USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 552 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 81 ASN : amide:sc= -0.327 X(o=-1.9,f=-1.7) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.669 X(o=-1.9,f=-1.7) USER MOD Set 1.3: A 92 SER OG : rot -130:sc= -0.912 USER MOD Set 2.1: A 52 SER OG : rot -52:sc= 0.942 USER MOD Set 2.2: A 78 TYR OH : rot 3:sc= 1.77 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 37:sc= 0.11 USER MOD Single : A 27 ASN : amide:sc= -2.55! K(o=-2.5!,f=-0.21) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.14 X(o=-2.1,f=-1.9) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 54 SER OG : rot 180:sc= -0.524 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 58 CYS SG : rot 27:sc= 0.159 USER MOD Single : A 66 CYS SG : rot 130:sc= -1.21 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 154:sc= 0.3 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 11 -0.208 15.642 2.083 1.00 0.00 N ATOM 102 CA PRO A 11 -0.601 14.231 2.150 1.00 0.00 C ATOM 103 C PRO A 11 -1.943 13.970 1.473 1.00 0.00 C ATOM 104 O PRO A 11 -2.409 12.832 1.415 1.00 0.00 O ATOM 105 CB PRO A 11 -0.699 13.961 3.653 1.00 0.00 C ATOM 106 CG PRO A 11 -0.979 15.292 4.260 1.00 0.00 C ATOM 107 CD PRO A 11 -0.265 16.298 3.400 1.00 0.00 C ATOM 0 HA PRO A 11 0.109 13.585 1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.494 13.249 3.876 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.227 13.536 4.040 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.050 15.491 4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.622 15.335 5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.805 17.244 3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.732 16.518 3.783 1.00 0.00 H new ATOM 115 N SER A 12 -2.559 15.032 0.962 1.00 0.00 N ATOM 116 CA SER A 12 -3.849 14.917 0.292 1.00 0.00 C ATOM 117 C SER A 12 -3.666 14.727 -1.210 1.00 0.00 C ATOM 118 O SER A 12 -4.488 14.092 -1.872 1.00 0.00 O ATOM 119 CB SER A 12 -4.699 16.161 0.561 1.00 0.00 C ATOM 120 OG SER A 12 -4.077 17.325 0.044 1.00 0.00 O ATOM 0 H SER A 12 -2.186 15.981 0.999 1.00 0.00 H new ATOM 0 HA SER A 12 -4.362 14.042 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.683 16.038 0.107 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.855 16.274 1.634 1.00 0.00 H new ATOM 0 HG SER A 12 -4.640 18.106 0.227 1.00 0.00 H new ATOM 126 N ARG A 13 -2.582 15.283 -1.743 1.00 0.00 N ATOM 127 CA ARG A 13 -2.291 15.176 -3.167 1.00 0.00 C ATOM 128 C ARG A 13 -1.813 13.771 -3.521 1.00 0.00 C ATOM 129 O ARG A 13 -1.706 13.417 -4.695 1.00 0.00 O ATOM 130 CB ARG A 13 -1.231 16.203 -3.571 1.00 0.00 C ATOM 131 CG ARG A 13 -1.676 17.644 -3.381 1.00 0.00 C ATOM 132 CD ARG A 13 -2.346 18.190 -4.632 1.00 0.00 C ATOM 133 NE ARG A 13 -3.768 17.860 -4.680 1.00 0.00 N ATOM 134 CZ ARG A 13 -4.689 18.469 -3.941 1.00 0.00 C ATOM 135 NH1 ARG A 13 -4.339 19.434 -3.102 1.00 0.00 N ATOM 136 NH2 ARG A 13 -5.963 18.113 -4.040 1.00 0.00 N ATOM 0 H ARG A 13 -1.892 15.812 -1.210 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.211 15.377 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.328 16.030 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.967 16.048 -4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.368 17.704 -2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.814 18.262 -3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.224 19.273 -4.665 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.850 17.786 -5.515 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.070 17.122 -5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.360 19.711 -3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.048 19.900 -2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.237 17.371 -4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.669 18.581 -3.472 1.00 0.00 H new ATOM 150 N VAL A 14 -1.525 12.974 -2.496 1.00 0.00 N ATOM 151 CA VAL A 14 -1.059 11.607 -2.698 1.00 0.00 C ATOM 152 C VAL A 14 -2.176 10.719 -3.235 1.00 0.00 C ATOM 153 O VAL A 14 -3.346 10.907 -2.902 1.00 0.00 O ATOM 154 CB VAL A 14 -0.519 10.999 -1.390 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.099 9.634 -1.651 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.490 11.936 -0.745 1.00 0.00 C ATOM 0 H VAL A 14 -1.606 13.252 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.252 11.653 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.352 10.868 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.475 9.220 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.656 8.966 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.921 9.736 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.861 11.491 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.322 12.101 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.010 12.889 -0.521 1.00 0.00 H new ATOM 166 N GLN A 15 -1.807 9.751 -4.068 1.00 0.00 N ATOM 167 CA GLN A 15 -2.778 8.834 -4.651 1.00 0.00 C ATOM 168 C GLN A 15 -2.240 7.407 -4.664 1.00 0.00 C ATOM 169 O GLN A 15 -1.069 7.178 -4.965 1.00 0.00 O ATOM 170 CB GLN A 15 -3.134 9.271 -6.074 1.00 0.00 C ATOM 171 CG GLN A 15 -3.801 10.635 -6.142 1.00 0.00 C ATOM 172 CD GLN A 15 -4.327 10.958 -7.527 1.00 0.00 C ATOM 173 OE1 GLN A 15 -5.526 10.861 -7.786 1.00 0.00 O ATOM 174 NE2 GLN A 15 -3.429 11.345 -8.426 1.00 0.00 N ATOM 0 H GLN A 15 -0.843 9.582 -4.354 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.677 8.858 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.226 9.289 -6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.797 8.529 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.624 10.669 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.086 11.401 -5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.445 11.411 -8.168 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.724 11.576 -9.375 1.00 0.00 H new ATOM 183 N ALA A 16 -3.104 6.451 -4.336 1.00 0.00 N ATOM 184 CA ALA A 16 -2.715 5.047 -4.311 1.00 0.00 C ATOM 185 C ALA A 16 -3.716 4.187 -5.077 1.00 0.00 C ATOM 186 O ALA A 16 -4.912 4.208 -4.790 1.00 0.00 O ATOM 187 CB ALA A 16 -2.588 4.559 -2.876 1.00 0.00 C ATOM 0 H ALA A 16 -4.077 6.624 -4.084 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.746 4.956 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.297 3.509 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.831 5.147 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.545 4.671 -2.367 1.00 0.00 H new ATOM 193 N GLN A 17 -3.217 3.433 -6.051 1.00 0.00 N ATOM 194 CA GLN A 17 -4.069 2.568 -6.858 1.00 0.00 C ATOM 195 C GLN A 17 -3.318 1.312 -7.289 1.00 0.00 C ATOM 196 O GLN A 17 -2.092 1.317 -7.399 1.00 0.00 O ATOM 197 CB GLN A 17 -4.576 3.320 -8.090 1.00 0.00 C ATOM 198 CG GLN A 17 -3.487 3.633 -9.103 1.00 0.00 C ATOM 199 CD GLN A 17 -3.888 4.728 -10.071 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.472 4.460 -11.122 1.00 0.00 O ATOM 201 NE2 GLN A 17 -3.577 5.971 -9.723 1.00 0.00 N ATOM 0 H GLN A 17 -2.228 3.404 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.921 2.269 -6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.351 2.726 -8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.042 4.252 -7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.581 3.933 -8.576 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.246 2.729 -9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.093 6.148 -8.843 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.822 6.749 -10.336 1.00 0.00 H new ATOM 210 N GLY A 18 -4.061 0.237 -7.531 1.00 0.00 N ATOM 211 CA GLY A 18 -3.448 -1.011 -7.947 1.00 0.00 C ATOM 212 C GLY A 18 -4.112 -2.220 -7.319 1.00 0.00 C ATOM 213 O GLY A 18 -5.099 -2.106 -6.592 1.00 0.00 O ATOM 0 H GLY A 18 -5.077 0.208 -7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.501 -1.094 -9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.391 -1.000 -7.679 1.00 0.00 H new ATOM 217 N PRO A 19 -3.566 -3.413 -7.602 1.00 0.00 N ATOM 218 CA PRO A 19 -4.097 -4.672 -7.071 1.00 0.00 C ATOM 219 C PRO A 19 -3.865 -4.812 -5.571 1.00 0.00 C ATOM 220 O PRO A 19 -4.749 -5.247 -4.834 1.00 0.00 O ATOM 221 CB PRO A 19 -3.310 -5.739 -7.836 1.00 0.00 C ATOM 222 CG PRO A 19 -2.039 -5.067 -8.224 1.00 0.00 C ATOM 223 CD PRO A 19 -2.389 -3.624 -8.461 1.00 0.00 C ATOM 0 HA PRO A 19 -5.177 -4.745 -7.199 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.121 -6.614 -7.214 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.859 -6.084 -8.712 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.291 -5.163 -7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.617 -5.519 -9.122 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.568 -2.961 -8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.617 -3.433 -9.510 1.00 0.00 H new ATOM 231 N GLY A 20 -2.670 -4.439 -5.124 1.00 0.00 N ATOM 232 CA GLY A 20 -2.344 -4.530 -3.713 1.00 0.00 C ATOM 233 C GLY A 20 -3.304 -3.743 -2.843 1.00 0.00 C ATOM 234 O GLY A 20 -3.329 -3.911 -1.623 1.00 0.00 O ATOM 0 H GLY A 20 -1.922 -4.075 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.356 -5.576 -3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.330 -4.163 -3.553 1.00 0.00 H new ATOM 238 N LEU A 21 -4.096 -2.881 -3.471 1.00 0.00 N ATOM 239 CA LEU A 21 -5.062 -2.062 -2.746 1.00 0.00 C ATOM 240 C LEU A 21 -6.482 -2.574 -2.966 1.00 0.00 C ATOM 241 O LEU A 21 -7.366 -2.360 -2.137 1.00 0.00 O ATOM 242 CB LEU A 21 -4.959 -0.602 -3.191 1.00 0.00 C ATOM 243 CG LEU A 21 -3.562 0.016 -3.145 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.545 1.353 -3.870 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.100 0.184 -1.704 1.00 0.00 C ATOM 0 H LEU A 21 -4.089 -2.731 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.832 -2.128 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.334 -0.527 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.620 -0.004 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.871 -0.658 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.542 1.778 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.832 1.206 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.249 2.035 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.103 0.625 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.793 0.837 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.072 -0.790 -1.215 1.00 0.00 H new ATOM 257 N LYS A 22 -6.694 -3.252 -4.089 1.00 0.00 N ATOM 258 CA LYS A 22 -8.005 -3.798 -4.418 1.00 0.00 C ATOM 259 C LYS A 22 -8.163 -5.209 -3.859 1.00 0.00 C ATOM 260 O LYS A 22 -9.101 -5.489 -3.114 1.00 0.00 O ATOM 261 CB LYS A 22 -8.208 -3.814 -5.935 1.00 0.00 C ATOM 262 CG LYS A 22 -9.668 -3.824 -6.353 1.00 0.00 C ATOM 263 CD LYS A 22 -10.222 -5.238 -6.411 1.00 0.00 C ATOM 264 CE LYS A 22 -11.741 -5.245 -6.345 1.00 0.00 C ATOM 265 NZ LYS A 22 -12.355 -4.999 -7.679 1.00 0.00 N ATOM 0 H LYS A 22 -5.974 -3.436 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.761 -3.159 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.721 -2.940 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.714 -4.692 -6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.253 -3.232 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.771 -3.352 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.895 -5.721 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.818 -5.822 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.083 -6.205 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.078 -4.481 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.391 -5.011 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.049 -4.072 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.054 -5.742 -8.342 1.00 0.00 H new ATOM 279 N GLU A 23 -7.238 -6.092 -4.223 1.00 0.00 N ATOM 280 CA GLU A 23 -7.276 -7.473 -3.756 1.00 0.00 C ATOM 281 C GLU A 23 -5.870 -8.060 -3.682 1.00 0.00 C ATOM 282 O GLU A 23 -4.974 -7.649 -4.418 1.00 0.00 O ATOM 283 CB GLU A 23 -8.148 -8.324 -4.682 1.00 0.00 C ATOM 284 CG GLU A 23 -7.733 -9.784 -4.736 1.00 0.00 C ATOM 285 CD GLU A 23 -8.730 -10.647 -5.485 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.943 -10.517 -5.218 1.00 0.00 O ATOM 287 OE2 GLU A 23 -8.298 -11.451 -6.337 1.00 0.00 O ATOM 0 H GLU A 23 -6.454 -5.876 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.707 -7.480 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.184 -8.262 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.110 -7.907 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.757 -9.863 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.620 -10.164 -3.720 1.00 0.00 H new ATOM 294 N ALA A 24 -5.684 -9.024 -2.786 1.00 0.00 N ATOM 295 CA ALA A 24 -4.389 -9.670 -2.615 1.00 0.00 C ATOM 296 C ALA A 24 -4.548 -11.170 -2.392 1.00 0.00 C ATOM 297 O ALA A 24 -5.663 -11.692 -2.384 1.00 0.00 O ATOM 298 CB ALA A 24 -3.633 -9.039 -1.455 1.00 0.00 C ATOM 0 H ALA A 24 -6.415 -9.375 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.815 -9.525 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.668 -9.532 -1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.478 -7.979 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.211 -9.154 -0.538 1.00 0.00 H new ATOM 304 N PHE A 25 -3.426 -11.859 -2.212 1.00 0.00 N ATOM 305 CA PHE A 25 -3.441 -13.300 -1.990 1.00 0.00 C ATOM 306 C PHE A 25 -2.383 -13.704 -0.967 1.00 0.00 C ATOM 307 O PHE A 25 -1.485 -12.926 -0.644 1.00 0.00 O ATOM 308 CB PHE A 25 -3.204 -14.043 -3.307 1.00 0.00 C ATOM 309 CG PHE A 25 -4.404 -14.061 -4.209 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.413 -14.992 -4.023 1.00 0.00 C ATOM 311 CD2 PHE A 25 -4.523 -13.147 -5.244 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.520 -15.011 -4.852 1.00 0.00 C ATOM 313 CE2 PHE A 25 -5.627 -13.161 -6.075 1.00 0.00 C ATOM 314 CZ PHE A 25 -6.626 -14.095 -5.880 1.00 0.00 C ATOM 0 H PHE A 25 -2.495 -11.443 -2.216 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.421 -13.572 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.371 -13.577 -3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.909 -15.069 -3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.334 -15.711 -3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.744 -12.416 -5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.300 -15.741 -4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.709 -12.442 -6.877 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.488 -14.109 -6.530 1.00 0.00 H new ATOM 324 N THR A 26 -2.495 -14.928 -0.460 1.00 0.00 N ATOM 325 CA THR A 26 -1.551 -15.436 0.527 1.00 0.00 C ATOM 326 C THR A 26 -0.257 -15.895 -0.136 1.00 0.00 C ATOM 327 O THR A 26 -0.276 -16.696 -1.069 1.00 0.00 O ATOM 328 CB THR A 26 -2.150 -16.610 1.324 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.660 -17.603 0.427 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.263 -16.129 2.242 1.00 0.00 C ATOM 0 H THR A 26 -3.231 -15.586 -0.717 1.00 0.00 H new ATOM 0 HA THR A 26 -1.335 -14.615 1.210 1.00 0.00 H new ATOM 0 HB THR A 26 -1.359 -17.046 1.935 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.072 -17.671 -0.354 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.671 -16.976 2.794 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.865 -15.396 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.053 -15.670 1.647 1.00 0.00 H new ATOM 338 N ASN A 27 0.867 -15.381 0.354 1.00 0.00 N ATOM 339 CA ASN A 27 2.172 -15.738 -0.192 1.00 0.00 C ATOM 340 C ASN A 27 2.282 -15.322 -1.655 1.00 0.00 C ATOM 341 O ASN A 27 2.953 -15.979 -2.451 1.00 0.00 O ATOM 342 CB ASN A 27 2.408 -17.244 -0.059 1.00 0.00 C ATOM 343 CG ASN A 27 2.497 -17.690 1.388 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.506 -18.250 1.815 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.437 -17.443 2.149 1.00 0.00 N ATOM 0 H ASN A 27 0.900 -14.717 1.127 1.00 0.00 H new ATOM 0 HA ASN A 27 2.934 -15.205 0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.598 -17.781 -0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.329 -17.512 -0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.438 -17.720 3.131 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.622 -16.976 1.752 1.00 0.00 H new ATOM 352 N LYS A 28 1.619 -14.224 -2.004 1.00 0.00 N ATOM 353 CA LYS A 28 1.643 -13.717 -3.371 1.00 0.00 C ATOM 354 C LYS A 28 2.137 -12.275 -3.408 1.00 0.00 C ATOM 355 O LYS A 28 1.858 -11.475 -2.515 1.00 0.00 O ATOM 356 CB LYS A 28 0.248 -13.805 -3.994 1.00 0.00 C ATOM 357 CG LYS A 28 -0.137 -15.209 -4.429 1.00 0.00 C ATOM 358 CD LYS A 28 -1.080 -15.185 -5.620 1.00 0.00 C ATOM 359 CE LYS A 28 -0.316 -15.178 -6.935 1.00 0.00 C ATOM 360 NZ LYS A 28 -1.185 -15.554 -8.084 1.00 0.00 N ATOM 0 H LYS A 28 1.058 -13.668 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 28 2.332 -14.334 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.486 -13.443 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.202 -13.141 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.761 -15.770 -4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.612 -15.731 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.736 -16.055 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.717 -14.302 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.103 -14.186 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.522 -15.872 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.627 -15.537 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.565 -16.510 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.971 -14.877 -8.161 1.00 0.00 H new ATOM 374 N PRO A 29 2.889 -11.933 -4.465 1.00 0.00 N ATOM 375 CA PRO A 29 3.436 -10.585 -4.644 1.00 0.00 C ATOM 376 C PRO A 29 2.354 -9.557 -4.956 1.00 0.00 C ATOM 377 O PRO A 29 1.793 -9.545 -6.051 1.00 0.00 O ATOM 378 CB PRO A 29 4.384 -10.742 -5.835 1.00 0.00 C ATOM 379 CG PRO A 29 3.849 -11.907 -6.594 1.00 0.00 C ATOM 380 CD PRO A 29 3.262 -12.835 -5.567 1.00 0.00 C ATOM 0 HA PRO A 29 3.923 -10.219 -3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.399 -9.842 -6.450 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.408 -10.920 -5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.092 -11.591 -7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.639 -12.401 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.397 -13.371 -5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.984 -13.586 -5.245 1.00 0.00 H new ATOM 388 N ASN A 30 2.066 -8.694 -3.987 1.00 0.00 N ATOM 389 CA ASN A 30 1.051 -7.661 -4.160 1.00 0.00 C ATOM 390 C ASN A 30 1.679 -6.271 -4.135 1.00 0.00 C ATOM 391 O ASN A 30 2.236 -5.848 -3.122 1.00 0.00 O ATOM 392 CB ASN A 30 -0.012 -7.773 -3.064 1.00 0.00 C ATOM 393 CG ASN A 30 -0.277 -9.211 -2.661 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.039 -9.921 -3.316 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.354 -9.647 -1.576 1.00 0.00 N ATOM 0 H ASN A 30 2.521 -8.690 -3.074 1.00 0.00 H new ATOM 0 HA ASN A 30 0.579 -7.809 -5.131 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.310 -7.207 -2.190 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.940 -7.320 -3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.215 -10.605 -1.256 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.977 -9.023 -1.063 1.00 0.00 H new ATOM 402 N VAL A 31 1.583 -5.564 -5.256 1.00 0.00 N ATOM 403 CA VAL A 31 2.140 -4.221 -5.363 1.00 0.00 C ATOM 404 C VAL A 31 1.067 -3.210 -5.751 1.00 0.00 C ATOM 405 O VAL A 31 -0.062 -3.581 -6.074 1.00 0.00 O ATOM 406 CB VAL A 31 3.279 -4.166 -6.398 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.326 -5.229 -6.098 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.728 -4.332 -7.806 1.00 0.00 C ATOM 0 H VAL A 31 1.125 -5.899 -6.103 1.00 0.00 H new ATOM 0 HA VAL A 31 2.538 -3.965 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 31 3.758 -3.189 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.123 -5.175 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.743 -5.059 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.864 -6.215 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.547 -4.291 -8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.222 -5.294 -7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.020 -3.531 -8.016 1.00 0.00 H new ATOM 418 N PHE A 32 1.426 -1.931 -5.717 1.00 0.00 N ATOM 419 CA PHE A 32 0.493 -0.866 -6.065 1.00 0.00 C ATOM 420 C PHE A 32 1.241 0.387 -6.513 1.00 0.00 C ATOM 421 O PHE A 32 2.386 0.615 -6.121 1.00 0.00 O ATOM 422 CB PHE A 32 -0.407 -0.537 -4.872 1.00 0.00 C ATOM 423 CG PHE A 32 0.340 -0.406 -3.576 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.623 -1.524 -2.808 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.761 0.835 -3.126 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.309 -1.406 -1.614 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.448 0.959 -1.933 1.00 0.00 C ATOM 428 CZ PHE A 32 1.723 -0.163 -1.177 1.00 0.00 C ATOM 0 H PHE A 32 2.356 -1.607 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.125 -1.215 -6.892 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.937 0.394 -5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.161 -1.317 -4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.304 -2.499 -3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.550 1.716 -3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.521 -2.285 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.769 1.932 -1.593 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.261 -0.069 -0.245 1.00 0.00 H new ATOM 438 N THR A 33 0.585 1.197 -7.338 1.00 0.00 N ATOM 439 CA THR A 33 1.187 2.426 -7.841 1.00 0.00 C ATOM 440 C THR A 33 0.873 3.605 -6.928 1.00 0.00 C ATOM 441 O THR A 33 -0.291 3.909 -6.668 1.00 0.00 O ATOM 442 CB THR A 33 0.697 2.749 -9.265 1.00 0.00 C ATOM 443 OG1 THR A 33 0.874 1.610 -10.114 1.00 0.00 O ATOM 444 CG2 THR A 33 1.451 3.938 -9.840 1.00 0.00 C ATOM 0 H THR A 33 -0.363 1.024 -7.672 1.00 0.00 H new ATOM 0 HA THR A 33 2.265 2.264 -7.863 1.00 0.00 H new ATOM 0 HB THR A 33 -0.362 3.001 -9.212 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.558 1.823 -11.017 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.088 4.147 -10.846 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.291 4.811 -9.207 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.516 3.709 -9.879 1.00 0.00 H new ATOM 452 N VAL A 34 1.919 4.268 -6.444 1.00 0.00 N ATOM 453 CA VAL A 34 1.755 5.416 -5.561 1.00 0.00 C ATOM 454 C VAL A 34 2.305 6.686 -6.202 1.00 0.00 C ATOM 455 O VAL A 34 3.510 6.810 -6.423 1.00 0.00 O ATOM 456 CB VAL A 34 2.457 5.190 -4.209 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.291 6.406 -3.311 1.00 0.00 C ATOM 458 CG2 VAL A 34 1.919 3.939 -3.532 1.00 0.00 C ATOM 0 H VAL A 34 2.889 4.029 -6.649 1.00 0.00 H new ATOM 0 HA VAL A 34 0.685 5.533 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 34 3.522 5.047 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.794 6.228 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.730 7.278 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.231 6.585 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.426 3.795 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.848 4.050 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.096 3.074 -4.172 1.00 0.00 H new ATOM 468 N VAL A 35 1.415 7.627 -6.498 1.00 0.00 N ATOM 469 CA VAL A 35 1.811 8.888 -7.112 1.00 0.00 C ATOM 470 C VAL A 35 2.000 9.976 -6.061 1.00 0.00 C ATOM 471 O VAL A 35 1.106 10.239 -5.255 1.00 0.00 O ATOM 472 CB VAL A 35 0.771 9.362 -8.144 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.166 10.713 -8.721 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.609 8.329 -9.249 1.00 0.00 C ATOM 0 H VAL A 35 0.414 7.540 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 35 2.759 8.708 -7.619 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.189 9.476 -7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.419 11.031 -9.448 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.227 11.448 -7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.136 10.630 -9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.130 8.680 -9.970 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.565 8.181 -9.752 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.276 7.385 -8.818 1.00 0.00 H new ATOM 484 N THR A 36 3.169 10.608 -6.073 1.00 0.00 N ATOM 485 CA THR A 36 3.476 11.668 -5.121 1.00 0.00 C ATOM 486 C THR A 36 4.091 12.875 -5.820 1.00 0.00 C ATOM 487 O THR A 36 4.973 13.537 -5.274 1.00 0.00 O ATOM 488 CB THR A 36 4.441 11.176 -4.026 1.00 0.00 C ATOM 489 OG1 THR A 36 5.584 10.554 -4.623 1.00 0.00 O ATOM 490 CG2 THR A 36 3.749 10.191 -3.097 1.00 0.00 C ATOM 0 H THR A 36 3.920 10.404 -6.733 1.00 0.00 H new ATOM 0 HA THR A 36 2.533 11.961 -4.660 1.00 0.00 H new ATOM 0 HB THR A 36 4.761 12.038 -3.441 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.193 10.246 -3.920 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.451 9.858 -2.332 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.897 10.677 -2.621 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.403 9.331 -3.671 1.00 0.00 H new ATOM 579 N LEU A 44 7.974 8.833 2.988 1.00 0.00 N ATOM 580 CA LEU A 44 6.806 7.968 2.869 1.00 0.00 C ATOM 581 C LEU A 44 6.981 6.700 3.699 1.00 0.00 C ATOM 582 O LEU A 44 7.961 5.973 3.541 1.00 0.00 O ATOM 583 CB LEU A 44 6.564 7.603 1.404 1.00 0.00 C ATOM 584 CG LEU A 44 5.519 6.516 1.146 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.164 6.938 1.691 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.426 6.207 -0.341 1.00 0.00 C ATOM 0 HA LEU A 44 5.941 8.512 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.261 8.504 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.510 7.280 0.970 1.00 0.00 H new ATOM 0 HG LEU A 44 5.830 5.610 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.434 6.152 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.240 7.107 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.845 7.858 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.678 5.432 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.140 7.108 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.394 5.859 -0.702 1.00 0.00 H new ATOM 598 N GLY A 45 6.022 6.439 4.582 1.00 0.00 N ATOM 599 CA GLY A 45 6.089 5.257 5.422 1.00 0.00 C ATOM 600 C GLY A 45 4.928 4.311 5.184 1.00 0.00 C ATOM 601 O GLY A 45 3.843 4.499 5.735 1.00 0.00 O ATOM 0 H GLY A 45 5.200 7.025 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.026 4.733 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.099 5.559 6.469 1.00 0.00 H new ATOM 605 N ILE A 46 5.156 3.293 4.361 1.00 0.00 N ATOM 606 CA ILE A 46 4.120 2.315 4.052 1.00 0.00 C ATOM 607 C ILE A 46 4.286 1.054 4.893 1.00 0.00 C ATOM 608 O ILE A 46 5.373 0.481 4.967 1.00 0.00 O ATOM 609 CB ILE A 46 4.137 1.930 2.561 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.994 3.178 1.688 1.00 0.00 C ATOM 611 CG2 ILE A 46 3.026 0.935 2.258 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.671 3.053 0.340 1.00 0.00 C ATOM 0 H ILE A 46 6.048 3.124 3.896 1.00 0.00 H new ATOM 0 HA ILE A 46 3.164 2.783 4.288 1.00 0.00 H new ATOM 0 HB ILE A 46 5.093 1.458 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.935 3.386 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.414 4.033 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.051 0.673 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.169 0.036 2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.061 1.382 2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.529 3.974 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.737 2.876 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.235 2.219 -0.210 1.00 0.00 H new ATOM 624 N THR A 47 3.198 0.624 5.526 1.00 0.00 N ATOM 625 CA THR A 47 3.222 -0.569 6.362 1.00 0.00 C ATOM 626 C THR A 47 1.943 -1.382 6.196 1.00 0.00 C ATOM 627 O THR A 47 0.908 -0.854 5.791 1.00 0.00 O ATOM 628 CB THR A 47 3.399 -0.210 7.849 1.00 0.00 C ATOM 629 OG1 THR A 47 2.558 0.898 8.189 1.00 0.00 O ATOM 630 CG2 THR A 47 4.849 0.135 8.154 1.00 0.00 C ATOM 0 H THR A 47 2.290 1.085 5.475 1.00 0.00 H new ATOM 0 HA THR A 47 4.074 -1.166 6.036 1.00 0.00 H new ATOM 0 HB THR A 47 3.116 -1.077 8.445 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.675 1.119 9.137 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.949 0.385 9.210 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.483 -0.721 7.922 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.155 0.988 7.549 1.00 0.00 H new ATOM 638 N VAL A 48 2.021 -2.671 6.513 1.00 0.00 N ATOM 639 CA VAL A 48 0.869 -3.557 6.400 1.00 0.00 C ATOM 640 C VAL A 48 0.528 -4.188 7.745 1.00 0.00 C ATOM 641 O VAL A 48 1.411 -4.647 8.468 1.00 0.00 O ATOM 642 CB VAL A 48 1.118 -4.674 5.370 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.052 -5.645 5.341 1.00 0.00 C ATOM 644 CG2 VAL A 48 1.364 -4.081 3.991 1.00 0.00 C ATOM 0 H VAL A 48 2.870 -3.124 6.850 1.00 0.00 H new ATOM 0 HA VAL A 48 0.031 -2.945 6.065 1.00 0.00 H new ATOM 0 HB VAL A 48 2.009 -5.226 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.142 -6.427 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.176 -6.094 6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.962 -5.110 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.538 -4.884 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.493 -3.503 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.238 -3.430 4.025 1.00 0.00 H new ATOM 654 N GLU A 49 -0.760 -4.208 8.074 1.00 0.00 N ATOM 655 CA GLU A 49 -1.218 -4.783 9.333 1.00 0.00 C ATOM 656 C GLU A 49 -2.313 -5.818 9.093 1.00 0.00 C ATOM 657 O GLU A 49 -3.244 -5.585 8.322 1.00 0.00 O ATOM 658 CB GLU A 49 -1.735 -3.684 10.264 1.00 0.00 C ATOM 659 CG GLU A 49 -0.636 -2.966 11.028 1.00 0.00 C ATOM 660 CD GLU A 49 -1.163 -2.195 12.222 1.00 0.00 C ATOM 661 OE1 GLU A 49 -1.825 -1.157 12.014 1.00 0.00 O ATOM 662 OE2 GLU A 49 -0.913 -2.630 13.366 1.00 0.00 O ATOM 0 H GLU A 49 -1.504 -3.833 7.486 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.370 -5.280 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.293 -2.955 9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.434 -4.122 10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.101 -3.694 11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.120 -2.280 10.356 1.00 0.00 H new ATOM 669 N GLY A 50 -2.194 -6.963 9.758 1.00 0.00 N ATOM 670 CA GLY A 50 -3.180 -8.017 9.604 1.00 0.00 C ATOM 671 C GLY A 50 -2.972 -9.153 10.585 1.00 0.00 C ATOM 672 O GLY A 50 -2.263 -9.019 11.582 1.00 0.00 O ATOM 0 H GLY A 50 -1.432 -7.180 10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.178 -7.600 9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.135 -8.407 8.587 1.00 0.00 H new ATOM 676 N PRO A 51 -3.603 -10.304 10.305 1.00 0.00 N ATOM 677 CA PRO A 51 -3.500 -11.490 11.160 1.00 0.00 C ATOM 678 C PRO A 51 -2.113 -12.124 11.108 1.00 0.00 C ATOM 679 O PRO A 51 -1.835 -13.090 11.818 1.00 0.00 O ATOM 680 CB PRO A 51 -4.545 -12.442 10.572 1.00 0.00 C ATOM 681 CG PRO A 51 -4.682 -12.023 9.150 1.00 0.00 C ATOM 682 CD PRO A 51 -4.464 -10.535 9.134 1.00 0.00 C ATOM 0 HA PRO A 51 -3.664 -11.251 12.211 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.222 -13.480 10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.495 -12.363 11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.951 -12.531 8.521 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.668 -12.277 8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.984 -10.209 8.211 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.405 -9.990 9.213 1.00 0.00 H new ATOM 690 N SER A 52 -1.247 -11.573 10.264 1.00 0.00 N ATOM 691 CA SER A 52 0.109 -12.086 10.117 1.00 0.00 C ATOM 692 C SER A 52 1.027 -11.029 9.510 1.00 0.00 C ATOM 693 O SER A 52 0.575 -10.138 8.792 1.00 0.00 O ATOM 694 CB SER A 52 0.111 -13.342 9.243 1.00 0.00 C ATOM 695 OG SER A 52 -0.275 -13.038 7.913 1.00 0.00 O ATOM 0 H SER A 52 -1.461 -10.771 9.671 1.00 0.00 H new ATOM 0 HA SER A 52 0.483 -12.342 11.108 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.106 -13.788 9.244 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.570 -14.082 9.663 1.00 0.00 H new ATOM 0 HG SER A 52 -1.119 -12.539 7.923 1.00 0.00 H new ATOM 701 N GLU A 53 2.319 -11.137 9.805 1.00 0.00 N ATOM 702 CA GLU A 53 3.301 -10.190 9.289 1.00 0.00 C ATOM 703 C GLU A 53 3.571 -10.439 7.807 1.00 0.00 C ATOM 704 O GLU A 53 3.913 -11.551 7.406 1.00 0.00 O ATOM 705 CB GLU A 53 4.607 -10.294 10.080 1.00 0.00 C ATOM 706 CG GLU A 53 5.515 -9.087 9.916 1.00 0.00 C ATOM 707 CD GLU A 53 6.875 -9.288 10.557 1.00 0.00 C ATOM 708 OE1 GLU A 53 7.523 -10.315 10.265 1.00 0.00 O ATOM 709 OE2 GLU A 53 7.290 -8.418 11.351 1.00 0.00 O ATOM 0 H GLU A 53 2.710 -11.870 10.398 1.00 0.00 H new ATOM 0 HA GLU A 53 2.894 -9.185 9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.373 -10.421 11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.144 -11.188 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.645 -8.877 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.035 -8.213 10.357 1.00 0.00 H new ATOM 716 N SER A 54 3.413 -9.395 7.000 1.00 0.00 N ATOM 717 CA SER A 54 3.634 -9.500 5.562 1.00 0.00 C ATOM 718 C SER A 54 5.020 -8.985 5.187 1.00 0.00 C ATOM 719 O SER A 54 5.537 -8.051 5.803 1.00 0.00 O ATOM 720 CB SER A 54 2.563 -8.716 4.801 1.00 0.00 C ATOM 721 OG SER A 54 1.263 -9.166 5.142 1.00 0.00 O ATOM 0 H SER A 54 3.133 -8.467 7.317 1.00 0.00 H new ATOM 0 HA SER A 54 3.569 -10.552 5.285 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.655 -7.654 5.028 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.720 -8.827 3.728 1.00 0.00 H new ATOM 0 HG SER A 54 0.596 -8.648 4.644 1.00 0.00 H new ATOM 727 N LYS A 55 5.619 -9.600 4.173 1.00 0.00 N ATOM 728 CA LYS A 55 6.944 -9.204 3.713 1.00 0.00 C ATOM 729 C LYS A 55 6.866 -7.966 2.826 1.00 0.00 C ATOM 730 O LYS A 55 6.624 -8.066 1.623 1.00 0.00 O ATOM 731 CB LYS A 55 7.604 -10.353 2.945 1.00 0.00 C ATOM 732 CG LYS A 55 8.414 -11.287 3.826 1.00 0.00 C ATOM 733 CD LYS A 55 9.510 -11.985 3.039 1.00 0.00 C ATOM 734 CE LYS A 55 9.823 -13.357 3.616 1.00 0.00 C ATOM 735 NZ LYS A 55 10.383 -13.266 4.993 1.00 0.00 N ATOM 0 H LYS A 55 5.207 -10.375 3.654 1.00 0.00 H new ATOM 0 HA LYS A 55 7.548 -8.964 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.832 -10.928 2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.255 -9.938 2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.857 -10.722 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.754 -12.031 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.203 -12.088 1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.411 -11.372 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.915 -13.960 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.534 -13.870 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.583 -14.222 5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.263 -12.713 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.694 -12.800 5.618 1.00 0.00 H new ATOM 749 N ILE A 56 7.073 -6.799 3.428 1.00 0.00 N ATOM 750 CA ILE A 56 7.028 -5.542 2.692 1.00 0.00 C ATOM 751 C ILE A 56 8.402 -5.178 2.141 1.00 0.00 C ATOM 752 O ILE A 56 9.427 -5.482 2.750 1.00 0.00 O ATOM 753 CB ILE A 56 6.521 -4.389 3.578 1.00 0.00 C ATOM 754 CG1 ILE A 56 5.013 -4.515 3.803 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.857 -3.047 2.944 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.487 -3.606 4.892 1.00 0.00 C ATOM 0 H ILE A 56 7.273 -6.698 4.423 1.00 0.00 H new ATOM 0 HA ILE A 56 6.334 -5.686 1.864 1.00 0.00 H new ATOM 0 HB ILE A 56 7.020 -4.447 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.495 -4.290 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.777 -5.548 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.492 -2.242 3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.937 -2.959 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.382 -2.978 1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.411 -3.748 4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.978 -3.846 5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.692 -2.568 4.630 1.00 0.00 H new ATOM 768 N ASN A 57 8.416 -4.523 0.984 1.00 0.00 N ATOM 769 CA ASN A 57 9.665 -4.116 0.350 1.00 0.00 C ATOM 770 C ASN A 57 9.471 -2.841 -0.464 1.00 0.00 C ATOM 771 O ASN A 57 8.790 -2.845 -1.491 1.00 0.00 O ATOM 772 CB ASN A 57 10.192 -5.235 -0.550 1.00 0.00 C ATOM 773 CG ASN A 57 10.881 -6.334 0.236 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.960 -6.132 0.791 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.257 -7.505 0.285 1.00 0.00 N ATOM 0 H ASN A 57 7.576 -4.263 0.467 1.00 0.00 H new ATOM 0 HA ASN A 57 10.395 -3.917 1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.364 -5.662 -1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.892 -4.816 -1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.672 -8.283 0.798 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.363 -7.627 -0.191 1.00 0.00 H new ATOM 782 N CYS A 58 10.074 -1.752 0.000 1.00 0.00 N ATOM 783 CA CYS A 58 9.968 -0.469 -0.685 1.00 0.00 C ATOM 784 C CYS A 58 11.010 -0.356 -1.793 1.00 0.00 C ATOM 785 O CYS A 58 12.164 -0.748 -1.616 1.00 0.00 O ATOM 786 CB CYS A 58 10.138 0.680 0.310 1.00 0.00 C ATOM 787 SG CYS A 58 11.779 0.767 1.064 1.00 0.00 S ATOM 0 H CYS A 58 10.641 -1.732 0.848 1.00 0.00 H new ATOM 0 HA CYS A 58 8.977 -0.407 -1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.934 1.621 -0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.393 0.577 1.099 1.00 0.00 H new ATOM 0 HG CYS A 58 12.654 0.237 0.262 1.00 0.00 H new ATOM 895 N CYS A 66 6.491 6.044 -6.434 1.00 0.00 N ATOM 896 CA CYS A 66 7.005 5.113 -5.436 1.00 0.00 C ATOM 897 C CYS A 66 6.387 3.730 -5.614 1.00 0.00 C ATOM 898 O CYS A 66 5.218 3.603 -5.975 1.00 0.00 O ATOM 899 CB CYS A 66 6.720 5.635 -4.027 1.00 0.00 C ATOM 900 SG CYS A 66 7.681 4.819 -2.730 1.00 0.00 S ATOM 0 HA CYS A 66 8.083 5.030 -5.573 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.926 6.705 -3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.659 5.509 -3.812 1.00 0.00 H new ATOM 0 HG CYS A 66 8.245 5.717 -1.978 1.00 0.00 H new ATOM 906 N SER A 67 7.182 2.695 -5.358 1.00 0.00 N ATOM 907 CA SER A 67 6.715 1.321 -5.495 1.00 0.00 C ATOM 908 C SER A 67 6.790 0.586 -4.160 1.00 0.00 C ATOM 909 O SER A 67 7.761 0.724 -3.417 1.00 0.00 O ATOM 910 CB SER A 67 7.545 0.580 -6.545 1.00 0.00 C ATOM 911 OG SER A 67 6.779 -0.426 -7.185 1.00 0.00 O ATOM 0 H SER A 67 8.152 2.783 -5.055 1.00 0.00 H new ATOM 0 HA SER A 67 5.674 1.348 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.914 1.288 -7.287 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.418 0.131 -6.072 1.00 0.00 H new ATOM 0 HG SER A 67 7.332 -0.883 -7.852 1.00 0.00 H new ATOM 917 N ALA A 68 5.757 -0.196 -3.864 1.00 0.00 N ATOM 918 CA ALA A 68 5.706 -0.955 -2.620 1.00 0.00 C ATOM 919 C ALA A 68 5.115 -2.342 -2.847 1.00 0.00 C ATOM 920 O ALA A 68 4.013 -2.477 -3.378 1.00 0.00 O ATOM 921 CB ALA A 68 4.899 -0.200 -1.574 1.00 0.00 C ATOM 0 H ALA A 68 4.945 -0.321 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 68 6.726 -1.079 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.869 -0.778 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.365 0.766 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.883 -0.047 -1.939 1.00 0.00 H new ATOM 927 N GLU A 69 5.855 -3.369 -2.442 1.00 0.00 N ATOM 928 CA GLU A 69 5.403 -4.746 -2.604 1.00 0.00 C ATOM 929 C GLU A 69 5.309 -5.450 -1.253 1.00 0.00 C ATOM 930 O GLU A 69 6.210 -5.342 -0.420 1.00 0.00 O ATOM 931 CB GLU A 69 6.353 -5.513 -3.526 1.00 0.00 C ATOM 932 CG GLU A 69 7.717 -5.779 -2.910 1.00 0.00 C ATOM 933 CD GLU A 69 8.607 -6.619 -3.805 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.190 -7.735 -4.179 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.721 -6.159 -4.132 1.00 0.00 O ATOM 0 H GLU A 69 6.769 -3.274 -2.000 1.00 0.00 H new ATOM 0 HA GLU A 69 4.410 -4.725 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.894 -6.464 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.484 -4.948 -4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.209 -4.829 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.587 -6.286 -1.954 1.00 0.00 H new ATOM 942 N TYR A 70 4.213 -6.171 -1.043 1.00 0.00 N ATOM 943 CA TYR A 70 3.999 -6.891 0.207 1.00 0.00 C ATOM 944 C TYR A 70 3.473 -8.298 -0.058 1.00 0.00 C ATOM 945 O TYR A 70 2.843 -8.554 -1.085 1.00 0.00 O ATOM 946 CB TYR A 70 3.019 -6.126 1.098 1.00 0.00 C ATOM 947 CG TYR A 70 1.592 -6.162 0.598 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.776 -7.259 0.844 1.00 0.00 C ATOM 949 CD2 TYR A 70 1.060 -5.098 -0.120 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.527 -7.296 0.389 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.243 -5.125 -0.578 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.032 -6.227 -0.321 1.00 0.00 C ATOM 953 OH TYR A 70 -2.331 -6.259 -0.776 1.00 0.00 O ATOM 0 H TYR A 70 3.459 -6.272 -1.722 1.00 0.00 H new ATOM 0 HA TYR A 70 4.958 -6.973 0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.053 -6.544 2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.343 -5.088 1.173 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.168 -8.097 1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.676 -4.235 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.147 -8.157 0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.641 -4.289 -1.134 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.665 -5.343 -0.878 1.00 0.00 H new ATOM 963 N ILE A 71 3.735 -9.206 0.876 1.00 0.00 N ATOM 964 CA ILE A 71 3.287 -10.587 0.746 1.00 0.00 C ATOM 965 C ILE A 71 2.850 -11.152 2.092 1.00 0.00 C ATOM 966 O ILE A 71 3.666 -11.436 2.969 1.00 0.00 O ATOM 967 CB ILE A 71 4.392 -11.484 0.159 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.875 -10.926 -1.181 1.00 0.00 C ATOM 969 CG2 ILE A 71 3.886 -12.909 -0.006 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.245 -11.425 -1.586 1.00 0.00 C ATOM 0 H ILE A 71 4.255 -9.010 1.731 1.00 0.00 H new ATOM 0 HA ILE A 71 2.436 -10.580 0.065 1.00 0.00 H new ATOM 0 HB ILE A 71 5.234 -11.496 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.157 -11.192 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.896 -9.838 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.679 -13.531 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.587 -13.304 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.029 -12.915 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.522 -10.988 -2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.976 -11.136 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.225 -12.511 -1.674 1.00 0.00 H new ATOM 982 N PRO A 72 1.530 -11.322 2.263 1.00 0.00 N ATOM 983 CA PRO A 72 0.954 -11.858 3.500 1.00 0.00 C ATOM 984 C PRO A 72 1.268 -13.337 3.692 1.00 0.00 C ATOM 985 O PRO A 72 1.763 -14.001 2.781 1.00 0.00 O ATOM 986 CB PRO A 72 -0.551 -11.651 3.308 1.00 0.00 C ATOM 987 CG PRO A 72 -0.745 -11.627 1.832 1.00 0.00 C ATOM 988 CD PRO A 72 0.499 -11.005 1.260 1.00 0.00 C ATOM 0 HA PRO A 72 1.357 -11.365 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.123 -12.456 3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.884 -10.720 3.766 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.893 -12.634 1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.629 -11.048 1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.745 -11.423 0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.386 -9.929 1.126 1.00 0.00 H new ATOM 996 N PHE A 73 0.978 -13.849 4.884 1.00 0.00 N ATOM 997 CA PHE A 73 1.231 -15.251 5.196 1.00 0.00 C ATOM 998 C PHE A 73 -0.055 -15.952 5.625 1.00 0.00 C ATOM 999 O PHE A 73 -0.112 -17.180 5.691 1.00 0.00 O ATOM 1000 CB PHE A 73 2.282 -15.367 6.302 1.00 0.00 C ATOM 1001 CG PHE A 73 3.662 -14.972 5.860 1.00 0.00 C ATOM 1002 CD1 PHE A 73 3.936 -13.668 5.483 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.686 -15.906 5.822 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.206 -13.301 5.076 1.00 0.00 C ATOM 1005 CE2 PHE A 73 5.957 -15.545 5.417 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.217 -14.241 5.042 1.00 0.00 C ATOM 0 H PHE A 73 0.568 -13.314 5.649 1.00 0.00 H new ATOM 0 HA PHE A 73 1.606 -15.737 4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.985 -14.740 7.142 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.305 -16.395 6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.149 -12.929 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.488 -16.927 6.112 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.407 -12.280 4.785 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.746 -16.282 5.394 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.209 -13.957 4.723 1.00 0.00 H new ATOM 1016 N ALA A 74 -1.083 -15.163 5.917 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.368 -15.707 6.339 1.00 0.00 C ATOM 1018 C ALA A 74 -3.524 -14.889 5.772 1.00 0.00 C ATOM 1019 O ALA A 74 -3.436 -13.670 5.617 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.448 -15.756 7.857 1.00 0.00 C ATOM 0 H ALA A 74 -1.051 -14.145 5.869 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.450 -16.722 5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.413 -16.164 8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.650 -16.390 8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.339 -14.749 8.260 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.633 -15.571 5.454 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.828 -14.927 4.900 1.00 0.00 C ATOM 1028 C PRO A 75 -6.542 -14.051 5.923 1.00 0.00 C ATOM 1029 O PRO A 75 -6.478 -14.305 7.125 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.713 -16.108 4.496 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.281 -17.226 5.382 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.808 -17.025 5.612 1.00 0.00 C ATOM 0 HA PRO A 75 -5.584 -14.258 4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.769 -15.877 4.636 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.579 -16.362 3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.829 -17.212 6.324 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.475 -18.192 4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.507 -17.360 6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.209 -17.582 4.892 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.222 -13.016 5.438 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.939 -12.119 6.325 1.00 0.00 C ATOM 1042 C GLY A 76 -8.025 -10.708 5.776 1.00 0.00 C ATOM 1043 O GLY A 76 -7.717 -10.469 4.608 1.00 0.00 O ATOM 0 H GLY A 76 -7.289 -12.783 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.946 -12.504 6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.443 -12.099 7.295 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.446 -9.772 6.619 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.573 -8.377 6.212 1.00 0.00 C ATOM 1049 C ASP A 77 -7.367 -7.565 6.674 1.00 0.00 C ATOM 1050 O ASP A 77 -7.189 -7.324 7.869 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.858 -7.773 6.778 1.00 0.00 C ATOM 1052 CG ASP A 77 -9.966 -7.944 8.280 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -9.352 -7.143 9.014 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -10.664 -8.881 8.723 1.00 0.00 O ATOM 0 H ASP A 77 -8.705 -9.954 7.589 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.615 -8.344 5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.896 -6.712 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.718 -8.242 6.299 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.542 -7.145 5.722 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.352 -6.362 6.031 1.00 0.00 C ATOM 1061 C TYR A 78 -5.620 -4.871 5.858 1.00 0.00 C ATOM 1062 O TYR A 78 -6.533 -4.473 5.134 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.187 -6.790 5.136 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.606 -8.137 5.502 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.382 -9.288 5.450 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.280 -8.258 5.900 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.855 -10.521 5.783 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.745 -9.487 6.234 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.536 -10.615 6.174 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.006 -11.841 6.507 1.00 0.00 O ATOM 0 H TYR A 78 -6.676 -7.334 4.729 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.088 -6.546 7.072 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.527 -6.819 4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.401 -6.037 5.192 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.415 -9.218 5.144 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.658 -7.377 5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.472 -11.406 5.737 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.712 -9.564 6.541 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.681 -12.538 6.369 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.818 -4.050 6.527 1.00 0.00 N ATOM 1081 CA ASP A 79 -4.966 -2.602 6.447 1.00 0.00 C ATOM 1082 C ASP A 79 -3.636 -1.938 6.102 1.00 0.00 C ATOM 1083 O ASP A 79 -2.750 -1.822 6.948 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.498 -2.048 7.770 1.00 0.00 C ATOM 1085 CG ASP A 79 -7.010 -2.113 7.858 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.562 -3.230 7.772 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.642 -1.047 8.012 1.00 0.00 O ATOM 0 H ASP A 79 -4.058 -4.363 7.131 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.680 -2.378 5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.064 -2.610 8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.174 -1.013 7.884 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.504 -1.504 4.852 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.284 -0.852 4.394 1.00 0.00 C ATOM 1094 C VAL A 80 -2.202 0.583 4.904 1.00 0.00 C ATOM 1095 O VAL A 80 -3.007 1.433 4.526 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.194 -0.844 2.857 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -0.849 -0.298 2.403 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.425 -2.242 2.303 1.00 0.00 C ATOM 0 H VAL A 80 -4.228 -1.593 4.139 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.449 -1.426 4.796 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.974 -0.190 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.804 -0.300 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.728 0.722 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.050 -0.923 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.358 -2.218 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.668 -2.920 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.415 -2.591 2.598 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.224 0.844 5.765 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.038 2.177 6.328 1.00 0.00 C ATOM 1110 C ASN A 81 -0.026 2.975 5.512 1.00 0.00 C ATOM 1111 O ASN A 81 1.132 2.577 5.379 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.573 2.079 7.782 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.680 1.624 8.714 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.117 2.373 9.588 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -2.139 0.392 8.530 1.00 0.00 N ATOM 0 H ASN A 81 -0.549 0.151 6.088 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.996 2.696 6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.262 1.382 7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.203 3.051 8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.884 0.031 9.126 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.747 -0.194 7.793 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.470 4.103 4.967 1.00 0.00 N ATOM 1123 CA ILE A 82 0.397 4.957 4.166 1.00 0.00 C ATOM 1124 C ILE A 82 0.398 6.388 4.693 1.00 0.00 C ATOM 1125 O ILE A 82 -0.632 7.064 4.692 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.034 4.967 2.687 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.084 3.540 2.138 1.00 0.00 C ATOM 1128 CG2 ILE A 82 0.917 5.824 1.864 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.802 3.428 0.811 1.00 0.00 C ATOM 0 H ILE A 82 -1.425 4.446 5.066 1.00 0.00 H new ATOM 0 HA ILE A 82 1.403 4.544 4.240 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.033 5.398 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.934 3.167 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.579 2.897 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.599 5.821 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.907 6.846 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.927 5.420 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.799 2.389 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.831 3.770 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.294 4.045 0.069 1.00 0.00 H new ATOM 1141 N THR A 83 1.562 6.846 5.143 1.00 0.00 N ATOM 1142 CA THR A 83 1.699 8.197 5.673 1.00 0.00 C ATOM 1143 C THR A 83 2.831 8.947 4.980 1.00 0.00 C ATOM 1144 O THR A 83 3.874 8.370 4.672 1.00 0.00 O ATOM 1145 CB THR A 83 1.962 8.181 7.190 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.055 7.306 7.489 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.723 7.731 7.949 1.00 0.00 C ATOM 0 H THR A 83 2.424 6.301 5.151 1.00 0.00 H new ATOM 0 HA THR A 83 0.756 8.709 5.481 1.00 0.00 H new ATOM 0 HB THR A 83 2.213 9.194 7.504 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.217 7.303 8.456 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.933 7.728 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.099 8.416 7.743 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.446 6.726 7.630 1.00 0.00 H new ATOM 1155 N TYR A 84 2.619 10.236 4.738 1.00 0.00 N ATOM 1156 CA TYR A 84 3.621 11.065 4.080 1.00 0.00 C ATOM 1157 C TYR A 84 4.217 12.077 5.055 1.00 0.00 C ATOM 1158 O TYR A 84 3.602 13.097 5.362 1.00 0.00 O ATOM 1159 CB TYR A 84 3.005 11.794 2.884 1.00 0.00 C ATOM 1160 CG TYR A 84 4.002 12.122 1.796 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.811 11.134 1.247 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.137 13.420 1.318 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.724 11.429 0.253 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.046 13.723 0.323 1.00 0.00 C ATOM 1165 CZ TYR A 84 5.837 12.725 -0.206 1.00 0.00 C ATOM 1166 OH TYR A 84 6.745 13.024 -1.196 1.00 0.00 O ATOM 0 H TYR A 84 1.762 10.729 4.988 1.00 0.00 H new ATOM 0 HA TYR A 84 4.420 10.413 3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.211 11.178 2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.542 12.718 3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.724 10.118 1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.521 14.205 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.346 10.650 -0.162 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.137 14.737 -0.039 1.00 0.00 H new ATOM 0 HH TYR A 84 6.698 13.980 -1.405 1.00 0.00 H new ATOM 1176 N GLY A 85 5.421 11.785 5.538 1.00 0.00 N ATOM 1177 CA GLY A 85 6.082 12.677 6.472 1.00 0.00 C ATOM 1178 C GLY A 85 5.581 12.504 7.892 1.00 0.00 C ATOM 1179 O GLY A 85 6.315 12.040 8.764 1.00 0.00 O ATOM 0 H GLY A 85 5.950 10.946 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.156 12.496 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.925 13.709 6.158 1.00 0.00 H new ATOM 1183 N GLY A 86 4.327 12.879 8.127 1.00 0.00 N ATOM 1184 CA GLY A 86 3.751 12.756 9.453 1.00 0.00 C ATOM 1185 C GLY A 86 2.238 12.837 9.438 1.00 0.00 C ATOM 1186 O GLY A 86 1.616 13.156 10.451 1.00 0.00 O ATOM 0 H GLY A 86 3.700 13.266 7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.056 11.806 9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.148 13.545 10.093 1.00 0.00 H new ATOM 1190 N ALA A 87 1.643 12.549 8.285 1.00 0.00 N ATOM 1191 CA ALA A 87 0.193 12.590 8.142 1.00 0.00 C ATOM 1192 C ALA A 87 -0.318 11.378 7.371 1.00 0.00 C ATOM 1193 O ALA A 87 0.443 10.709 6.670 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.233 13.876 7.450 1.00 0.00 C ATOM 0 H ALA A 87 2.143 12.285 7.436 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.246 12.564 9.139 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.318 13.893 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.090 14.732 8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.223 13.926 6.461 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.610 11.098 7.504 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.222 9.965 6.819 1.00 0.00 C ATOM 1202 C HIS A 88 -2.929 10.418 5.545 1.00 0.00 C ATOM 1203 O HIS A 88 -3.712 11.368 5.562 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.215 9.259 7.743 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.577 8.255 8.653 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.575 6.900 8.395 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.916 8.415 9.824 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.941 6.270 9.368 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.532 7.167 10.248 1.00 0.00 N ATOM 0 H HIS A 88 -2.254 11.640 8.080 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.431 9.267 6.546 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.732 10.006 8.345 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.971 8.759 7.137 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.726 9.350 10.330 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.784 5.203 9.433 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.015 6.965 11.104 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.646 9.732 4.442 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.254 10.064 3.160 1.00 0.00 C ATOM 1220 C ILE A 89 -4.736 9.703 3.145 1.00 0.00 C ATOM 1221 O ILE A 89 -5.183 8.781 3.827 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.549 9.341 1.998 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.772 7.830 2.099 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -1.062 9.663 1.998 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.765 7.128 0.759 1.00 0.00 C ATOM 0 H ILE A 89 -2.000 8.943 4.411 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.143 11.140 3.027 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.977 9.691 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.996 7.398 2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.726 7.644 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.577 9.144 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.923 10.738 1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.619 9.338 2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.929 6.061 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.559 7.533 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.802 7.284 0.272 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.517 10.445 2.346 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.961 10.221 2.220 1.00 0.00 C ATOM 1239 C PRO A 90 -7.283 8.920 1.492 1.00 0.00 C ATOM 1240 O PRO A 90 -7.375 8.891 0.266 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.437 11.424 1.403 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.239 11.854 0.628 1.00 0.00 C ATOM 1243 CD PRO A 90 -5.052 11.560 1.504 1.00 0.00 C ATOM 0 HA PRO A 90 -7.446 10.131 3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.260 11.153 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.798 12.224 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.171 11.314 -0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.292 12.915 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.178 11.282 0.916 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.771 12.426 2.103 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.455 7.846 2.257 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.766 6.557 1.666 1.00 0.00 C ATOM 1253 C GLY A 91 -7.226 5.400 2.482 1.00 0.00 C ATOM 1254 O GLY A 91 -7.622 4.252 2.282 1.00 0.00 O ATOM 0 H GLY A 91 -7.385 7.845 3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.847 6.456 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.351 6.513 0.659 1.00 0.00 H new ATOM 1258 N SER A 92 -6.316 5.701 3.403 1.00 0.00 N ATOM 1259 CA SER A 92 -5.715 4.676 4.248 1.00 0.00 C ATOM 1260 C SER A 92 -6.300 4.722 5.657 1.00 0.00 C ATOM 1261 O SER A 92 -6.755 5.762 6.134 1.00 0.00 O ATOM 1262 CB SER A 92 -4.198 4.858 4.307 1.00 0.00 C ATOM 1263 OG SER A 92 -3.680 4.426 5.554 1.00 0.00 O ATOM 0 H SER A 92 -5.979 6.647 3.583 1.00 0.00 H new ATOM 0 HA SER A 92 -5.940 3.703 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.729 4.294 3.500 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.948 5.907 4.150 1.00 0.00 H new ATOM 0 HG SER A 92 -3.100 5.123 5.926 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.287 3.568 6.340 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.747 2.324 5.783 1.00 0.00 C ATOM 1271 C PRO A 93 -6.618 1.765 4.663 1.00 0.00 C ATOM 1272 O PRO A 93 -7.837 1.937 4.667 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.740 1.372 6.982 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.801 1.896 7.887 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.798 3.389 7.710 1.00 0.00 C ATOM 0 HA PRO A 93 -4.765 2.471 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.951 0.348 6.675 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.768 1.363 7.475 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.774 1.475 7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.598 1.626 8.923 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.797 3.809 7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.159 3.880 8.445 1.00 0.00 H new ATOM 1283 N PHE A 94 -5.985 1.095 3.706 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.703 0.510 2.580 1.00 0.00 C ATOM 1285 C PHE A 94 -6.998 -0.966 2.829 1.00 0.00 C ATOM 1286 O PHE A 94 -6.095 -1.803 2.807 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.891 0.669 1.292 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.719 2.099 0.865 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.668 2.859 1.352 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.608 2.682 -0.024 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.508 4.175 0.960 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.453 3.997 -0.419 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.400 4.744 0.073 1.00 0.00 C ATOM 0 H PHE A 94 -4.976 0.944 3.688 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.650 1.038 2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.908 0.220 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.382 0.116 0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.966 2.419 2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.432 2.102 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.685 4.758 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.154 4.440 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.275 5.771 -0.236 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.268 -1.278 3.067 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.682 -2.652 3.323 1.00 0.00 C ATOM 1305 C ARG A 95 -8.538 -3.506 2.067 1.00 0.00 C ATOM 1306 O ARG A 95 -9.040 -3.151 1.001 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.131 -2.687 3.813 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.438 -3.865 4.724 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.556 -5.161 3.937 1.00 0.00 C ATOM 1310 NE ARG A 95 -11.695 -5.145 3.023 1.00 0.00 N ATOM 1311 CZ ARG A 95 -12.272 -6.243 2.549 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -11.819 -7.439 2.900 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -13.305 -6.147 1.721 1.00 0.00 N ATOM 0 H ARG A 95 -9.028 -0.598 3.088 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.033 -3.063 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.348 -1.761 4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.797 -2.723 2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.651 -3.963 5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.368 -3.678 5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.639 -5.326 3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.658 -5.997 4.629 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.068 -4.241 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.025 -7.517 3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.264 -8.281 2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.656 -5.229 1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.747 -6.991 1.358 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.847 -4.634 2.201 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.636 -5.539 1.078 1.00 0.00 C ATOM 1329 C VAL A 96 -7.903 -6.985 1.480 1.00 0.00 C ATOM 1330 O VAL A 96 -7.289 -7.523 2.402 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.202 -5.427 0.528 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -6.085 -6.143 -0.809 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.794 -3.968 0.398 1.00 0.00 C ATOM 0 H VAL A 96 -7.424 -4.942 3.076 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.340 -5.246 0.299 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.523 -5.909 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.065 -6.053 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.333 -7.197 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.774 -5.693 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.778 -3.908 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.475 -3.459 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.836 -3.490 1.377 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.842 -7.633 0.773 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.211 -9.026 1.038 1.00 0.00 C ATOM 1345 C PRO A 97 -8.106 -10.003 0.650 1.00 0.00 C ATOM 1346 O PRO A 97 -7.726 -10.093 -0.517 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.446 -9.239 0.158 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.302 -8.246 -0.943 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.614 -7.054 -0.339 1.00 0.00 C ATOM 0 HA PRO A 97 -9.389 -9.206 2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.485 -10.257 -0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.366 -9.076 0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.718 -8.658 -1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.275 -7.970 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.967 -6.555 -1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.331 -6.312 0.013 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.595 -10.733 1.636 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.534 -11.704 1.397 1.00 0.00 C ATOM 1359 C VAL A 98 -7.086 -13.125 1.371 1.00 0.00 C ATOM 1360 O VAL A 98 -7.448 -13.682 2.407 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.435 -11.611 2.473 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.425 -12.736 2.303 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.749 -10.255 2.417 1.00 0.00 C ATOM 0 H VAL A 98 -7.899 -10.670 2.608 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.101 -11.468 0.425 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.900 -11.717 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.656 -12.654 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.931 -13.697 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.963 -12.664 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.976 -10.207 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.296 -10.117 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.483 -9.468 2.592 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.146 -13.708 0.178 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.652 -15.066 0.015 1.00 0.00 C ATOM 1375 C LYS A 99 -6.505 -16.065 -0.091 1.00 0.00 C ATOM 1376 O LYS A 99 -5.351 -15.681 -0.283 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.538 -15.156 -1.229 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.626 -14.097 -1.279 1.00 0.00 C ATOM 1379 CD LYS A 99 -10.157 -13.909 -2.691 1.00 0.00 C ATOM 1380 CE LYS A 99 -11.366 -12.986 -2.713 1.00 0.00 C ATOM 1381 NZ LYS A 99 -10.973 -11.561 -2.891 1.00 0.00 N ATOM 0 H LYS A 99 -6.850 -13.261 -0.690 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.246 -15.314 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.913 -15.065 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.001 -16.142 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.443 -14.382 -0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.231 -13.151 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.372 -13.497 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.429 -14.877 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.034 -13.282 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.923 -13.095 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.807 -10.953 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.251 -11.309 -2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.586 -11.424 -3.846 1.00 0.00 H new