USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 616 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 72 THR OG1 : rot -160:sc= 0.0151 USER MOD Set 1.2: A 73 GLN : amide:sc= 0.287 K(o=1.2,f=-7.5!) USER MOD Set 1.3: A 74 ASN : amide:sc= 0.868 K(o=1.2,f=-0.5) USER MOD Single : A 12 LYS NZ :NH3+ -138:sc= 0.979 (180deg=-4.41!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 148:sc= -0.0778 (180deg=-1.24) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.73 X(o=-1.7,f=-1.9!) USER MOD Single : A 55 GLN : amide:sc= -0.763 K(o=-0.76,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0404 X(o=-0.04,f=-0.072) USER MOD Single : A 59 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.32) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 63:sc= 1.24 USER MOD Single : A 82 ASN : amide:sc= -0.846 K(o=-0.85,f=-0.0016) USER MOD Single : A 83 THR OG1 : rot -152:sc= -0.0215 USER MOD Single : A 84 LYS NZ :NH3+ 158:sc= 1.04 (180deg=0.715) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 8.028 -11.307 -2.357 1.00 0.00 N ATOM 45 CA GLU A 4 7.167 -11.634 -3.450 1.00 0.00 C ATOM 46 C GLU A 4 6.121 -10.564 -3.602 1.00 0.00 C ATOM 47 O GLU A 4 5.318 -10.373 -2.708 1.00 0.00 O ATOM 48 CB GLU A 4 6.504 -12.963 -3.186 1.00 0.00 C ATOM 49 CG GLU A 4 5.671 -13.459 -4.349 1.00 0.00 C ATOM 50 CD GLU A 4 5.191 -14.863 -4.164 1.00 0.00 C ATOM 51 OE1 GLU A 4 5.996 -15.810 -4.324 1.00 0.00 O ATOM 52 OE2 GLU A 4 3.998 -15.063 -3.893 1.00 0.00 O ATOM 0 HA GLU A 4 7.750 -11.699 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.270 -13.703 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.869 -12.875 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.812 -12.801 -4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.261 -13.400 -5.263 1.00 0.00 H new ATOM 59 N LEU A 5 6.157 -9.858 -4.707 1.00 0.00 N ATOM 60 CA LEU A 5 5.208 -8.804 -4.988 1.00 0.00 C ATOM 61 C LEU A 5 3.987 -9.406 -5.660 1.00 0.00 C ATOM 62 O LEU A 5 4.119 -10.148 -6.648 1.00 0.00 O ATOM 63 CB LEU A 5 5.823 -7.725 -5.907 1.00 0.00 C ATOM 64 CG LEU A 5 7.112 -7.010 -5.431 1.00 0.00 C ATOM 65 CD1 LEU A 5 7.024 -6.558 -3.997 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.373 -7.829 -5.686 1.00 0.00 C ATOM 0 H LEU A 5 6.850 -9.999 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 5 4.929 -8.328 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.035 -8.189 -6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.064 -6.963 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 5 7.194 -6.113 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.953 -6.063 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.193 -5.861 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.862 -7.422 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.243 -7.277 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.304 -8.778 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.474 -8.018 -6.755 1.00 0.00 H new ATOM 78 N PHE A 6 2.823 -9.110 -5.145 1.00 0.00 N ATOM 79 CA PHE A 6 1.596 -9.651 -5.674 1.00 0.00 C ATOM 80 C PHE A 6 0.461 -8.624 -5.694 1.00 0.00 C ATOM 81 O PHE A 6 0.369 -7.765 -4.823 1.00 0.00 O ATOM 82 CB PHE A 6 1.174 -10.922 -4.918 1.00 0.00 C ATOM 83 CG PHE A 6 1.235 -10.838 -3.430 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.204 -10.263 -2.713 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.324 -11.329 -2.752 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.263 -10.179 -1.338 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.397 -11.250 -1.388 1.00 0.00 C ATOM 88 CZ PHE A 6 1.366 -10.674 -0.673 1.00 0.00 C ATOM 0 H PHE A 6 2.697 -8.487 -4.347 1.00 0.00 H new ATOM 0 HA PHE A 6 1.798 -9.920 -6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.154 -11.174 -5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.810 -11.745 -5.244 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.658 -9.875 -3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.134 -11.784 -3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.548 -9.729 -0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.262 -11.638 -0.870 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.423 -10.611 0.404 1.00 0.00 H new ATOM 98 N PRO A 7 -0.383 -8.682 -6.716 1.00 0.00 N ATOM 99 CA PRO A 7 -1.536 -7.798 -6.848 1.00 0.00 C ATOM 100 C PRO A 7 -2.756 -8.270 -6.058 1.00 0.00 C ATOM 101 O PRO A 7 -3.204 -9.414 -6.184 1.00 0.00 O ATOM 102 CB PRO A 7 -1.848 -7.867 -8.322 1.00 0.00 C ATOM 103 CG PRO A 7 -1.416 -9.240 -8.738 1.00 0.00 C ATOM 104 CD PRO A 7 -0.265 -9.609 -7.856 1.00 0.00 C ATOM 0 HA PRO A 7 -1.313 -6.802 -6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.911 -7.712 -8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.311 -7.098 -8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.233 -9.953 -8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.120 -9.252 -9.787 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.325 -10.649 -7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.688 -9.490 -8.371 1.00 0.00 H new ATOM 112 N VAL A 8 -3.270 -7.411 -5.245 1.00 0.00 N ATOM 113 CA VAL A 8 -4.466 -7.687 -4.509 1.00 0.00 C ATOM 114 C VAL A 8 -5.522 -6.694 -4.919 1.00 0.00 C ATOM 115 O VAL A 8 -5.475 -5.543 -4.499 1.00 0.00 O ATOM 116 CB VAL A 8 -4.251 -7.569 -2.975 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.492 -7.969 -2.195 1.00 0.00 C ATOM 118 CG2 VAL A 8 -3.048 -8.361 -2.533 1.00 0.00 C ATOM 0 H VAL A 8 -2.872 -6.489 -5.068 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.767 -8.711 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.061 -6.518 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.298 -7.872 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.322 -7.319 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.748 -9.003 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.922 -8.260 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.192 -9.412 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.159 -7.985 -3.039 1.00 0.00 H new ATOM 128 N GLU A 9 -6.419 -7.091 -5.783 1.00 0.00 N ATOM 129 CA GLU A 9 -7.484 -6.208 -6.151 1.00 0.00 C ATOM 130 C GLU A 9 -8.596 -6.342 -5.139 1.00 0.00 C ATOM 131 O GLU A 9 -9.263 -7.380 -5.052 1.00 0.00 O ATOM 132 CB GLU A 9 -7.999 -6.463 -7.557 1.00 0.00 C ATOM 133 CG GLU A 9 -8.986 -5.403 -8.011 1.00 0.00 C ATOM 134 CD GLU A 9 -9.550 -5.663 -9.367 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.848 -5.429 -10.369 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.713 -6.089 -9.466 1.00 0.00 O ATOM 0 H GLU A 9 -6.432 -8.005 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.097 -5.189 -6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.158 -6.493 -8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.478 -7.442 -7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.802 -5.344 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.491 -4.432 -8.011 1.00 0.00 H new ATOM 143 N LEU A 10 -8.765 -5.332 -4.360 1.00 0.00 N ATOM 144 CA LEU A 10 -9.740 -5.328 -3.325 1.00 0.00 C ATOM 145 C LEU A 10 -10.931 -4.557 -3.856 1.00 0.00 C ATOM 146 O LEU A 10 -10.750 -3.636 -4.640 1.00 0.00 O ATOM 147 CB LEU A 10 -9.156 -4.588 -2.108 1.00 0.00 C ATOM 148 CG LEU A 10 -9.495 -5.111 -0.698 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.983 -5.278 -0.485 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.749 -6.400 -0.408 1.00 0.00 C ATOM 0 H LEU A 10 -8.221 -4.471 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.025 -6.338 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.071 -4.588 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.482 -3.549 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.163 -4.354 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.167 -5.649 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.479 -4.316 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.377 -5.990 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.004 -6.751 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.031 -7.156 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.676 -6.220 -0.467 1.00 0.00 H new ATOM 162 N GLU A 11 -12.118 -4.949 -3.483 1.00 0.00 N ATOM 163 CA GLU A 11 -13.286 -4.191 -3.830 1.00 0.00 C ATOM 164 C GLU A 11 -13.847 -3.580 -2.556 1.00 0.00 C ATOM 165 O GLU A 11 -14.609 -4.213 -1.821 1.00 0.00 O ATOM 166 CB GLU A 11 -14.340 -5.039 -4.538 1.00 0.00 C ATOM 167 CG GLU A 11 -15.555 -4.244 -4.986 1.00 0.00 C ATOM 168 CD GLU A 11 -16.650 -5.116 -5.516 1.00 0.00 C ATOM 169 OE1 GLU A 11 -16.658 -5.421 -6.723 1.00 0.00 O ATOM 170 OE2 GLU A 11 -17.536 -5.504 -4.734 1.00 0.00 O ATOM 0 H GLU A 11 -12.301 -5.791 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.005 -3.410 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.887 -5.517 -5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.664 -5.836 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.934 -3.662 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.256 -3.534 -5.757 1.00 0.00 H new ATOM 177 N LYS A 12 -13.388 -2.399 -2.256 1.00 0.00 N ATOM 178 CA LYS A 12 -13.789 -1.696 -1.085 1.00 0.00 C ATOM 179 C LYS A 12 -15.115 -0.990 -1.207 1.00 0.00 C ATOM 180 O LYS A 12 -15.832 -1.086 -2.210 1.00 0.00 O ATOM 181 CB LYS A 12 -12.705 -0.743 -0.559 1.00 0.00 C ATOM 182 CG LYS A 12 -11.479 -1.434 -0.045 1.00 0.00 C ATOM 183 CD LYS A 12 -10.837 -0.726 1.161 1.00 0.00 C ATOM 184 CE LYS A 12 -11.687 -0.668 2.477 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.729 0.402 2.468 1.00 0.00 N ATOM 0 H LYS A 12 -12.714 -1.895 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.931 -2.482 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.416 -0.062 -1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.128 -0.135 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.738 -2.454 0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.746 -1.503 -0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.894 -1.225 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.595 0.295 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.170 -1.633 2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.020 -0.507 3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.750 0.874 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.505 1.099 1.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.659 -0.021 2.274 1.00 0.00 H new ATOM 199 N ASP A 13 -15.408 -0.308 -0.148 1.00 0.00 N ATOM 200 CA ASP A 13 -16.634 0.377 0.118 1.00 0.00 C ATOM 201 C ASP A 13 -16.768 1.623 -0.718 1.00 0.00 C ATOM 202 O ASP A 13 -15.820 2.046 -1.380 1.00 0.00 O ATOM 203 CB ASP A 13 -16.640 0.753 1.604 1.00 0.00 C ATOM 204 CG ASP A 13 -16.284 -0.426 2.490 1.00 0.00 C ATOM 205 OD1 ASP A 13 -15.060 -0.783 2.560 1.00 0.00 O ATOM 206 OD2 ASP A 13 -17.191 -1.031 3.082 1.00 0.00 O ATOM 0 H ASP A 13 -14.741 -0.207 0.617 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.472 -0.273 -0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.931 1.563 1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.626 1.129 1.879 1.00 0.00 H new ATOM 211 N GLU A 14 -17.929 2.231 -0.637 1.00 0.00 N ATOM 212 CA GLU A 14 -18.263 3.444 -1.375 1.00 0.00 C ATOM 213 C GLU A 14 -17.353 4.616 -1.012 1.00 0.00 C ATOM 214 O GLU A 14 -17.140 5.511 -1.821 1.00 0.00 O ATOM 215 CB GLU A 14 -19.729 3.803 -1.169 1.00 0.00 C ATOM 216 CG GLU A 14 -20.143 3.842 0.291 1.00 0.00 C ATOM 217 CD GLU A 14 -21.555 4.287 0.480 1.00 0.00 C ATOM 218 OE1 GLU A 14 -22.483 3.591 0.017 1.00 0.00 O ATOM 219 OE2 GLU A 14 -21.764 5.335 1.121 1.00 0.00 O ATOM 0 H GLU A 14 -18.689 1.895 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.097 3.238 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.923 4.776 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.350 3.078 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.018 2.850 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.479 4.514 0.834 1.00 0.00 H new ATOM 226 N ASP A 15 -16.819 4.596 0.187 1.00 0.00 N ATOM 227 CA ASP A 15 -15.875 5.620 0.621 1.00 0.00 C ATOM 228 C ASP A 15 -14.585 5.500 -0.168 1.00 0.00 C ATOM 229 O ASP A 15 -14.071 6.479 -0.716 1.00 0.00 O ATOM 230 CB ASP A 15 -15.578 5.473 2.111 1.00 0.00 C ATOM 231 CG ASP A 15 -14.450 6.371 2.571 1.00 0.00 C ATOM 232 OD1 ASP A 15 -14.679 7.553 2.822 1.00 0.00 O ATOM 233 OD2 ASP A 15 -13.302 5.892 2.683 1.00 0.00 O ATOM 0 H ASP A 15 -17.018 3.882 0.888 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.319 6.600 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.477 5.704 2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.322 4.435 2.326 1.00 0.00 H new ATOM 238 N GLY A 16 -14.130 4.285 -0.288 1.00 0.00 N ATOM 239 CA GLY A 16 -12.886 4.013 -0.929 1.00 0.00 C ATOM 240 C GLY A 16 -11.974 3.268 -0.016 1.00 0.00 C ATOM 241 O GLY A 16 -12.297 2.146 0.398 1.00 0.00 O ATOM 0 H GLY A 16 -14.616 3.458 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.058 3.431 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.417 4.948 -1.236 1.00 0.00 H new ATOM 245 N LEU A 17 -10.890 3.874 0.371 1.00 0.00 N ATOM 246 CA LEU A 17 -9.903 3.171 1.146 1.00 0.00 C ATOM 247 C LEU A 17 -9.887 3.636 2.580 1.00 0.00 C ATOM 248 O LEU A 17 -10.186 2.850 3.494 1.00 0.00 O ATOM 249 CB LEU A 17 -8.539 3.321 0.518 1.00 0.00 C ATOM 250 CG LEU A 17 -7.470 2.375 0.979 1.00 0.00 C ATOM 251 CD1 LEU A 17 -7.995 0.958 1.049 1.00 0.00 C ATOM 252 CD2 LEU A 17 -6.336 2.433 0.012 1.00 0.00 C ATOM 0 H LEU A 17 -10.665 4.847 0.166 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.172 2.115 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.648 3.209 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.192 4.338 0.699 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.142 2.668 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.201 0.292 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.828 0.913 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.335 0.647 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.549 1.750 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.687 2.143 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.942 3.449 -0.026 1.00 0.00 H new ATOM 264 N GLY A 18 -9.564 4.897 2.773 1.00 0.00 N ATOM 265 CA GLY A 18 -9.516 5.474 4.092 1.00 0.00 C ATOM 266 C GLY A 18 -8.445 4.869 4.965 1.00 0.00 C ATOM 267 O GLY A 18 -8.656 4.673 6.159 1.00 0.00 O ATOM 0 H GLY A 18 -9.329 5.545 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.343 6.547 4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.485 5.345 4.574 1.00 0.00 H new ATOM 271 N ILE A 19 -7.309 4.527 4.384 1.00 0.00 N ATOM 272 CA ILE A 19 -6.222 3.988 5.192 1.00 0.00 C ATOM 273 C ILE A 19 -5.166 5.051 5.441 1.00 0.00 C ATOM 274 O ILE A 19 -5.289 6.178 4.951 1.00 0.00 O ATOM 275 CB ILE A 19 -5.573 2.725 4.584 1.00 0.00 C ATOM 276 CG1 ILE A 19 -4.796 3.049 3.299 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.635 1.663 4.339 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.152 1.839 2.659 1.00 0.00 C ATOM 0 H ILE A 19 -7.114 4.608 3.386 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.668 3.684 6.139 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.849 2.334 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.474 3.512 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.023 3.783 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.170 0.775 3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.113 1.402 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.384 2.050 3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.621 2.144 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.449 1.388 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.921 1.112 2.399 1.00 0.00 H new ATOM 290 N SER A 20 -4.149 4.704 6.181 1.00 0.00 N ATOM 291 CA SER A 20 -3.106 5.629 6.532 1.00 0.00 C ATOM 292 C SER A 20 -1.760 4.993 6.247 1.00 0.00 C ATOM 293 O SER A 20 -1.604 3.771 6.359 1.00 0.00 O ATOM 294 CB SER A 20 -3.222 5.972 8.008 1.00 0.00 C ATOM 295 OG SER A 20 -4.543 6.350 8.334 1.00 0.00 O ATOM 0 H SER A 20 -4.020 3.766 6.560 1.00 0.00 H new ATOM 0 HA SER A 20 -3.200 6.542 5.944 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.926 5.113 8.610 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.536 6.783 8.252 1.00 0.00 H new ATOM 0 HG SER A 20 -4.596 6.565 9.289 1.00 0.00 H new ATOM 301 N ILE A 21 -0.806 5.798 5.903 1.00 0.00 N ATOM 302 CA ILE A 21 0.508 5.326 5.549 1.00 0.00 C ATOM 303 C ILE A 21 1.547 5.885 6.503 1.00 0.00 C ATOM 304 O ILE A 21 1.275 6.863 7.235 1.00 0.00 O ATOM 305 CB ILE A 21 0.843 5.730 4.087 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.776 7.259 3.884 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.071 5.012 3.100 1.00 0.00 C ATOM 308 CD1 ILE A 21 2.029 8.008 4.240 1.00 0.00 C ATOM 0 H ILE A 21 -0.911 6.812 5.857 1.00 0.00 H new ATOM 0 HA ILE A 21 0.521 4.239 5.625 1.00 0.00 H new ATOM 0 HB ILE A 21 1.870 5.420 3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.536 7.460 2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.046 7.653 4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.184 5.312 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.057 3.934 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.108 5.276 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.879 9.073 4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.264 7.845 5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.854 7.650 3.625 1.00 0.00 H new ATOM 320 N ILE A 22 2.706 5.288 6.525 1.00 0.00 N ATOM 321 CA ILE A 22 3.768 5.815 7.307 1.00 0.00 C ATOM 322 C ILE A 22 5.012 6.002 6.455 1.00 0.00 C ATOM 323 O ILE A 22 5.448 5.074 5.755 1.00 0.00 O ATOM 324 CB ILE A 22 4.055 5.017 8.610 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.176 5.686 9.424 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.373 3.558 8.322 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.435 5.048 10.766 1.00 0.00 C ATOM 0 H ILE A 22 2.930 4.438 6.008 1.00 0.00 H new ATOM 0 HA ILE A 22 3.440 6.793 7.658 1.00 0.00 H new ATOM 0 HB ILE A 22 3.146 5.031 9.211 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.096 5.663 8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.922 6.735 9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.567 3.036 9.259 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.526 3.094 7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.254 3.497 7.683 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.239 5.581 11.273 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.530 5.095 11.372 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.723 4.006 10.624 1.00 0.00 H new ATOM 339 N GLY A 23 5.534 7.207 6.466 1.00 0.00 N ATOM 340 CA GLY A 23 6.687 7.527 5.681 1.00 0.00 C ATOM 341 C GLY A 23 7.974 7.224 6.390 1.00 0.00 C ATOM 342 O GLY A 23 8.351 7.922 7.333 1.00 0.00 O ATOM 0 H GLY A 23 5.169 7.983 7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.652 6.967 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.661 8.585 5.420 1.00 0.00 H new ATOM 346 N MET A 24 8.622 6.170 5.977 1.00 0.00 N ATOM 347 CA MET A 24 9.920 5.790 6.507 1.00 0.00 C ATOM 348 C MET A 24 10.865 5.359 5.420 1.00 0.00 C ATOM 349 O MET A 24 10.508 5.388 4.249 1.00 0.00 O ATOM 350 CB MET A 24 9.844 4.796 7.692 1.00 0.00 C ATOM 351 CG MET A 24 8.830 3.681 7.581 1.00 0.00 C ATOM 352 SD MET A 24 9.017 2.441 8.889 1.00 0.00 S ATOM 353 CE MET A 24 8.766 3.430 10.359 1.00 0.00 C ATOM 0 H MET A 24 8.269 5.540 5.257 1.00 0.00 H new ATOM 0 HA MET A 24 10.345 6.693 6.944 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.829 4.348 7.823 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.628 5.363 8.598 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.826 4.102 7.625 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.931 3.198 6.609 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.298 2.821 11.132 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.727 3.797 10.719 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.120 4.276 10.123 1.00 0.00 H new ATOM 363 N GLY A 25 12.078 5.056 5.787 1.00 0.00 N ATOM 364 CA GLY A 25 13.066 4.626 4.827 1.00 0.00 C ATOM 365 C GLY A 25 13.639 3.298 5.216 1.00 0.00 C ATOM 366 O GLY A 25 14.569 3.222 6.022 1.00 0.00 O ATOM 0 H GLY A 25 12.412 5.098 6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.613 4.557 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.863 5.367 4.761 1.00 0.00 H new ATOM 488 N LEU A 35 10.961 2.033 -1.407 1.00 0.00 N ATOM 489 CA LEU A 35 10.094 2.870 -0.607 1.00 0.00 C ATOM 490 C LEU A 35 10.026 2.385 0.830 1.00 0.00 C ATOM 491 O LEU A 35 10.233 1.201 1.121 1.00 0.00 O ATOM 492 CB LEU A 35 8.663 2.845 -1.142 1.00 0.00 C ATOM 493 CG LEU A 35 7.910 1.516 -0.957 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.435 1.771 -0.867 1.00 0.00 C ATOM 495 CD2 LEU A 35 8.186 0.534 -2.087 1.00 0.00 C ATOM 0 HA LEU A 35 10.514 3.875 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.096 3.635 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.687 3.084 -2.205 1.00 0.00 H new ATOM 0 HG LEU A 35 8.271 1.068 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.910 0.825 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.229 2.421 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.092 2.253 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.632 -0.388 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.871 0.971 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.253 0.315 -2.126 1.00 0.00 H new ATOM 507 N GLY A 36 9.710 3.277 1.702 1.00 0.00 N ATOM 508 CA GLY A 36 9.503 2.921 3.053 1.00 0.00 C ATOM 509 C GLY A 36 8.157 3.364 3.495 1.00 0.00 C ATOM 510 O GLY A 36 7.967 3.755 4.625 1.00 0.00 O ATOM 0 H GLY A 36 9.589 4.269 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.597 1.842 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.269 3.378 3.679 1.00 0.00 H new ATOM 514 N ILE A 37 7.226 3.346 2.591 1.00 0.00 N ATOM 515 CA ILE A 37 5.883 3.689 2.929 1.00 0.00 C ATOM 516 C ILE A 37 5.187 2.431 3.356 1.00 0.00 C ATOM 517 O ILE A 37 4.942 1.548 2.548 1.00 0.00 O ATOM 518 CB ILE A 37 5.105 4.307 1.758 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.853 5.523 1.169 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.716 4.709 2.245 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.969 6.703 2.097 1.00 0.00 C ATOM 0 H ILE A 37 7.374 3.097 1.613 1.00 0.00 H new ATOM 0 HA ILE A 37 5.915 4.438 3.720 1.00 0.00 H new ATOM 0 HB ILE A 37 5.013 3.569 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.855 5.209 0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.341 5.842 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.155 5.149 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.190 3.828 2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.810 5.438 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.509 7.507 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.973 7.050 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.510 6.407 2.996 1.00 0.00 H new ATOM 533 N PHE A 38 4.939 2.324 4.606 1.00 0.00 N ATOM 534 CA PHE A 38 4.268 1.171 5.142 1.00 0.00 C ATOM 535 C PHE A 38 2.856 1.532 5.454 1.00 0.00 C ATOM 536 O PHE A 38 2.492 2.723 5.427 1.00 0.00 O ATOM 537 CB PHE A 38 4.969 0.682 6.406 1.00 0.00 C ATOM 538 CG PHE A 38 6.348 0.156 6.187 1.00 0.00 C ATOM 539 CD1 PHE A 38 7.413 1.013 6.157 1.00 0.00 C ATOM 540 CD2 PHE A 38 6.573 -1.198 6.024 1.00 0.00 C ATOM 541 CE1 PHE A 38 8.689 0.559 5.970 1.00 0.00 C ATOM 542 CE2 PHE A 38 7.851 -1.678 5.838 1.00 0.00 C ATOM 543 CZ PHE A 38 8.913 -0.798 5.811 1.00 0.00 C ATOM 0 H PHE A 38 5.190 3.028 5.300 1.00 0.00 H new ATOM 0 HA PHE A 38 4.292 0.369 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.017 1.504 7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.363 -0.101 6.862 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.242 2.072 6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.740 -1.885 6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.516 1.253 5.946 1.00 0.00 H new ATOM 0 HE2 PHE A 38 8.020 -2.737 5.714 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.918 -1.167 5.666 1.00 0.00 H new ATOM 553 N VAL A 39 2.055 0.551 5.731 1.00 0.00 N ATOM 554 CA VAL A 39 0.707 0.798 6.125 1.00 0.00 C ATOM 555 C VAL A 39 0.732 1.206 7.583 1.00 0.00 C ATOM 556 O VAL A 39 1.273 0.495 8.422 1.00 0.00 O ATOM 557 CB VAL A 39 -0.186 -0.452 5.929 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.639 -0.138 6.252 1.00 0.00 C ATOM 559 CG2 VAL A 39 -0.054 -0.973 4.506 1.00 0.00 C ATOM 0 H VAL A 39 2.315 -0.434 5.691 1.00 0.00 H new ATOM 0 HA VAL A 39 0.280 1.586 5.504 1.00 0.00 H new ATOM 0 HB VAL A 39 0.151 -1.227 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.245 -1.032 6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.719 0.190 7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.995 0.653 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.686 -1.852 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.365 -0.199 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.984 -1.242 4.312 1.00 0.00 H new ATOM 569 N LYS A 40 0.230 2.371 7.867 1.00 0.00 N ATOM 570 CA LYS A 40 0.193 2.854 9.223 1.00 0.00 C ATOM 571 C LYS A 40 -1.061 2.351 9.871 1.00 0.00 C ATOM 572 O LYS A 40 -1.031 1.774 10.955 1.00 0.00 O ATOM 573 CB LYS A 40 0.250 4.389 9.262 1.00 0.00 C ATOM 574 CG LYS A 40 0.081 5.082 10.642 1.00 0.00 C ATOM 575 CD LYS A 40 1.236 4.870 11.648 1.00 0.00 C ATOM 576 CE LYS A 40 1.280 3.471 12.249 1.00 0.00 C ATOM 577 NZ LYS A 40 2.248 3.376 13.360 1.00 0.00 N ATOM 0 H LYS A 40 -0.163 3.011 7.176 1.00 0.00 H new ATOM 0 HA LYS A 40 1.063 2.486 9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.208 4.700 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.525 4.771 8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.040 6.153 10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.842 4.723 11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.183 5.070 11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.142 5.598 12.453 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.288 3.200 12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.546 2.752 11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.246 2.408 13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.200 3.610 13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.981 4.043 14.111 1.00 0.00 H new ATOM 591 N THR A 41 -2.149 2.536 9.188 1.00 0.00 N ATOM 592 CA THR A 41 -3.411 2.117 9.677 1.00 0.00 C ATOM 593 C THR A 41 -4.227 1.715 8.483 1.00 0.00 C ATOM 594 O THR A 41 -3.959 2.162 7.360 1.00 0.00 O ATOM 595 CB THR A 41 -4.168 3.267 10.349 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.258 4.233 10.918 1.00 0.00 O ATOM 597 CG2 THR A 41 -5.069 2.739 11.453 1.00 0.00 C ATOM 0 H THR A 41 -2.178 2.985 8.272 1.00 0.00 H new ATOM 0 HA THR A 41 -3.260 1.315 10.400 1.00 0.00 H new ATOM 0 HB THR A 41 -4.768 3.752 9.579 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.769 4.956 11.338 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.599 3.570 11.919 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.791 2.040 11.030 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.465 2.228 12.203 1.00 0.00 H new ATOM 605 N VAL A 42 -5.189 0.920 8.708 1.00 0.00 N ATOM 606 CA VAL A 42 -6.093 0.514 7.711 1.00 0.00 C ATOM 607 C VAL A 42 -7.496 0.640 8.303 1.00 0.00 C ATOM 608 O VAL A 42 -7.644 0.566 9.537 1.00 0.00 O ATOM 609 CB VAL A 42 -5.742 -0.912 7.147 1.00 0.00 C ATOM 610 CG1 VAL A 42 -5.518 -1.916 8.242 1.00 0.00 C ATOM 611 CG2 VAL A 42 -6.791 -1.413 6.179 1.00 0.00 C ATOM 0 H VAL A 42 -5.379 0.517 9.625 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.031 1.153 6.830 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.805 -0.799 6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.279 -2.885 7.804 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.691 -1.589 8.872 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.421 -2.004 8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.508 -2.401 5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.754 -1.476 6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.868 -0.724 5.338 1.00 0.00 H new ATOM 621 N THR A 43 -8.485 0.889 7.458 1.00 0.00 N ATOM 622 CA THR A 43 -9.838 1.168 7.880 1.00 0.00 C ATOM 623 C THR A 43 -10.385 0.088 8.805 1.00 0.00 C ATOM 624 O THR A 43 -10.190 -1.119 8.583 1.00 0.00 O ATOM 625 CB THR A 43 -10.784 1.375 6.678 1.00 0.00 C ATOM 626 OG1 THR A 43 -12.105 1.657 7.131 1.00 0.00 O ATOM 627 CG2 THR A 43 -10.831 0.133 5.855 1.00 0.00 C ATOM 0 H THR A 43 -8.362 0.902 6.446 1.00 0.00 H new ATOM 0 HA THR A 43 -9.795 2.100 8.443 1.00 0.00 H new ATOM 0 HB THR A 43 -10.409 2.210 6.087 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.695 1.788 6.359 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.500 0.283 5.008 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.830 -0.100 5.491 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.197 -0.693 6.464 1.00 0.00 H new ATOM 664 N ALA A 47 -13.926 -3.004 3.712 1.00 0.00 N ATOM 665 CA ALA A 47 -13.598 -4.239 2.971 1.00 0.00 C ATOM 666 C ALA A 47 -12.109 -4.665 3.020 1.00 0.00 C ATOM 667 O ALA A 47 -11.776 -5.748 2.589 1.00 0.00 O ATOM 668 CB ALA A 47 -14.045 -4.129 1.546 1.00 0.00 C ATOM 0 HA ALA A 47 -14.144 -5.026 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.796 -5.047 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.123 -3.973 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.542 -3.287 1.071 1.00 0.00 H new ATOM 674 N ALA A 48 -11.242 -3.823 3.565 1.00 0.00 N ATOM 675 CA ALA A 48 -9.827 -4.125 3.658 1.00 0.00 C ATOM 676 C ALA A 48 -9.587 -5.083 4.815 1.00 0.00 C ATOM 677 O ALA A 48 -9.169 -6.218 4.609 1.00 0.00 O ATOM 678 CB ALA A 48 -9.021 -2.853 3.835 1.00 0.00 C ATOM 0 H ALA A 48 -11.502 -2.916 3.953 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.501 -4.600 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.962 -3.100 3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.186 -2.196 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.335 -2.347 4.748 1.00 0.00 H new ATOM 684 N GLN A 49 -9.886 -4.639 6.038 1.00 0.00 N ATOM 685 CA GLN A 49 -9.757 -5.509 7.192 1.00 0.00 C ATOM 686 C GLN A 49 -10.819 -6.603 7.208 1.00 0.00 C ATOM 687 O GLN A 49 -10.630 -7.643 7.827 1.00 0.00 O ATOM 688 CB GLN A 49 -9.710 -4.727 8.500 1.00 0.00 C ATOM 689 CG GLN A 49 -8.403 -3.982 8.693 1.00 0.00 C ATOM 690 CD GLN A 49 -8.251 -3.356 10.077 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.142 -3.261 10.610 1.00 0.00 O ATOM 692 NE2 GLN A 49 -9.316 -2.867 10.632 1.00 0.00 N ATOM 0 H GLN A 49 -10.214 -3.696 6.246 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.795 -6.013 7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.535 -4.015 8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.858 -5.413 9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.575 -4.670 8.522 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.327 -3.198 7.939 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.220 -2.960 10.170 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.249 -2.390 11.531 1.00 0.00 H new ATOM 701 N ARG A 50 -11.930 -6.374 6.499 1.00 0.00 N ATOM 702 CA ARG A 50 -12.942 -7.415 6.346 1.00 0.00 C ATOM 703 C ARG A 50 -12.376 -8.531 5.479 1.00 0.00 C ATOM 704 O ARG A 50 -12.696 -9.702 5.674 1.00 0.00 O ATOM 705 CB ARG A 50 -14.204 -6.881 5.680 1.00 0.00 C ATOM 706 CG ARG A 50 -14.913 -5.794 6.450 1.00 0.00 C ATOM 707 CD ARG A 50 -15.611 -6.283 7.702 1.00 0.00 C ATOM 708 NE ARG A 50 -16.326 -5.177 8.354 1.00 0.00 N ATOM 709 CZ ARG A 50 -17.071 -5.261 9.460 1.00 0.00 C ATOM 710 NH1 ARG A 50 -17.236 -6.422 10.075 1.00 0.00 N ATOM 711 NH2 ARG A 50 -17.669 -4.170 9.935 1.00 0.00 N ATOM 0 H ARG A 50 -12.146 -5.493 6.032 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.203 -7.779 7.340 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.943 -6.497 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.896 -7.709 5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.190 -5.027 6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.647 -5.320 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.312 -7.078 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.881 -6.709 8.390 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.246 -4.257 7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.792 -7.263 9.705 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.807 -6.476 10.919 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.557 -3.277 9.455 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.239 -4.227 10.779 1.00 0.00 H new ATOM 725 N ASP A 51 -11.528 -8.145 4.514 1.00 0.00 N ATOM 726 CA ASP A 51 -10.904 -9.102 3.603 1.00 0.00 C ATOM 727 C ASP A 51 -9.890 -9.922 4.358 1.00 0.00 C ATOM 728 O ASP A 51 -10.048 -11.131 4.527 1.00 0.00 O ATOM 729 CB ASP A 51 -10.211 -8.398 2.438 1.00 0.00 C ATOM 730 CG ASP A 51 -9.767 -9.375 1.387 1.00 0.00 C ATOM 731 OD1 ASP A 51 -8.646 -9.901 1.480 1.00 0.00 O ATOM 732 OD2 ASP A 51 -10.555 -9.643 0.451 1.00 0.00 O ATOM 0 H ASP A 51 -11.262 -7.174 4.348 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.688 -9.742 3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.891 -7.670 1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.348 -7.844 2.808 1.00 0.00 H new ATOM 737 N GLY A 52 -8.856 -9.262 4.826 1.00 0.00 N ATOM 738 CA GLY A 52 -7.877 -9.923 5.644 1.00 0.00 C ATOM 739 C GLY A 52 -6.595 -10.303 4.932 1.00 0.00 C ATOM 740 O GLY A 52 -5.641 -10.707 5.591 1.00 0.00 O ATOM 0 H GLY A 52 -8.675 -8.273 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.629 -9.273 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.324 -10.826 6.061 1.00 0.00 H new ATOM 744 N ARG A 53 -6.551 -10.212 3.603 1.00 0.00 N ATOM 745 CA ARG A 53 -5.305 -10.543 2.904 1.00 0.00 C ATOM 746 C ARG A 53 -4.332 -9.376 3.071 1.00 0.00 C ATOM 747 O ARG A 53 -3.112 -9.562 3.177 1.00 0.00 O ATOM 748 CB ARG A 53 -5.560 -10.860 1.406 1.00 0.00 C ATOM 749 CG ARG A 53 -4.530 -11.813 0.771 1.00 0.00 C ATOM 750 CD ARG A 53 -3.146 -11.209 0.697 1.00 0.00 C ATOM 751 NE ARG A 53 -2.100 -12.224 0.621 1.00 0.00 N ATOM 752 CZ ARG A 53 -1.032 -12.274 1.447 1.00 0.00 C ATOM 753 NH1 ARG A 53 -0.882 -11.361 2.419 1.00 0.00 N ATOM 754 NH2 ARG A 53 -0.130 -13.232 1.306 1.00 0.00 N ATOM 0 H ARG A 53 -7.327 -9.925 3.007 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.872 -11.444 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.553 -11.298 1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.565 -9.925 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.489 -12.736 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.859 -12.081 -0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.082 -10.559 -0.176 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.978 -10.583 1.573 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.180 -12.940 -0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.577 -10.624 2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.073 -11.405 3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.241 -13.933 0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.676 -13.269 1.930 1.00 0.00 H new ATOM 768 N ILE A 54 -4.884 -8.198 3.115 1.00 0.00 N ATOM 769 CA ILE A 54 -4.113 -6.997 3.309 1.00 0.00 C ATOM 770 C ILE A 54 -4.063 -6.758 4.816 1.00 0.00 C ATOM 771 O ILE A 54 -4.960 -7.240 5.547 1.00 0.00 O ATOM 772 CB ILE A 54 -4.782 -5.804 2.573 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.815 -4.632 2.434 1.00 0.00 C ATOM 774 CG2 ILE A 54 -6.046 -5.361 3.318 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.317 -3.569 1.491 1.00 0.00 C ATOM 0 H ILE A 54 -5.887 -8.039 3.017 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.107 -7.095 2.901 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.058 -6.137 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.644 -4.189 3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.853 -5.001 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.504 -4.524 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.751 -6.191 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.783 -5.052 4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.588 -2.761 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.461 -4.000 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.265 -3.176 1.857 1.00 0.00 H new ATOM 787 N GLN A 55 -3.064 -6.080 5.304 1.00 0.00 N ATOM 788 CA GLN A 55 -2.925 -5.941 6.718 1.00 0.00 C ATOM 789 C GLN A 55 -2.594 -4.497 7.096 1.00 0.00 C ATOM 790 O GLN A 55 -2.822 -3.571 6.329 1.00 0.00 O ATOM 791 CB GLN A 55 -1.834 -6.902 7.235 1.00 0.00 C ATOM 792 CG GLN A 55 -2.047 -8.373 6.869 1.00 0.00 C ATOM 793 CD GLN A 55 -0.979 -9.306 7.414 1.00 0.00 C ATOM 794 OE1 GLN A 55 -0.656 -10.329 6.791 1.00 0.00 O ATOM 795 NE2 GLN A 55 -0.458 -9.007 8.575 1.00 0.00 N ATOM 0 H GLN A 55 -2.343 -5.621 4.748 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.874 -6.199 7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.870 -6.580 6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.779 -6.817 8.320 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.020 -8.693 7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.077 -8.466 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.747 -8.157 9.060 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.237 -9.623 8.996 1.00 0.00 H new ATOM 804 N VAL A 56 -2.115 -4.315 8.311 1.00 0.00 N ATOM 805 CA VAL A 56 -1.683 -3.016 8.779 1.00 0.00 C ATOM 806 C VAL A 56 -0.165 -3.095 9.035 1.00 0.00 C ATOM 807 O VAL A 56 0.462 -2.208 9.627 1.00 0.00 O ATOM 808 CB VAL A 56 -2.434 -2.629 10.096 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.987 -3.465 11.294 1.00 0.00 C ATOM 810 CG2 VAL A 56 -2.337 -1.143 10.376 1.00 0.00 C ATOM 0 H VAL A 56 -2.015 -5.062 8.998 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.907 -2.252 8.034 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.486 -2.863 9.936 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.540 -3.155 12.181 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.182 -4.519 11.095 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.920 -3.319 11.462 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.870 -0.911 11.298 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.290 -0.860 10.481 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.782 -0.587 9.550 1.00 0.00 H new ATOM 820 N ASN A 57 0.409 -4.178 8.566 1.00 0.00 N ATOM 821 CA ASN A 57 1.809 -4.475 8.815 1.00 0.00 C ATOM 822 C ASN A 57 2.567 -4.624 7.505 1.00 0.00 C ATOM 823 O ASN A 57 3.804 -4.713 7.482 1.00 0.00 O ATOM 824 CB ASN A 57 1.903 -5.764 9.653 1.00 0.00 C ATOM 825 CG ASN A 57 3.305 -6.113 10.112 1.00 0.00 C ATOM 826 OD1 ASN A 57 4.046 -6.836 9.435 1.00 0.00 O ATOM 827 ND2 ASN A 57 3.676 -5.615 11.259 1.00 0.00 N ATOM 0 H ASN A 57 -0.074 -4.878 8.003 1.00 0.00 H new ATOM 0 HA ASN A 57 2.265 -3.652 9.366 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.262 -5.661 10.529 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.509 -6.594 9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.606 -5.818 11.626 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.036 -5.023 11.789 1.00 0.00 H new ATOM 834 N ASP A 58 1.836 -4.615 6.418 1.00 0.00 N ATOM 835 CA ASP A 58 2.426 -4.804 5.111 1.00 0.00 C ATOM 836 C ASP A 58 2.906 -3.466 4.543 1.00 0.00 C ATOM 837 O ASP A 58 3.029 -2.455 5.276 1.00 0.00 O ATOM 838 CB ASP A 58 1.444 -5.498 4.141 1.00 0.00 C ATOM 839 CG ASP A 58 0.223 -4.684 3.848 1.00 0.00 C ATOM 840 OD1 ASP A 58 0.276 -3.837 2.958 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.786 -4.899 4.522 1.00 0.00 O ATOM 0 H ASP A 58 0.825 -4.478 6.410 1.00 0.00 H new ATOM 0 HA ASP A 58 3.289 -5.461 5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.961 -5.714 3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.140 -6.455 4.566 1.00 0.00 H new ATOM 846 N GLN A 59 3.181 -3.447 3.270 1.00 0.00 N ATOM 847 CA GLN A 59 3.731 -2.303 2.642 1.00 0.00 C ATOM 848 C GLN A 59 3.140 -2.125 1.260 1.00 0.00 C ATOM 849 O GLN A 59 3.255 -3.013 0.410 1.00 0.00 O ATOM 850 CB GLN A 59 5.238 -2.455 2.557 1.00 0.00 C ATOM 851 CG GLN A 59 5.919 -1.284 1.913 1.00 0.00 C ATOM 852 CD GLN A 59 7.412 -1.340 1.998 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.024 -2.406 2.016 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.001 -0.194 2.079 1.00 0.00 N ATOM 0 H GLN A 59 3.025 -4.236 2.643 1.00 0.00 H new ATOM 0 HA GLN A 59 3.491 -1.418 3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.639 -2.592 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.474 -3.358 1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.624 -1.234 0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.570 -0.366 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.451 0.665 2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.017 -0.147 2.162 1.00 0.00 H new ATOM 863 N ILE A 60 2.524 -0.982 1.041 1.00 0.00 N ATOM 864 CA ILE A 60 1.925 -0.658 -0.234 1.00 0.00 C ATOM 865 C ILE A 60 3.028 -0.428 -1.259 1.00 0.00 C ATOM 866 O ILE A 60 3.699 0.581 -1.218 1.00 0.00 O ATOM 867 CB ILE A 60 1.099 0.642 -0.161 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.060 0.603 0.982 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.417 0.866 -1.491 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.962 -0.513 0.883 1.00 0.00 C ATOM 0 H ILE A 60 2.425 -0.251 1.745 1.00 0.00 H new ATOM 0 HA ILE A 60 1.275 -1.488 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 60 1.775 1.470 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.589 0.507 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.467 1.557 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.170 1.784 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.169 0.952 -2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.241 0.024 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.646 -0.456 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.524 -0.410 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.451 -1.476 0.893 1.00 0.00 H new ATOM 882 N VAL A 61 3.204 -1.348 -2.157 1.00 0.00 N ATOM 883 CA VAL A 61 4.271 -1.246 -3.139 1.00 0.00 C ATOM 884 C VAL A 61 3.796 -0.470 -4.381 1.00 0.00 C ATOM 885 O VAL A 61 4.407 0.524 -4.800 1.00 0.00 O ATOM 886 CB VAL A 61 4.775 -2.668 -3.523 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.835 -2.641 -4.597 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.283 -3.407 -2.292 1.00 0.00 C ATOM 0 H VAL A 61 2.627 -2.185 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 61 5.102 -0.692 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 61 3.920 -3.204 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.149 -3.660 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.430 -2.177 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.693 -2.067 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.631 -4.399 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.107 -2.849 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.475 -3.503 -1.566 1.00 0.00 H new ATOM 898 N GLU A 62 2.693 -0.892 -4.930 1.00 0.00 N ATOM 899 CA GLU A 62 2.147 -0.286 -6.123 1.00 0.00 C ATOM 900 C GLU A 62 0.637 -0.330 -6.073 1.00 0.00 C ATOM 901 O GLU A 62 0.038 -1.383 -6.116 1.00 0.00 O ATOM 902 CB GLU A 62 2.677 -0.989 -7.401 1.00 0.00 C ATOM 903 CG GLU A 62 2.000 -0.539 -8.694 1.00 0.00 C ATOM 904 CD GLU A 62 2.492 -1.283 -9.912 1.00 0.00 C ATOM 905 OE1 GLU A 62 3.586 -0.974 -10.392 1.00 0.00 O ATOM 906 OE2 GLU A 62 1.781 -2.181 -10.423 1.00 0.00 O ATOM 0 H GLU A 62 2.141 -1.668 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 62 2.470 0.754 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.749 -0.807 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.544 -2.065 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.923 -0.679 -8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.171 0.528 -8.834 1.00 0.00 H new ATOM 913 N VAL A 63 0.028 0.799 -5.920 1.00 0.00 N ATOM 914 CA VAL A 63 -1.402 0.867 -5.934 1.00 0.00 C ATOM 915 C VAL A 63 -1.909 1.444 -7.215 1.00 0.00 C ATOM 916 O VAL A 63 -1.365 2.425 -7.701 1.00 0.00 O ATOM 917 CB VAL A 63 -1.967 1.602 -4.694 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.298 2.265 -4.988 1.00 0.00 C ATOM 919 CG2 VAL A 63 -2.168 0.584 -3.616 1.00 0.00 C ATOM 0 H VAL A 63 0.498 1.694 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.772 -0.156 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.265 2.381 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.659 2.769 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.172 2.994 -5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.021 1.509 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.566 1.071 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.870 -0.176 -3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.214 0.114 -3.377 1.00 0.00 H new ATOM 929 N ASP A 64 -2.883 0.745 -7.803 1.00 0.00 N ATOM 930 CA ASP A 64 -3.616 1.181 -9.018 1.00 0.00 C ATOM 931 C ASP A 64 -2.662 1.334 -10.222 1.00 0.00 C ATOM 932 O ASP A 64 -2.986 1.924 -11.247 1.00 0.00 O ATOM 933 CB ASP A 64 -4.403 2.485 -8.711 1.00 0.00 C ATOM 934 CG ASP A 64 -5.390 2.895 -9.790 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.351 2.130 -10.066 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.274 4.011 -10.320 1.00 0.00 O ATOM 0 H ASP A 64 -3.198 -0.158 -7.450 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.337 0.413 -9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.943 2.356 -7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.691 3.297 -8.560 1.00 0.00 H new ATOM 941 N GLY A 65 -1.485 0.740 -10.082 1.00 0.00 N ATOM 942 CA GLY A 65 -0.476 0.803 -11.111 1.00 0.00 C ATOM 943 C GLY A 65 0.261 2.127 -11.111 1.00 0.00 C ATOM 944 O GLY A 65 0.875 2.499 -12.103 1.00 0.00 O ATOM 0 H GLY A 65 -1.211 0.207 -9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.238 -0.008 -10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.942 0.649 -12.084 1.00 0.00 H new ATOM 948 N ILE A 66 0.191 2.856 -10.004 1.00 0.00 N ATOM 949 CA ILE A 66 0.839 4.147 -9.918 1.00 0.00 C ATOM 950 C ILE A 66 2.347 3.990 -9.630 1.00 0.00 C ATOM 951 O ILE A 66 3.152 4.790 -10.086 1.00 0.00 O ATOM 952 CB ILE A 66 0.141 5.062 -8.844 1.00 0.00 C ATOM 953 CG1 ILE A 66 0.314 6.525 -9.229 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.714 4.820 -7.439 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.489 7.476 -8.384 1.00 0.00 C ATOM 0 H ILE A 66 -0.307 2.572 -9.160 1.00 0.00 H new ATOM 0 HA ILE A 66 0.736 4.640 -10.885 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.919 4.809 -8.820 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.369 6.788 -9.153 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.028 6.652 -10.273 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.209 5.469 -6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.559 3.779 -7.157 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.781 5.041 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.313 8.498 -8.719 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.549 7.241 -8.479 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.188 7.379 -7.341 1.00 0.00 H new ATOM 967 N SER A 67 2.687 2.904 -8.913 1.00 0.00 N ATOM 968 CA SER A 67 4.037 2.597 -8.444 1.00 0.00 C ATOM 969 C SER A 67 4.604 3.769 -7.637 1.00 0.00 C ATOM 970 O SER A 67 5.142 4.736 -8.172 1.00 0.00 O ATOM 971 CB SER A 67 4.983 2.162 -9.582 1.00 0.00 C ATOM 972 OG SER A 67 6.224 1.678 -9.064 1.00 0.00 O ATOM 0 H SER A 67 2.004 2.198 -8.639 1.00 0.00 H new ATOM 0 HA SER A 67 3.962 1.734 -7.782 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.506 1.384 -10.178 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.168 3.005 -10.248 1.00 0.00 H new ATOM 0 HG SER A 67 6.805 1.407 -9.806 1.00 0.00 H new ATOM 978 N LEU A 68 4.457 3.682 -6.350 1.00 0.00 N ATOM 979 CA LEU A 68 4.868 4.751 -5.462 1.00 0.00 C ATOM 980 C LEU A 68 6.203 4.396 -4.811 1.00 0.00 C ATOM 981 O LEU A 68 6.586 4.926 -3.761 1.00 0.00 O ATOM 982 CB LEU A 68 3.803 4.958 -4.408 1.00 0.00 C ATOM 983 CG LEU A 68 3.523 3.754 -3.546 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.624 4.131 -2.093 1.00 0.00 C ATOM 985 CD2 LEU A 68 2.171 3.170 -3.878 1.00 0.00 C ATOM 0 H LEU A 68 4.051 2.875 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 68 4.994 5.674 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.104 5.785 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.878 5.258 -4.901 1.00 0.00 H new ATOM 0 HG LEU A 68 4.269 2.985 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.421 3.256 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.628 4.499 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.897 4.911 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.985 2.301 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.398 3.919 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.152 2.868 -4.925 1.00 0.00 H new ATOM 997 N VAL A 69 6.884 3.495 -5.441 1.00 0.00 N ATOM 998 CA VAL A 69 8.182 3.029 -5.011 1.00 0.00 C ATOM 999 C VAL A 69 9.216 4.173 -5.007 1.00 0.00 C ATOM 1000 O VAL A 69 9.787 4.514 -6.034 1.00 0.00 O ATOM 1001 CB VAL A 69 8.692 1.859 -5.897 1.00 0.00 C ATOM 1002 CG1 VAL A 69 10.000 1.286 -5.363 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.636 0.770 -6.021 1.00 0.00 C ATOM 0 H VAL A 69 6.552 3.044 -6.294 1.00 0.00 H new ATOM 0 HA VAL A 69 8.064 2.662 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 69 8.887 2.260 -6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.329 0.470 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.761 2.067 -5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.847 0.912 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.018 -0.037 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.397 0.381 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.736 1.186 -6.475 1.00 0.00 H new ATOM 1013 N GLY A 70 9.372 4.802 -3.865 1.00 0.00 N ATOM 1014 CA GLY A 70 10.358 5.840 -3.715 1.00 0.00 C ATOM 1015 C GLY A 70 9.745 7.186 -3.401 1.00 0.00 C ATOM 1016 O GLY A 70 10.457 8.187 -3.326 1.00 0.00 O ATOM 0 H GLY A 70 8.825 4.610 -3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.050 5.566 -2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.942 5.916 -4.632 1.00 0.00 H new ATOM 1020 N VAL A 71 8.436 7.214 -3.191 1.00 0.00 N ATOM 1021 CA VAL A 71 7.738 8.475 -2.929 1.00 0.00 C ATOM 1022 C VAL A 71 7.731 8.832 -1.443 1.00 0.00 C ATOM 1023 O VAL A 71 8.256 8.083 -0.606 1.00 0.00 O ATOM 1024 CB VAL A 71 6.278 8.453 -3.445 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.226 8.084 -4.917 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.403 7.530 -2.603 1.00 0.00 C ATOM 0 H VAL A 71 7.837 6.389 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 71 8.296 9.236 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 71 5.874 9.460 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.189 8.076 -5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.790 8.816 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.662 7.095 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.385 7.538 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.799 6.515 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.399 7.876 -1.569 1.00 0.00 H new ATOM 1036 N THR A 72 7.129 9.961 -1.126 1.00 0.00 N ATOM 1037 CA THR A 72 6.986 10.410 0.229 1.00 0.00 C ATOM 1038 C THR A 72 5.664 9.975 0.772 1.00 0.00 C ATOM 1039 O THR A 72 4.811 9.410 0.045 1.00 0.00 O ATOM 1040 CB THR A 72 7.037 11.941 0.328 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.188 12.495 -0.701 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.450 12.464 0.172 1.00 0.00 C ATOM 0 H THR A 72 6.724 10.594 -1.816 1.00 0.00 H new ATOM 0 HA THR A 72 7.811 9.979 0.796 1.00 0.00 H new ATOM 0 HB THR A 72 6.687 12.242 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.440 13.427 -0.867 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.446 13.551 0.248 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.081 12.048 0.958 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.841 12.170 -0.802 1.00 0.00 H new ATOM 1050 N GLN A 73 5.469 10.265 2.018 1.00 0.00 N ATOM 1051 CA GLN A 73 4.260 9.965 2.686 1.00 0.00 C ATOM 1052 C GLN A 73 3.085 10.715 2.066 1.00 0.00 C ATOM 1053 O GLN A 73 2.037 10.157 1.899 1.00 0.00 O ATOM 1054 CB GLN A 73 4.378 10.229 4.204 1.00 0.00 C ATOM 1055 CG GLN A 73 4.360 11.668 4.672 1.00 0.00 C ATOM 1056 CD GLN A 73 5.438 12.506 4.034 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.215 13.201 3.063 1.00 0.00 O ATOM 1058 NE2 GLN A 73 6.609 12.306 4.442 1.00 0.00 N ATOM 0 H GLN A 73 6.164 10.726 2.605 1.00 0.00 H new ATOM 0 HA GLN A 73 4.063 8.900 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.561 9.705 4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.306 9.775 4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.387 12.105 4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.480 11.694 5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.771 11.718 5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.398 12.731 3.955 1.00 0.00 H new ATOM 1067 N ASN A 74 3.302 11.953 1.665 1.00 0.00 N ATOM 1068 CA ASN A 74 2.240 12.765 1.108 1.00 0.00 C ATOM 1069 C ASN A 74 1.794 12.255 -0.239 1.00 0.00 C ATOM 1070 O ASN A 74 0.615 12.344 -0.567 1.00 0.00 O ATOM 1071 CB ASN A 74 2.581 14.271 1.052 1.00 0.00 C ATOM 1072 CG ASN A 74 3.769 14.625 0.181 1.00 0.00 C ATOM 1073 OD1 ASN A 74 3.641 14.836 -1.028 1.00 0.00 O ATOM 1074 ND2 ASN A 74 4.911 14.733 0.778 1.00 0.00 N ATOM 0 H ASN A 74 4.208 12.419 1.715 1.00 0.00 H new ATOM 0 HA ASN A 74 1.404 12.669 1.800 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.708 14.813 0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.775 14.623 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.740 15.000 0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.982 14.551 1.779 1.00 0.00 H new ATOM 1081 N PHE A 75 2.718 11.688 -1.009 1.00 0.00 N ATOM 1082 CA PHE A 75 2.351 11.112 -2.283 1.00 0.00 C ATOM 1083 C PHE A 75 1.499 9.887 -2.020 1.00 0.00 C ATOM 1084 O PHE A 75 0.387 9.763 -2.540 1.00 0.00 O ATOM 1085 CB PHE A 75 3.583 10.719 -3.107 1.00 0.00 C ATOM 1086 CG PHE A 75 3.264 10.232 -4.520 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.777 8.942 -4.756 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.456 11.065 -5.602 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.488 8.512 -6.035 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.169 10.636 -6.884 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.687 9.359 -7.100 1.00 0.00 C ATOM 0 H PHE A 75 3.708 11.619 -0.772 1.00 0.00 H new ATOM 0 HA PHE A 75 1.799 11.854 -2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.251 11.578 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.124 9.935 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.625 8.271 -3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.835 12.064 -5.446 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.107 7.515 -6.199 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.322 11.302 -7.721 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.467 9.027 -8.104 1.00 0.00 H new ATOM 1101 N ALA A 76 2.011 8.998 -1.171 1.00 0.00 N ATOM 1102 CA ALA A 76 1.312 7.773 -0.834 1.00 0.00 C ATOM 1103 C ALA A 76 -0.046 8.061 -0.203 1.00 0.00 C ATOM 1104 O ALA A 76 -1.050 7.485 -0.600 1.00 0.00 O ATOM 1105 CB ALA A 76 2.155 6.931 0.083 1.00 0.00 C ATOM 0 H ALA A 76 2.912 9.110 -0.705 1.00 0.00 H new ATOM 0 HA ALA A 76 1.135 7.221 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.620 6.014 0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.094 6.682 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.364 7.486 0.998 1.00 0.00 H new ATOM 1111 N ALA A 77 -0.074 9.009 0.723 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.297 9.401 1.426 1.00 0.00 C ATOM 1113 C ALA A 77 -2.318 9.987 0.469 1.00 0.00 C ATOM 1114 O ALA A 77 -3.490 10.094 0.791 1.00 0.00 O ATOM 1115 CB ALA A 77 -0.989 10.398 2.529 1.00 0.00 C ATOM 0 H ALA A 77 0.752 9.533 1.012 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.721 8.501 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.913 10.675 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.302 9.948 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.532 11.288 2.097 1.00 0.00 H new ATOM 1121 N THR A 78 -1.862 10.396 -0.682 1.00 0.00 N ATOM 1122 CA THR A 78 -2.725 10.875 -1.698 1.00 0.00 C ATOM 1123 C THR A 78 -3.291 9.695 -2.498 1.00 0.00 C ATOM 1124 O THR A 78 -4.499 9.582 -2.644 1.00 0.00 O ATOM 1125 CB THR A 78 -1.996 11.888 -2.610 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.610 13.031 -1.822 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.877 12.333 -3.770 1.00 0.00 C ATOM 0 H THR A 78 -0.873 10.402 -0.932 1.00 0.00 H new ATOM 0 HA THR A 78 -3.559 11.404 -1.236 1.00 0.00 H new ATOM 0 HB THR A 78 -1.115 11.404 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.977 12.751 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.331 13.045 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.153 11.466 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.778 12.807 -3.381 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.428 8.790 -2.945 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.858 7.633 -3.747 1.00 0.00 C ATOM 1137 C VAL A 79 -3.857 6.776 -2.972 1.00 0.00 C ATOM 1138 O VAL A 79 -4.974 6.574 -3.417 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.671 6.745 -4.180 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -2.136 5.636 -5.117 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.602 7.582 -4.825 1.00 0.00 C ATOM 0 H VAL A 79 -1.424 8.828 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.330 8.039 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.249 6.274 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.282 5.024 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.872 5.014 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.587 6.076 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.229 6.943 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.011 8.082 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.247 8.329 -4.115 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.463 6.352 -1.777 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.298 5.506 -0.900 1.00 0.00 C ATOM 1153 C LEU A 80 -5.542 6.270 -0.365 1.00 0.00 C ATOM 1154 O LEU A 80 -6.358 5.724 0.373 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.468 4.944 0.287 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.364 3.885 -0.017 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -2.913 2.721 -0.800 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.161 4.471 -0.728 1.00 0.00 C ATOM 0 H LEU A 80 -2.553 6.581 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.652 4.674 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.991 5.787 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.164 4.503 1.000 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.023 3.527 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.115 2.004 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.704 2.238 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.317 3.078 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.428 3.685 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.475 4.904 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.713 5.246 -0.107 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.642 7.535 -0.709 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.804 8.349 -0.392 1.00 0.00 C ATOM 1172 C ARG A 81 -7.704 8.411 -1.620 1.00 0.00 C ATOM 1173 O ARG A 81 -8.922 8.276 -1.536 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.367 9.771 -0.084 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.504 10.745 0.108 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.037 12.154 -0.160 1.00 0.00 C ATOM 1177 NE ARG A 81 -8.147 13.107 -0.135 1.00 0.00 N ATOM 1178 CZ ARG A 81 -8.114 14.330 -0.669 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -6.958 14.853 -1.070 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -9.233 15.044 -0.764 1.00 0.00 N ATOM 0 H ARG A 81 -4.915 8.036 -1.221 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.321 7.915 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.755 9.763 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.733 10.127 -0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.325 10.493 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.889 10.669 1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.296 12.440 0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.544 12.195 -1.131 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.010 12.815 0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.095 14.319 -0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.935 15.788 -1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.115 14.657 -0.429 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.209 15.979 -1.172 1.00 0.00 H new ATOM 1194 N ASN A 82 -7.063 8.605 -2.766 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.738 8.806 -4.055 1.00 0.00 C ATOM 1196 C ASN A 82 -8.347 7.524 -4.587 1.00 0.00 C ATOM 1197 O ASN A 82 -9.122 7.544 -5.555 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.782 9.406 -5.125 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.483 10.906 -4.993 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -6.336 11.607 -6.001 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -6.292 11.386 -3.800 1.00 0.00 N ATOM 0 H ASN A 82 -6.046 8.629 -2.834 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.540 9.518 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.838 8.863 -5.086 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.213 9.227 -6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.015 12.360 -3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.419 10.788 -2.983 1.00 0.00 H new ATOM 1208 N THR A 83 -7.995 6.429 -3.983 1.00 0.00 N ATOM 1209 CA THR A 83 -8.488 5.154 -4.376 1.00 0.00 C ATOM 1210 C THR A 83 -9.921 4.928 -3.940 1.00 0.00 C ATOM 1211 O THR A 83 -10.326 5.290 -2.823 1.00 0.00 O ATOM 1212 CB THR A 83 -7.621 4.055 -3.808 1.00 0.00 C ATOM 1213 OG1 THR A 83 -7.378 4.337 -2.430 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.308 3.952 -4.541 1.00 0.00 C ATOM 0 H THR A 83 -7.349 6.401 -3.194 1.00 0.00 H new ATOM 0 HA THR A 83 -8.458 5.131 -5.465 1.00 0.00 H new ATOM 0 HB THR A 83 -8.140 3.103 -3.923 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.521 3.945 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.710 3.151 -4.106 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.495 3.735 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.769 4.895 -4.455 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.656 4.322 -4.813 1.00 0.00 N ATOM 1223 CA LYS A 84 -12.017 3.954 -4.577 1.00 0.00 C ATOM 1224 C LYS A 84 -12.097 2.467 -4.391 1.00 0.00 C ATOM 1225 O LYS A 84 -11.065 1.843 -4.212 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.924 4.457 -5.704 1.00 0.00 C ATOM 1227 CG LYS A 84 -13.177 5.947 -5.633 1.00 0.00 C ATOM 1228 CD LYS A 84 -13.927 6.284 -4.363 1.00 0.00 C ATOM 1229 CE LYS A 84 -14.142 7.770 -4.212 1.00 0.00 C ATOM 1230 NZ LYS A 84 -14.856 8.096 -2.954 1.00 0.00 N ATOM 0 H LYS A 84 -10.318 4.060 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.377 4.430 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.469 4.216 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.877 3.929 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.230 6.487 -5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.752 6.268 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.892 5.776 -4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.372 5.909 -3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.179 8.280 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.713 8.143 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.667 9.085 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.878 7.964 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.524 7.468 -2.194 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.307 1.929 -4.417 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.572 0.526 -4.178 1.00 0.00 C ATOM 1246 C GLY A 85 -12.582 -0.444 -4.788 1.00 0.00 C ATOM 1247 O GLY A 85 -11.933 -1.178 -4.067 1.00 0.00 O ATOM 0 H GLY A 85 -14.149 2.472 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.599 0.359 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.565 0.292 -4.562 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.417 -0.409 -6.068 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.563 -1.404 -6.733 1.00 0.00 C ATOM 1253 C ASN A 86 -10.130 -0.962 -6.764 1.00 0.00 C ATOM 1254 O ASN A 86 -9.732 -0.121 -7.586 1.00 0.00 O ATOM 1255 CB ASN A 86 -12.064 -1.764 -8.134 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.393 -2.483 -8.098 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -13.450 -3.709 -7.998 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -14.466 -1.741 -8.171 1.00 0.00 N ATOM 0 H ASN A 86 -12.845 0.278 -6.689 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.621 -2.314 -6.136 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.161 -0.855 -8.728 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.326 -2.393 -8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.389 -2.175 -8.146 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.381 -0.728 -8.253 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.349 -1.497 -5.856 1.00 0.00 N ATOM 1266 CA VAL A 87 -7.972 -1.090 -5.716 1.00 0.00 C ATOM 1267 C VAL A 87 -7.059 -2.254 -5.945 1.00 0.00 C ATOM 1268 O VAL A 87 -7.220 -3.294 -5.336 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.632 -0.597 -4.308 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.484 0.385 -4.333 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.826 -0.085 -3.552 1.00 0.00 C ATOM 0 H VAL A 87 -9.646 -2.219 -5.200 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.839 -0.289 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.298 -1.467 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.267 0.717 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.602 -0.097 -4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.754 1.245 -4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.514 0.248 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.269 0.751 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.562 -0.883 -3.451 1.00 0.00 H new ATOM 1281 N ARG A 88 -6.115 -2.070 -6.792 1.00 0.00 N ATOM 1282 CA ARG A 88 -5.080 -3.039 -7.016 1.00 0.00 C ATOM 1283 C ARG A 88 -3.917 -2.727 -6.122 1.00 0.00 C ATOM 1284 O ARG A 88 -3.146 -1.792 -6.388 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.647 -3.006 -8.462 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.665 -3.580 -9.409 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.462 -3.034 -10.793 1.00 0.00 C ATOM 1288 NE ARG A 88 -4.079 -3.204 -11.288 1.00 0.00 N ATOM 1289 CZ ARG A 88 -3.437 -2.331 -12.093 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -4.051 -1.230 -12.520 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -2.179 -2.562 -12.463 1.00 0.00 N ATOM 0 H ARG A 88 -6.028 -1.231 -7.365 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.456 -4.037 -6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.439 -1.975 -8.747 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.714 -3.560 -8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.584 -4.667 -9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.670 -3.341 -9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.150 -3.531 -11.477 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.716 -1.974 -10.800 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.573 -4.042 -11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.013 -1.041 -12.239 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.559 -0.575 -13.128 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.698 -3.401 -12.138 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.697 -1.900 -13.071 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.839 -3.435 -5.036 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.759 -3.287 -4.112 1.00 0.00 C ATOM 1307 C PHE A 89 -1.689 -4.253 -4.462 1.00 0.00 C ATOM 1308 O PHE A 89 -1.808 -5.430 -4.185 1.00 0.00 O ATOM 1309 CB PHE A 89 -3.191 -3.576 -2.684 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.249 -2.695 -2.154 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.929 -1.466 -1.641 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.565 -3.095 -2.166 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.892 -0.639 -1.144 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.544 -2.273 -1.667 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.207 -1.037 -1.155 1.00 0.00 C ATOM 0 H PHE A 89 -4.529 -4.136 -4.766 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.411 -2.256 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.539 -4.608 -2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.318 -3.499 -2.035 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.897 -1.147 -1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.829 -4.061 -2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.622 0.327 -0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.576 -2.593 -1.675 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.974 -0.385 -0.764 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.683 -3.801 -5.099 1.00 0.00 N ATOM 1326 CA VAL A 90 0.413 -4.653 -5.383 1.00 0.00 C ATOM 1327 C VAL A 90 1.360 -4.501 -4.236 1.00 0.00 C ATOM 1328 O VAL A 90 2.089 -3.532 -4.141 1.00 0.00 O ATOM 1329 CB VAL A 90 1.113 -4.307 -6.706 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.264 -5.268 -6.992 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.124 -4.303 -7.855 1.00 0.00 C ATOM 0 H VAL A 90 -0.589 -2.843 -5.438 1.00 0.00 H new ATOM 0 HA VAL A 90 0.064 -5.679 -5.501 1.00 0.00 H new ATOM 0 HB VAL A 90 1.529 -3.305 -6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.739 -4.997 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.996 -5.209 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.880 -6.286 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.643 -4.055 -8.781 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.331 -5.289 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.652 -3.562 -7.665 1.00 0.00 H new ATOM 1341 N ILE A 91 1.191 -5.348 -3.302 1.00 0.00 N ATOM 1342 CA ILE A 91 1.975 -5.412 -2.119 1.00 0.00 C ATOM 1343 C ILE A 91 2.807 -6.663 -2.181 1.00 0.00 C ATOM 1344 O ILE A 91 2.447 -7.618 -2.857 1.00 0.00 O ATOM 1345 CB ILE A 91 1.010 -5.447 -0.910 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.238 -4.139 -0.869 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.716 -5.729 0.428 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.863 -4.128 0.097 1.00 0.00 C ATOM 0 H ILE A 91 0.462 -6.061 -3.336 1.00 0.00 H new ATOM 0 HA ILE A 91 2.637 -4.551 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 91 0.324 -6.283 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.927 -3.329 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.161 -3.933 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.980 -5.739 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.214 -6.697 0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.454 -4.950 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.364 -3.161 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.575 -4.914 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.470 -4.301 1.099 1.00 0.00 H new ATOM 1360 N GLY A 92 3.911 -6.657 -1.530 1.00 0.00 N ATOM 1361 CA GLY A 92 4.717 -7.803 -1.536 1.00 0.00 C ATOM 1362 C GLY A 92 4.999 -8.262 -0.149 1.00 0.00 C ATOM 1363 O GLY A 92 5.065 -7.444 0.781 1.00 0.00 O ATOM 0 H GLY A 92 4.270 -5.870 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.221 -8.598 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.654 -7.591 -2.050 1.00 0.00 H new ATOM 1367 N ARG A 93 5.187 -9.531 -0.005 1.00 0.00 N ATOM 1368 CA ARG A 93 5.426 -10.133 1.267 1.00 0.00 C ATOM 1369 C ARG A 93 6.823 -10.689 1.304 1.00 0.00 C ATOM 1370 O ARG A 93 7.281 -11.304 0.335 1.00 0.00 O ATOM 1371 CB ARG A 93 4.328 -11.185 1.581 1.00 0.00 C ATOM 1372 CG ARG A 93 4.441 -11.897 2.931 1.00 0.00 C ATOM 1373 CD ARG A 93 5.444 -13.034 2.882 1.00 0.00 C ATOM 1374 NE ARG A 93 5.014 -14.068 1.949 1.00 0.00 N ATOM 1375 CZ ARG A 93 5.783 -14.696 1.043 1.00 0.00 C ATOM 1376 NH1 ARG A 93 7.098 -14.460 0.957 1.00 0.00 N ATOM 1377 NH2 ARG A 93 5.224 -15.571 0.226 1.00 0.00 N ATOM 0 H ARG A 93 5.179 -10.192 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 93 5.361 -9.387 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.357 -10.691 1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.341 -11.939 0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.740 -11.181 3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.465 -12.285 3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.419 -12.651 2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.562 -13.463 3.877 1.00 0.00 H new ATOM 0 HE ARG A 93 4.032 -14.342 1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.538 -13.790 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.660 -14.950 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.224 -15.761 0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.793 -16.057 -0.468 1.00 0.00 H new ATOM 1391 N GLU A 94 7.502 -10.430 2.393 1.00 0.00 N ATOM 1392 CA GLU A 94 8.848 -10.893 2.590 1.00 0.00 C ATOM 1393 C GLU A 94 8.877 -12.362 3.022 1.00 0.00 C ATOM 1394 O GLU A 94 8.557 -12.687 4.181 1.00 0.00 O ATOM 1395 CB GLU A 94 9.617 -9.968 3.550 1.00 0.00 C ATOM 1396 CG GLU A 94 8.976 -9.767 4.912 1.00 0.00 C ATOM 1397 CD GLU A 94 9.714 -8.765 5.745 1.00 0.00 C ATOM 1398 OE1 GLU A 94 10.751 -9.117 6.349 1.00 0.00 O ATOM 1399 OE2 GLU A 94 9.281 -7.604 5.804 1.00 0.00 O ATOM 0 H GLU A 94 7.131 -9.887 3.173 1.00 0.00 H new ATOM 0 HA GLU A 94 9.368 -10.848 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.618 -10.374 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.733 -8.994 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.945 -9.438 4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.942 -10.720 5.439 1.00 0.00 H new