USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=12 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 -150:sc= 0.0063 USER MOD Set 1.2: A 73 GLN : amide:sc= -0.579 K(o=0.062,f=-7.1!) USER MOD Set 1.3: A 74 ASN : amide:sc= 0.634 K(o=0.062,f=-0.74) USER MOD Single : A 12 LYS NZ :NH3+ -161:sc= 2.82 (180deg=2.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -159:sc= -0.0894 (180deg=-0.602) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.87) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.0788 F(o=-0.67,f=-0.079) USER MOD Single : A 57 ASN : amide:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 67 SER OG : rot 43:sc= 0.0636 USER MOD Single : A 78 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 82 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 83 THR OG1 : rot 70:sc= 0.0713 USER MOD Single : A 84 LYS NZ :NH3+ -129:sc= -0.0401 (180deg=-0.528) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 8.212 -11.428 -2.145 1.00 0.00 N ATOM 45 CA GLU A 4 7.168 -11.744 -3.069 1.00 0.00 C ATOM 46 C GLU A 4 6.270 -10.558 -3.192 1.00 0.00 C ATOM 47 O GLU A 4 5.701 -10.128 -2.205 1.00 0.00 O ATOM 48 CB GLU A 4 6.366 -12.922 -2.541 1.00 0.00 C ATOM 49 CG GLU A 4 5.260 -13.397 -3.474 1.00 0.00 C ATOM 50 CD GLU A 4 4.557 -14.624 -2.960 1.00 0.00 C ATOM 51 OE1 GLU A 4 5.047 -15.750 -3.218 1.00 0.00 O ATOM 52 OE2 GLU A 4 3.508 -14.504 -2.300 1.00 0.00 O ATOM 0 HA GLU A 4 7.593 -12.000 -4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.046 -13.753 -2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.924 -12.645 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.533 -12.596 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.684 -13.610 -4.455 1.00 0.00 H new ATOM 59 N LEU A 5 6.193 -10.005 -4.360 1.00 0.00 N ATOM 60 CA LEU A 5 5.305 -8.919 -4.624 1.00 0.00 C ATOM 61 C LEU A 5 4.018 -9.498 -5.155 1.00 0.00 C ATOM 62 O LEU A 5 4.036 -10.306 -6.091 1.00 0.00 O ATOM 63 CB LEU A 5 5.903 -7.929 -5.635 1.00 0.00 C ATOM 64 CG LEU A 5 7.265 -7.294 -5.283 1.00 0.00 C ATOM 65 CD1 LEU A 5 7.303 -6.786 -3.864 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.446 -8.210 -5.586 1.00 0.00 C ATOM 0 H LEU A 5 6.749 -10.297 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 5 5.129 -8.361 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.008 -8.444 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.184 -7.124 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 5 7.371 -6.431 -5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.280 -6.348 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.530 -6.029 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.126 -7.613 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.375 -7.707 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.351 -9.130 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.458 -8.449 -6.649 1.00 0.00 H new ATOM 78 N PHE A 6 2.925 -9.130 -4.561 1.00 0.00 N ATOM 79 CA PHE A 6 1.658 -9.682 -4.924 1.00 0.00 C ATOM 80 C PHE A 6 0.555 -8.633 -5.006 1.00 0.00 C ATOM 81 O PHE A 6 0.503 -7.694 -4.219 1.00 0.00 O ATOM 82 CB PHE A 6 1.263 -10.831 -3.978 1.00 0.00 C ATOM 83 CG PHE A 6 1.412 -10.542 -2.512 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.437 -9.845 -1.833 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.530 -10.968 -1.820 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.569 -9.573 -0.483 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.675 -10.706 -0.478 1.00 0.00 C ATOM 88 CZ PHE A 6 1.694 -10.004 0.196 1.00 0.00 C ATOM 0 H PHE A 6 2.887 -8.439 -3.812 1.00 0.00 H new ATOM 0 HA PHE A 6 1.773 -10.087 -5.929 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.225 -11.099 -4.174 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.869 -11.704 -4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.442 -9.506 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.302 -11.515 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.203 -9.027 0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.554 -11.048 0.048 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.805 -9.793 1.249 1.00 0.00 H new ATOM 98 N PRO A 7 -0.320 -8.771 -5.981 1.00 0.00 N ATOM 99 CA PRO A 7 -1.448 -7.885 -6.150 1.00 0.00 C ATOM 100 C PRO A 7 -2.614 -8.263 -5.254 1.00 0.00 C ATOM 101 O PRO A 7 -3.100 -9.409 -5.260 1.00 0.00 O ATOM 102 CB PRO A 7 -1.843 -8.102 -7.587 1.00 0.00 C ATOM 103 CG PRO A 7 -1.463 -9.524 -7.868 1.00 0.00 C ATOM 104 CD PRO A 7 -0.265 -9.808 -7.019 1.00 0.00 C ATOM 0 HA PRO A 7 -1.193 -6.856 -5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.911 -7.940 -7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.321 -7.413 -8.251 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.282 -10.201 -7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.234 -9.665 -8.924 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.308 -10.808 -6.588 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.658 -9.748 -7.596 1.00 0.00 H new ATOM 112 N VAL A 8 -3.037 -7.346 -4.477 1.00 0.00 N ATOM 113 CA VAL A 8 -4.192 -7.529 -3.675 1.00 0.00 C ATOM 114 C VAL A 8 -5.275 -6.655 -4.245 1.00 0.00 C ATOM 115 O VAL A 8 -5.291 -5.442 -4.020 1.00 0.00 O ATOM 116 CB VAL A 8 -3.959 -7.166 -2.188 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.178 -7.498 -1.343 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.721 -7.845 -1.648 1.00 0.00 C ATOM 0 H VAL A 8 -2.591 -6.435 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.465 -8.584 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.800 -6.089 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.984 -7.232 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.037 -6.935 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.388 -8.565 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.583 -7.571 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.835 -8.926 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.852 -7.528 -2.224 1.00 0.00 H new ATOM 128 N GLU A 9 -6.100 -7.235 -5.062 1.00 0.00 N ATOM 129 CA GLU A 9 -7.178 -6.521 -5.655 1.00 0.00 C ATOM 130 C GLU A 9 -8.321 -6.504 -4.672 1.00 0.00 C ATOM 131 O GLU A 9 -9.010 -7.512 -4.463 1.00 0.00 O ATOM 132 CB GLU A 9 -7.560 -7.157 -6.976 1.00 0.00 C ATOM 133 CG GLU A 9 -8.530 -6.369 -7.819 1.00 0.00 C ATOM 134 CD GLU A 9 -8.646 -6.975 -9.183 1.00 0.00 C ATOM 135 OE1 GLU A 9 -7.667 -6.908 -9.950 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.665 -7.570 -9.498 1.00 0.00 O ATOM 0 H GLU A 9 -6.041 -8.216 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.893 -5.493 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.652 -7.322 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.993 -8.137 -6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.508 -6.350 -7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.195 -5.335 -7.901 1.00 0.00 H new ATOM 143 N LEU A 10 -8.476 -5.386 -4.037 1.00 0.00 N ATOM 144 CA LEU A 10 -9.428 -5.223 -3.008 1.00 0.00 C ATOM 145 C LEU A 10 -10.627 -4.561 -3.627 1.00 0.00 C ATOM 146 O LEU A 10 -10.469 -3.713 -4.499 1.00 0.00 O ATOM 147 CB LEU A 10 -8.825 -4.286 -1.945 1.00 0.00 C ATOM 148 CG LEU A 10 -9.163 -4.543 -0.468 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.651 -4.635 -0.225 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.444 -5.778 0.035 1.00 0.00 C ATOM 0 H LEU A 10 -7.928 -4.548 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.701 -6.173 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.740 -4.321 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.135 -3.269 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.810 -3.682 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.836 -4.817 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.126 -3.700 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.066 -5.454 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.695 -5.944 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.751 -6.643 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.367 -5.637 -0.062 1.00 0.00 H new ATOM 162 N GLU A 11 -11.798 -4.968 -3.243 1.00 0.00 N ATOM 163 CA GLU A 11 -12.980 -4.294 -3.680 1.00 0.00 C ATOM 164 C GLU A 11 -13.565 -3.544 -2.495 1.00 0.00 C ATOM 165 O GLU A 11 -14.227 -4.127 -1.629 1.00 0.00 O ATOM 166 CB GLU A 11 -13.988 -5.259 -4.284 1.00 0.00 C ATOM 167 CG GLU A 11 -15.191 -4.572 -4.893 1.00 0.00 C ATOM 168 CD GLU A 11 -16.155 -5.545 -5.479 1.00 0.00 C ATOM 169 OE1 GLU A 11 -15.972 -5.956 -6.632 1.00 0.00 O ATOM 170 OE2 GLU A 11 -17.116 -5.922 -4.800 1.00 0.00 O ATOM 0 H GLU A 11 -11.960 -5.765 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.726 -3.589 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.494 -5.856 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.326 -5.949 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.694 -3.979 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.859 -3.880 -5.667 1.00 0.00 H new ATOM 177 N LYS A 12 -13.224 -2.293 -2.415 1.00 0.00 N ATOM 178 CA LYS A 12 -13.645 -1.426 -1.359 1.00 0.00 C ATOM 179 C LYS A 12 -14.998 -0.796 -1.573 1.00 0.00 C ATOM 180 O LYS A 12 -15.634 -0.921 -2.637 1.00 0.00 O ATOM 181 CB LYS A 12 -12.589 -0.353 -1.032 1.00 0.00 C ATOM 182 CG LYS A 12 -11.461 -0.829 -0.117 1.00 0.00 C ATOM 183 CD LYS A 12 -11.982 -1.389 1.220 1.00 0.00 C ATOM 184 CE LYS A 12 -11.669 -0.534 2.449 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.467 0.711 2.506 1.00 0.00 N ATOM 0 H LYS A 12 -12.627 -1.835 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.752 -2.082 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.155 0.007 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.086 0.496 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.883 -1.598 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.783 0.001 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.063 -1.512 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.558 -2.382 1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.855 -1.120 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.609 -0.280 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.009 1.388 3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.531 1.126 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.423 0.495 2.854 1.00 0.00 H new ATOM 199 N ASP A 13 -15.401 -0.112 -0.545 1.00 0.00 N ATOM 200 CA ASP A 13 -16.661 0.546 -0.407 1.00 0.00 C ATOM 201 C ASP A 13 -16.576 1.991 -0.873 1.00 0.00 C ATOM 202 O ASP A 13 -15.500 2.478 -1.252 1.00 0.00 O ATOM 203 CB ASP A 13 -17.080 0.482 1.068 1.00 0.00 C ATOM 204 CG ASP A 13 -15.972 0.959 1.999 1.00 0.00 C ATOM 205 OD1 ASP A 13 -15.002 0.178 2.249 1.00 0.00 O ATOM 206 OD2 ASP A 13 -16.012 2.113 2.453 1.00 0.00 O ATOM 0 H ASP A 13 -14.812 0.008 0.279 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.403 0.046 -1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.969 1.095 1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.352 -0.542 1.323 1.00 0.00 H new ATOM 211 N GLU A 14 -17.700 2.679 -0.783 1.00 0.00 N ATOM 212 CA GLU A 14 -17.871 4.036 -1.305 1.00 0.00 C ATOM 213 C GLU A 14 -17.068 5.094 -0.537 1.00 0.00 C ATOM 214 O GLU A 14 -16.880 6.211 -1.029 1.00 0.00 O ATOM 215 CB GLU A 14 -19.366 4.403 -1.345 1.00 0.00 C ATOM 216 CG GLU A 14 -20.068 4.339 0.010 1.00 0.00 C ATOM 217 CD GLU A 14 -21.544 4.636 -0.081 1.00 0.00 C ATOM 218 OE1 GLU A 14 -21.939 5.822 -0.029 1.00 0.00 O ATOM 219 OE2 GLU A 14 -22.349 3.687 -0.210 1.00 0.00 O ATOM 0 H GLU A 14 -18.540 2.309 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.468 4.035 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.470 5.411 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.874 3.731 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.928 3.347 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.600 5.051 0.690 1.00 0.00 H new ATOM 226 N ASP A 15 -16.591 4.747 0.652 1.00 0.00 N ATOM 227 CA ASP A 15 -15.814 5.691 1.461 1.00 0.00 C ATOM 228 C ASP A 15 -14.406 5.783 0.913 1.00 0.00 C ATOM 229 O ASP A 15 -13.736 6.810 1.026 1.00 0.00 O ATOM 230 CB ASP A 15 -15.766 5.242 2.922 1.00 0.00 C ATOM 231 CG ASP A 15 -15.189 6.289 3.860 1.00 0.00 C ATOM 232 OD1 ASP A 15 -15.956 7.154 4.328 1.00 0.00 O ATOM 233 OD2 ASP A 15 -13.977 6.258 4.171 1.00 0.00 O ATOM 0 H ASP A 15 -16.724 3.830 1.078 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.295 6.668 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.774 4.989 3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.170 4.333 2.995 1.00 0.00 H new ATOM 238 N GLY A 16 -13.974 4.714 0.302 1.00 0.00 N ATOM 239 CA GLY A 16 -12.656 4.664 -0.248 1.00 0.00 C ATOM 240 C GLY A 16 -11.893 3.605 0.454 1.00 0.00 C ATOM 241 O GLY A 16 -12.360 2.470 0.537 1.00 0.00 O ATOM 0 H GLY A 16 -14.522 3.864 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.699 4.454 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.160 5.628 -0.132 1.00 0.00 H new ATOM 245 N LEU A 17 -10.752 3.930 0.999 1.00 0.00 N ATOM 246 CA LEU A 17 -10.016 2.944 1.757 1.00 0.00 C ATOM 247 C LEU A 17 -10.189 3.235 3.201 1.00 0.00 C ATOM 248 O LEU A 17 -10.544 2.349 3.977 1.00 0.00 O ATOM 249 CB LEU A 17 -8.525 2.948 1.465 1.00 0.00 C ATOM 250 CG LEU A 17 -8.115 3.009 0.025 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.624 2.857 -0.092 1.00 0.00 C ATOM 252 CD2 LEU A 17 -8.844 1.993 -0.832 1.00 0.00 C ATOM 0 H LEU A 17 -10.315 4.850 0.937 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.410 1.968 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.081 3.800 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.091 2.049 1.903 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.401 3.988 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.335 2.903 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.132 3.661 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.322 1.897 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.509 2.081 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.631 0.989 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.917 2.178 -0.782 1.00 0.00 H new ATOM 264 N GLY A 18 -9.951 4.483 3.548 1.00 0.00 N ATOM 265 CA GLY A 18 -10.008 4.908 4.916 1.00 0.00 C ATOM 266 C GLY A 18 -8.797 4.434 5.673 1.00 0.00 C ATOM 267 O GLY A 18 -8.853 4.207 6.884 1.00 0.00 O ATOM 0 H GLY A 18 -9.714 5.223 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.068 5.995 4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.911 4.519 5.385 1.00 0.00 H new ATOM 271 N ILE A 19 -7.692 4.247 4.962 1.00 0.00 N ATOM 272 CA ILE A 19 -6.499 3.748 5.616 1.00 0.00 C ATOM 273 C ILE A 19 -5.500 4.882 5.865 1.00 0.00 C ATOM 274 O ILE A 19 -5.763 6.033 5.529 1.00 0.00 O ATOM 275 CB ILE A 19 -5.819 2.578 4.838 1.00 0.00 C ATOM 276 CG1 ILE A 19 -5.143 3.073 3.564 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.860 1.518 4.492 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.345 2.001 2.844 1.00 0.00 C ATOM 0 H ILE A 19 -7.601 4.428 3.962 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.821 3.340 6.574 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.051 2.146 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.903 3.464 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.480 3.902 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.382 0.703 3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.305 1.132 5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.638 1.961 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.893 2.425 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.562 1.626 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.007 1.181 2.564 1.00 0.00 H new ATOM 290 N SER A 20 -4.376 4.552 6.443 1.00 0.00 N ATOM 291 CA SER A 20 -3.361 5.518 6.769 1.00 0.00 C ATOM 292 C SER A 20 -2.008 4.902 6.430 1.00 0.00 C ATOM 293 O SER A 20 -1.864 3.673 6.451 1.00 0.00 O ATOM 294 CB SER A 20 -3.454 5.841 8.273 1.00 0.00 C ATOM 295 OG SER A 20 -2.648 6.953 8.639 1.00 0.00 O ATOM 0 H SER A 20 -4.137 3.595 6.703 1.00 0.00 H new ATOM 0 HA SER A 20 -3.491 6.442 6.206 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.492 6.046 8.534 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.147 4.968 8.849 1.00 0.00 H new ATOM 0 HG SER A 20 -2.740 7.122 9.600 1.00 0.00 H new ATOM 301 N ILE A 21 -1.034 5.729 6.133 1.00 0.00 N ATOM 302 CA ILE A 21 0.288 5.273 5.736 1.00 0.00 C ATOM 303 C ILE A 21 1.346 5.908 6.627 1.00 0.00 C ATOM 304 O ILE A 21 1.073 6.896 7.310 1.00 0.00 O ATOM 305 CB ILE A 21 0.582 5.654 4.247 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.587 7.195 4.036 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.401 4.979 3.297 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.944 7.854 4.178 1.00 0.00 C ATOM 0 H ILE A 21 -1.131 6.744 6.158 1.00 0.00 H new ATOM 0 HA ILE A 21 0.317 4.188 5.840 1.00 0.00 H new ATOM 0 HB ILE A 21 1.582 5.287 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.196 7.412 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.097 7.648 4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.169 5.264 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.321 3.897 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.416 5.293 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.846 8.927 4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.333 7.674 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.631 7.435 3.442 1.00 0.00 H new ATOM 320 N ILE A 22 2.533 5.361 6.626 1.00 0.00 N ATOM 321 CA ILE A 22 3.636 5.958 7.346 1.00 0.00 C ATOM 322 C ILE A 22 4.853 6.057 6.467 1.00 0.00 C ATOM 323 O ILE A 22 5.192 5.110 5.761 1.00 0.00 O ATOM 324 CB ILE A 22 3.958 5.240 8.684 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.174 5.846 9.390 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.088 3.738 8.526 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.456 5.239 10.742 1.00 0.00 C ATOM 0 H ILE A 22 2.765 4.499 6.133 1.00 0.00 H new ATOM 0 HA ILE A 22 3.321 6.965 7.620 1.00 0.00 H new ATOM 0 HB ILE A 22 3.097 5.410 9.331 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.051 5.721 8.755 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.017 6.918 9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.313 3.289 9.493 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.152 3.330 8.146 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.893 3.514 7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.331 5.719 11.181 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.595 5.388 11.394 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.646 4.172 10.629 1.00 0.00 H new ATOM 339 N GLY A 23 5.467 7.217 6.475 1.00 0.00 N ATOM 340 CA GLY A 23 6.641 7.439 5.696 1.00 0.00 C ATOM 341 C GLY A 23 7.876 7.174 6.483 1.00 0.00 C ATOM 342 O GLY A 23 8.248 7.964 7.351 1.00 0.00 O ATOM 0 H GLY A 23 5.162 8.022 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.623 6.794 4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.651 8.468 5.336 1.00 0.00 H new ATOM 346 N MET A 24 8.486 6.053 6.224 1.00 0.00 N ATOM 347 CA MET A 24 9.707 5.687 6.896 1.00 0.00 C ATOM 348 C MET A 24 10.666 4.951 5.996 1.00 0.00 C ATOM 349 O MET A 24 10.607 3.731 5.864 1.00 0.00 O ATOM 350 CB MET A 24 9.463 4.989 8.251 1.00 0.00 C ATOM 351 CG MET A 24 8.436 3.868 8.241 1.00 0.00 C ATOM 352 SD MET A 24 8.261 3.063 9.857 1.00 0.00 S ATOM 353 CE MET A 24 9.888 2.337 10.061 1.00 0.00 C ATOM 0 H MET A 24 8.156 5.367 5.545 1.00 0.00 H new ATOM 0 HA MET A 24 10.209 6.621 7.149 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.411 4.585 8.606 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.146 5.741 8.974 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.470 4.269 7.933 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.724 3.124 7.498 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.836 1.525 10.786 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.235 1.947 9.104 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.584 3.097 10.417 1.00 0.00 H new ATOM 363 N GLY A 25 11.536 5.744 5.355 1.00 0.00 N ATOM 364 CA GLY A 25 12.521 5.263 4.392 1.00 0.00 C ATOM 365 C GLY A 25 13.359 4.127 4.923 1.00 0.00 C ATOM 366 O GLY A 25 14.202 4.309 5.816 1.00 0.00 O ATOM 0 H GLY A 25 11.571 6.753 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.007 4.936 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.175 6.087 4.107 1.00 0.00 H new ATOM 488 N LEU A 35 10.815 2.256 -1.072 1.00 0.00 N ATOM 489 CA LEU A 35 9.761 2.971 -0.427 1.00 0.00 C ATOM 490 C LEU A 35 9.733 2.592 1.048 1.00 0.00 C ATOM 491 O LEU A 35 10.051 1.454 1.417 1.00 0.00 O ATOM 492 CB LEU A 35 8.449 2.579 -1.102 1.00 0.00 C ATOM 493 CG LEU A 35 8.111 1.092 -1.035 1.00 0.00 C ATOM 494 CD1 LEU A 35 7.119 0.791 0.058 1.00 0.00 C ATOM 495 CD2 LEU A 35 7.665 0.564 -2.370 1.00 0.00 C ATOM 0 HA LEU A 35 9.910 4.048 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.638 3.142 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.492 2.880 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 35 9.028 0.563 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.906 -0.278 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.536 1.090 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.197 1.343 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.433 -0.497 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.776 1.104 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.462 0.702 -3.101 1.00 0.00 H new ATOM 507 N GLY A 36 9.385 3.510 1.872 1.00 0.00 N ATOM 508 CA GLY A 36 9.271 3.208 3.252 1.00 0.00 C ATOM 509 C GLY A 36 7.883 3.433 3.714 1.00 0.00 C ATOM 510 O GLY A 36 7.647 3.780 4.857 1.00 0.00 O ATOM 0 H GLY A 36 9.174 4.475 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.557 2.171 3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.958 3.831 3.825 1.00 0.00 H new ATOM 514 N ILE A 37 6.955 3.234 2.825 1.00 0.00 N ATOM 515 CA ILE A 37 5.589 3.488 3.126 1.00 0.00 C ATOM 516 C ILE A 37 4.912 2.249 3.645 1.00 0.00 C ATOM 517 O ILE A 37 4.553 1.342 2.886 1.00 0.00 O ATOM 518 CB ILE A 37 4.819 4.046 1.922 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.532 5.296 1.366 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.388 4.375 2.344 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.530 6.486 2.287 1.00 0.00 C ATOM 0 H ILE A 37 7.128 2.893 1.879 1.00 0.00 H new ATOM 0 HA ILE A 37 5.578 4.251 3.904 1.00 0.00 H new ATOM 0 HB ILE A 37 4.788 3.298 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.565 5.035 1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.057 5.580 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.839 4.772 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.897 3.470 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.405 5.118 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.053 7.315 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.502 6.780 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.033 6.226 3.218 1.00 0.00 H new ATOM 533 N PHE A 38 4.766 2.202 4.921 1.00 0.00 N ATOM 534 CA PHE A 38 4.093 1.109 5.561 1.00 0.00 C ATOM 535 C PHE A 38 2.678 1.505 5.811 1.00 0.00 C ATOM 536 O PHE A 38 2.334 2.696 5.719 1.00 0.00 O ATOM 537 CB PHE A 38 4.757 0.733 6.885 1.00 0.00 C ATOM 538 CG PHE A 38 6.142 0.184 6.765 1.00 0.00 C ATOM 539 CD1 PHE A 38 7.235 1.025 6.767 1.00 0.00 C ATOM 540 CD2 PHE A 38 6.347 -1.179 6.670 1.00 0.00 C ATOM 541 CE1 PHE A 38 8.513 0.525 6.670 1.00 0.00 C ATOM 542 CE2 PHE A 38 7.619 -1.697 6.577 1.00 0.00 C ATOM 543 CZ PHE A 38 8.709 -0.846 6.578 1.00 0.00 C ATOM 0 H PHE A 38 5.108 2.919 5.560 1.00 0.00 H new ATOM 0 HA PHE A 38 4.144 0.239 4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.787 1.616 7.523 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.133 -0.004 7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.085 2.092 6.846 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.498 -1.847 6.669 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.359 1.196 6.665 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.765 -2.765 6.503 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.709 -1.247 6.507 1.00 0.00 H new ATOM 553 N VAL A 39 1.855 0.552 6.103 1.00 0.00 N ATOM 554 CA VAL A 39 0.506 0.834 6.429 1.00 0.00 C ATOM 555 C VAL A 39 0.458 1.253 7.893 1.00 0.00 C ATOM 556 O VAL A 39 1.046 0.601 8.757 1.00 0.00 O ATOM 557 CB VAL A 39 -0.400 -0.398 6.175 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.857 -0.066 6.452 1.00 0.00 C ATOM 559 CG2 VAL A 39 -0.229 -0.898 4.741 1.00 0.00 C ATOM 0 H VAL A 39 2.102 -0.437 6.121 1.00 0.00 H new ATOM 0 HA VAL A 39 0.130 1.637 5.796 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.097 -1.191 6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.472 -0.946 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.969 0.242 7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.176 0.744 5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.872 -1.763 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.504 -0.106 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.810 -1.182 4.576 1.00 0.00 H new ATOM 569 N LYS A 40 -0.151 2.375 8.159 1.00 0.00 N ATOM 570 CA LYS A 40 -0.295 2.835 9.516 1.00 0.00 C ATOM 571 C LYS A 40 -1.493 2.222 10.114 1.00 0.00 C ATOM 572 O LYS A 40 -1.429 1.560 11.142 1.00 0.00 O ATOM 573 CB LYS A 40 -0.461 4.343 9.594 1.00 0.00 C ATOM 574 CG LYS A 40 0.795 5.092 9.836 1.00 0.00 C ATOM 575 CD LYS A 40 1.386 4.819 11.223 1.00 0.00 C ATOM 576 CE LYS A 40 0.450 5.280 12.330 1.00 0.00 C ATOM 577 NZ LYS A 40 0.973 4.960 13.665 1.00 0.00 N ATOM 0 H LYS A 40 -0.557 2.990 7.454 1.00 0.00 H new ATOM 0 HA LYS A 40 0.612 2.552 10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.904 4.695 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.167 4.577 10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.527 4.823 9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.603 6.160 9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.582 3.752 11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.344 5.331 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.297 6.356 12.250 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.524 4.809 12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.304 5.292 14.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.095 3.931 13.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.891 5.430 13.800 1.00 0.00 H new ATOM 591 N THR A 41 -2.586 2.456 9.469 1.00 0.00 N ATOM 592 CA THR A 41 -3.847 1.994 9.944 1.00 0.00 C ATOM 593 C THR A 41 -4.690 1.640 8.744 1.00 0.00 C ATOM 594 O THR A 41 -4.380 2.045 7.619 1.00 0.00 O ATOM 595 CB THR A 41 -4.579 3.122 10.691 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.624 3.988 11.350 1.00 0.00 O ATOM 597 CG2 THR A 41 -5.507 2.558 11.754 1.00 0.00 C ATOM 0 H THR A 41 -2.630 2.976 8.593 1.00 0.00 H new ATOM 0 HA THR A 41 -3.693 1.144 10.608 1.00 0.00 H new ATOM 0 HB THR A 41 -5.157 3.680 9.954 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.101 4.703 11.821 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.012 3.376 12.267 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.248 1.912 11.284 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.927 1.981 12.474 1.00 0.00 H new ATOM 605 N VAL A 42 -5.720 0.909 8.979 1.00 0.00 N ATOM 606 CA VAL A 42 -6.686 0.569 8.000 1.00 0.00 C ATOM 607 C VAL A 42 -8.026 0.908 8.638 1.00 0.00 C ATOM 608 O VAL A 42 -8.100 0.990 9.873 1.00 0.00 O ATOM 609 CB VAL A 42 -6.635 -0.964 7.639 1.00 0.00 C ATOM 610 CG1 VAL A 42 -7.711 -1.332 6.631 1.00 0.00 C ATOM 611 CG2 VAL A 42 -5.272 -1.358 7.087 1.00 0.00 C ATOM 0 H VAL A 42 -5.920 0.515 9.898 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.511 1.108 7.069 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.815 -1.512 8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.648 -2.396 6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.693 -1.108 7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.565 -0.757 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.270 -2.421 6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.065 -0.783 6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.504 -1.152 7.833 1.00 0.00 H new ATOM 621 N THR A 43 -9.044 1.130 7.840 1.00 0.00 N ATOM 622 CA THR A 43 -10.365 1.372 8.346 1.00 0.00 C ATOM 623 C THR A 43 -10.786 0.108 9.124 1.00 0.00 C ATOM 624 O THR A 43 -10.333 -1.004 8.783 1.00 0.00 O ATOM 625 CB THR A 43 -11.342 1.662 7.167 1.00 0.00 C ATOM 626 OG1 THR A 43 -12.622 2.069 7.650 1.00 0.00 O ATOM 627 CG2 THR A 43 -11.500 0.430 6.287 1.00 0.00 C ATOM 0 H THR A 43 -8.975 1.147 6.822 1.00 0.00 H new ATOM 0 HA THR A 43 -10.387 2.242 9.002 1.00 0.00 H new ATOM 0 HB THR A 43 -10.915 2.473 6.577 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.216 2.247 6.891 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.186 0.652 5.470 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.529 0.147 5.880 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.898 -0.393 6.881 1.00 0.00 H new ATOM 664 N ALA A 47 -14.091 -2.895 3.761 1.00 0.00 N ATOM 665 CA ALA A 47 -14.020 -4.087 2.987 1.00 0.00 C ATOM 666 C ALA A 47 -12.581 -4.555 2.950 1.00 0.00 C ATOM 667 O ALA A 47 -12.262 -5.523 2.316 1.00 0.00 O ATOM 668 CB ALA A 47 -14.545 -3.849 1.588 1.00 0.00 C ATOM 0 HA ALA A 47 -14.642 -4.858 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.482 -4.773 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.584 -3.524 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.948 -3.078 1.102 1.00 0.00 H new ATOM 674 N ALA A 48 -11.726 -3.873 3.724 1.00 0.00 N ATOM 675 CA ALA A 48 -10.283 -4.134 3.731 1.00 0.00 C ATOM 676 C ALA A 48 -9.948 -5.078 4.846 1.00 0.00 C ATOM 677 O ALA A 48 -9.405 -6.143 4.616 1.00 0.00 O ATOM 678 CB ALA A 48 -9.502 -2.843 3.887 1.00 0.00 C ATOM 0 H ALA A 48 -12.015 -3.129 4.359 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.005 -4.586 2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.434 -3.062 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.734 -2.175 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.776 -2.363 4.826 1.00 0.00 H new ATOM 684 N GLN A 49 -10.321 -4.721 6.070 1.00 0.00 N ATOM 685 CA GLN A 49 -10.084 -5.619 7.168 1.00 0.00 C ATOM 686 C GLN A 49 -11.138 -6.708 7.185 1.00 0.00 C ATOM 687 O GLN A 49 -10.980 -7.747 7.834 1.00 0.00 O ATOM 688 CB GLN A 49 -9.971 -4.883 8.489 1.00 0.00 C ATOM 689 CG GLN A 49 -8.666 -4.114 8.621 1.00 0.00 C ATOM 690 CD GLN A 49 -8.453 -3.512 9.993 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.334 -3.382 10.456 1.00 0.00 O ATOM 692 NE2 GLN A 49 -9.487 -3.085 10.620 1.00 0.00 N ATOM 0 H GLN A 49 -10.775 -3.840 6.312 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.117 -6.100 7.022 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.807 -4.191 8.588 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.051 -5.599 9.307 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.836 -4.783 8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.647 -3.318 7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.415 -3.204 10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.381 -2.626 11.525 1.00 0.00 H new ATOM 701 N ARG A 50 -12.223 -6.457 6.452 1.00 0.00 N ATOM 702 CA ARG A 50 -13.227 -7.470 6.220 1.00 0.00 C ATOM 703 C ARG A 50 -12.744 -8.428 5.140 1.00 0.00 C ATOM 704 O ARG A 50 -13.155 -9.588 5.095 1.00 0.00 O ATOM 705 CB ARG A 50 -14.587 -6.860 5.881 1.00 0.00 C ATOM 706 CG ARG A 50 -15.271 -6.219 7.078 1.00 0.00 C ATOM 707 CD ARG A 50 -15.652 -7.269 8.117 1.00 0.00 C ATOM 708 NE ARG A 50 -16.223 -6.684 9.332 1.00 0.00 N ATOM 709 CZ ARG A 50 -16.349 -7.330 10.505 1.00 0.00 C ATOM 710 NH1 ARG A 50 -16.006 -8.614 10.604 1.00 0.00 N ATOM 711 NH2 ARG A 50 -16.833 -6.696 11.564 1.00 0.00 N ATOM 0 H ARG A 50 -12.420 -5.558 6.013 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.373 -8.033 7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.457 -6.110 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.235 -7.636 5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.607 -5.481 7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.164 -5.687 6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.371 -7.962 7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.769 -7.851 8.380 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.548 -5.718 9.285 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.646 -9.110 9.789 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.103 -9.101 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.110 -5.717 11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.928 -7.187 12.453 1.00 0.00 H new ATOM 725 N ASP A 51 -11.851 -7.933 4.277 1.00 0.00 N ATOM 726 CA ASP A 51 -11.187 -8.793 3.291 1.00 0.00 C ATOM 727 C ASP A 51 -10.211 -9.696 4.011 1.00 0.00 C ATOM 728 O ASP A 51 -10.333 -10.919 3.977 1.00 0.00 O ATOM 729 CB ASP A 51 -10.448 -7.971 2.239 1.00 0.00 C ATOM 730 CG ASP A 51 -9.639 -8.830 1.315 1.00 0.00 C ATOM 731 OD1 ASP A 51 -10.221 -9.446 0.397 1.00 0.00 O ATOM 732 OD2 ASP A 51 -8.414 -8.894 1.485 1.00 0.00 O ATOM 0 H ASP A 51 -11.573 -6.952 4.240 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.945 -9.384 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.168 -7.395 1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.792 -7.255 2.734 1.00 0.00 H new ATOM 737 N GLY A 52 -9.248 -9.087 4.664 1.00 0.00 N ATOM 738 CA GLY A 52 -8.347 -9.823 5.508 1.00 0.00 C ATOM 739 C GLY A 52 -7.142 -10.406 4.804 1.00 0.00 C ATOM 740 O GLY A 52 -6.359 -11.114 5.430 1.00 0.00 O ATOM 0 H GLY A 52 -9.072 -8.083 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.000 -9.165 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.899 -10.634 5.983 1.00 0.00 H new ATOM 744 N ARG A 53 -6.986 -10.170 3.518 1.00 0.00 N ATOM 745 CA ARG A 53 -5.792 -10.649 2.838 1.00 0.00 C ATOM 746 C ARG A 53 -4.726 -9.585 3.057 1.00 0.00 C ATOM 747 O ARG A 53 -3.545 -9.880 3.251 1.00 0.00 O ATOM 748 CB ARG A 53 -6.078 -10.855 1.330 1.00 0.00 C ATOM 749 CG ARG A 53 -5.124 -11.785 0.552 1.00 0.00 C ATOM 750 CD ARG A 53 -3.687 -11.288 0.510 1.00 0.00 C ATOM 751 NE ARG A 53 -2.819 -12.165 -0.285 1.00 0.00 N ATOM 752 CZ ARG A 53 -1.552 -12.491 0.022 1.00 0.00 C ATOM 753 NH1 ARG A 53 -1.055 -12.200 1.229 1.00 0.00 N ATOM 754 NH2 ARG A 53 -0.809 -13.152 -0.861 1.00 0.00 N ATOM 0 H ARG A 53 -7.649 -9.663 2.932 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.464 -11.612 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.090 -11.248 1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.065 -9.878 0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.144 -12.775 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.491 -11.896 -0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.665 -10.282 0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.298 -11.219 1.526 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.210 -12.559 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.638 -11.729 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.093 -12.449 1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.201 -13.409 -1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.153 -13.402 -0.633 1.00 0.00 H new ATOM 768 N ILE A 54 -5.171 -8.356 3.051 1.00 0.00 N ATOM 769 CA ILE A 54 -4.316 -7.222 3.287 1.00 0.00 C ATOM 770 C ILE A 54 -4.271 -6.975 4.797 1.00 0.00 C ATOM 771 O ILE A 54 -5.258 -7.251 5.505 1.00 0.00 O ATOM 772 CB ILE A 54 -4.867 -5.959 2.556 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.829 -4.829 2.561 1.00 0.00 C ATOM 774 CG2 ILE A 54 -6.176 -5.484 3.215 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.225 -3.642 1.714 1.00 0.00 C ATOM 0 H ILE A 54 -6.146 -8.111 2.881 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.316 -7.422 2.901 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.074 -6.230 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.671 -4.496 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.877 -5.220 2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.547 -4.602 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.920 -6.278 3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.988 -5.235 4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.445 -2.882 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.355 -3.960 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.161 -3.226 2.086 1.00 0.00 H new ATOM 787 N GLN A 55 -3.157 -6.514 5.305 1.00 0.00 N ATOM 788 CA GLN A 55 -3.063 -6.246 6.708 1.00 0.00 C ATOM 789 C GLN A 55 -2.533 -4.834 6.973 1.00 0.00 C ATOM 790 O GLN A 55 -2.180 -4.103 6.055 1.00 0.00 O ATOM 791 CB GLN A 55 -2.214 -7.304 7.432 1.00 0.00 C ATOM 792 CG GLN A 55 -2.793 -8.723 7.417 1.00 0.00 C ATOM 793 CD GLN A 55 -4.152 -8.845 8.099 1.00 0.00 C ATOM 794 OE1 GLN A 55 -4.401 -8.043 9.113 1.00 0.00 O flip ATOM 795 NE2 GLN A 55 -4.966 -9.684 7.730 1.00 0.00 N flip ATOM 0 H GLN A 55 -2.311 -6.319 4.769 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.072 -6.303 7.116 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.224 -7.327 6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.081 -6.994 8.468 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.885 -9.056 6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.090 -9.397 7.907 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.749 -10.293 6.941 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.861 -9.773 8.212 1.00 0.00 H new ATOM 804 N VAL A 56 -2.460 -4.479 8.246 1.00 0.00 N ATOM 805 CA VAL A 56 -2.067 -3.133 8.686 1.00 0.00 C ATOM 806 C VAL A 56 -0.562 -3.085 8.885 1.00 0.00 C ATOM 807 O VAL A 56 0.030 -2.039 9.058 1.00 0.00 O ATOM 808 CB VAL A 56 -2.747 -2.807 10.046 1.00 0.00 C ATOM 809 CG1 VAL A 56 -2.678 -1.332 10.388 1.00 0.00 C ATOM 810 CG2 VAL A 56 -4.171 -3.314 10.089 1.00 0.00 C ATOM 0 H VAL A 56 -2.672 -5.115 9.015 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.374 -2.410 7.930 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.180 -3.336 10.812 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.167 -1.157 11.346 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.635 -1.021 10.451 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.182 -0.755 9.613 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.616 -3.069 11.054 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.749 -2.844 9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.177 -4.395 9.951 1.00 0.00 H new ATOM 820 N ASN A 57 0.048 -4.226 8.840 1.00 0.00 N ATOM 821 CA ASN A 57 1.469 -4.320 9.087 1.00 0.00 C ATOM 822 C ASN A 57 2.227 -4.499 7.789 1.00 0.00 C ATOM 823 O ASN A 57 3.440 -4.717 7.786 1.00 0.00 O ATOM 824 CB ASN A 57 1.778 -5.459 10.067 1.00 0.00 C ATOM 825 CG ASN A 57 1.390 -6.831 9.552 1.00 0.00 C ATOM 826 OD1 ASN A 57 2.180 -7.507 8.900 1.00 0.00 O ATOM 827 ND2 ASN A 57 0.177 -7.258 9.840 1.00 0.00 N ATOM 0 H ASN A 57 -0.409 -5.114 8.634 1.00 0.00 H new ATOM 0 HA ASN A 57 1.799 -3.387 9.544 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.845 -5.454 10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.254 -5.271 11.004 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.130 -8.176 9.519 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.455 -6.670 10.384 1.00 0.00 H new ATOM 834 N ASP A 58 1.510 -4.382 6.691 1.00 0.00 N ATOM 835 CA ASP A 58 2.099 -4.515 5.366 1.00 0.00 C ATOM 836 C ASP A 58 2.730 -3.221 4.907 1.00 0.00 C ATOM 837 O ASP A 58 2.729 -2.202 5.626 1.00 0.00 O ATOM 838 CB ASP A 58 1.084 -4.986 4.308 1.00 0.00 C ATOM 839 CG ASP A 58 0.762 -6.465 4.368 1.00 0.00 C ATOM 840 OD1 ASP A 58 1.656 -7.287 4.042 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.385 -6.828 4.723 1.00 0.00 O ATOM 0 H ASP A 58 0.508 -4.193 6.686 1.00 0.00 H new ATOM 0 HA ASP A 58 2.869 -5.280 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.161 -4.420 4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.474 -4.751 3.318 1.00 0.00 H new ATOM 846 N GLN A 59 3.243 -3.250 3.708 1.00 0.00 N ATOM 847 CA GLN A 59 3.916 -2.136 3.131 1.00 0.00 C ATOM 848 C GLN A 59 3.398 -1.933 1.705 1.00 0.00 C ATOM 849 O GLN A 59 3.374 -2.871 0.913 1.00 0.00 O ATOM 850 CB GLN A 59 5.412 -2.416 3.139 1.00 0.00 C ATOM 851 CG GLN A 59 6.252 -1.252 2.709 1.00 0.00 C ATOM 852 CD GLN A 59 7.731 -1.533 2.740 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.174 -2.655 2.542 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.502 -0.513 2.996 1.00 0.00 N ATOM 0 H GLN A 59 3.200 -4.067 3.099 1.00 0.00 H new ATOM 0 HA GLN A 59 3.728 -1.225 3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.710 -2.714 4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.617 -3.261 2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.967 -0.962 1.698 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.038 -0.401 3.356 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.093 0.408 3.156 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.514 -0.636 3.037 1.00 0.00 H new ATOM 863 N ILE A 60 2.986 -0.722 1.388 1.00 0.00 N ATOM 864 CA ILE A 60 2.393 -0.419 0.085 1.00 0.00 C ATOM 865 C ILE A 60 3.493 -0.326 -0.974 1.00 0.00 C ATOM 866 O ILE A 60 4.263 0.621 -0.977 1.00 0.00 O ATOM 867 CB ILE A 60 1.647 0.942 0.103 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.559 0.993 1.197 1.00 0.00 C ATOM 869 CG2 ILE A 60 1.037 1.215 -1.255 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.525 -0.065 1.065 1.00 0.00 C ATOM 0 H ILE A 60 3.048 0.080 2.016 1.00 0.00 H new ATOM 0 HA ILE A 60 1.689 -1.218 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 60 2.378 1.716 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.037 0.885 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.091 1.977 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.515 2.172 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.825 1.248 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.331 0.422 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.244 0.048 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.035 0.053 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.074 -1.056 1.116 1.00 0.00 H new ATOM 882 N VAL A 61 3.550 -1.281 -1.872 1.00 0.00 N ATOM 883 CA VAL A 61 4.611 -1.295 -2.871 1.00 0.00 C ATOM 884 C VAL A 61 4.171 -0.577 -4.157 1.00 0.00 C ATOM 885 O VAL A 61 4.880 0.287 -4.683 1.00 0.00 O ATOM 886 CB VAL A 61 5.077 -2.753 -3.173 1.00 0.00 C ATOM 887 CG1 VAL A 61 6.144 -2.809 -4.249 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.569 -3.432 -1.903 1.00 0.00 C ATOM 0 H VAL A 61 2.887 -2.053 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 61 5.462 -0.751 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 61 4.209 -3.291 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.433 -3.846 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.752 -2.384 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.015 -2.238 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.890 -4.448 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.409 -2.871 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.762 -3.464 -1.171 1.00 0.00 H new ATOM 898 N GLU A 62 2.994 -0.903 -4.633 1.00 0.00 N ATOM 899 CA GLU A 62 2.476 -0.327 -5.852 1.00 0.00 C ATOM 900 C GLU A 62 0.953 -0.373 -5.860 1.00 0.00 C ATOM 901 O GLU A 62 0.350 -1.404 -6.059 1.00 0.00 O ATOM 902 CB GLU A 62 3.063 -1.054 -7.080 1.00 0.00 C ATOM 903 CG GLU A 62 2.554 -0.557 -8.419 1.00 0.00 C ATOM 904 CD GLU A 62 3.132 -1.327 -9.575 1.00 0.00 C ATOM 905 OE1 GLU A 62 4.364 -1.388 -9.696 1.00 0.00 O ATOM 906 OE2 GLU A 62 2.358 -1.867 -10.393 1.00 0.00 O ATOM 0 H GLU A 62 2.368 -1.574 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 62 2.779 0.719 -5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.148 -0.953 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.841 -2.118 -6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.467 -0.634 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.802 0.499 -8.529 1.00 0.00 H new ATOM 913 N VAL A 63 0.342 0.736 -5.587 1.00 0.00 N ATOM 914 CA VAL A 63 -1.094 0.830 -5.625 1.00 0.00 C ATOM 915 C VAL A 63 -1.567 1.338 -6.956 1.00 0.00 C ATOM 916 O VAL A 63 -1.007 2.294 -7.486 1.00 0.00 O ATOM 917 CB VAL A 63 -1.647 1.700 -4.462 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.032 2.241 -4.777 1.00 0.00 C ATOM 919 CG2 VAL A 63 -1.726 0.847 -3.239 1.00 0.00 C ATOM 0 H VAL A 63 0.816 1.602 -5.332 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.489 -0.177 -5.490 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.980 2.549 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.386 2.844 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.986 2.857 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.718 1.410 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.112 1.437 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.392 0.004 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.732 0.476 -2.989 1.00 0.00 H new ATOM 929 N ASP A 64 -2.522 0.606 -7.540 1.00 0.00 N ATOM 930 CA ASP A 64 -3.247 1.009 -8.774 1.00 0.00 C ATOM 931 C ASP A 64 -2.301 1.071 -9.993 1.00 0.00 C ATOM 932 O ASP A 64 -2.655 1.534 -11.074 1.00 0.00 O ATOM 933 CB ASP A 64 -3.991 2.358 -8.523 1.00 0.00 C ATOM 934 CG ASP A 64 -4.886 2.813 -9.659 1.00 0.00 C ATOM 935 OD1 ASP A 64 -5.862 2.112 -9.982 1.00 0.00 O ATOM 936 OD2 ASP A 64 -4.649 3.908 -10.218 1.00 0.00 O ATOM 0 H ASP A 64 -2.825 -0.296 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.993 0.251 -9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.595 2.261 -7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.251 3.134 -8.330 1.00 0.00 H new ATOM 941 N GLY A 65 -1.109 0.539 -9.807 1.00 0.00 N ATOM 942 CA GLY A 65 -0.107 0.550 -10.842 1.00 0.00 C ATOM 943 C GLY A 65 0.610 1.883 -10.927 1.00 0.00 C ATOM 944 O GLY A 65 1.297 2.169 -11.909 1.00 0.00 O ATOM 0 H GLY A 65 -0.814 0.091 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.619 -0.240 -10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.575 0.329 -11.801 1.00 0.00 H new ATOM 948 N ILE A 66 0.466 2.701 -9.889 1.00 0.00 N ATOM 949 CA ILE A 66 1.063 4.028 -9.871 1.00 0.00 C ATOM 950 C ILE A 66 2.581 3.940 -9.593 1.00 0.00 C ATOM 951 O ILE A 66 3.342 4.833 -9.940 1.00 0.00 O ATOM 952 CB ILE A 66 0.347 4.940 -8.815 1.00 0.00 C ATOM 953 CG1 ILE A 66 0.405 6.396 -9.271 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.989 4.790 -7.430 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.374 7.340 -8.400 1.00 0.00 C ATOM 0 H ILE A 66 -0.061 2.465 -9.048 1.00 0.00 H new ATOM 0 HA ILE A 66 0.928 4.481 -10.853 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.694 4.627 -8.736 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.446 6.717 -9.297 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.026 6.462 -10.291 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.473 5.434 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.912 3.753 -7.104 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.039 5.077 -7.483 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.283 8.354 -8.790 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.424 7.047 -8.393 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.019 7.305 -7.384 1.00 0.00 H new ATOM 967 N SER A 67 2.979 2.808 -9.014 1.00 0.00 N ATOM 968 CA SER A 67 4.355 2.522 -8.599 1.00 0.00 C ATOM 969 C SER A 67 5.007 3.649 -7.802 1.00 0.00 C ATOM 970 O SER A 67 5.833 4.410 -8.294 1.00 0.00 O ATOM 971 CB SER A 67 5.229 1.957 -9.738 1.00 0.00 C ATOM 972 OG SER A 67 5.108 2.721 -10.929 1.00 0.00 O ATOM 0 H SER A 67 2.336 2.042 -8.814 1.00 0.00 H new ATOM 0 HA SER A 67 4.276 1.706 -7.881 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.272 1.941 -9.421 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.941 0.925 -9.938 1.00 0.00 H new ATOM 0 HG SER A 67 5.129 3.676 -10.709 1.00 0.00 H new ATOM 978 N LEU A 68 4.612 3.731 -6.561 1.00 0.00 N ATOM 979 CA LEU A 68 5.045 4.747 -5.650 1.00 0.00 C ATOM 980 C LEU A 68 6.329 4.324 -4.909 1.00 0.00 C ATOM 981 O LEU A 68 6.611 4.749 -3.788 1.00 0.00 O ATOM 982 CB LEU A 68 3.857 5.132 -4.704 1.00 0.00 C ATOM 983 CG LEU A 68 3.225 4.105 -3.694 1.00 0.00 C ATOM 984 CD1 LEU A 68 2.825 2.777 -4.280 1.00 0.00 C ATOM 985 CD2 LEU A 68 3.991 3.965 -2.385 1.00 0.00 C ATOM 0 H LEU A 68 3.958 3.068 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 68 5.323 5.648 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.189 5.987 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.047 5.481 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 68 2.278 4.581 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.401 2.147 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.082 2.933 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.702 2.288 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.489 3.239 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.006 3.626 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.027 4.930 -1.879 1.00 0.00 H new ATOM 997 N VAL A 69 7.136 3.562 -5.601 1.00 0.00 N ATOM 998 CA VAL A 69 8.369 3.037 -5.071 1.00 0.00 C ATOM 999 C VAL A 69 9.393 4.166 -4.880 1.00 0.00 C ATOM 1000 O VAL A 69 10.037 4.607 -5.832 1.00 0.00 O ATOM 1001 CB VAL A 69 8.959 1.932 -5.998 1.00 0.00 C ATOM 1002 CG1 VAL A 69 10.217 1.316 -5.399 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.920 0.853 -6.293 1.00 0.00 C ATOM 0 H VAL A 69 6.952 3.284 -6.565 1.00 0.00 H new ATOM 0 HA VAL A 69 8.150 2.586 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 69 9.235 2.408 -6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.602 0.549 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.972 2.091 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.979 0.867 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.358 0.094 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.600 0.391 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.060 1.302 -6.789 1.00 0.00 H new ATOM 1013 N GLY A 70 9.460 4.682 -3.678 1.00 0.00 N ATOM 1014 CA GLY A 70 10.441 5.691 -3.360 1.00 0.00 C ATOM 1015 C GLY A 70 9.840 7.066 -3.248 1.00 0.00 C ATOM 1016 O GLY A 70 10.542 8.068 -3.381 1.00 0.00 O ATOM 0 H GLY A 70 8.848 4.421 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.930 5.434 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.213 5.697 -4.129 1.00 0.00 H new ATOM 1020 N VAL A 71 8.544 7.132 -3.047 1.00 0.00 N ATOM 1021 CA VAL A 71 7.884 8.414 -2.872 1.00 0.00 C ATOM 1022 C VAL A 71 7.799 8.745 -1.397 1.00 0.00 C ATOM 1023 O VAL A 71 8.222 7.946 -0.545 1.00 0.00 O ATOM 1024 CB VAL A 71 6.453 8.429 -3.460 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.475 8.080 -4.936 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.536 7.491 -2.677 1.00 0.00 C ATOM 0 H VAL A 71 7.926 6.322 -3.000 1.00 0.00 H new ATOM 0 HA VAL A 71 8.479 9.154 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 71 6.052 9.438 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.458 8.096 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.083 8.808 -5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.899 7.085 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.535 7.517 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.926 6.475 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.492 7.811 -1.636 1.00 0.00 H new ATOM 1036 N THR A 72 7.244 9.875 -1.098 1.00 0.00 N ATOM 1037 CA THR A 72 7.062 10.281 0.246 1.00 0.00 C ATOM 1038 C THR A 72 5.694 9.904 0.723 1.00 0.00 C ATOM 1039 O THR A 72 4.822 9.485 -0.072 1.00 0.00 O ATOM 1040 CB THR A 72 7.236 11.788 0.385 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.516 12.430 -0.691 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.700 12.164 0.327 1.00 0.00 C ATOM 0 H THR A 72 6.904 10.543 -1.790 1.00 0.00 H new ATOM 0 HA THR A 72 7.815 9.776 0.851 1.00 0.00 H new ATOM 0 HB THR A 72 6.844 12.115 1.348 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.959 13.273 -0.924 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.802 13.244 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.235 11.671 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.119 11.848 -0.628 1.00 0.00 H new ATOM 1050 N GLN A 73 5.501 10.070 1.992 1.00 0.00 N ATOM 1051 CA GLN A 73 4.255 9.807 2.638 1.00 0.00 C ATOM 1052 C GLN A 73 3.117 10.633 2.040 1.00 0.00 C ATOM 1053 O GLN A 73 2.020 10.152 1.918 1.00 0.00 O ATOM 1054 CB GLN A 73 4.373 10.014 4.168 1.00 0.00 C ATOM 1055 CG GLN A 73 4.473 11.433 4.675 1.00 0.00 C ATOM 1056 CD GLN A 73 5.599 12.211 4.021 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.395 12.943 3.070 1.00 0.00 O ATOM 1058 NE2 GLN A 73 6.780 11.931 4.399 1.00 0.00 N ATOM 0 H GLN A 73 6.227 10.402 2.626 1.00 0.00 H new ATOM 0 HA GLN A 73 4.006 8.760 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.506 9.549 4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.252 9.471 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.529 11.947 4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.626 11.419 5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.927 11.315 5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.581 12.322 3.903 1.00 0.00 H new ATOM 1067 N ASN A 74 3.408 11.849 1.618 1.00 0.00 N ATOM 1068 CA ASN A 74 2.385 12.712 1.060 1.00 0.00 C ATOM 1069 C ASN A 74 1.926 12.217 -0.296 1.00 0.00 C ATOM 1070 O ASN A 74 0.733 12.278 -0.610 1.00 0.00 O ATOM 1071 CB ASN A 74 2.804 14.197 1.001 1.00 0.00 C ATOM 1072 CG ASN A 74 4.012 14.474 0.141 1.00 0.00 C ATOM 1073 OD1 ASN A 74 3.904 14.676 -1.069 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.153 14.532 0.751 1.00 0.00 N ATOM 0 H ASN A 74 4.341 12.260 1.651 1.00 0.00 H new ATOM 0 HA ASN A 74 1.541 12.662 1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.965 14.783 0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.008 14.544 2.014 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.001 14.751 0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.204 14.359 1.755 1.00 0.00 H new ATOM 1081 N PHE A 75 2.856 11.687 -1.091 1.00 0.00 N ATOM 1082 CA PHE A 75 2.497 11.134 -2.378 1.00 0.00 C ATOM 1083 C PHE A 75 1.650 9.906 -2.142 1.00 0.00 C ATOM 1084 O PHE A 75 0.562 9.775 -2.696 1.00 0.00 O ATOM 1085 CB PHE A 75 3.733 10.759 -3.200 1.00 0.00 C ATOM 1086 CG PHE A 75 3.421 10.292 -4.621 1.00 0.00 C ATOM 1087 CD1 PHE A 75 3.080 8.971 -4.887 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.485 11.174 -5.682 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.812 8.549 -6.170 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.215 10.755 -6.969 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.879 9.440 -7.212 1.00 0.00 C ATOM 0 H PHE A 75 3.849 11.633 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 75 1.947 11.885 -2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.398 11.622 -3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.275 9.969 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.024 8.263 -4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.750 12.205 -5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.549 7.518 -6.356 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.267 11.458 -7.787 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.669 9.112 -8.219 1.00 0.00 H new ATOM 1101 N ALA A 76 2.138 9.032 -1.272 1.00 0.00 N ATOM 1102 CA ALA A 76 1.444 7.801 -0.952 1.00 0.00 C ATOM 1103 C ALA A 76 0.057 8.069 -0.355 1.00 0.00 C ATOM 1104 O ALA A 76 -0.924 7.486 -0.789 1.00 0.00 O ATOM 1105 CB ALA A 76 2.276 6.949 -0.024 1.00 0.00 C ATOM 0 H ALA A 76 3.019 9.158 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 76 1.295 7.254 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.738 6.029 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.223 6.706 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.468 7.497 0.899 1.00 0.00 H new ATOM 1111 N ALA A 77 -0.024 9.003 0.588 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.297 9.366 1.239 1.00 0.00 C ATOM 1113 C ALA A 77 -2.279 9.970 0.243 1.00 0.00 C ATOM 1114 O ALA A 77 -3.463 10.078 0.517 1.00 0.00 O ATOM 1115 CB ALA A 77 -1.066 10.328 2.393 1.00 0.00 C ATOM 0 H ALA A 77 0.780 9.531 0.927 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.731 8.447 1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.021 10.579 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.417 9.859 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.594 11.237 2.020 1.00 0.00 H new ATOM 1121 N THR A 78 -1.767 10.385 -0.886 1.00 0.00 N ATOM 1122 CA THR A 78 -2.571 10.876 -1.957 1.00 0.00 C ATOM 1123 C THR A 78 -3.045 9.707 -2.821 1.00 0.00 C ATOM 1124 O THR A 78 -4.217 9.621 -3.147 1.00 0.00 O ATOM 1125 CB THR A 78 -1.782 11.907 -2.786 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.473 13.047 -1.951 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.556 12.348 -4.018 1.00 0.00 C ATOM 0 H THR A 78 -0.766 10.389 -1.083 1.00 0.00 H new ATOM 0 HA THR A 78 -3.449 11.380 -1.553 1.00 0.00 H new ATOM 0 HB THR A 78 -0.860 11.440 -3.134 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.664 12.861 -1.430 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.967 13.075 -4.577 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.759 11.483 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.498 12.803 -3.712 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.144 8.790 -3.136 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.480 7.601 -3.930 1.00 0.00 C ATOM 1137 C VAL A 79 -3.575 6.806 -3.241 1.00 0.00 C ATOM 1138 O VAL A 79 -4.611 6.545 -3.824 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.262 6.676 -4.147 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -1.627 5.500 -5.035 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.115 7.448 -4.730 1.00 0.00 C ATOM 0 H VAL A 79 -1.165 8.840 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.818 7.957 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.954 6.282 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.753 4.863 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.425 4.924 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.965 5.867 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.735 6.782 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.412 7.873 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.167 8.251 -4.049 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.359 6.512 -1.969 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.318 5.767 -1.141 1.00 0.00 C ATOM 1153 C LEU A 80 -5.587 6.611 -0.827 1.00 0.00 C ATOM 1154 O LEU A 80 -6.466 6.188 -0.079 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.656 5.289 0.182 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.612 4.126 0.118 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.177 2.914 -0.567 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.306 4.527 -0.538 1.00 0.00 C ATOM 0 H LEU A 80 -2.511 6.781 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.627 4.895 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.166 6.150 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.453 4.982 0.859 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.389 3.879 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.424 2.127 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.052 2.562 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.466 3.173 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.628 3.674 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.497 4.852 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.852 5.344 0.024 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.644 7.797 -1.383 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.779 8.689 -1.245 1.00 0.00 C ATOM 1172 C ARG A 81 -7.452 8.895 -2.626 1.00 0.00 C ATOM 1173 O ARG A 81 -8.596 9.325 -2.722 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.291 10.010 -0.604 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.332 11.081 -0.355 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.348 12.135 -1.452 1.00 0.00 C ATOM 1177 NE ARG A 81 -8.415 13.123 -1.228 1.00 0.00 N ATOM 1178 CZ ARG A 81 -8.243 14.456 -1.108 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -7.017 14.991 -1.082 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -9.304 15.246 -0.980 1.00 0.00 N ATOM 0 H ARG A 81 -4.891 8.180 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.539 8.263 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.818 9.770 0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.518 10.432 -1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.316 10.618 -0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.135 11.560 0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.383 12.640 -1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.492 11.654 -2.419 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.369 12.769 -1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.196 14.389 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.903 16.000 -0.991 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.241 14.844 -0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.181 16.254 -0.889 1.00 0.00 H new ATOM 1194 N ASN A 82 -6.718 8.569 -3.681 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.212 8.658 -5.072 1.00 0.00 C ATOM 1196 C ASN A 82 -7.816 7.342 -5.499 1.00 0.00 C ATOM 1197 O ASN A 82 -8.415 7.231 -6.574 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.082 9.031 -6.067 1.00 0.00 C ATOM 1199 CG ASN A 82 -5.692 10.509 -6.084 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -5.770 11.171 -4.962 1.00 0.00 O flip ATOM 1201 ND2 ASN A 82 -5.279 11.037 -7.115 1.00 0.00 N flip ATOM 0 H ASN A 82 -5.758 8.233 -3.609 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.966 9.445 -5.091 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.198 8.441 -5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.394 8.742 -7.071 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.228 10.497 -7.979 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.988 12.014 -7.106 1.00 0.00 H new ATOM 1208 N THR A 83 -7.657 6.365 -4.658 1.00 0.00 N ATOM 1209 CA THR A 83 -8.106 5.028 -4.889 1.00 0.00 C ATOM 1210 C THR A 83 -9.624 4.906 -4.989 1.00 0.00 C ATOM 1211 O THR A 83 -10.384 5.790 -4.560 1.00 0.00 O ATOM 1212 CB THR A 83 -7.576 4.146 -3.778 1.00 0.00 C ATOM 1213 OG1 THR A 83 -7.653 4.889 -2.553 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.139 3.754 -4.045 1.00 0.00 C ATOM 0 H THR A 83 -7.193 6.484 -3.758 1.00 0.00 H new ATOM 0 HA THR A 83 -7.720 4.709 -5.857 1.00 0.00 H new ATOM 0 HB THR A 83 -8.168 3.233 -3.717 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.592 4.997 -2.295 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.778 3.121 -3.235 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.080 3.208 -4.986 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.523 4.651 -4.107 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.037 3.821 -5.558 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.417 3.514 -5.795 1.00 0.00 C ATOM 1224 C LYS A 84 -11.815 2.336 -4.952 1.00 0.00 C ATOM 1225 O LYS A 84 -11.148 2.012 -3.967 1.00 0.00 O ATOM 1226 CB LYS A 84 -11.585 3.145 -7.272 1.00 0.00 C ATOM 1227 CG LYS A 84 -11.261 4.262 -8.215 1.00 0.00 C ATOM 1228 CD LYS A 84 -12.290 5.343 -8.105 1.00 0.00 C ATOM 1229 CE LYS A 84 -11.887 6.576 -8.903 1.00 0.00 C ATOM 1230 NZ LYS A 84 -10.635 7.195 -8.389 1.00 0.00 N ATOM 0 H LYS A 84 -9.401 3.094 -5.885 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.040 4.373 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.944 2.293 -7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.613 2.825 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.274 4.665 -7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.225 3.886 -9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.250 4.972 -8.465 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.425 5.614 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.751 6.301 -9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.693 7.309 -8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.788 8.212 -8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.369 6.745 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.871 7.061 -9.082 1.00 0.00 H new ATOM 1244 N GLY A 85 -12.925 1.747 -5.314 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.340 0.516 -4.730 1.00 0.00 C ATOM 1246 C GLY A 85 -12.384 -0.578 -5.123 1.00 0.00 C ATOM 1247 O GLY A 85 -11.742 -1.174 -4.279 1.00 0.00 O ATOM 0 H GLY A 85 -13.561 2.114 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.374 0.610 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.349 0.267 -5.060 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.270 -0.820 -6.402 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.333 -1.808 -6.906 1.00 0.00 C ATOM 1253 C ASN A 86 -9.929 -1.258 -6.872 1.00 0.00 C ATOM 1254 O ASN A 86 -9.575 -0.360 -7.642 1.00 0.00 O ATOM 1255 CB ASN A 86 -11.693 -2.296 -8.317 1.00 0.00 C ATOM 1256 CG ASN A 86 -12.870 -3.255 -8.334 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.027 -2.853 -8.442 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -12.583 -4.531 -8.241 1.00 0.00 N ATOM 0 H ASN A 86 -12.815 -0.347 -7.123 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.394 -2.677 -6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.924 -1.435 -8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -10.825 -2.787 -8.757 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -13.331 -5.224 -8.257 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -11.612 -4.830 -8.153 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.150 -1.749 -5.949 1.00 0.00 N ATOM 1266 CA VAL A 87 -7.800 -1.287 -5.773 1.00 0.00 C ATOM 1267 C VAL A 87 -6.868 -2.433 -5.917 1.00 0.00 C ATOM 1268 O VAL A 87 -7.081 -3.469 -5.333 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.552 -0.736 -4.370 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.307 0.128 -4.341 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.750 -0.039 -3.804 1.00 0.00 C ATOM 0 H VAL A 87 -9.432 -2.481 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.642 -0.507 -6.517 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.374 -1.587 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.152 0.509 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.444 -0.467 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.428 0.964 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.517 0.332 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.022 0.797 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.584 -0.738 -3.745 1.00 0.00 H new ATOM 1281 N ARG A 88 -5.849 -2.261 -6.677 1.00 0.00 N ATOM 1282 CA ARG A 88 -4.833 -3.261 -6.772 1.00 0.00 C ATOM 1283 C ARG A 88 -3.652 -2.833 -5.953 1.00 0.00 C ATOM 1284 O ARG A 88 -2.863 -1.972 -6.367 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.471 -3.536 -8.222 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.619 -4.165 -8.984 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.328 -4.293 -10.454 1.00 0.00 C ATOM 1288 NE ARG A 88 -6.453 -4.896 -11.172 1.00 0.00 N ATOM 1289 CZ ARG A 88 -6.881 -4.545 -12.392 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -6.256 -3.582 -13.083 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -7.931 -5.173 -12.919 1.00 0.00 N ATOM 0 H ARG A 88 -5.690 -1.432 -7.250 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.202 -4.205 -6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.182 -2.603 -8.707 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.605 -4.197 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.829 -5.151 -8.571 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.517 -3.563 -8.845 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.114 -3.309 -10.871 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.435 -4.901 -10.598 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.955 -5.649 -10.702 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.447 -3.109 -12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.590 -3.322 -14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.399 -5.912 -12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.267 -4.915 -13.847 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.603 -3.344 -4.744 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.517 -3.076 -3.846 1.00 0.00 C ATOM 1307 C PHE A 89 -1.451 -4.083 -4.115 1.00 0.00 C ATOM 1308 O PHE A 89 -1.583 -5.231 -3.732 1.00 0.00 O ATOM 1309 CB PHE A 89 -2.928 -3.230 -2.372 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.022 -2.337 -1.879 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.726 -1.111 -1.330 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.342 -2.735 -1.939 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.718 -0.293 -0.849 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.343 -1.917 -1.460 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.029 -0.691 -0.916 1.00 0.00 C ATOM 0 H PHE A 89 -4.321 -3.959 -4.360 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.187 -2.050 -4.008 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.235 -4.263 -2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.046 -3.060 -1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.697 -0.787 -1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.593 -3.695 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.466 0.664 -0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.373 -2.237 -1.511 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.811 -0.046 -0.544 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.438 -3.707 -4.793 1.00 0.00 N ATOM 1326 CA VAL A 90 0.624 -4.618 -5.036 1.00 0.00 C ATOM 1327 C VAL A 90 1.598 -4.435 -3.910 1.00 0.00 C ATOM 1328 O VAL A 90 2.380 -3.512 -3.892 1.00 0.00 O ATOM 1329 CB VAL A 90 1.312 -4.401 -6.410 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.424 -5.423 -6.638 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.293 -4.459 -7.542 1.00 0.00 C ATOM 0 H VAL A 90 -0.315 -2.777 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 90 0.236 -5.636 -5.077 1.00 0.00 H new ATOM 0 HB VAL A 90 1.762 -3.408 -6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.888 -5.246 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.175 -5.325 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.004 -6.429 -6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.799 -4.304 -8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.194 -5.434 -7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.456 -3.680 -7.398 1.00 0.00 H new ATOM 1341 N ILE A 91 1.391 -5.197 -2.910 1.00 0.00 N ATOM 1342 CA ILE A 91 2.186 -5.223 -1.736 1.00 0.00 C ATOM 1343 C ILE A 91 3.060 -6.456 -1.785 1.00 0.00 C ATOM 1344 O ILE A 91 2.752 -7.399 -2.483 1.00 0.00 O ATOM 1345 CB ILE A 91 1.222 -5.241 -0.523 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.519 -3.887 -0.438 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.900 -5.614 0.799 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.568 -3.829 0.557 1.00 0.00 C ATOM 0 H ILE A 91 0.618 -5.861 -2.881 1.00 0.00 H new ATOM 0 HA ILE A 91 2.837 -4.353 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 91 0.491 -6.032 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.257 -3.122 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.112 -3.640 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.162 -5.605 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.335 -6.610 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.686 -4.892 1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.013 -2.834 0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.329 -4.568 0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.166 -4.042 1.548 1.00 0.00 H new ATOM 1360 N GLY A 92 4.142 -6.435 -1.094 1.00 0.00 N ATOM 1361 CA GLY A 92 4.989 -7.557 -1.103 1.00 0.00 C ATOM 1362 C GLY A 92 5.377 -7.941 0.281 1.00 0.00 C ATOM 1363 O GLY A 92 5.170 -7.169 1.226 1.00 0.00 O ATOM 0 H GLY A 92 4.456 -5.653 -0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.486 -8.393 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.882 -7.338 -1.688 1.00 0.00 H new ATOM 1367 N ARG A 93 5.930 -9.100 0.415 1.00 0.00 N ATOM 1368 CA ARG A 93 6.349 -9.603 1.681 1.00 0.00 C ATOM 1369 C ARG A 93 7.631 -10.369 1.528 1.00 0.00 C ATOM 1370 O ARG A 93 7.814 -11.054 0.527 1.00 0.00 O ATOM 1371 CB ARG A 93 5.330 -10.566 2.198 1.00 0.00 C ATOM 1372 CG ARG A 93 5.605 -10.932 3.620 1.00 0.00 C ATOM 1373 CD ARG A 93 4.927 -12.179 3.974 1.00 0.00 C ATOM 1374 NE ARG A 93 5.482 -13.316 3.213 1.00 0.00 N ATOM 1375 CZ ARG A 93 4.859 -14.477 2.991 1.00 0.00 C ATOM 1376 NH1 ARG A 93 3.670 -14.722 3.540 1.00 0.00 N ATOM 1377 NH2 ARG A 93 5.432 -15.397 2.223 1.00 0.00 N ATOM 0 H ARG A 93 6.106 -9.734 -0.364 1.00 0.00 H new ATOM 0 HA ARG A 93 6.477 -8.759 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.336 -10.125 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.330 -11.465 1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.679 -11.041 3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.270 -10.131 4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.034 -12.365 5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.860 -12.087 3.772 1.00 0.00 H new ATOM 0 HE ARG A 93 6.419 -13.206 2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.229 -14.021 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.201 -15.611 3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.345 -15.216 1.805 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.959 -16.284 2.051 1.00 0.00 H new ATOM 1391 N GLU A 94 8.520 -10.235 2.477 1.00 0.00 N ATOM 1392 CA GLU A 94 9.675 -11.078 2.525 1.00 0.00 C ATOM 1393 C GLU A 94 9.314 -12.237 3.447 1.00 0.00 C ATOM 1394 O GLU A 94 9.693 -12.213 4.625 1.00 0.00 O ATOM 1395 CB GLU A 94 10.901 -10.323 3.069 1.00 0.00 C ATOM 1396 CG GLU A 94 11.325 -9.105 2.266 1.00 0.00 C ATOM 1397 CD GLU A 94 12.533 -8.422 2.865 1.00 0.00 C ATOM 1398 OE1 GLU A 94 13.674 -8.782 2.517 1.00 0.00 O ATOM 1399 OE2 GLU A 94 12.371 -7.524 3.718 1.00 0.00 O ATOM 0 H GLU A 94 8.462 -9.546 3.227 1.00 0.00 H new ATOM 0 HA GLU A 94 9.942 -11.423 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.689 -10.008 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.741 -11.016 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.549 -9.406 1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.497 -8.398 2.216 1.00 0.00 H new