392 -5.883 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.053 7.572 -4.280 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.895 4.966 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.580 5.096 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.821 6.455 -3.146 1.00 0.00 H new