USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 663 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 43 HIS : no HD1:sc= -0.141 X(o=-2.1,f=-2.1) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= -1.98 USER MOD Set 2.1: A 20 THR OG1 : rot 25:sc= 1.15 USER MOD Set 2.2: A 23 THR OG1 : rot 16:sc= 0.412 USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= -0.0271 (180deg=-0.235) USER MOD Single : A 27 THR OG1 : rot 34:sc= -0.572 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -80:sc= -0.765 USER MOD Single : A 41 SER OG : rot 23:sc= 0.106 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.383 K(o=0.38,f=-7.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -2.82 X(o=-2.8,f=-2.6) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.134 F(o=-1.8,f=-0.13) USER MOD Single : A 69 SER OG : rot -55:sc= 0.586 USER MOD Single : A 70 THR OG1 : rot -143:sc= -1.04 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -57:sc= 0.51 USER MOD Single : A 73 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.674 X(o=-0.67,f=-1.1) USER MOD Single : A 79 MET CE :methyl -171:sc= 0 (180deg=-0.0235) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 16:sc= 0.899 USER MOD Single : A 89 SER OG : rot 19:sc= 0.276 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 41:sc= 0.0482 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 154:sc= 1.7 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 15.934 -4.905 -3.319 1.00 0.00 N ATOM 86 CA GLU A 9 14.851 -5.673 -2.716 1.00 0.00 C ATOM 87 C GLU A 9 13.581 -4.833 -2.612 1.00 0.00 C ATOM 88 O GLU A 9 13.632 -3.651 -2.275 1.00 0.00 O ATOM 89 CB GLU A 9 15.260 -6.173 -1.329 1.00 0.00 C ATOM 90 CG GLU A 9 15.950 -7.526 -1.349 1.00 0.00 C ATOM 91 CD GLU A 9 16.640 -7.848 -0.038 1.00 0.00 C ATOM 92 OE1 GLU A 9 15.933 -8.155 0.945 1.00 0.00 O ATOM 93 OE2 GLU A 9 17.887 -7.793 0.006 1.00 0.00 O ATOM 0 HA GLU A 9 14.648 -6.531 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.926 -5.442 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.373 -6.236 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.216 -8.301 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.683 -7.544 -2.155 1.00 0.00 H new ATOM 100 N ALA A 10 12.442 -5.453 -2.906 1.00 0.00 N ATOM 101 CA ALA A 10 11.159 -4.764 -2.844 1.00 0.00 C ATOM 102 C ALA A 10 10.506 -4.942 -1.478 1.00 0.00 C ATOM 103 O ALA A 10 10.872 -5.821 -0.697 1.00 0.00 O ATOM 104 CB ALA A 10 10.236 -5.268 -3.943 1.00 0.00 C ATOM 0 H ALA A 10 12.382 -6.431 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 10 11.338 -3.700 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.281 -4.745 -3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.693 -5.083 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.071 -6.338 -3.818 1.00 0.00 H new ATOM 110 N PRO A 11 9.514 -4.090 -1.180 1.00 0.00 N ATOM 111 CA PRO A 11 8.788 -4.133 0.093 1.00 0.00 C ATOM 112 C PRO A 11 7.897 -5.365 0.210 1.00 0.00 C ATOM 113 O PRO A 11 7.255 -5.772 -0.758 1.00 0.00 O ATOM 114 CB PRO A 11 7.940 -2.860 0.062 1.00 0.00 C ATOM 115 CG PRO A 11 7.762 -2.559 -1.387 1.00 0.00 C ATOM 116 CD PRO A 11 9.025 -3.018 -2.063 1.00 0.00 C ATOM 0 HA PRO A 11 9.464 -4.189 0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.980 -3.012 0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.438 -2.040 0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.893 -3.079 -1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.599 -1.493 -1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.831 -3.385 -3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.750 -2.209 -2.152 1.00 0.00 H new ATOM 124 N ARG A 12 7.861 -5.953 1.401 1.00 0.00 N ATOM 125 CA ARG A 12 7.049 -7.138 1.644 1.00 0.00 C ATOM 126 C ARG A 12 6.241 -6.990 2.930 1.00 0.00 C ATOM 127 O ARG A 12 6.442 -6.047 3.696 1.00 0.00 O ATOM 128 CB ARG A 12 7.935 -8.382 1.727 1.00 0.00 C ATOM 129 CG ARG A 12 8.832 -8.411 2.954 1.00 0.00 C ATOM 130 CD ARG A 12 9.865 -9.523 2.863 1.00 0.00 C ATOM 131 NE ARG A 12 10.247 -10.024 4.181 1.00 0.00 N ATOM 132 CZ ARG A 12 11.155 -9.438 4.955 1.00 0.00 C ATOM 133 NH1 ARG A 12 11.769 -8.337 4.545 1.00 0.00 N ATOM 134 NH2 ARG A 12 11.449 -9.954 6.141 1.00 0.00 N ATOM 0 H ARG A 12 8.385 -5.627 2.213 1.00 0.00 H new ATOM 0 HA ARG A 12 6.356 -7.249 0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.302 -9.269 1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.556 -8.436 0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.338 -7.451 3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.224 -8.550 3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.464 -10.342 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.750 -9.154 2.345 1.00 0.00 H new ATOM 0 HE ARG A 12 9.792 -10.869 4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.545 -7.937 3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.465 -7.889 5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.978 -10.801 6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.146 -9.504 6.734 1.00 0.00 H new ATOM 148 N ASP A 13 5.328 -7.927 3.161 1.00 0.00 N ATOM 149 CA ASP A 13 4.490 -7.901 4.354 1.00 0.00 C ATOM 150 C ASP A 13 3.567 -6.686 4.344 1.00 0.00 C ATOM 151 O ASP A 13 3.376 -6.029 5.368 1.00 0.00 O ATOM 152 CB ASP A 13 5.358 -7.886 5.613 1.00 0.00 C ATOM 153 CG ASP A 13 4.536 -7.953 6.884 1.00 0.00 C ATOM 154 OD1 ASP A 13 3.420 -8.511 6.840 1.00 0.00 O ATOM 155 OD2 ASP A 13 5.008 -7.447 7.924 1.00 0.00 O ATOM 0 H ASP A 13 5.149 -8.714 2.538 1.00 0.00 H new ATOM 0 HA ASP A 13 3.876 -8.802 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.048 -8.730 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.963 -6.979 5.623 1.00 0.00 H new ATOM 160 N LEU A 14 2.998 -6.392 3.180 1.00 0.00 N ATOM 161 CA LEU A 14 2.095 -5.254 3.036 1.00 0.00 C ATOM 162 C LEU A 14 0.653 -5.666 3.312 1.00 0.00 C ATOM 163 O LEU A 14 -0.003 -6.272 2.466 1.00 0.00 O ATOM 164 CB LEU A 14 2.209 -4.664 1.629 1.00 0.00 C ATOM 165 CG LEU A 14 1.120 -3.667 1.231 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.488 -2.264 1.688 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.894 -3.697 -0.274 1.00 0.00 C ATOM 0 H LEU A 14 3.145 -6.925 2.323 1.00 0.00 H new ATOM 0 HA LEU A 14 2.383 -4.497 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.176 -4.170 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.203 -5.484 0.911 1.00 0.00 H new ATOM 0 HG LEU A 14 0.192 -3.956 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.701 -1.568 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.599 -2.252 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.428 -1.965 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.116 -2.981 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.819 -3.433 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.585 -4.698 -0.576 1.00 0.00 H new ATOM 179 N GLU A 15 0.165 -5.330 4.503 1.00 0.00 N ATOM 180 CA GLU A 15 -1.201 -5.664 4.889 1.00 0.00 C ATOM 181 C GLU A 15 -1.929 -4.435 5.427 1.00 0.00 C ATOM 182 O GLU A 15 -1.375 -3.665 6.211 1.00 0.00 O ATOM 183 CB GLU A 15 -1.200 -6.772 5.944 1.00 0.00 C ATOM 184 CG GLU A 15 -2.479 -7.592 5.966 1.00 0.00 C ATOM 185 CD GLU A 15 -2.489 -8.687 4.917 1.00 0.00 C ATOM 186 OE1 GLU A 15 -2.579 -8.356 3.716 1.00 0.00 O ATOM 187 OE2 GLU A 15 -2.407 -9.874 5.296 1.00 0.00 O ATOM 0 H GLU A 15 0.695 -4.828 5.216 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.726 -6.018 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.356 -7.436 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.047 -6.326 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.603 -8.038 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.332 -6.932 5.805 1.00 0.00 H new ATOM 194 N ALA A 16 -3.176 -4.259 5.000 1.00 0.00 N ATOM 195 CA ALA A 16 -3.981 -3.127 5.440 1.00 0.00 C ATOM 196 C ALA A 16 -4.441 -3.307 6.883 1.00 0.00 C ATOM 197 O ALA A 16 -5.395 -4.035 7.155 1.00 0.00 O ATOM 198 CB ALA A 16 -5.180 -2.943 4.521 1.00 0.00 C ATOM 0 H ALA A 16 -3.650 -4.886 4.350 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.360 -2.232 5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.773 -2.094 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.834 -2.759 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.793 -3.844 4.538 1.00 0.00 H new ATOM 204 N LYS A 17 -3.755 -2.639 7.805 1.00 0.00 N ATOM 205 CA LYS A 17 -4.093 -2.725 9.221 1.00 0.00 C ATOM 206 C LYS A 17 -4.845 -1.479 9.677 1.00 0.00 C ATOM 207 O LYS A 17 -5.016 -0.531 8.910 1.00 0.00 O ATOM 208 CB LYS A 17 -2.825 -2.903 10.059 1.00 0.00 C ATOM 209 CG LYS A 17 -1.956 -4.065 9.608 1.00 0.00 C ATOM 210 CD LYS A 17 -1.284 -4.749 10.787 1.00 0.00 C ATOM 211 CE LYS A 17 -1.112 -6.240 10.541 1.00 0.00 C ATOM 212 NZ LYS A 17 -2.416 -6.960 10.568 1.00 0.00 N ATOM 0 H LYS A 17 -2.962 -2.032 7.597 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.740 -3.591 9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.240 -1.985 10.017 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.106 -3.054 11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.566 -4.788 9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.197 -3.705 8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.310 -4.294 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.879 -4.594 11.687 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.631 -6.396 9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.450 -6.659 11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.251 -7.970 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.016 -6.563 11.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.892 -6.850 9.650 1.00 0.00 H new ATOM 226 N GLU A 18 -5.292 -1.487 10.929 1.00 0.00 N ATOM 227 CA GLU A 18 -6.025 -0.357 11.486 1.00 0.00 C ATOM 228 C GLU A 18 -7.060 0.162 10.492 1.00 0.00 C ATOM 229 O GLU A 18 -7.318 1.364 10.418 1.00 0.00 O ATOM 230 CB GLU A 18 -5.060 0.768 11.867 1.00 0.00 C ATOM 231 CG GLU A 18 -3.850 0.290 12.654 1.00 0.00 C ATOM 232 CD GLU A 18 -3.210 1.398 13.468 1.00 0.00 C ATOM 233 OE1 GLU A 18 -2.822 2.424 12.871 1.00 0.00 O ATOM 234 OE2 GLU A 18 -3.097 1.239 14.702 1.00 0.00 O ATOM 0 H GLU A 18 -5.159 -2.264 11.576 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.544 -0.699 12.381 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.719 1.266 10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.596 1.512 12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.151 -0.518 13.320 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.113 -0.122 11.965 1.00 0.00 H new ATOM 241 N VAL A 19 -7.651 -0.752 9.729 1.00 0.00 N ATOM 242 CA VAL A 19 -8.658 -0.388 8.740 1.00 0.00 C ATOM 243 C VAL A 19 -9.914 0.158 9.411 1.00 0.00 C ATOM 244 O VAL A 19 -10.490 -0.482 10.291 1.00 0.00 O ATOM 245 CB VAL A 19 -9.042 -1.593 7.860 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.136 -1.208 6.876 1.00 0.00 C ATOM 247 CG2 VAL A 19 -7.820 -2.128 7.129 1.00 0.00 C ATOM 0 H VAL A 19 -7.449 -1.751 9.777 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.219 0.386 8.111 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.428 -2.384 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.394 -2.071 6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.018 -0.875 7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.781 -0.401 6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.109 -2.979 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.403 -1.345 6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.071 -2.444 7.855 1.00 0.00 H new ATOM 257 N THR A 20 -10.335 1.346 8.988 1.00 0.00 N ATOM 258 CA THR A 20 -11.523 1.979 9.547 1.00 0.00 C ATOM 259 C THR A 20 -12.258 2.797 8.491 1.00 0.00 C ATOM 260 O THR A 20 -11.693 3.189 7.470 1.00 0.00 O ATOM 261 CB THR A 20 -11.166 2.895 10.733 1.00 0.00 C ATOM 262 OG1 THR A 20 -9.867 3.465 10.537 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.194 2.120 12.042 1.00 0.00 C ATOM 0 H THR A 20 -9.871 1.889 8.260 1.00 0.00 H new ATOM 0 HA THR A 20 -12.172 1.178 9.899 1.00 0.00 H new ATOM 0 HB THR A 20 -11.908 3.692 10.785 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.663 3.493 9.579 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.939 2.787 12.865 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.192 1.712 12.202 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.471 1.305 11.998 1.00 0.00 H new ATOM 271 N PRO A 21 -13.549 3.062 8.741 1.00 0.00 N ATOM 272 CA PRO A 21 -14.390 3.838 7.823 1.00 0.00 C ATOM 273 C PRO A 21 -13.994 5.310 7.779 1.00 0.00 C ATOM 274 O PRO A 21 -14.524 6.081 6.979 1.00 0.00 O ATOM 275 CB PRO A 21 -15.795 3.679 8.409 1.00 0.00 C ATOM 276 CG PRO A 21 -15.573 3.403 9.856 1.00 0.00 C ATOM 277 CD PRO A 21 -14.288 2.626 9.938 1.00 0.00 C ATOM 0 HA PRO A 21 -14.301 3.489 6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.389 4.582 8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.334 2.863 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.505 4.331 10.424 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.401 2.832 10.276 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.740 2.851 10.853 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.467 1.551 9.930 1.00 0.00 H new ATOM 285 N ARG A 22 -13.060 5.693 8.643 1.00 0.00 N ATOM 286 CA ARG A 22 -12.594 7.073 8.703 1.00 0.00 C ATOM 287 C ARG A 22 -11.130 7.172 8.284 1.00 0.00 C ATOM 288 O ARG A 22 -10.658 8.235 7.881 1.00 0.00 O ATOM 289 CB ARG A 22 -12.770 7.633 10.116 1.00 0.00 C ATOM 290 CG ARG A 22 -14.221 7.867 10.501 1.00 0.00 C ATOM 291 CD ARG A 22 -14.335 8.755 11.731 1.00 0.00 C ATOM 292 NE ARG A 22 -15.688 8.757 12.281 1.00 0.00 N ATOM 293 CZ ARG A 22 -15.983 9.185 13.504 1.00 0.00 C ATOM 294 NH1 ARG A 22 -15.025 9.641 14.299 1.00 0.00 N ATOM 295 NH2 ARG A 22 -17.238 9.156 13.933 1.00 0.00 N ATOM 0 H ARG A 22 -12.611 5.067 9.311 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.193 7.662 8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.320 6.943 10.830 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.225 8.574 10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.750 8.329 9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.706 6.910 10.695 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.635 8.411 12.492 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.048 9.774 11.470 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.448 8.411 11.695 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.059 9.664 13.972 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.254 9.969 15.237 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.977 8.805 13.324 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.464 9.485 14.872 1.00 0.00 H new ATOM 309 N THR A 23 -10.415 6.055 8.383 1.00 0.00 N ATOM 310 CA THR A 23 -9.005 6.015 8.016 1.00 0.00 C ATOM 311 C THR A 23 -8.540 4.584 7.775 1.00 0.00 C ATOM 312 O THR A 23 -9.317 3.639 7.904 1.00 0.00 O ATOM 313 CB THR A 23 -8.123 6.653 9.106 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.425 6.076 10.381 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.336 8.158 9.163 1.00 0.00 C ATOM 0 H THR A 23 -10.790 5.166 8.714 1.00 0.00 H new ATOM 0 HA THR A 23 -8.902 6.587 7.094 1.00 0.00 H new ATOM 0 HB THR A 23 -7.080 6.458 8.857 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.926 5.244 10.253 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.703 8.586 9.940 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.077 8.599 8.200 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.381 8.369 9.390 1.00 0.00 H new ATOM 323 N ALA A 24 -7.266 4.431 7.426 1.00 0.00 N ATOM 324 CA ALA A 24 -6.697 3.114 7.170 1.00 0.00 C ATOM 325 C ALA A 24 -5.177 3.141 7.287 1.00 0.00 C ATOM 326 O ALA A 24 -4.525 4.081 6.830 1.00 0.00 O ATOM 327 CB ALA A 24 -7.114 2.618 5.794 1.00 0.00 C ATOM 0 H ALA A 24 -6.609 5.203 7.314 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.081 2.426 7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.682 1.633 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.201 2.552 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.758 3.313 5.033 1.00 0.00 H new ATOM 333 N LEU A 25 -4.617 2.105 7.903 1.00 0.00 N ATOM 334 CA LEU A 25 -3.172 2.010 8.080 1.00 0.00 C ATOM 335 C LEU A 25 -2.596 0.867 7.252 1.00 0.00 C ATOM 336 O LEU A 25 -3.179 -0.215 7.177 1.00 0.00 O ATOM 337 CB LEU A 25 -2.833 1.807 9.558 1.00 0.00 C ATOM 338 CG LEU A 25 -1.364 1.989 9.940 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.493 0.974 9.215 1.00 0.00 C ATOM 340 CD2 LEU A 25 -0.904 3.406 9.632 1.00 0.00 C ATOM 0 H LEU A 25 -5.142 1.319 8.288 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.726 2.943 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.430 2.504 10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.141 0.802 9.846 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.265 1.821 11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.549 1.119 9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.806 -0.034 9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.597 1.108 8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.144 3.517 9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.019 3.602 8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.507 4.116 10.199 1.00 0.00 H new ATOM 352 N LEU A 26 -1.446 1.113 6.633 1.00 0.00 N ATOM 353 CA LEU A 26 -0.789 0.103 5.811 1.00 0.00 C ATOM 354 C LEU A 26 0.636 -0.149 6.295 1.00 0.00 C ATOM 355 O LEU A 26 1.538 0.654 6.052 1.00 0.00 O ATOM 356 CB LEU A 26 -0.772 0.541 4.346 1.00 0.00 C ATOM 357 CG LEU A 26 -1.972 0.108 3.502 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.224 1.106 2.382 1.00 0.00 C ATOM 359 CD2 LEU A 26 -1.750 -1.287 2.936 1.00 0.00 C ATOM 0 H LEU A 26 -0.950 2.003 6.685 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.353 -0.825 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.704 1.628 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.133 0.151 3.881 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.853 0.082 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.081 0.782 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.428 2.088 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.344 1.164 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.614 -1.579 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.858 -1.288 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.619 -1.995 3.754 1.00 0.00 H new ATOM 371 N THR A 27 0.834 -1.272 6.979 1.00 0.00 N ATOM 372 CA THR A 27 2.148 -1.631 7.496 1.00 0.00 C ATOM 373 C THR A 27 2.898 -2.527 6.517 1.00 0.00 C ATOM 374 O THR A 27 2.363 -3.531 6.047 1.00 0.00 O ATOM 375 CB THR A 27 2.041 -2.350 8.854 1.00 0.00 C ATOM 376 OG1 THR A 27 1.086 -3.414 8.771 1.00 0.00 O ATOM 377 CG2 THR A 27 1.630 -1.378 9.950 1.00 0.00 C ATOM 0 H THR A 27 0.100 -1.949 7.188 1.00 0.00 H new ATOM 0 HA THR A 27 2.700 -0.700 7.629 1.00 0.00 H new ATOM 0 HB THR A 27 3.020 -2.759 9.102 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.118 -3.813 7.876 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.561 -1.909 10.900 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.373 -0.585 10.031 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.661 -0.943 9.706 1.00 0.00 H new ATOM 385 N TRP A 28 4.137 -2.158 6.215 1.00 0.00 N ATOM 386 CA TRP A 28 4.961 -2.930 5.291 1.00 0.00 C ATOM 387 C TRP A 28 6.419 -2.936 5.737 1.00 0.00 C ATOM 388 O TRP A 28 6.861 -2.045 6.463 1.00 0.00 O ATOM 389 CB TRP A 28 4.849 -2.360 3.877 1.00 0.00 C ATOM 390 CG TRP A 28 5.624 -1.091 3.685 1.00 0.00 C ATOM 391 CD1 TRP A 28 6.968 -0.976 3.475 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.100 0.242 3.688 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.312 0.348 3.347 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.184 1.115 3.473 1.00 0.00 C ATOM 395 CE3 TRP A 28 3.822 0.782 3.849 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.026 2.498 3.417 1.00 0.00 C ATOM 397 CZ3 TRP A 28 3.666 2.154 3.794 1.00 0.00 C ATOM 398 CH2 TRP A 28 4.763 2.999 3.578 1.00 0.00 C ATOM 0 H TRP A 28 4.594 -1.329 6.596 1.00 0.00 H new ATOM 0 HA TRP A 28 4.597 -3.957 5.290 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.202 -3.105 3.164 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.799 -2.174 3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.659 -1.804 3.418 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.255 0.702 3.184 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.970 0.138 4.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.870 3.151 3.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.682 2.582 3.920 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.608 4.067 3.538 1.00 0.00 H new ATOM 409 N THR A 29 7.163 -3.946 5.298 1.00 0.00 N ATOM 410 CA THR A 29 8.572 -4.068 5.652 1.00 0.00 C ATOM 411 C THR A 29 9.459 -3.365 4.631 1.00 0.00 C ATOM 412 O THR A 29 9.339 -3.596 3.428 1.00 0.00 O ATOM 413 CB THR A 29 8.999 -5.544 5.756 1.00 0.00 C ATOM 414 OG1 THR A 29 8.322 -6.175 6.848 1.00 0.00 O ATOM 415 CG2 THR A 29 10.504 -5.660 5.951 1.00 0.00 C ATOM 0 H THR A 29 6.813 -4.692 4.696 1.00 0.00 H new ATOM 0 HA THR A 29 8.695 -3.592 6.625 1.00 0.00 H new ATOM 0 HB THR A 29 8.729 -6.043 4.825 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.598 -7.114 6.906 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.782 -6.712 6.022 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.017 -5.205 5.103 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.793 -5.146 6.868 1.00 0.00 H new ATOM 423 N GLU A 30 10.349 -2.506 5.119 1.00 0.00 N ATOM 424 CA GLU A 30 11.256 -1.769 4.247 1.00 0.00 C ATOM 425 C GLU A 30 12.466 -2.621 3.876 1.00 0.00 C ATOM 426 O GLU A 30 13.024 -3.345 4.701 1.00 0.00 O ATOM 427 CB GLU A 30 11.716 -0.478 4.927 1.00 0.00 C ATOM 428 CG GLU A 30 10.803 0.708 4.663 1.00 0.00 C ATOM 429 CD GLU A 30 11.157 1.916 5.509 1.00 0.00 C ATOM 430 OE1 GLU A 30 11.400 1.742 6.721 1.00 0.00 O ATOM 431 OE2 GLU A 30 11.190 3.036 4.957 1.00 0.00 O ATOM 0 H GLU A 30 10.461 -2.304 6.112 1.00 0.00 H new ATOM 0 HA GLU A 30 10.717 -1.518 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.778 -0.646 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.722 -0.235 4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.860 0.978 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.771 0.419 4.863 1.00 0.00 H new ATOM 438 N PRO A 31 12.883 -2.534 2.604 1.00 0.00 N ATOM 439 CA PRO A 31 14.031 -3.290 2.094 1.00 0.00 C ATOM 440 C PRO A 31 15.354 -2.789 2.664 1.00 0.00 C ATOM 441 O PRO A 31 15.463 -1.662 3.145 1.00 0.00 O ATOM 442 CB PRO A 31 13.973 -3.046 0.584 1.00 0.00 C ATOM 443 CG PRO A 31 13.257 -1.748 0.437 1.00 0.00 C ATOM 444 CD PRO A 31 12.266 -1.692 1.566 1.00 0.00 C ATOM 0 HA PRO A 31 13.982 -4.343 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.973 -2.998 0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.444 -3.850 0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.953 -0.911 0.487 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.753 -1.687 -0.528 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.113 -0.671 1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.291 -2.076 1.264 1.00 0.00 H new ATOM 452 N PRO A 32 16.384 -3.646 2.610 1.00 0.00 N ATOM 453 CA PRO A 32 17.719 -3.312 3.116 1.00 0.00 C ATOM 454 C PRO A 32 18.419 -2.264 2.258 1.00 0.00 C ATOM 455 O PRO A 32 19.570 -1.908 2.511 1.00 0.00 O ATOM 456 CB PRO A 32 18.468 -4.645 3.048 1.00 0.00 C ATOM 457 CG PRO A 32 17.771 -5.418 1.981 1.00 0.00 C ATOM 458 CD PRO A 32 16.326 -5.007 2.050 1.00 0.00 C ATOM 0 HA PRO A 32 17.679 -2.880 4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.520 -4.496 2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.432 -5.168 4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 32 18.193 -5.198 1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.880 -6.491 2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.858 -5.017 1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.747 -5.678 2.685 1.00 0.00 H new ATOM 466 N VAL A 33 17.716 -1.772 1.242 1.00 0.00 N ATOM 467 CA VAL A 33 18.269 -0.763 0.348 1.00 0.00 C ATOM 468 C VAL A 33 17.466 0.531 0.415 1.00 0.00 C ATOM 469 O VAL A 33 16.638 0.806 -0.453 1.00 0.00 O ATOM 470 CB VAL A 33 18.299 -1.260 -1.110 1.00 0.00 C ATOM 471 CG1 VAL A 33 18.934 -0.217 -2.017 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.041 -2.585 -1.206 1.00 0.00 C ATOM 0 H VAL A 33 16.762 -2.056 1.018 1.00 0.00 H new ATOM 0 HA VAL A 33 19.289 -0.572 0.680 1.00 0.00 H new ATOM 0 HB VAL A 33 17.273 -1.419 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.946 -0.586 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.356 0.706 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.955 -0.023 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.052 -2.921 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.065 -2.455 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.538 -3.329 -0.589 1.00 0.00 H new ATOM 482 N ARG A 34 17.717 1.324 1.452 1.00 0.00 N ATOM 483 CA ARG A 34 17.017 2.589 1.634 1.00 0.00 C ATOM 484 C ARG A 34 16.808 3.292 0.296 1.00 0.00 C ATOM 485 O ARG A 34 17.710 3.934 -0.243 1.00 0.00 O ATOM 486 CB ARG A 34 17.800 3.498 2.583 1.00 0.00 C ATOM 487 CG ARG A 34 16.921 4.442 3.386 1.00 0.00 C ATOM 488 CD ARG A 34 16.439 3.795 4.675 1.00 0.00 C ATOM 489 NE ARG A 34 15.666 4.721 5.498 1.00 0.00 N ATOM 490 CZ ARG A 34 15.338 4.483 6.763 1.00 0.00 C ATOM 491 NH1 ARG A 34 15.715 3.354 7.347 1.00 0.00 N ATOM 492 NH2 ARG A 34 14.633 5.375 7.446 1.00 0.00 N ATOM 0 H ARG A 34 18.400 1.112 2.179 1.00 0.00 H new ATOM 0 HA ARG A 34 16.041 2.376 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 34 18.378 2.880 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.514 4.084 2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.478 5.349 3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 34 16.062 4.741 2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.827 2.925 4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.297 3.436 5.243 1.00 0.00 H new ATOM 0 HE ARG A 34 15.361 5.599 5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.258 2.666 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.462 3.173 8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.342 6.245 7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.382 5.191 8.417 1.00 0.00 H new ATOM 506 N PRO A 35 15.591 3.169 -0.254 1.00 0.00 N ATOM 507 CA PRO A 35 15.236 3.786 -1.535 1.00 0.00 C ATOM 508 C PRO A 35 15.148 5.305 -1.443 1.00 0.00 C ATOM 509 O PRO A 35 15.066 5.866 -0.351 1.00 0.00 O ATOM 510 CB PRO A 35 13.861 3.188 -1.847 1.00 0.00 C ATOM 511 CG PRO A 35 13.296 2.823 -0.518 1.00 0.00 C ATOM 512 CD PRO A 35 14.468 2.419 0.333 1.00 0.00 C ATOM 0 HA PRO A 35 15.985 3.592 -2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.225 3.907 -2.364 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.947 2.315 -2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.764 3.665 -0.075 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.580 2.006 -0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.314 2.681 1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.640 1.343 0.295 1.00 0.00 H new ATOM 520 N ALA A 36 15.164 5.965 -2.596 1.00 0.00 N ATOM 521 CA ALA A 36 15.084 7.420 -2.645 1.00 0.00 C ATOM 522 C ALA A 36 13.768 7.917 -2.056 1.00 0.00 C ATOM 523 O ALA A 36 13.754 8.799 -1.199 1.00 0.00 O ATOM 524 CB ALA A 36 15.242 7.909 -4.077 1.00 0.00 C ATOM 0 H ALA A 36 15.232 5.515 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 36 15.897 7.825 -2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.180 8.997 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.210 7.593 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.449 7.488 -4.695 1.00 0.00 H new ATOM 530 N GLY A 37 12.662 7.345 -2.524 1.00 0.00 N ATOM 531 CA GLY A 37 11.356 7.744 -2.032 1.00 0.00 C ATOM 532 C GLY A 37 10.305 6.672 -2.244 1.00 0.00 C ATOM 533 O GLY A 37 10.605 5.589 -2.747 1.00 0.00 O ATOM 0 H GLY A 37 12.647 6.613 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.426 7.975 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.045 8.659 -2.537 1.00 0.00 H new ATOM 537 N TYR A 38 9.070 6.973 -1.858 1.00 0.00 N ATOM 538 CA TYR A 38 7.971 6.026 -2.004 1.00 0.00 C ATOM 539 C TYR A 38 6.795 6.664 -2.737 1.00 0.00 C ATOM 540 O TYR A 38 6.570 7.871 -2.640 1.00 0.00 O ATOM 541 CB TYR A 38 7.520 5.521 -0.633 1.00 0.00 C ATOM 542 CG TYR A 38 8.348 4.370 -0.108 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.498 3.203 -0.847 1.00 0.00 C ATOM 544 CD2 TYR A 38 8.981 4.450 1.126 1.00 0.00 C ATOM 545 CE1 TYR A 38 9.253 2.148 -0.371 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.740 3.402 1.609 1.00 0.00 C ATOM 547 CZ TYR A 38 9.872 2.253 0.857 1.00 0.00 C ATOM 548 OH TYR A 38 10.627 1.205 1.334 1.00 0.00 O ATOM 0 H TYR A 38 8.805 7.866 -1.442 1.00 0.00 H new ATOM 0 HA TYR A 38 8.328 5.182 -2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.564 6.344 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.478 5.209 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.016 3.119 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.878 5.347 1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.358 1.247 -0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.227 3.482 2.570 1.00 0.00 H new ATOM 0 HH TYR A 38 10.036 0.524 1.717 1.00 0.00 H new ATOM 558 N LEU A 39 6.048 5.846 -3.468 1.00 0.00 N ATOM 559 CA LEU A 39 4.893 6.328 -4.218 1.00 0.00 C ATOM 560 C LEU A 39 3.666 5.463 -3.945 1.00 0.00 C ATOM 561 O LEU A 39 3.455 4.443 -4.602 1.00 0.00 O ATOM 562 CB LEU A 39 5.200 6.339 -5.716 1.00 0.00 C ATOM 563 CG LEU A 39 4.031 6.686 -6.639 1.00 0.00 C ATOM 564 CD1 LEU A 39 3.935 8.191 -6.836 1.00 0.00 C ATOM 565 CD2 LEU A 39 4.182 5.980 -7.978 1.00 0.00 C ATOM 0 H LEU A 39 6.221 4.845 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 39 4.678 7.345 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.003 7.053 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.578 5.356 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 39 3.109 6.342 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.098 8.419 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.780 8.675 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.859 8.559 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.342 6.238 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.112 6.294 -8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.201 4.902 -7.821 1.00 0.00 H new ATOM 577 N LEU A 40 2.860 5.878 -2.974 1.00 0.00 N ATOM 578 CA LEU A 40 1.653 5.143 -2.616 1.00 0.00 C ATOM 579 C LEU A 40 0.451 5.651 -3.406 1.00 0.00 C ATOM 580 O LEU A 40 -0.088 6.719 -3.117 1.00 0.00 O ATOM 581 CB LEU A 40 1.381 5.269 -1.116 1.00 0.00 C ATOM 582 CG LEU A 40 0.154 4.524 -0.590 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.501 3.076 -0.278 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.405 5.218 0.643 1.00 0.00 C ATOM 0 H LEU A 40 3.021 6.720 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 40 1.810 4.093 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.258 4.910 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.270 6.326 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.612 4.534 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.385 2.562 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.852 2.583 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.285 3.045 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.278 4.673 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.355 5.241 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.694 6.237 0.387 1.00 0.00 H new ATOM 596 N SER A 41 0.035 4.877 -4.404 1.00 0.00 N ATOM 597 CA SER A 41 -1.102 5.249 -5.237 1.00 0.00 C ATOM 598 C SER A 41 -2.339 4.440 -4.860 1.00 0.00 C ATOM 599 O SER A 41 -2.357 3.215 -4.988 1.00 0.00 O ATOM 600 CB SER A 41 -0.770 5.035 -6.715 1.00 0.00 C ATOM 601 OG SER A 41 -1.769 5.597 -7.549 1.00 0.00 O ATOM 0 H SER A 41 0.469 3.989 -4.655 1.00 0.00 H new ATOM 0 HA SER A 41 -1.314 6.305 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.195 5.487 -6.943 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.679 3.968 -6.920 1.00 0.00 H new ATOM 0 HG SER A 41 -2.245 6.301 -7.061 1.00 0.00 H new ATOM 607 N PHE A 42 -3.373 5.133 -4.395 1.00 0.00 N ATOM 608 CA PHE A 42 -4.615 4.481 -3.998 1.00 0.00 C ATOM 609 C PHE A 42 -5.788 4.993 -4.829 1.00 0.00 C ATOM 610 O PHE A 42 -6.082 6.189 -4.838 1.00 0.00 O ATOM 611 CB PHE A 42 -4.887 4.717 -2.511 1.00 0.00 C ATOM 612 CG PHE A 42 -5.504 6.055 -2.220 1.00 0.00 C ATOM 613 CD1 PHE A 42 -4.729 7.204 -2.217 1.00 0.00 C ATOM 614 CD2 PHE A 42 -6.858 6.165 -1.949 1.00 0.00 C ATOM 615 CE1 PHE A 42 -5.294 8.436 -1.948 1.00 0.00 C ATOM 616 CE2 PHE A 42 -7.429 7.394 -1.680 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.646 8.532 -1.681 1.00 0.00 C ATOM 0 H PHE A 42 -3.375 6.147 -4.284 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.507 3.411 -4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.548 3.933 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.950 4.630 -1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.672 7.136 -2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.475 5.279 -1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.679 9.324 -1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.486 7.465 -1.469 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.090 9.495 -1.474 1.00 0.00 H new ATOM 627 N HIS A 43 -6.454 4.079 -5.527 1.00 0.00 N ATOM 628 CA HIS A 43 -7.596 4.437 -6.362 1.00 0.00 C ATOM 629 C HIS A 43 -8.846 3.679 -5.927 1.00 0.00 C ATOM 630 O HIS A 43 -8.759 2.644 -5.264 1.00 0.00 O ATOM 631 CB HIS A 43 -7.292 4.143 -7.831 1.00 0.00 C ATOM 632 CG HIS A 43 -7.614 2.738 -8.240 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.887 1.646 -7.817 1.00 0.00 N ATOM 634 CD2 HIS A 43 -8.594 2.250 -9.037 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.404 0.547 -8.338 1.00 0.00 C ATOM 636 NE2 HIS A 43 -8.442 0.886 -9.081 1.00 0.00 N ATOM 0 H HIS A 43 -6.223 3.085 -5.531 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.781 5.505 -6.244 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.858 4.833 -8.456 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.236 4.335 -8.020 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.354 2.826 -9.544 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.040 -0.458 -8.183 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.034 0.240 -9.603 1.00 0.00 H new ATOM 645 N THR A 44 -10.010 4.200 -6.304 1.00 0.00 N ATOM 646 CA THR A 44 -11.278 3.574 -5.951 1.00 0.00 C ATOM 647 C THR A 44 -11.752 2.634 -7.054 1.00 0.00 C ATOM 648 O THR A 44 -11.425 2.801 -8.229 1.00 0.00 O ATOM 649 CB THR A 44 -12.370 4.627 -5.685 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.064 4.931 -6.900 1.00 0.00 O ATOM 651 CG2 THR A 44 -11.766 5.899 -5.108 1.00 0.00 C ATOM 0 H THR A 44 -10.100 5.054 -6.854 1.00 0.00 H new ATOM 0 HA THR A 44 -11.106 3.003 -5.039 1.00 0.00 H new ATOM 0 HB THR A 44 -13.072 4.215 -4.960 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.758 5.600 -6.722 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.556 6.628 -4.928 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.264 5.669 -4.168 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.045 6.312 -5.813 1.00 0.00 H new ATOM 659 N PRO A 45 -12.544 1.622 -6.669 1.00 0.00 N ATOM 660 CA PRO A 45 -13.081 0.636 -7.611 1.00 0.00 C ATOM 661 C PRO A 45 -14.133 1.234 -8.540 1.00 0.00 C ATOM 662 O PRO A 45 -14.727 0.531 -9.356 1.00 0.00 O ATOM 663 CB PRO A 45 -13.712 -0.420 -6.699 1.00 0.00 C ATOM 664 CG PRO A 45 -14.040 0.312 -5.444 1.00 0.00 C ATOM 665 CD PRO A 45 -12.975 1.362 -5.285 1.00 0.00 C ATOM 0 HA PRO A 45 -12.309 0.242 -8.272 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.605 -0.851 -7.151 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.022 -1.242 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.029 0.766 -5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.051 -0.365 -4.589 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.366 2.262 -4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.150 1.008 -4.667 1.00 0.00 H new ATOM 704 N THR A 49 -7.986 7.687 -10.053 1.00 0.00 N ATOM 705 CA THR A 49 -6.866 7.257 -9.225 1.00 0.00 C ATOM 706 C THR A 49 -6.069 8.452 -8.714 1.00 0.00 C ATOM 707 O THR A 49 -5.886 9.437 -9.428 1.00 0.00 O ATOM 708 CB THR A 49 -5.922 6.318 -10.000 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.591 5.088 -10.299 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.662 6.034 -9.197 1.00 0.00 C ATOM 0 HA THR A 49 -7.289 6.717 -8.378 1.00 0.00 H new ATOM 0 HB THR A 49 -5.638 6.811 -10.929 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.985 4.497 -10.793 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.011 5.369 -9.765 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.140 6.969 -8.997 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.931 5.560 -8.253 1.00 0.00 H new ATOM 718 N GLN A 50 -5.597 8.357 -7.475 1.00 0.00 N ATOM 719 CA GLN A 50 -4.820 9.431 -6.870 1.00 0.00 C ATOM 720 C GLN A 50 -3.443 8.933 -6.443 1.00 0.00 C ATOM 721 O GLN A 50 -3.306 7.822 -5.934 1.00 0.00 O ATOM 722 CB GLN A 50 -5.562 10.010 -5.664 1.00 0.00 C ATOM 723 CG GLN A 50 -4.899 11.245 -5.077 1.00 0.00 C ATOM 724 CD GLN A 50 -4.545 12.275 -6.132 1.00 0.00 C ATOM 725 OE1 GLN A 50 -3.463 12.233 -6.718 1.00 0.00 O ATOM 726 NE2 GLN A 50 -5.458 13.207 -6.380 1.00 0.00 N ATOM 0 H GLN A 50 -5.739 7.547 -6.871 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.688 10.214 -7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.580 10.261 -5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.635 9.245 -4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.566 11.697 -4.343 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.994 10.949 -4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.342 13.204 -5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.276 13.926 -7.080 1.00 0.00 H new ATOM 735 N GLU A 51 -2.427 9.764 -6.655 1.00 0.00 N ATOM 736 CA GLU A 51 -1.060 9.406 -6.293 1.00 0.00 C ATOM 737 C GLU A 51 -0.558 10.273 -5.142 1.00 0.00 C ATOM 738 O GLU A 51 -0.653 11.500 -5.188 1.00 0.00 O ATOM 739 CB GLU A 51 -0.133 9.554 -7.501 1.00 0.00 C ATOM 740 CG GLU A 51 -0.577 8.751 -8.711 1.00 0.00 C ATOM 741 CD GLU A 51 -1.544 9.514 -9.595 1.00 0.00 C ATOM 742 OE1 GLU A 51 -1.146 10.563 -10.144 1.00 0.00 O ATOM 743 OE2 GLU A 51 -2.699 9.061 -9.739 1.00 0.00 O ATOM 0 H GLU A 51 -2.524 10.688 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.057 8.365 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.074 10.607 -7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.872 9.242 -7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.298 8.468 -9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.048 7.827 -8.376 1.00 0.00 H new ATOM 750 N ILE A 52 -0.023 9.627 -4.112 1.00 0.00 N ATOM 751 CA ILE A 52 0.495 10.338 -2.950 1.00 0.00 C ATOM 752 C ILE A 52 1.994 10.109 -2.788 1.00 0.00 C ATOM 753 O ILE A 52 2.489 8.999 -2.990 1.00 0.00 O ATOM 754 CB ILE A 52 -0.221 9.904 -1.658 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.726 10.155 -1.774 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.354 10.643 -0.459 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.540 9.457 -0.706 1.00 0.00 C ATOM 0 H ILE A 52 0.063 8.612 -4.058 1.00 0.00 H new ATOM 0 HA ILE A 52 0.308 11.398 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.060 8.836 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.912 11.227 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.067 9.823 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.163 10.325 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.417 10.418 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.221 11.716 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.597 9.680 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.383 8.380 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.227 9.807 0.277 1.00 0.00 H new ATOM 769 N LEU A 53 2.712 11.165 -2.421 1.00 0.00 N ATOM 770 CA LEU A 53 4.156 11.079 -2.230 1.00 0.00 C ATOM 771 C LEU A 53 4.496 10.812 -0.767 1.00 0.00 C ATOM 772 O LEU A 53 4.277 11.661 0.097 1.00 0.00 O ATOM 773 CB LEU A 53 4.829 12.372 -2.694 1.00 0.00 C ATOM 774 CG LEU A 53 5.241 12.423 -4.166 1.00 0.00 C ATOM 775 CD1 LEU A 53 6.191 11.281 -4.494 1.00 0.00 C ATOM 776 CD2 LEU A 53 4.015 12.374 -5.065 1.00 0.00 C ATOM 0 H LEU A 53 2.318 12.090 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 53 4.529 10.248 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.150 13.202 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.717 12.536 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 53 5.761 13.364 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.473 11.333 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.084 11.361 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.697 10.329 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.327 12.411 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.467 11.449 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.371 13.226 -4.848 1.00 0.00 H new ATOM 788 N LEU A 54 5.035 9.628 -0.498 1.00 0.00 N ATOM 789 CA LEU A 54 5.409 9.249 0.861 1.00 0.00 C ATOM 790 C LEU A 54 6.899 9.477 1.099 1.00 0.00 C ATOM 791 O LEU A 54 7.730 9.295 0.209 1.00 0.00 O ATOM 792 CB LEU A 54 5.058 7.783 1.117 1.00 0.00 C ATOM 793 CG LEU A 54 3.568 7.438 1.108 1.00 0.00 C ATOM 794 CD1 LEU A 54 3.296 6.224 1.984 1.00 0.00 C ATOM 795 CD2 LEU A 54 2.743 8.629 1.573 1.00 0.00 C ATOM 0 H LEU A 54 5.223 8.914 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 54 4.849 9.876 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.556 7.174 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.471 7.495 2.083 1.00 0.00 H new ATOM 0 HG LEU A 54 3.276 7.196 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.231 5.993 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.859 5.370 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.603 6.438 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.685 8.366 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.037 8.902 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.915 9.473 0.906 1.00 0.00 H new ATOM 807 N PRO A 55 7.246 9.882 2.329 1.00 0.00 N ATOM 808 CA PRO A 55 8.637 10.140 2.715 1.00 0.00 C ATOM 809 C PRO A 55 9.463 8.861 2.796 1.00 0.00 C ATOM 810 O PRO A 55 9.377 8.116 3.772 1.00 0.00 O ATOM 811 CB PRO A 55 8.508 10.782 4.098 1.00 0.00 C ATOM 812 CG PRO A 55 7.212 10.278 4.631 1.00 0.00 C ATOM 813 CD PRO A 55 6.308 10.118 3.440 1.00 0.00 C ATOM 0 HA PRO A 55 9.153 10.765 1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.339 10.499 4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.512 11.870 4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.346 9.329 5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.788 10.977 5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.619 9.283 3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.703 11.009 3.272 1.00 0.00 H new ATOM 821 N GLY A 56 10.263 8.611 1.764 1.00 0.00 N ATOM 822 CA GLY A 56 11.093 7.421 1.739 1.00 0.00 C ATOM 823 C GLY A 56 11.807 7.185 3.056 1.00 0.00 C ATOM 824 O GLY A 56 12.835 7.801 3.331 1.00 0.00 O ATOM 0 H GLY A 56 10.351 9.212 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.474 6.555 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.830 7.512 0.941 1.00 0.00 H new ATOM 828 N GLY A 57 11.259 6.290 3.872 1.00 0.00 N ATOM 829 CA GLY A 57 11.863 5.992 5.158 1.00 0.00 C ATOM 830 C GLY A 57 10.832 5.699 6.229 1.00 0.00 C ATOM 831 O GLY A 57 11.012 6.068 7.390 1.00 0.00 O ATOM 0 H GLY A 57 10.408 5.766 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.528 5.134 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.478 6.836 5.471 1.00 0.00 H new ATOM 835 N ILE A 58 9.747 5.038 5.840 1.00 0.00 N ATOM 836 CA ILE A 58 8.683 4.697 6.776 1.00 0.00 C ATOM 837 C ILE A 58 8.193 3.270 6.555 1.00 0.00 C ATOM 838 O ILE A 58 8.397 2.689 5.489 1.00 0.00 O ATOM 839 CB ILE A 58 7.491 5.664 6.648 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.570 5.225 5.507 1.00 0.00 C ATOM 841 CG2 ILE A 58 7.983 7.085 6.421 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.376 6.132 5.311 1.00 0.00 C ATOM 0 H ILE A 58 9.582 4.728 4.882 1.00 0.00 H new ATOM 0 HA ILE A 58 9.104 4.782 7.778 1.00 0.00 H new ATOM 0 HB ILE A 58 6.923 5.641 7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.144 5.189 4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.218 4.212 5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.129 7.756 6.333 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.602 7.395 7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.571 7.124 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.768 5.760 4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.779 6.150 6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.719 7.141 5.082 1.00 0.00 H new ATOM 854 N THR A 59 7.542 2.710 7.571 1.00 0.00 N ATOM 855 CA THR A 59 7.021 1.352 7.488 1.00 0.00 C ATOM 856 C THR A 59 5.497 1.348 7.456 1.00 0.00 C ATOM 857 O THR A 59 4.876 0.335 7.136 1.00 0.00 O ATOM 858 CB THR A 59 7.500 0.494 8.674 1.00 0.00 C ATOM 859 OG1 THR A 59 7.361 1.226 9.897 1.00 0.00 O ATOM 860 CG2 THR A 59 8.951 0.077 8.489 1.00 0.00 C ATOM 0 H THR A 59 7.364 3.177 8.460 1.00 0.00 H new ATOM 0 HA THR A 59 7.402 0.924 6.561 1.00 0.00 H new ATOM 0 HB THR A 59 6.883 -0.404 8.717 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.666 0.673 10.646 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.267 -0.528 9.339 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.048 -0.506 7.573 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.579 0.965 8.422 1.00 0.00 H new ATOM 868 N SER A 60 4.900 2.488 7.789 1.00 0.00 N ATOM 869 CA SER A 60 3.448 2.616 7.801 1.00 0.00 C ATOM 870 C SER A 60 3.027 4.064 7.570 1.00 0.00 C ATOM 871 O SER A 60 3.694 4.996 8.022 1.00 0.00 O ATOM 872 CB SER A 60 2.882 2.114 9.130 1.00 0.00 C ATOM 873 OG SER A 60 3.269 2.958 10.201 1.00 0.00 O ATOM 0 H SER A 60 5.400 3.337 8.054 1.00 0.00 H new ATOM 0 HA SER A 60 3.048 2.007 6.990 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.794 2.070 9.072 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.232 1.099 9.318 1.00 0.00 H new ATOM 0 HG SER A 60 2.893 2.616 11.039 1.00 0.00 H new ATOM 879 N HIS A 61 1.916 4.246 6.864 1.00 0.00 N ATOM 880 CA HIS A 61 1.405 5.581 6.573 1.00 0.00 C ATOM 881 C HIS A 61 -0.094 5.660 6.849 1.00 0.00 C ATOM 882 O HIS A 61 -0.850 4.763 6.479 1.00 0.00 O ATOM 883 CB HIS A 61 1.687 5.952 5.117 1.00 0.00 C ATOM 884 CG HIS A 61 1.632 7.425 4.853 1.00 0.00 C ATOM 885 ND1 HIS A 61 0.771 7.993 3.938 1.00 0.00 N ATOM 886 CD2 HIS A 61 2.335 8.448 5.391 1.00 0.00 C ATOM 887 CE1 HIS A 61 0.949 9.302 3.923 1.00 0.00 C ATOM 888 NE2 HIS A 61 1.892 9.604 4.797 1.00 0.00 N ATOM 0 H HIS A 61 1.352 3.486 6.483 1.00 0.00 H new ATOM 0 HA HIS A 61 1.915 6.289 7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.673 5.578 4.840 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.963 5.449 4.476 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.102 8.370 6.147 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.414 10.005 3.302 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.235 10.543 4.998 1.00 0.00 H new ATOM 897 N GLN A 62 -0.514 6.740 7.500 1.00 0.00 N ATOM 898 CA GLN A 62 -1.921 6.935 7.827 1.00 0.00 C ATOM 899 C GLN A 62 -2.674 7.543 6.648 1.00 0.00 C ATOM 900 O GLN A 62 -2.443 8.695 6.278 1.00 0.00 O ATOM 901 CB GLN A 62 -2.062 7.835 9.056 1.00 0.00 C ATOM 902 CG GLN A 62 -3.504 8.144 9.422 1.00 0.00 C ATOM 903 CD GLN A 62 -4.233 6.942 9.990 1.00 0.00 C ATOM 904 OE1 GLN A 62 -4.556 5.984 9.129 1.00 0.00 O flip ATOM 905 NE2 GLN A 62 -4.503 6.874 11.189 1.00 0.00 N flip ATOM 0 H GLN A 62 0.100 7.493 7.811 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.355 5.960 8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.575 7.355 9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.534 8.771 8.873 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.524 8.954 10.151 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.031 8.499 8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.236 7.633 11.816 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.994 6.058 11.556 1.00 0.00 H new ATOM 914 N LEU A 63 -3.575 6.763 6.062 1.00 0.00 N ATOM 915 CA LEU A 63 -4.363 7.224 4.924 1.00 0.00 C ATOM 916 C LEU A 63 -5.623 7.946 5.391 1.00 0.00 C ATOM 917 O LEU A 63 -6.205 7.600 6.420 1.00 0.00 O ATOM 918 CB LEU A 63 -4.740 6.044 4.027 1.00 0.00 C ATOM 919 CG LEU A 63 -3.678 5.601 3.020 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.188 4.436 2.185 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.273 6.763 2.126 1.00 0.00 C ATOM 0 H LEU A 63 -3.778 5.808 6.356 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.755 7.926 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.986 5.194 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.645 6.305 3.479 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.798 5.269 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.419 4.134 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.427 3.597 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.083 4.741 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.517 6.429 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.146 7.126 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.866 7.568 2.738 1.00 0.00 H new ATOM 933 N LEU A 64 -6.041 8.949 4.627 1.00 0.00 N ATOM 934 CA LEU A 64 -7.234 9.719 4.960 1.00 0.00 C ATOM 935 C LEU A 64 -8.158 9.843 3.753 1.00 0.00 C ATOM 936 O LEU A 64 -7.760 9.561 2.623 1.00 0.00 O ATOM 937 CB LEU A 64 -6.844 11.110 5.463 1.00 0.00 C ATOM 938 CG LEU A 64 -5.757 11.155 6.538 1.00 0.00 C ATOM 939 CD1 LEU A 64 -5.305 12.587 6.780 1.00 0.00 C ATOM 940 CD2 LEU A 64 -6.259 10.526 7.830 1.00 0.00 C ATOM 0 H LEU A 64 -5.571 9.248 3.772 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.768 9.190 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.509 11.702 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.737 11.595 5.857 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.900 10.580 6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.531 12.600 7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.905 13.004 5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.154 13.186 7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.473 10.567 8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.132 11.073 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.532 9.487 7.647 1.00 0.00 H new ATOM 952 N GLY A 65 -9.393 10.268 4.000 1.00 0.00 N ATOM 953 CA GLY A 65 -10.353 10.424 2.923 1.00 0.00 C ATOM 954 C GLY A 65 -10.793 9.095 2.341 1.00 0.00 C ATOM 955 O GLY A 65 -10.605 8.837 1.152 1.00 0.00 O ATOM 0 H GLY A 65 -9.746 10.507 4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.226 10.962 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.914 11.035 2.134 1.00 0.00 H new ATOM 959 N LEU A 66 -11.379 8.249 3.181 1.00 0.00 N ATOM 960 CA LEU A 66 -11.846 6.938 2.744 1.00 0.00 C ATOM 961 C LEU A 66 -13.361 6.827 2.875 1.00 0.00 C ATOM 962 O LEU A 66 -13.976 7.513 3.693 1.00 0.00 O ATOM 963 CB LEU A 66 -11.170 5.835 3.562 1.00 0.00 C ATOM 964 CG LEU A 66 -9.645 5.908 3.655 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.115 4.825 4.582 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.020 5.783 2.273 1.00 0.00 C ATOM 0 H LEU A 66 -11.542 8.447 4.168 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.581 6.818 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.577 5.858 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.442 4.872 3.131 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.371 6.878 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.028 4.892 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.537 4.960 5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.399 3.846 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.935 5.837 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.302 4.827 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.375 6.595 1.638 1.00 0.00 H new ATOM 978 N PHE A 67 -13.958 5.958 2.066 1.00 0.00 N ATOM 979 CA PHE A 67 -15.403 5.757 2.093 1.00 0.00 C ATOM 980 C PHE A 67 -15.767 4.548 2.949 1.00 0.00 C ATOM 981 O PHE A 67 -15.007 3.587 3.067 1.00 0.00 O ATOM 982 CB PHE A 67 -15.939 5.570 0.672 1.00 0.00 C ATOM 983 CG PHE A 67 -15.800 6.795 -0.187 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.105 8.049 0.318 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.365 6.692 -1.498 1.00 0.00 C ATOM 986 CE1 PHE A 67 -15.979 9.177 -0.471 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.236 7.817 -2.291 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.543 9.061 -1.776 1.00 0.00 C ATOM 0 H PHE A 67 -13.464 5.382 1.384 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.861 6.643 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.411 4.742 0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -16.991 5.289 0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.445 8.146 1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.124 5.721 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.222 10.149 -0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.896 7.723 -3.312 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.442 9.942 -2.393 1.00 0.00 H new ATOM 998 N PRO A 68 -16.959 4.596 3.562 1.00 0.00 N ATOM 999 CA PRO A 68 -17.453 3.514 4.419 1.00 0.00 C ATOM 1000 C PRO A 68 -17.802 2.260 3.625 1.00 0.00 C ATOM 1001 O PRO A 68 -18.671 2.287 2.753 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.710 4.111 5.056 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.165 5.152 4.092 1.00 0.00 C ATOM 1004 CD PRO A 68 -17.917 5.711 3.467 1.00 0.00 C ATOM 0 HA PRO A 68 -16.704 3.193 5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.476 3.351 5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.492 4.544 6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.822 4.723 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -19.731 5.933 4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.085 6.010 2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.561 6.593 4.000 1.00 0.00 H new ATOM 1012 N SER A 69 -17.120 1.161 3.932 1.00 0.00 N ATOM 1013 CA SER A 69 -17.357 -0.103 3.244 1.00 0.00 C ATOM 1014 C SER A 69 -16.930 -0.014 1.782 1.00 0.00 C ATOM 1015 O SER A 69 -17.563 -0.597 0.901 1.00 0.00 O ATOM 1016 CB SER A 69 -18.835 -0.488 3.334 1.00 0.00 C ATOM 1017 OG SER A 69 -19.054 -1.792 2.825 1.00 0.00 O ATOM 0 H SER A 69 -16.399 1.120 4.652 1.00 0.00 H new ATOM 0 HA SER A 69 -16.759 -0.872 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.164 -0.439 4.372 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.436 0.230 2.775 1.00 0.00 H new ATOM 0 HG SER A 69 -18.701 -1.851 1.913 1.00 0.00 H new ATOM 1023 N THR A 70 -15.852 0.722 1.531 1.00 0.00 N ATOM 1024 CA THR A 70 -15.340 0.890 0.176 1.00 0.00 C ATOM 1025 C THR A 70 -13.935 0.312 0.044 1.00 0.00 C ATOM 1026 O THR A 70 -12.991 0.804 0.662 1.00 0.00 O ATOM 1027 CB THR A 70 -15.313 2.374 -0.234 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.636 2.920 -0.183 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.745 2.538 -1.636 1.00 0.00 C ATOM 0 H THR A 70 -15.316 1.211 2.248 1.00 0.00 H new ATOM 0 HA THR A 70 -16.016 0.350 -0.487 1.00 0.00 H new ATOM 0 HB THR A 70 -14.672 2.910 0.466 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.756 3.555 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.736 3.595 -1.904 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.728 2.148 -1.664 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.364 1.989 -2.346 1.00 0.00 H new ATOM 1037 N SER A 71 -13.804 -0.733 -0.766 1.00 0.00 N ATOM 1038 CA SER A 71 -12.514 -1.380 -0.978 1.00 0.00 C ATOM 1039 C SER A 71 -11.548 -0.443 -1.696 1.00 0.00 C ATOM 1040 O SER A 71 -11.933 0.273 -2.621 1.00 0.00 O ATOM 1041 CB SER A 71 -12.691 -2.667 -1.786 1.00 0.00 C ATOM 1042 OG SER A 71 -11.500 -3.433 -1.791 1.00 0.00 O ATOM 0 H SER A 71 -14.575 -1.150 -1.287 1.00 0.00 H new ATOM 0 HA SER A 71 -12.095 -1.628 -0.003 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.505 -3.257 -1.363 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.974 -2.422 -2.810 1.00 0.00 H new ATOM 0 HG SER A 71 -11.639 -4.251 -2.312 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.292 -0.454 -1.264 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.270 0.396 -1.864 1.00 0.00 C ATOM 1050 C TYR A 72 -8.047 -0.423 -2.264 1.00 0.00 C ATOM 1051 O TYR A 72 -7.695 -1.397 -1.601 1.00 0.00 O ATOM 1052 CB TYR A 72 -8.861 1.502 -0.890 1.00 0.00 C ATOM 1053 CG TYR A 72 -9.779 2.704 -0.918 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -10.890 2.774 -0.087 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -9.535 3.769 -1.777 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -11.731 3.869 -0.110 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -10.370 4.869 -1.806 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.467 4.914 -0.970 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.302 6.008 -0.997 1.00 0.00 O ATOM 0 H TYR A 72 -9.957 -1.042 -0.501 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.691 0.849 -2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.840 1.095 0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.847 1.825 -1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -11.100 1.958 0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.678 3.736 -2.433 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -12.591 3.907 0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -10.166 5.689 -2.479 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.217 5.716 -1.191 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.403 -0.018 -3.354 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.218 -0.713 -3.844 1.00 0.00 C ATOM 1071 C ASN A 73 -4.974 0.157 -3.688 1.00 0.00 C ATOM 1072 O ASN A 73 -4.786 1.126 -4.423 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.401 -1.103 -5.312 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.567 -2.310 -5.697 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -4.439 -2.064 -6.354 1.00 0.00 O flip ATOM 1076 ND2 ASN A 73 -5.933 -3.449 -5.408 1.00 0.00 N flip ATOM 0 H ASN A 73 -7.682 0.787 -3.914 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.085 -1.616 -3.249 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.453 -1.317 -5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.129 -0.259 -5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.807 -3.591 -4.902 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.362 -4.251 -5.674 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.127 -0.198 -2.727 1.00 0.00 N ATOM 1084 CA ALA A 74 -2.900 0.548 -2.476 1.00 0.00 C ATOM 1085 C ALA A 74 -1.711 -0.102 -3.174 1.00 0.00 C ATOM 1086 O ALA A 74 -1.665 -1.322 -3.336 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.643 0.654 -0.980 1.00 0.00 C ATOM 0 H ALA A 74 -4.268 -0.998 -2.110 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.024 1.551 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.724 1.213 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.477 1.170 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.545 -0.345 -0.556 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.751 0.719 -3.586 1.00 0.00 N ATOM 1094 CA ARG A 75 0.438 0.223 -4.269 1.00 0.00 C ATOM 1095 C ARG A 75 1.690 0.939 -3.769 1.00 0.00 C ATOM 1096 O ARG A 75 1.885 2.127 -4.031 1.00 0.00 O ATOM 1097 CB ARG A 75 0.300 0.410 -5.781 1.00 0.00 C ATOM 1098 CG ARG A 75 1.470 -0.150 -6.573 1.00 0.00 C ATOM 1099 CD ARG A 75 1.240 -0.021 -8.071 1.00 0.00 C ATOM 1100 NE ARG A 75 0.558 -1.189 -8.623 1.00 0.00 N ATOM 1101 CZ ARG A 75 0.101 -1.253 -9.868 1.00 0.00 C ATOM 1102 NH1 ARG A 75 0.252 -0.221 -10.687 1.00 0.00 N ATOM 1103 NH2 ARG A 75 -0.510 -2.350 -10.297 1.00 0.00 N ATOM 0 H ARG A 75 -0.773 1.731 -3.459 1.00 0.00 H new ATOM 0 HA ARG A 75 0.536 -0.840 -4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.618 -0.072 -6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.200 1.473 -5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.383 0.377 -6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.617 -1.199 -6.315 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.648 0.872 -8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.198 0.111 -8.575 1.00 0.00 H new ATOM 0 HE ARG A 75 0.426 -2.000 -8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.720 0.625 -10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.100 -0.273 -11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.629 -3.146 -9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.861 -2.398 -11.254 1.00 0.00 H new ATOM 1117 N LEU A 76 2.535 0.210 -3.049 1.00 0.00 N ATOM 1118 CA LEU A 76 3.768 0.775 -2.512 1.00 0.00 C ATOM 1119 C LEU A 76 4.925 0.581 -3.487 1.00 0.00 C ATOM 1120 O LEU A 76 5.439 -0.526 -3.643 1.00 0.00 O ATOM 1121 CB LEU A 76 4.105 0.129 -1.168 1.00 0.00 C ATOM 1122 CG LEU A 76 5.261 0.761 -0.390 1.00 0.00 C ATOM 1123 CD1 LEU A 76 4.830 2.084 0.224 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.763 -0.191 0.686 1.00 0.00 C ATOM 0 H LEU A 76 2.389 -0.774 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 76 3.615 1.844 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.214 0.156 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.341 -0.921 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 76 6.078 0.956 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.665 2.519 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.520 2.768 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.996 1.914 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.585 0.275 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.952 -0.417 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.112 -1.114 0.222 1.00 0.00 H new ATOM 1136 N GLN A 77 5.331 1.666 -4.139 1.00 0.00 N ATOM 1137 CA GLN A 77 6.429 1.615 -5.097 1.00 0.00 C ATOM 1138 C GLN A 77 7.524 2.609 -4.724 1.00 0.00 C ATOM 1139 O GLN A 77 7.261 3.796 -4.534 1.00 0.00 O ATOM 1140 CB GLN A 77 5.917 1.909 -6.508 1.00 0.00 C ATOM 1141 CG GLN A 77 6.711 1.213 -7.601 1.00 0.00 C ATOM 1142 CD GLN A 77 6.262 1.611 -8.993 1.00 0.00 C ATOM 1143 OE1 GLN A 77 5.584 2.623 -9.173 1.00 0.00 O ATOM 1144 NE2 GLN A 77 6.638 0.816 -9.987 1.00 0.00 N ATOM 0 H GLN A 77 4.916 2.590 -4.021 1.00 0.00 H new ATOM 0 HA GLN A 77 6.852 0.611 -5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.873 1.603 -6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.946 2.985 -6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.768 1.450 -7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.611 0.134 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.200 -0.013 -9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.365 1.034 -10.945 1.00 0.00 H new ATOM 1153 N ALA A 78 8.754 2.115 -4.619 1.00 0.00 N ATOM 1154 CA ALA A 78 9.889 2.960 -4.270 1.00 0.00 C ATOM 1155 C ALA A 78 10.679 3.359 -5.512 1.00 0.00 C ATOM 1156 O ALA A 78 10.868 2.554 -6.424 1.00 0.00 O ATOM 1157 CB ALA A 78 10.792 2.247 -3.275 1.00 0.00 C ATOM 0 H ALA A 78 8.989 1.134 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 78 9.504 3.869 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.635 2.890 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.228 2.018 -2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.161 1.321 -3.717 1.00 0.00 H new ATOM 1163 N MET A 79 11.138 4.606 -5.541 1.00 0.00 N ATOM 1164 CA MET A 79 11.908 5.110 -6.672 1.00 0.00 C ATOM 1165 C MET A 79 13.385 4.760 -6.524 1.00 0.00 C ATOM 1166 O MET A 79 14.034 5.161 -5.557 1.00 0.00 O ATOM 1167 CB MET A 79 11.741 6.626 -6.794 1.00 0.00 C ATOM 1168 CG MET A 79 10.291 7.079 -6.804 1.00 0.00 C ATOM 1169 SD MET A 79 10.120 8.857 -7.052 1.00 0.00 S ATOM 1170 CE MET A 79 9.763 9.399 -5.382 1.00 0.00 C ATOM 0 H MET A 79 10.990 5.285 -4.795 1.00 0.00 H new ATOM 0 HA MET A 79 11.530 4.635 -7.577 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.258 7.108 -5.964 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.225 6.964 -7.710 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.756 6.553 -7.594 1.00 0.00 H new ATOM 0 HG3 MET A 79 9.821 6.801 -5.861 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.474 10.450 -5.394 1.00 0.00 H new ATOM 0 HE2 MET A 79 8.947 8.803 -4.973 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.650 9.274 -4.761 1.00 0.00 H new ATOM 1180 N TRP A 80 13.910 4.010 -7.485 1.00 0.00 N ATOM 1181 CA TRP A 80 15.311 3.605 -7.461 1.00 0.00 C ATOM 1182 C TRP A 80 16.058 4.156 -8.670 1.00 0.00 C ATOM 1183 O TRP A 80 15.453 4.479 -9.691 1.00 0.00 O ATOM 1184 CB TRP A 80 15.422 2.080 -7.428 1.00 0.00 C ATOM 1185 CG TRP A 80 15.345 1.508 -6.045 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.367 1.398 -5.146 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.185 0.965 -5.406 1.00 0.00 C ATOM 1188 NE1 TRP A 80 15.911 0.820 -3.985 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.576 0.546 -4.119 1.00 0.00 C ATOM 1190 CE3 TRP A 80 12.853 0.795 -5.794 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.683 -0.033 -3.222 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 11.968 0.219 -4.902 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.385 -0.188 -3.628 1.00 0.00 C ATOM 0 H TRP A 80 13.387 3.669 -8.292 1.00 0.00 H new ATOM 0 HA TRP A 80 15.766 4.015 -6.559 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.625 1.652 -8.035 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.366 1.782 -7.885 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.384 1.718 -5.321 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.476 0.627 -3.158 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.521 1.108 -6.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 14.003 -0.349 -2.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 10.937 0.080 -5.192 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.669 -0.633 -2.953 1.00 0.00 H new ATOM 1204 N GLY A 81 17.378 4.262 -8.547 1.00 0.00 N ATOM 1205 CA GLY A 81 18.186 4.775 -9.638 1.00 0.00 C ATOM 1206 C GLY A 81 17.721 4.271 -10.990 1.00 0.00 C ATOM 1207 O GLY A 81 17.813 3.079 -11.280 1.00 0.00 O ATOM 0 H GLY A 81 17.902 4.002 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.154 5.864 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.225 4.486 -9.484 1.00 0.00 H new ATOM 1211 N GLN A 82 17.219 5.182 -11.818 1.00 0.00 N ATOM 1212 CA GLN A 82 16.735 4.822 -13.146 1.00 0.00 C ATOM 1213 C GLN A 82 16.105 3.433 -13.138 1.00 0.00 C ATOM 1214 O GLN A 82 16.365 2.618 -14.023 1.00 0.00 O ATOM 1215 CB GLN A 82 17.880 4.870 -14.159 1.00 0.00 C ATOM 1216 CG GLN A 82 18.180 6.269 -14.672 1.00 0.00 C ATOM 1217 CD GLN A 82 19.269 6.283 -15.727 1.00 0.00 C ATOM 1218 OE1 GLN A 82 18.994 6.157 -16.921 1.00 0.00 O ATOM 1219 NE2 GLN A 82 20.514 6.436 -15.292 1.00 0.00 N ATOM 0 H GLN A 82 17.137 6.173 -11.593 1.00 0.00 H new ATOM 0 HA GLN A 82 15.972 5.545 -13.436 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.779 4.460 -13.698 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.634 4.227 -15.004 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.270 6.702 -15.088 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.481 6.901 -13.837 1.00 0.00 H new ATOM 0 HE21 GLN A 82 20.697 6.537 -14.294 1.00 0.00 H new ATOM 0 HE22 GLN A 82 21.288 6.453 -15.956 1.00 0.00 H new ATOM 1228 N SER A 83 15.277 3.170 -12.133 1.00 0.00 N ATOM 1229 CA SER A 83 14.613 1.878 -12.007 1.00 0.00 C ATOM 1230 C SER A 83 13.385 1.983 -11.107 1.00 0.00 C ATOM 1231 O SER A 83 13.344 2.799 -10.185 1.00 0.00 O ATOM 1232 CB SER A 83 15.582 0.835 -11.447 1.00 0.00 C ATOM 1233 OG SER A 83 16.535 0.449 -12.422 1.00 0.00 O ATOM 0 H SER A 83 15.050 3.835 -11.393 1.00 0.00 H new ATOM 0 HA SER A 83 14.289 1.566 -13.000 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.094 1.241 -10.574 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.025 -0.040 -11.112 1.00 0.00 H new ATOM 0 HG SER A 83 16.534 1.099 -13.156 1.00 0.00 H new ATOM 1239 N LEU A 84 12.386 1.152 -11.382 1.00 0.00 N ATOM 1240 CA LEU A 84 11.155 1.150 -10.598 1.00 0.00 C ATOM 1241 C LEU A 84 10.781 -0.267 -10.177 1.00 0.00 C ATOM 1242 O LEU A 84 9.967 -0.925 -10.826 1.00 0.00 O ATOM 1243 CB LEU A 84 10.013 1.773 -11.403 1.00 0.00 C ATOM 1244 CG LEU A 84 10.257 3.188 -11.929 1.00 0.00 C ATOM 1245 CD1 LEU A 84 9.372 3.471 -13.132 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.012 4.214 -10.832 1.00 0.00 C ATOM 0 H LEU A 84 12.404 0.471 -12.141 1.00 0.00 H new ATOM 0 HA LEU A 84 11.324 1.744 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.797 1.124 -12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.120 1.788 -10.778 1.00 0.00 H new ATOM 0 HG LEU A 84 11.298 3.263 -12.244 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.560 4.483 -13.492 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.595 2.756 -13.924 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.325 3.377 -12.844 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.190 5.215 -11.224 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.981 4.138 -10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.689 4.025 -9.999 1.00 0.00 H new ATOM 1258 N LEU A 85 11.378 -0.731 -9.084 1.00 0.00 N ATOM 1259 CA LEU A 85 11.105 -2.070 -8.574 1.00 0.00 C ATOM 1260 C LEU A 85 9.610 -2.370 -8.601 1.00 0.00 C ATOM 1261 O LEU A 85 8.771 -1.471 -8.539 1.00 0.00 O ATOM 1262 CB LEU A 85 11.640 -2.212 -7.148 1.00 0.00 C ATOM 1263 CG LEU A 85 13.147 -2.023 -6.974 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.557 -2.298 -5.535 1.00 0.00 C ATOM 1265 CD2 LEU A 85 13.912 -2.926 -7.930 1.00 0.00 C ATOM 0 H LEU A 85 12.054 -0.200 -8.535 1.00 0.00 H new ATOM 0 HA LEU A 85 11.611 -2.788 -9.219 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.128 -1.487 -6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.373 -3.202 -6.778 1.00 0.00 H new ATOM 0 HG LEU A 85 13.393 -0.987 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.633 -2.159 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.035 -1.610 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.297 -3.323 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 85 14.983 -2.778 -7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.661 -3.967 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.641 -2.681 -8.957 1.00 0.00 H new ATOM 1277 N PRO A 86 9.266 -3.663 -8.693 1.00 0.00 N ATOM 1278 CA PRO A 86 7.871 -4.111 -8.727 1.00 0.00 C ATOM 1279 C PRO A 86 7.167 -3.918 -7.388 1.00 0.00 C ATOM 1280 O PRO A 86 7.483 -4.572 -6.393 1.00 0.00 O ATOM 1281 CB PRO A 86 7.985 -5.600 -9.061 1.00 0.00 C ATOM 1282 CG PRO A 86 9.338 -5.995 -8.579 1.00 0.00 C ATOM 1283 CD PRO A 86 10.214 -4.787 -8.770 1.00 0.00 C ATOM 0 HA PRO A 86 7.278 -3.543 -9.444 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.204 -6.177 -8.566 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.880 -5.775 -10.132 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.307 -6.293 -7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.720 -6.847 -9.142 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.980 -4.720 -7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.730 -4.812 -9.730 1.00 0.00 H new ATOM 1291 N PRO A 87 6.191 -2.999 -7.358 1.00 0.00 N ATOM 1292 CA PRO A 87 5.421 -2.700 -6.147 1.00 0.00 C ATOM 1293 C PRO A 87 4.492 -3.843 -5.753 1.00 0.00 C ATOM 1294 O PRO A 87 4.385 -4.843 -6.464 1.00 0.00 O ATOM 1295 CB PRO A 87 4.611 -1.462 -6.538 1.00 0.00 C ATOM 1296 CG PRO A 87 4.491 -1.541 -8.021 1.00 0.00 C ATOM 1297 CD PRO A 87 5.762 -2.182 -8.506 1.00 0.00 C ATOM 0 HA PRO A 87 6.066 -2.548 -5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.631 -1.463 -6.061 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.115 -0.546 -6.230 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.621 -2.130 -8.311 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.364 -0.550 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.591 -2.793 -9.393 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.512 -1.437 -8.772 1.00 0.00 H new ATOM 1305 N VAL A 88 3.820 -3.689 -4.617 1.00 0.00 N ATOM 1306 CA VAL A 88 2.898 -4.708 -4.129 1.00 0.00 C ATOM 1307 C VAL A 88 1.483 -4.154 -4.006 1.00 0.00 C ATOM 1308 O VAL A 88 1.245 -3.186 -3.284 1.00 0.00 O ATOM 1309 CB VAL A 88 3.343 -5.260 -2.762 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.502 -6.231 -2.929 1.00 0.00 C ATOM 1311 CG2 VAL A 88 3.722 -4.122 -1.826 1.00 0.00 C ATOM 0 H VAL A 88 3.897 -2.868 -4.017 1.00 0.00 H new ATOM 0 HA VAL A 88 2.906 -5.518 -4.858 1.00 0.00 H new ATOM 0 HB VAL A 88 2.507 -5.802 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.802 -6.610 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.192 -7.063 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.344 -5.717 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.034 -4.530 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.542 -3.551 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.862 -3.469 -1.681 1.00 0.00 H new ATOM 1321 N SER A 89 0.546 -4.777 -4.714 1.00 0.00 N ATOM 1322 CA SER A 89 -0.846 -4.344 -4.686 1.00 0.00 C ATOM 1323 C SER A 89 -1.663 -5.205 -3.727 1.00 0.00 C ATOM 1324 O SER A 89 -1.605 -6.434 -3.773 1.00 0.00 O ATOM 1325 CB SER A 89 -1.451 -4.411 -6.090 1.00 0.00 C ATOM 1326 OG SER A 89 -1.551 -5.751 -6.539 1.00 0.00 O ATOM 0 H SER A 89 0.726 -5.582 -5.313 1.00 0.00 H new ATOM 0 HA SER A 89 -0.873 -3.313 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.439 -3.951 -6.086 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.835 -3.837 -6.782 1.00 0.00 H new ATOM 0 HG SER A 89 -1.499 -6.358 -5.771 1.00 0.00 H new ATOM 1332 N THR A 90 -2.425 -4.549 -2.857 1.00 0.00 N ATOM 1333 CA THR A 90 -3.254 -5.252 -1.885 1.00 0.00 C ATOM 1334 C THR A 90 -4.614 -4.581 -1.735 1.00 0.00 C ATOM 1335 O THR A 90 -4.700 -3.369 -1.534 1.00 0.00 O ATOM 1336 CB THR A 90 -2.570 -5.315 -0.506 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.196 -6.315 0.305 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.641 -3.968 0.196 1.00 0.00 C ATOM 0 H THR A 90 -2.485 -3.532 -2.806 1.00 0.00 H new ATOM 0 HA THR A 90 -3.392 -6.266 -2.261 1.00 0.00 H new ATOM 0 HB THR A 90 -1.522 -5.573 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.755 -6.350 1.179 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.152 -4.038 1.167 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.138 -3.215 -0.410 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.684 -3.685 0.335 1.00 0.00 H new ATOM 1346 N SER A 91 -5.675 -5.375 -1.832 1.00 0.00 N ATOM 1347 CA SER A 91 -7.032 -4.857 -1.710 1.00 0.00 C ATOM 1348 C SER A 91 -7.519 -4.945 -0.267 1.00 0.00 C ATOM 1349 O SER A 91 -7.493 -6.012 0.346 1.00 0.00 O ATOM 1350 CB SER A 91 -7.981 -5.630 -2.628 1.00 0.00 C ATOM 1351 OG SER A 91 -7.798 -7.029 -2.490 1.00 0.00 O ATOM 0 H SER A 91 -5.621 -6.380 -1.995 1.00 0.00 H new ATOM 0 HA SER A 91 -7.022 -3.809 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.013 -5.370 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.808 -5.338 -3.664 1.00 0.00 H new ATOM 0 HG SER A 91 -7.678 -7.251 -1.543 1.00 0.00 H new ATOM 1357 N PHE A 92 -7.964 -3.813 0.270 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.457 -3.761 1.642 1.00 0.00 C ATOM 1359 C PHE A 92 -9.811 -3.060 1.706 1.00 0.00 C ATOM 1360 O PHE A 92 -10.036 -2.053 1.035 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.452 -3.036 2.539 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.297 -1.578 2.211 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -6.503 -1.174 1.150 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -7.946 -0.612 2.964 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -6.359 0.167 0.845 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -7.806 0.729 2.663 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.011 1.119 1.603 1.00 0.00 C ATOM 0 H PHE A 92 -7.993 -2.921 -0.223 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.580 -4.784 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.767 -3.135 3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.482 -3.525 2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.991 -1.915 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.568 -0.911 3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.737 0.469 0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.318 1.472 3.256 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.900 2.167 1.367 1.00 0.00 H new ATOM 1377 N THR A 93 -10.713 -3.602 2.520 1.00 0.00 N ATOM 1378 CA THR A 93 -12.045 -3.033 2.672 1.00 0.00 C ATOM 1379 C THR A 93 -12.166 -2.258 3.979 1.00 0.00 C ATOM 1380 O THR A 93 -11.724 -2.722 5.031 1.00 0.00 O ATOM 1381 CB THR A 93 -13.131 -4.124 2.633 1.00 0.00 C ATOM 1382 OG1 THR A 93 -12.942 -4.963 1.487 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.520 -3.505 2.591 1.00 0.00 C ATOM 0 H THR A 93 -10.544 -4.435 3.084 1.00 0.00 H new ATOM 0 HA THR A 93 -12.195 -2.353 1.834 1.00 0.00 H new ATOM 0 HB THR A 93 -13.045 -4.723 3.540 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.636 -5.655 1.470 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.270 -4.296 2.564 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.672 -2.891 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.615 -2.884 1.700 1.00 0.00 H new ATOM 1391 N THR A 94 -12.769 -1.076 3.908 1.00 0.00 N ATOM 1392 CA THR A 94 -12.948 -0.236 5.086 1.00 0.00 C ATOM 1393 C THR A 94 -14.206 -0.627 5.854 1.00 0.00 C ATOM 1394 O THR A 94 -15.130 -1.214 5.292 1.00 0.00 O ATOM 1395 CB THR A 94 -13.033 1.254 4.707 1.00 0.00 C ATOM 1396 OG1 THR A 94 -13.978 1.436 3.646 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.673 1.782 4.277 1.00 0.00 C ATOM 0 H THR A 94 -13.142 -0.678 3.046 1.00 0.00 H new ATOM 0 HA THR A 94 -12.075 -0.392 5.720 1.00 0.00 H new ATOM 0 HB THR A 94 -13.360 1.811 5.585 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.344 2.344 3.686 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.759 2.836 4.014 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.963 1.669 5.096 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.321 1.220 3.412 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.235 -0.296 7.141 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.385 -0.620 7.964 1.00 0.00 C ATOM 1407 C GLY A 95 -16.609 0.195 7.597 1.00 0.00 C ATOM 1408 O GLY A 95 -16.614 0.899 6.588 1.00 0.00 O ATOM 0 H GLY A 95 -13.483 0.191 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.614 -1.681 7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.138 -0.448 9.012 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.651 0.097 8.416 1.00 0.00 N ATOM 1413 CA GLY A 96 -18.873 0.835 8.154 1.00 0.00 C ATOM 1414 C GLY A 96 -19.125 1.923 9.179 1.00 0.00 C ATOM 1415 O GLY A 96 -18.684 1.822 10.324 1.00 0.00 O ATOM 0 H GLY A 96 -17.671 -0.480 9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.818 1.281 7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.716 0.144 8.147 1.00 0.00 H new ATOM 1419 N LEU A 97 -19.835 2.968 8.767 1.00 0.00 N ATOM 1420 CA LEU A 97 -20.144 4.081 9.658 1.00 0.00 C ATOM 1421 C LEU A 97 -21.436 3.822 10.426 1.00 0.00 C ATOM 1422 O LEU A 97 -22.524 3.830 9.851 1.00 0.00 O ATOM 1423 CB LEU A 97 -20.264 5.380 8.859 1.00 0.00 C ATOM 1424 CG LEU A 97 -18.952 5.986 8.361 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -19.221 7.056 7.314 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.156 6.563 9.523 1.00 0.00 C ATOM 0 H LEU A 97 -20.207 3.068 7.823 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.330 4.176 10.376 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -20.905 5.195 7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -20.770 6.119 9.480 1.00 0.00 H new ATOM 0 HG LEU A 97 -18.361 5.195 7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -18.275 7.476 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -19.749 6.614 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -19.832 7.846 7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -17.225 6.990 9.150 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -18.741 7.341 10.014 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.931 5.772 10.238 1.00 0.00 H new