USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 595 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 Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0725 (180deg=-0.486) USER MOD Single : A 21 ASN : amide:sc= -3.38! C(o=-3.4!,f=-7.8!) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0.444 (180deg=-0.0874!) USER MOD Single : A 27 SER OG : rot 180:sc=0.000589 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 120:sc= -2.15 USER MOD Single : A 40 SER OG : rot 43:sc= 0.0366 USER MOD Single : A 42 THR OG1 : rot -160:sc= 0.0491 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 171:sc= -9.07! (180deg=-9.65!) USER MOD Single : A 55 THR OG1 : rot -23:sc= -2.03! USER MOD Single : A 62 SER OG : rot 180:sc= 0.052 USER MOD Single : A 64 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.21) USER MOD Single : A 67 THR OG1 : rot 77:sc= 0.329 USER MOD Single : A 73 ASN : amide:sc= -3.7! C(o=-3.7!,f=-5!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 1.01 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.554 -10.437 -0.158 1.00 16.66 N ATOM 86 CA ASP A 7 -2.189 -11.778 -0.291 1.00 16.66 C ATOM 87 C ASP A 7 -3.175 -11.986 0.856 1.00 16.66 C ATOM 88 O ASP A 7 -4.294 -12.419 0.659 1.00 16.66 O ATOM 89 CB ASP A 7 -1.111 -12.863 -0.242 1.00 16.66 C ATOM 90 CG ASP A 7 -0.238 -12.774 -1.495 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.625 -12.069 -2.413 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.801 -13.413 -1.517 1.00 50.00 O ATOM 0 HA ASP A 7 -2.718 -11.838 -1.242 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.498 -12.741 0.651 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.574 -13.848 -0.178 1.00 16.66 H new ATOM 97 N LYS A 8 -2.769 -11.678 2.054 1.00 16.66 N ATOM 98 CA LYS A 8 -3.677 -11.852 3.221 1.00 16.66 C ATOM 99 C LYS A 8 -5.030 -11.213 2.917 1.00 16.66 C ATOM 100 O LYS A 8 -6.066 -11.713 3.307 1.00 16.66 O ATOM 101 CB LYS A 8 -3.060 -11.179 4.446 1.00 16.66 C ATOM 102 CG LYS A 8 -2.022 -12.113 5.061 1.00 16.66 C ATOM 103 CD LYS A 8 -1.591 -11.570 6.425 1.00 16.66 C ATOM 104 CE LYS A 8 -2.584 -12.030 7.495 1.00 50.00 C ATOM 105 NZ LYS A 8 -2.280 -11.342 8.782 1.00 50.00 N ATOM 0 H LYS A 8 -1.844 -11.312 2.277 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.816 -12.915 3.418 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.595 -10.235 4.162 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.835 -10.945 5.176 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.438 -13.114 5.171 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -1.158 -12.198 4.402 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -0.589 -11.923 6.668 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -1.548 -10.481 6.398 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -3.603 -11.805 7.182 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -2.522 -13.111 7.624 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 -2.954 -11.654 9.510 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 -1.313 -11.578 9.082 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 -2.361 -10.313 8.653 1.00 50.00 H new ATOM 119 N ALA A 9 -5.030 -10.114 2.219 1.00 16.66 N ATOM 120 CA ALA A 9 -6.319 -9.450 1.887 1.00 16.66 C ATOM 121 C ALA A 9 -7.186 -10.429 1.104 1.00 16.66 C ATOM 122 O ALA A 9 -8.359 -10.594 1.374 1.00 16.66 O ATOM 123 CB ALA A 9 -6.054 -8.204 1.041 1.00 16.66 C ATOM 0 H ALA A 9 -4.195 -9.647 1.865 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.830 -9.153 2.803 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -7.000 -7.720 0.800 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.425 -7.512 1.600 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.548 -8.491 0.119 1.00 16.66 H new ATOM 129 N GLU A 10 -6.612 -11.088 0.141 1.00 16.66 N ATOM 130 CA GLU A 10 -7.397 -12.069 -0.658 1.00 16.66 C ATOM 131 C GLU A 10 -7.761 -13.257 0.231 1.00 16.66 C ATOM 132 O GLU A 10 -8.858 -13.775 0.177 1.00 16.66 O ATOM 133 CB GLU A 10 -6.560 -12.552 -1.843 1.00 16.66 C ATOM 134 CG GLU A 10 -6.032 -11.344 -2.620 1.00 16.66 C ATOM 135 CD GLU A 10 -5.391 -11.818 -3.926 1.00 16.66 C ATOM 136 OE1 GLU A 10 -5.093 -12.997 -4.023 1.00 16.66 O ATOM 137 OE2 GLU A 10 -5.208 -10.994 -4.807 1.00 16.66 O ATOM 0 H GLU A 10 -5.633 -10.991 -0.129 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.306 -11.597 -1.031 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.729 -13.163 -1.490 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.164 -13.182 -2.496 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.846 -10.651 -2.833 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.301 -10.803 -2.019 1.00 16.66 H new ATOM 144 N ARG A 11 -6.847 -13.688 1.054 1.00 16.66 N ATOM 145 CA ARG A 11 -7.136 -14.838 1.954 1.00 16.66 C ATOM 146 C ARG A 11 -8.176 -14.419 2.992 1.00 16.66 C ATOM 147 O ARG A 11 -9.068 -15.170 3.333 1.00 16.66 O ATOM 148 CB ARG A 11 -5.850 -15.259 2.664 1.00 16.66 C ATOM 149 CG ARG A 11 -4.931 -15.974 1.673 1.00 16.66 C ATOM 150 CD ARG A 11 -3.770 -16.622 2.427 1.00 50.00 C ATOM 151 NE ARG A 11 -3.105 -15.592 3.266 1.00 50.00 N ATOM 152 CZ ARG A 11 -1.898 -15.793 3.719 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.008 -16.383 2.968 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.580 -15.405 4.923 1.00 50.00 N ATOM 0 H ARG A 11 -5.911 -13.293 1.142 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.521 -15.674 1.370 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.347 -14.385 3.077 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -6.083 -15.918 3.501 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.490 -16.732 1.125 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.550 -15.265 0.938 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -4.135 -17.438 3.051 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -3.057 -17.052 1.723 1.00 50.00 H new ATOM 0 HE ARG A 11 -3.594 -14.725 3.489 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -1.256 -16.687 2.027 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -0.065 -16.540 3.323 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -2.275 -14.944 5.511 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -0.636 -15.562 5.277 1.00 50.00 H new ATOM 168 N GLU A 12 -8.065 -13.224 3.494 1.00 16.66 N ATOM 169 CA GLU A 12 -9.041 -12.745 4.509 1.00 16.66 C ATOM 170 C GLU A 12 -10.419 -12.602 3.862 1.00 16.66 C ATOM 171 O GLU A 12 -11.427 -12.964 4.436 1.00 16.66 O ATOM 172 CB GLU A 12 -8.585 -11.388 5.048 1.00 16.66 C ATOM 173 CG GLU A 12 -7.585 -11.601 6.187 1.00 16.66 C ATOM 174 CD GLU A 12 -7.396 -10.289 6.950 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.039 -9.319 6.589 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.609 -10.279 7.883 1.00 50.00 O ATOM 0 H GLU A 12 -7.337 -12.555 3.244 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.099 -13.461 5.328 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -8.125 -10.804 4.251 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.444 -10.819 5.405 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.945 -12.378 6.861 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.630 -11.943 5.788 1.00 16.66 H new ATOM 183 N ARG A 13 -10.470 -12.081 2.668 1.00 16.66 N ATOM 184 CA ARG A 13 -11.781 -11.919 1.982 1.00 16.66 C ATOM 185 C ARG A 13 -12.371 -13.298 1.694 1.00 16.66 C ATOM 186 O ARG A 13 -13.554 -13.525 1.851 1.00 16.66 O ATOM 187 CB ARG A 13 -11.583 -11.159 0.670 1.00 16.66 C ATOM 188 CG ARG A 13 -11.142 -9.728 0.976 1.00 16.66 C ATOM 189 CD ARG A 13 -10.833 -8.997 -0.332 1.00 16.66 C ATOM 190 NE ARG A 13 -11.994 -8.141 -0.709 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.814 -7.096 -1.469 1.00 50.00 C ATOM 192 NH1 ARG A 13 -10.680 -6.929 -2.093 1.00 50.00 N ATOM 193 NH2 ARG A 13 -12.769 -6.217 -1.605 1.00 50.00 N ATOM 0 H ARG A 13 -9.660 -11.760 2.138 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.462 -11.357 2.621 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.834 -11.659 0.056 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.510 -11.151 0.097 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.927 -9.203 1.521 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.260 -9.737 1.617 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.939 -8.385 -0.216 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.626 -9.717 -1.124 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.929 -8.372 -0.373 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -9.933 -7.616 -1.987 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -10.540 -6.112 -2.687 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -13.655 -6.347 -1.117 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -12.629 -5.400 -2.199 1.00 50.00 H new ATOM 207 N ILE A 14 -11.553 -14.224 1.280 1.00 16.66 N ATOM 208 CA ILE A 14 -12.063 -15.592 0.991 1.00 16.66 C ATOM 209 C ILE A 14 -12.441 -16.268 2.308 1.00 16.66 C ATOM 210 O ILE A 14 -13.502 -16.846 2.440 1.00 16.66 O ATOM 211 CB ILE A 14 -10.975 -16.403 0.289 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.526 -15.666 -0.974 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.530 -17.777 -0.093 1.00 50.00 C ATOM 214 CD1 ILE A 14 -9.120 -16.128 -1.362 1.00 50.00 C ATOM 0 H ILE A 14 -10.553 -14.092 1.129 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.938 -15.533 0.344 1.00 16.66 H new ATOM 0 HB ILE A 14 -10.125 -16.528 0.959 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -11.223 -15.862 -1.789 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.532 -14.590 -0.801 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.754 -18.356 -0.594 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.852 -18.302 0.806 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.380 -17.652 -0.764 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.800 -15.603 -2.262 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.428 -15.909 -0.549 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -9.129 -17.201 -1.552 1.00 50.00 H new ATOM 226 N PHE A 15 -11.585 -16.193 3.290 1.00 16.66 N ATOM 227 CA PHE A 15 -11.906 -16.826 4.597 1.00 16.66 C ATOM 228 C PHE A 15 -13.088 -16.090 5.227 1.00 16.66 C ATOM 229 O PHE A 15 -13.927 -16.682 5.879 1.00 16.66 O ATOM 230 CB PHE A 15 -10.694 -16.739 5.527 1.00 16.66 C ATOM 231 CG PHE A 15 -11.021 -17.436 6.827 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.669 -16.739 7.854 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.683 -18.784 7.001 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.981 -17.391 9.054 1.00 16.66 C ATOM 235 CE2 PHE A 15 -10.993 -19.434 8.202 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.643 -18.738 9.228 1.00 16.66 C ATOM 0 H PHE A 15 -10.681 -15.722 3.243 1.00 16.66 H new ATOM 0 HA PHE A 15 -12.161 -17.875 4.443 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.826 -17.203 5.059 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.436 -15.696 5.713 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -11.928 -15.699 7.721 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -10.183 -19.322 6.209 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.483 -16.854 9.845 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.730 -20.473 8.337 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.884 -19.240 10.153 1.00 16.66 H new ATOM 246 N LYS A 16 -13.165 -14.803 5.030 1.00 16.66 N ATOM 247 CA LYS A 16 -14.294 -14.026 5.610 1.00 16.66 C ATOM 248 C LYS A 16 -15.605 -14.477 4.965 1.00 16.66 C ATOM 249 O LYS A 16 -16.642 -14.505 5.598 1.00 16.66 O ATOM 250 CB LYS A 16 -14.082 -12.535 5.336 1.00 50.00 C ATOM 251 CG LYS A 16 -13.173 -11.944 6.415 1.00 50.00 C ATOM 252 CD LYS A 16 -13.070 -10.429 6.218 1.00 50.00 C ATOM 253 CE LYS A 16 -12.038 -9.858 7.191 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.410 -10.229 8.585 1.00 50.00 N ATOM 0 H LYS A 16 -12.493 -14.256 4.491 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.337 -14.197 6.686 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.635 -12.395 4.352 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.040 -12.016 5.328 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.572 -12.167 7.405 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.183 -12.397 6.361 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.781 -10.204 5.191 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.041 -9.963 6.386 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.046 -10.243 6.953 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.991 -8.773 7.092 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.923 -9.599 9.254 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -13.439 -10.135 8.707 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -12.128 -11.213 8.769 1.00 50.00 H new ATOM 268 N ARG A 17 -15.568 -14.831 3.711 1.00 16.66 N ATOM 269 CA ARG A 17 -16.813 -15.280 3.029 1.00 16.66 C ATOM 270 C ARG A 17 -17.167 -16.691 3.504 1.00 16.66 C ATOM 271 O ARG A 17 -18.313 -17.094 3.493 1.00 16.66 O ATOM 272 CB ARG A 17 -16.605 -15.261 1.509 1.00 16.66 C ATOM 273 CG ARG A 17 -15.823 -16.497 1.053 1.00 16.66 C ATOM 274 CD ARG A 17 -16.708 -17.348 0.143 1.00 50.00 C ATOM 275 NE ARG A 17 -17.529 -18.265 0.977 1.00 50.00 N ATOM 276 CZ ARG A 17 -18.795 -18.437 0.708 1.00 50.00 C ATOM 277 NH1 ARG A 17 -19.693 -17.696 1.297 1.00 50.00 N ATOM 278 NH2 ARG A 17 -19.162 -19.347 -0.153 1.00 50.00 N ATOM 0 H ARG A 17 -14.730 -14.829 3.129 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.634 -14.606 3.275 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -17.571 -15.230 1.005 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.067 -14.358 1.222 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -14.920 -16.195 0.522 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.505 -17.079 1.918 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -17.354 -16.708 -0.458 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -16.092 -17.921 -0.550 1.00 50.00 H new ATOM 0 HE ARG A 17 -17.103 -18.760 1.760 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -19.406 -16.983 1.967 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -20.682 -17.830 1.087 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -18.460 -19.924 -0.616 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -20.151 -19.481 -0.363 1.00 50.00 H new ATOM 292 N PHE A 18 -16.188 -17.441 3.928 1.00 16.66 N ATOM 293 CA PHE A 18 -16.461 -18.822 4.414 1.00 16.66 C ATOM 294 C PHE A 18 -17.135 -18.745 5.782 1.00 16.66 C ATOM 295 O PHE A 18 -18.088 -19.446 6.058 1.00 16.66 O ATOM 296 CB PHE A 18 -15.145 -19.595 4.532 1.00 16.66 C ATOM 297 CG PHE A 18 -14.781 -20.177 3.186 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.552 -21.210 2.640 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.675 -19.682 2.486 1.00 16.66 C ATOM 300 CE1 PHE A 18 -15.216 -21.749 1.392 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.338 -20.222 1.238 1.00 16.66 C ATOM 302 CZ PHE A 18 -14.109 -21.255 0.691 1.00 16.66 C ATOM 0 H PHE A 18 -15.209 -17.156 3.959 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.116 -19.336 3.710 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.352 -18.933 4.881 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.243 -20.391 5.270 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.406 -21.591 3.181 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.082 -18.884 2.908 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.811 -22.546 0.970 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.484 -19.842 0.698 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.850 -21.671 -0.272 1.00 16.66 H new ATOM 312 N ASP A 19 -16.653 -17.889 6.638 1.00 16.66 N ATOM 313 CA ASP A 19 -17.272 -17.757 7.984 1.00 16.66 C ATOM 314 C ASP A 19 -18.709 -17.255 7.818 1.00 16.66 C ATOM 315 O ASP A 19 -18.944 -16.094 7.546 1.00 16.66 O ATOM 316 CB ASP A 19 -16.463 -16.762 8.823 1.00 16.66 C ATOM 317 CG ASP A 19 -16.701 -17.049 10.300 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.449 -17.964 10.580 1.00 16.66 O ATOM 319 OD2 ASP A 19 -16.125 -16.355 11.123 1.00 16.66 O ATOM 0 H ASP A 19 -15.857 -17.275 6.463 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.278 -18.722 8.490 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.402 -16.848 8.589 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.760 -15.741 8.585 1.00 16.66 H new ATOM 324 N ALA A 20 -19.674 -18.127 7.953 1.00 16.66 N ATOM 325 CA ALA A 20 -21.097 -17.715 7.774 1.00 16.66 C ATOM 326 C ALA A 20 -21.522 -16.705 8.846 1.00 16.66 C ATOM 327 O ALA A 20 -22.066 -15.664 8.538 1.00 16.66 O ATOM 328 CB ALA A 20 -21.993 -18.951 7.865 1.00 50.00 C ATOM 0 H ALA A 20 -19.536 -19.112 8.181 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.198 -17.242 6.797 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -23.034 -18.656 7.735 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.716 -19.659 7.084 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.868 -19.420 8.841 1.00 50.00 H new ATOM 334 N ASN A 21 -21.296 -16.995 10.101 1.00 16.66 N ATOM 335 CA ASN A 21 -21.716 -16.028 11.156 1.00 16.66 C ATOM 336 C ASN A 21 -20.582 -15.039 11.430 1.00 16.66 C ATOM 337 O ASN A 21 -20.810 -13.914 11.829 1.00 16.66 O ATOM 338 CB ASN A 21 -22.099 -16.778 12.439 1.00 16.66 C ATOM 339 CG ASN A 21 -20.890 -17.509 13.028 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.981 -17.876 12.312 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.874 -17.731 14.313 1.00 16.66 N ATOM 0 H ASN A 21 -20.846 -17.846 10.437 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.589 -15.475 10.809 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.495 -16.075 13.171 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.892 -17.494 12.223 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -20.086 -18.222 14.736 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.649 -17.413 14.895 1.00 16.66 H new ATOM 348 N GLY A 22 -19.363 -15.439 11.204 1.00 16.66 N ATOM 349 CA GLY A 22 -18.223 -14.509 11.436 1.00 16.66 C ATOM 350 C GLY A 22 -17.726 -14.636 12.877 1.00 16.66 C ATOM 351 O GLY A 22 -17.302 -13.671 13.481 1.00 16.66 O ATOM 0 H GLY A 22 -19.106 -16.368 10.869 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.413 -14.734 10.742 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.535 -13.483 11.240 1.00 16.66 H new ATOM 355 N ASP A 23 -17.761 -15.816 13.430 1.00 16.66 N ATOM 356 CA ASP A 23 -17.272 -15.985 14.826 1.00 16.66 C ATOM 357 C ASP A 23 -15.771 -16.287 14.801 1.00 16.66 C ATOM 358 O ASP A 23 -15.156 -16.521 15.823 1.00 16.66 O ATOM 359 CB ASP A 23 -18.031 -17.119 15.526 1.00 16.66 C ATOM 360 CG ASP A 23 -17.821 -18.440 14.784 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.420 -18.397 13.637 1.00 16.66 O ATOM 362 OD2 ASP A 23 -18.078 -19.475 15.378 1.00 16.66 O ATOM 0 H ASP A 23 -18.104 -16.665 12.980 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.447 -15.064 15.383 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.686 -17.214 16.556 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -19.094 -16.883 15.566 1.00 16.66 H new ATOM 367 N GLY A 24 -15.171 -16.266 13.637 1.00 16.66 N ATOM 368 CA GLY A 24 -13.706 -16.529 13.542 1.00 16.66 C ATOM 369 C GLY A 24 -13.448 -18.009 13.249 1.00 16.66 C ATOM 370 O GLY A 24 -12.323 -18.418 13.043 1.00 16.66 O ATOM 0 H GLY A 24 -15.635 -16.078 12.748 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.270 -15.914 12.754 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.218 -16.246 14.475 1.00 16.66 H new ATOM 374 N LYS A 25 -14.469 -18.821 13.241 1.00 16.66 N ATOM 375 CA LYS A 25 -14.254 -20.271 12.976 1.00 16.66 C ATOM 376 C LYS A 25 -15.258 -20.769 11.932 1.00 16.66 C ATOM 377 O LYS A 25 -16.410 -20.360 11.905 1.00 16.66 O ATOM 378 CB LYS A 25 -14.432 -21.059 14.278 1.00 50.00 C ATOM 379 CG LYS A 25 -15.882 -20.960 14.746 1.00 50.00 C ATOM 380 CD LYS A 25 -16.123 -21.973 15.867 1.00 50.00 C ATOM 381 CE LYS A 25 -17.627 -22.176 16.059 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.272 -22.388 14.732 1.00 50.00 N ATOM 0 H LYS A 25 -15.437 -18.545 13.405 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.244 -20.419 12.594 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.161 -22.103 14.122 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.765 -20.667 15.046 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.093 -19.951 15.100 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.559 -21.154 13.914 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.646 -22.922 15.622 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.672 -21.619 16.794 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.810 -23.034 16.706 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -18.062 -21.307 16.552 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.252 -22.709 14.869 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -18.272 -21.495 14.199 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.743 -23.108 14.200 1.00 50.00 H new ATOM 396 N ILE A 26 -14.826 -21.660 11.078 1.00 16.66 N ATOM 397 CA ILE A 26 -15.735 -22.207 10.033 1.00 16.66 C ATOM 398 C ILE A 26 -16.025 -23.678 10.330 1.00 16.66 C ATOM 399 O ILE A 26 -15.137 -24.450 10.633 1.00 16.66 O ATOM 400 CB ILE A 26 -15.068 -22.084 8.662 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.386 -20.719 8.547 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.127 -22.217 7.565 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.807 -20.558 7.141 1.00 16.66 C ATOM 0 H ILE A 26 -13.877 -22.033 11.061 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.669 -21.646 10.033 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.325 -22.873 8.548 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -15.103 -19.924 8.750 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.594 -20.632 9.291 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.652 -22.129 6.588 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.614 -23.189 7.646 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.870 -21.428 7.679 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.321 -19.586 7.057 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.077 -21.346 6.956 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.610 -20.627 6.407 1.00 16.66 H new ATOM 415 N SER A 27 -17.264 -24.073 10.239 1.00 16.66 N ATOM 416 CA SER A 27 -17.623 -25.491 10.508 1.00 16.66 C ATOM 417 C SER A 27 -17.943 -26.175 9.182 1.00 16.66 C ATOM 418 O SER A 27 -18.129 -25.527 8.172 1.00 16.66 O ATOM 419 CB SER A 27 -18.853 -25.542 11.417 1.00 50.00 C ATOM 420 OG SER A 27 -20.027 -25.388 10.633 1.00 50.00 O ATOM 0 H SER A 27 -18.047 -23.470 9.988 1.00 16.66 H new ATOM 0 HA SER A 27 -16.792 -25.999 10.998 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.883 -26.490 11.954 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.797 -24.753 12.167 1.00 50.00 H new ATOM 0 HG SER A 27 -20.815 -25.422 11.214 1.00 50.00 H new ATOM 426 N ALA A 28 -18.013 -27.475 9.168 1.00 16.66 N ATOM 427 CA ALA A 28 -18.326 -28.173 7.894 1.00 16.66 C ATOM 428 C ALA A 28 -19.554 -27.523 7.265 1.00 16.66 C ATOM 429 O ALA A 28 -19.588 -27.245 6.083 1.00 16.66 O ATOM 430 CB ALA A 28 -18.608 -29.652 8.169 1.00 50.00 C ATOM 0 H ALA A 28 -17.868 -28.080 9.977 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.478 -28.096 7.214 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.837 -30.159 7.232 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.731 -30.111 8.625 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.457 -29.741 8.846 1.00 50.00 H new ATOM 436 N ALA A 29 -20.564 -27.277 8.048 1.00 16.66 N ATOM 437 CA ALA A 29 -21.792 -26.642 7.500 1.00 16.66 C ATOM 438 C ALA A 29 -21.431 -25.305 6.855 1.00 16.66 C ATOM 439 O ALA A 29 -21.954 -24.944 5.820 1.00 16.66 O ATOM 440 CB ALA A 29 -22.798 -26.412 8.630 1.00 50.00 C ATOM 0 H ALA A 29 -20.592 -27.488 9.045 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.235 -27.297 6.750 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.698 -25.947 8.227 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.057 -27.367 9.087 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.357 -25.758 9.382 1.00 50.00 H new ATOM 446 N GLU A 30 -20.539 -24.567 7.454 1.00 16.66 N ATOM 447 CA GLU A 30 -20.150 -23.258 6.865 1.00 16.66 C ATOM 448 C GLU A 30 -19.233 -23.496 5.669 1.00 16.66 C ATOM 449 O GLU A 30 -19.489 -23.028 4.577 1.00 16.66 O ATOM 450 CB GLU A 30 -19.425 -22.413 7.917 1.00 16.66 C ATOM 451 CG GLU A 30 -20.389 -22.086 9.062 1.00 16.66 C ATOM 452 CD GLU A 30 -19.683 -21.200 10.095 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.653 -21.604 10.584 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.187 -20.136 10.381 1.00 16.66 O ATOM 0 H GLU A 30 -20.065 -24.813 8.323 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.043 -22.726 6.537 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.559 -22.953 8.299 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -19.053 -21.493 7.467 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.271 -21.576 8.674 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.734 -23.006 9.533 1.00 16.66 H new ATOM 461 N LEU A 31 -18.167 -24.218 5.859 1.00 16.66 N ATOM 462 CA LEU A 31 -17.240 -24.481 4.723 1.00 16.66 C ATOM 463 C LEU A 31 -17.990 -25.251 3.639 1.00 16.66 C ATOM 464 O LEU A 31 -17.871 -24.965 2.464 1.00 16.66 O ATOM 465 CB LEU A 31 -16.050 -25.311 5.212 1.00 16.66 C ATOM 466 CG LEU A 31 -15.174 -25.698 4.019 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.640 -24.433 3.345 1.00 16.66 C ATOM 468 CD2 LEU A 31 -14.001 -26.552 4.503 1.00 16.66 C ATOM 0 H LEU A 31 -17.896 -24.637 6.749 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.875 -23.537 4.319 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.467 -24.740 5.935 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.403 -26.207 5.723 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.767 -26.267 3.303 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -14.016 -24.709 2.495 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -15.476 -23.825 2.999 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -14.047 -23.862 4.060 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.377 -26.828 3.653 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.408 -25.983 5.219 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -14.381 -27.454 4.982 1.00 16.66 H new ATOM 480 N GLY A 32 -18.765 -26.222 4.028 1.00 16.66 N ATOM 481 CA GLY A 32 -19.531 -27.009 3.026 1.00 16.66 C ATOM 482 C GLY A 32 -20.503 -26.084 2.296 1.00 16.66 C ATOM 483 O GLY A 32 -20.641 -26.138 1.089 1.00 16.66 O ATOM 0 H GLY A 32 -18.901 -26.505 4.998 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.850 -27.475 2.314 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.077 -27.814 3.518 1.00 16.66 H new ATOM 487 N GLU A 33 -21.182 -25.238 3.018 1.00 16.66 N ATOM 488 CA GLU A 33 -22.151 -24.314 2.368 1.00 16.66 C ATOM 489 C GLU A 33 -21.430 -23.456 1.335 1.00 16.66 C ATOM 490 O GLU A 33 -21.912 -23.255 0.238 1.00 16.66 O ATOM 491 CB GLU A 33 -22.786 -23.417 3.429 1.00 50.00 C ATOM 492 CG GLU A 33 -24.062 -24.075 3.958 1.00 50.00 C ATOM 493 CD GLU A 33 -24.803 -23.096 4.870 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.317 -21.989 5.036 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.842 -23.470 5.387 1.00 50.00 O ATOM 0 H GLU A 33 -21.108 -25.147 4.031 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.928 -24.895 1.871 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.085 -23.250 4.246 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.017 -22.441 3.004 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.703 -24.370 3.127 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.814 -24.983 4.507 1.00 50.00 H new ATOM 502 N ALA A 34 -20.274 -22.956 1.663 1.00 16.66 N ATOM 503 CA ALA A 34 -19.527 -22.125 0.682 1.00 16.66 C ATOM 504 C ALA A 34 -18.968 -23.045 -0.399 1.00 16.66 C ATOM 505 O ALA A 34 -18.983 -22.729 -1.573 1.00 16.66 O ATOM 506 CB ALA A 34 -18.380 -21.401 1.388 1.00 50.00 C ATOM 0 H ALA A 34 -19.815 -23.086 2.565 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.189 -21.383 0.237 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.835 -20.793 0.666 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.782 -20.760 2.172 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.704 -22.134 1.829 1.00 50.00 H new ATOM 512 N LEU A 35 -18.477 -24.186 -0.006 1.00 99.99 N ATOM 513 CA LEU A 35 -17.917 -25.140 -0.997 1.00 99.99 C ATOM 514 C LEU A 35 -18.996 -25.507 -2.015 1.00 99.99 C ATOM 515 O LEU A 35 -18.713 -25.753 -3.171 1.00 99.99 O ATOM 516 CB LEU A 35 -17.441 -26.403 -0.278 1.00 99.99 C ATOM 517 CG LEU A 35 -15.950 -26.277 0.043 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.554 -27.352 1.057 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.135 -26.462 -1.238 1.00 99.99 C ATOM 0 H LEU A 35 -18.440 -24.499 0.964 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.075 -24.678 -1.511 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.010 -26.548 0.640 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.616 -27.278 -0.904 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.751 -25.290 0.462 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.492 -27.263 1.286 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.134 -27.222 1.970 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.753 -28.338 0.638 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.073 -26.372 -1.010 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.334 -27.449 -1.657 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.416 -25.697 -1.962 1.00 99.99 H new ATOM 531 N LYS A 36 -20.234 -25.549 -1.599 1.00 99.99 N ATOM 532 CA LYS A 36 -21.322 -25.903 -2.553 1.00 99.99 C ATOM 533 C LYS A 36 -21.119 -25.140 -3.861 1.00 99.99 C ATOM 534 O LYS A 36 -21.537 -25.574 -4.916 1.00 99.99 O ATOM 535 CB LYS A 36 -22.675 -25.526 -1.947 1.00 99.99 C ATOM 536 CG LYS A 36 -23.462 -26.798 -1.624 1.00 99.99 C ATOM 537 CD LYS A 36 -24.782 -26.424 -0.948 1.00 99.99 C ATOM 538 CE LYS A 36 -25.001 -27.319 0.273 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.297 -28.041 0.135 1.00 99.99 N ATOM 0 H LYS A 36 -20.537 -25.354 -0.645 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.299 -26.975 -2.750 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.528 -24.937 -1.042 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.237 -24.905 -2.644 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -23.656 -27.360 -2.537 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -22.877 -27.444 -0.970 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.764 -25.377 -0.646 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.608 -26.540 -1.650 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.183 -28.033 0.365 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.003 -26.718 1.182 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -26.446 -28.649 0.965 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -27.073 -27.352 0.068 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.278 -28.627 -0.724 1.00 99.99 H new ATOM 553 N THR A 37 -20.479 -24.004 -3.801 1.00 99.99 N ATOM 554 CA THR A 37 -20.248 -23.215 -5.041 1.00 99.99 C ATOM 555 C THR A 37 -19.675 -24.135 -6.117 1.00 99.99 C ATOM 556 O THR A 37 -19.812 -23.891 -7.299 1.00 99.99 O ATOM 557 CB THR A 37 -19.258 -22.084 -4.748 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.258 -21.164 -5.831 1.00 99.99 O ATOM 559 CG2 THR A 37 -17.854 -22.664 -4.566 1.00 99.99 C ATOM 0 H THR A 37 -20.107 -23.590 -2.947 1.00 99.99 H new ATOM 0 HA THR A 37 -21.188 -22.787 -5.389 1.00 99.99 H new ATOM 0 HB THR A 37 -19.555 -21.569 -3.834 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.525 -20.278 -5.508 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.151 -21.857 -4.358 1.00 99.99 H new ATOM 0 HG22 THR A 37 -17.856 -23.368 -3.733 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.553 -23.181 -5.477 1.00 99.99 H new ATOM 567 N LEU A 38 -19.037 -25.197 -5.710 1.00 16.66 N ATOM 568 CA LEU A 38 -18.457 -26.143 -6.705 1.00 16.66 C ATOM 569 C LEU A 38 -19.575 -26.671 -7.604 1.00 16.66 C ATOM 570 O LEU A 38 -19.377 -26.928 -8.775 1.00 16.66 O ATOM 571 CB LEU A 38 -17.792 -27.311 -5.973 1.00 50.00 C ATOM 572 CG LEU A 38 -16.404 -26.886 -5.492 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.961 -27.797 -4.346 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.407 -26.998 -6.648 1.00 50.00 C ATOM 0 H LEU A 38 -18.892 -25.451 -4.733 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.712 -25.628 -7.311 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.404 -27.619 -5.125 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.711 -28.172 -6.637 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.440 -25.854 -5.143 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.972 -27.495 -4.003 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.671 -27.717 -3.523 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.924 -28.829 -4.695 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.417 -26.695 -6.306 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.370 -28.030 -6.998 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -15.723 -26.349 -7.465 1.00 50.00 H new ATOM 586 N GLY A 39 -20.751 -26.828 -7.064 1.00 16.66 N ATOM 587 CA GLY A 39 -21.890 -27.332 -7.881 1.00 16.66 C ATOM 588 C GLY A 39 -21.734 -28.836 -8.120 1.00 16.66 C ATOM 589 O GLY A 39 -22.557 -29.457 -8.762 1.00 16.66 O ATOM 0 H GLY A 39 -20.973 -26.628 -6.089 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -22.832 -27.132 -7.370 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -21.926 -26.805 -8.835 1.00 16.66 H new ATOM 593 N SER A 40 -20.687 -29.429 -7.614 1.00 16.66 N ATOM 594 CA SER A 40 -20.494 -30.891 -7.826 1.00 16.66 C ATOM 595 C SER A 40 -19.609 -31.467 -6.719 1.00 16.66 C ATOM 596 O SER A 40 -18.568 -32.035 -6.979 1.00 16.66 O ATOM 597 CB SER A 40 -19.825 -31.118 -9.181 1.00 16.66 C ATOM 598 OG SER A 40 -20.776 -31.635 -10.099 1.00 16.66 O ATOM 0 H SER A 40 -19.961 -28.967 -7.066 1.00 16.66 H new ATOM 0 HA SER A 40 -21.463 -31.390 -7.803 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.414 -30.181 -9.557 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.992 -31.812 -9.075 1.00 16.66 H new ATOM 0 HG SER A 40 -21.623 -31.153 -9.999 1.00 16.66 H new ATOM 604 N ILE A 41 -20.015 -31.335 -5.486 1.00 16.66 N ATOM 605 CA ILE A 41 -19.192 -31.886 -4.373 1.00 16.66 C ATOM 606 C ILE A 41 -20.105 -32.560 -3.347 1.00 16.66 C ATOM 607 O ILE A 41 -21.315 -32.484 -3.431 1.00 16.66 O ATOM 608 CB ILE A 41 -18.400 -30.754 -3.702 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.225 -31.348 -2.924 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.304 -29.981 -2.738 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.159 -30.272 -2.711 1.00 16.66 C ATOM 0 H ILE A 41 -20.878 -30.871 -5.202 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.493 -32.621 -4.771 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.030 -30.075 -4.470 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.568 -31.731 -1.963 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.802 -32.191 -3.470 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.734 -29.180 -2.267 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.142 -29.554 -3.289 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.681 -30.658 -1.971 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.321 -30.695 -2.156 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.809 -29.910 -3.678 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.586 -29.443 -2.147 1.00 16.66 H new ATOM 623 N THR A 42 -19.533 -33.214 -2.376 1.00 16.66 N ATOM 624 CA THR A 42 -20.360 -33.888 -1.339 1.00 16.66 C ATOM 625 C THR A 42 -19.921 -33.391 0.033 1.00 16.66 C ATOM 626 O THR A 42 -18.848 -32.845 0.188 1.00 16.66 O ATOM 627 CB THR A 42 -20.166 -35.414 -1.410 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.388 -35.848 -0.302 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.451 -35.799 -2.708 1.00 16.66 C ATOM 0 H THR A 42 -18.525 -33.311 -2.256 1.00 16.66 H new ATOM 0 HA THR A 42 -21.412 -33.658 -1.510 1.00 16.66 H new ATOM 0 HB THR A 42 -21.145 -35.893 -1.385 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.000 -36.726 -0.499 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.321 -36.881 -2.745 1.00 16.66 H new ATOM 0 HG22 THR A 42 -20.047 -35.476 -3.561 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.475 -35.315 -2.743 1.00 16.66 H new ATOM 637 N PRO A 43 -20.757 -33.605 1.053 1.00 16.66 N ATOM 638 CA PRO A 43 -20.434 -33.196 2.418 1.00 16.66 C ATOM 639 C PRO A 43 -19.281 -34.037 2.958 1.00 16.66 C ATOM 640 O PRO A 43 -18.465 -33.578 3.732 1.00 16.66 O ATOM 641 CB PRO A 43 -21.719 -33.484 3.194 1.00 50.00 C ATOM 642 CG PRO A 43 -22.401 -34.547 2.401 1.00 50.00 C ATOM 643 CD PRO A 43 -22.072 -34.261 0.963 1.00 50.00 C ATOM 0 HA PRO A 43 -20.121 -32.154 2.492 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.504 -33.821 4.208 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.340 -32.592 3.280 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.051 -35.537 2.693 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.478 -34.528 2.567 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.029 -35.174 0.369 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.816 -33.614 0.499 1.00 50.00 H new ATOM 651 N ASP A 44 -19.216 -35.275 2.549 1.00 16.66 N ATOM 652 CA ASP A 44 -18.126 -36.168 3.026 1.00 16.66 C ATOM 653 C ASP A 44 -16.774 -35.642 2.547 1.00 16.66 C ATOM 654 O ASP A 44 -15.755 -35.882 3.164 1.00 16.66 O ATOM 655 CB ASP A 44 -18.349 -37.579 2.478 1.00 50.00 C ATOM 656 CG ASP A 44 -19.702 -38.105 2.963 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.280 -37.480 3.836 1.00 50.00 O ATOM 658 OD2 ASP A 44 -20.136 -39.124 2.452 1.00 50.00 O ATOM 0 H ASP A 44 -19.875 -35.707 1.902 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.133 -36.193 4.116 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.321 -37.567 1.388 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.549 -38.241 2.810 1.00 50.00 H new ATOM 663 N GLU A 45 -16.744 -34.920 1.459 1.00 16.66 N ATOM 664 CA GLU A 45 -15.448 -34.382 0.967 1.00 16.66 C ATOM 665 C GLU A 45 -15.130 -33.109 1.741 1.00 16.66 C ATOM 666 O GLU A 45 -13.995 -32.830 2.071 1.00 16.66 O ATOM 667 CB GLU A 45 -15.553 -34.063 -0.526 1.00 16.66 C ATOM 668 CG GLU A 45 -15.705 -35.364 -1.317 1.00 16.66 C ATOM 669 CD GLU A 45 -15.485 -35.084 -2.806 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.139 -33.960 -3.131 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.666 -35.997 -3.593 1.00 16.66 O ATOM 0 H GLU A 45 -17.559 -34.682 0.893 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.658 -35.119 1.115 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.407 -33.411 -0.710 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.664 -33.525 -0.857 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -14.985 -36.103 -0.965 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.698 -35.785 -1.158 1.00 16.66 H new ATOM 678 N VAL A 46 -16.136 -32.338 2.041 1.00 16.66 N ATOM 679 CA VAL A 46 -15.911 -31.084 2.807 1.00 16.66 C ATOM 680 C VAL A 46 -15.500 -31.439 4.234 1.00 16.66 C ATOM 681 O VAL A 46 -14.673 -30.786 4.838 1.00 16.66 O ATOM 682 CB VAL A 46 -17.201 -30.265 2.834 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.069 -29.132 3.855 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.452 -29.676 1.445 1.00 50.00 C ATOM 0 H VAL A 46 -17.107 -32.523 1.788 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.123 -30.498 2.333 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.036 -30.907 3.116 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -17.990 -28.549 3.873 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.887 -29.553 4.844 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.236 -28.486 3.576 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.371 -29.091 1.459 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.617 -29.034 1.166 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.547 -30.484 0.719 1.00 50.00 H new ATOM 694 N LYS A 47 -16.070 -32.481 4.772 1.00 16.66 N ATOM 695 CA LYS A 47 -15.712 -32.894 6.156 1.00 16.66 C ATOM 696 C LYS A 47 -14.253 -33.347 6.179 1.00 16.66 C ATOM 697 O LYS A 47 -13.513 -33.057 7.097 1.00 16.66 O ATOM 698 CB LYS A 47 -16.615 -34.049 6.597 1.00 16.66 C ATOM 699 CG LYS A 47 -18.041 -33.534 6.801 1.00 16.66 C ATOM 700 CD LYS A 47 -18.918 -34.664 7.344 1.00 16.66 C ATOM 701 CE LYS A 47 -20.367 -34.182 7.447 1.00 50.00 C ATOM 702 NZ LYS A 47 -20.579 -33.529 8.769 1.00 50.00 N ATOM 0 H LYS A 47 -16.769 -33.064 4.312 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.847 -32.054 6.837 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.606 -34.838 5.846 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.239 -34.486 7.522 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -18.040 -32.694 7.496 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.445 -33.167 5.858 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.858 -35.532 6.688 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.558 -34.979 8.323 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.586 -33.480 6.643 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -21.051 -35.023 7.331 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -21.563 -33.201 8.840 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.386 -34.212 9.529 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -19.936 -32.717 8.862 1.00 50.00 H new ATOM 716 N HIS A 48 -13.835 -34.053 5.167 1.00 16.66 N ATOM 717 CA HIS A 48 -12.423 -34.524 5.118 1.00 16.66 C ATOM 718 C HIS A 48 -11.492 -33.316 5.002 1.00 16.66 C ATOM 719 O HIS A 48 -10.453 -33.259 5.631 1.00 16.66 O ATOM 720 CB HIS A 48 -12.229 -35.436 3.906 1.00 16.66 C ATOM 721 CG HIS A 48 -10.788 -35.857 3.820 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.152 -36.074 2.609 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.846 -36.103 4.787 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.883 -36.434 2.875 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.643 -36.468 4.189 1.00 50.00 N ATOM 0 H HIS A 48 -14.411 -34.325 4.370 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.192 -35.079 6.027 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.871 -36.313 3.991 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.521 -34.914 2.995 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -10.013 -36.025 5.851 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.148 -36.667 2.119 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.768 -36.709 4.654 1.00 50.00 H new ATOM 733 N MET A 49 -11.857 -32.346 4.208 1.00 16.66 N ATOM 734 CA MET A 49 -10.994 -31.146 4.061 1.00 16.66 C ATOM 735 C MET A 49 -10.810 -30.501 5.432 1.00 16.66 C ATOM 736 O MET A 49 -9.723 -30.105 5.807 1.00 16.66 O ATOM 737 CB MET A 49 -11.666 -30.155 3.113 1.00 16.66 C ATOM 738 CG MET A 49 -11.343 -30.534 1.666 1.00 16.66 C ATOM 739 SD MET A 49 -11.521 -29.077 0.607 1.00 16.66 S ATOM 740 CE MET A 49 -12.290 -29.915 -0.802 1.00 16.66 C ATOM 0 H MET A 49 -12.715 -32.335 3.657 1.00 16.66 H new ATOM 0 HA MET A 49 -10.023 -31.430 3.655 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.745 -30.160 3.269 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.318 -29.143 3.321 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.327 -30.924 1.599 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.011 -31.326 1.328 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.492 -29.190 -1.591 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.616 -30.684 -1.180 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.226 -30.376 -0.485 1.00 16.66 H new ATOM 750 N MET A 50 -11.867 -30.397 6.184 1.00 16.66 N ATOM 751 CA MET A 50 -11.766 -29.785 7.536 1.00 16.66 C ATOM 752 C MET A 50 -10.815 -30.616 8.395 1.00 16.66 C ATOM 753 O MET A 50 -9.932 -30.098 9.045 1.00 16.66 O ATOM 754 CB MET A 50 -13.150 -29.759 8.181 1.00 16.66 C ATOM 755 CG MET A 50 -13.875 -28.475 7.777 1.00 16.66 C ATOM 756 SD MET A 50 -15.295 -28.217 8.866 1.00 16.66 S ATOM 757 CE MET A 50 -14.387 -27.496 10.254 1.00 50.00 C ATOM 0 H MET A 50 -12.801 -30.711 5.920 1.00 16.66 H new ATOM 0 HA MET A 50 -11.385 -28.767 7.454 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.726 -30.629 7.867 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.059 -29.812 9.266 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.195 -27.625 7.841 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.205 -28.542 6.740 1.00 16.66 H new ATOM 0 HE1 MET A 50 -15.093 -27.109 10.989 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.763 -28.261 10.717 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.757 -26.683 9.893 1.00 50.00 H new ATOM 767 N ALA A 51 -10.989 -31.906 8.395 1.00 16.66 N ATOM 768 CA ALA A 51 -10.096 -32.782 9.206 1.00 16.66 C ATOM 769 C ALA A 51 -8.648 -32.585 8.753 1.00 16.66 C ATOM 770 O ALA A 51 -7.715 -32.882 9.472 1.00 16.66 O ATOM 771 CB ALA A 51 -10.498 -34.245 9.008 1.00 50.00 C ATOM 0 H ALA A 51 -11.712 -32.395 7.868 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.188 -32.521 10.260 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.845 -34.885 9.601 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.531 -34.385 9.327 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.405 -34.508 7.954 1.00 50.00 H new ATOM 777 N GLU A 52 -8.457 -32.082 7.565 1.00 16.66 N ATOM 778 CA GLU A 52 -7.072 -31.859 7.061 1.00 16.66 C ATOM 779 C GLU A 52 -6.669 -30.412 7.335 1.00 16.66 C ATOM 780 O GLU A 52 -5.533 -30.117 7.647 1.00 16.66 O ATOM 781 CB GLU A 52 -7.028 -32.124 5.556 1.00 16.66 C ATOM 782 CG GLU A 52 -6.934 -33.631 5.305 1.00 16.66 C ATOM 783 CD GLU A 52 -5.473 -34.074 5.405 1.00 16.66 C ATOM 784 OE1 GLU A 52 -4.613 -33.209 5.429 1.00 16.66 O ATOM 785 OE2 GLU A 52 -5.239 -35.270 5.458 1.00 16.66 O ATOM 0 H GLU A 52 -9.201 -31.815 6.920 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.383 -32.535 7.567 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.921 -31.720 5.079 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.172 -31.617 5.112 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -7.539 -34.170 6.033 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.332 -33.872 4.319 1.00 16.66 H new ATOM 792 N ILE A 53 -7.600 -29.509 7.221 1.00 16.66 N ATOM 793 CA ILE A 53 -7.293 -28.077 7.473 1.00 16.66 C ATOM 794 C ILE A 53 -7.328 -27.799 8.977 1.00 16.66 C ATOM 795 O ILE A 53 -6.611 -26.958 9.482 1.00 16.66 O ATOM 796 CB ILE A 53 -8.344 -27.221 6.776 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.296 -27.488 5.273 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.059 -25.748 7.053 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.423 -26.723 4.582 1.00 50.00 C ATOM 0 H ILE A 53 -8.567 -29.704 6.962 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.301 -27.839 7.089 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.336 -27.471 7.153 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.332 -27.179 4.869 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.395 -28.556 5.080 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.809 -25.133 6.556 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.094 -25.566 8.127 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.070 -25.491 6.674 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.388 -26.914 3.509 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.383 -27.053 4.978 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.303 -25.655 4.764 1.00 50.00 H new ATOM 811 N ASP A 54 -8.155 -28.505 9.693 1.00 16.66 N ATOM 812 CA ASP A 54 -8.249 -28.299 11.162 1.00 16.66 C ATOM 813 C ASP A 54 -6.887 -28.601 11.796 1.00 16.66 C ATOM 814 O ASP A 54 -6.510 -29.742 11.973 1.00 16.66 O ATOM 815 CB ASP A 54 -9.311 -29.252 11.712 1.00 16.66 C ATOM 816 CG ASP A 54 -9.890 -28.702 13.017 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.474 -27.633 13.426 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.753 -29.357 13.581 1.00 16.66 O ATOM 0 H ASP A 54 -8.776 -29.223 9.319 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.525 -27.270 11.393 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.107 -29.383 10.979 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.873 -30.235 11.886 1.00 16.66 H new ATOM 823 N THR A 55 -6.137 -27.580 12.119 1.00 16.66 N ATOM 824 CA THR A 55 -4.787 -27.794 12.719 1.00 16.66 C ATOM 825 C THR A 55 -4.908 -28.351 14.138 1.00 16.66 C ATOM 826 O THR A 55 -4.221 -29.282 14.509 1.00 16.66 O ATOM 827 CB THR A 55 -4.039 -26.462 12.762 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.814 -25.509 13.477 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.801 -25.962 11.335 1.00 50.00 C ATOM 0 H THR A 55 -6.403 -26.603 11.992 1.00 16.66 H new ATOM 0 HA THR A 55 -4.241 -28.512 12.107 1.00 16.66 H new ATOM 0 HB THR A 55 -3.080 -26.599 13.261 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.756 -25.778 13.464 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.268 -25.012 11.367 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.207 -26.694 10.787 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.759 -25.824 10.833 1.00 50.00 H new ATOM 837 N ASP A 56 -5.764 -27.786 14.939 1.00 16.66 N ATOM 838 CA ASP A 56 -5.911 -28.285 16.337 1.00 16.66 C ATOM 839 C ASP A 56 -6.937 -29.421 16.369 1.00 16.66 C ATOM 840 O ASP A 56 -6.761 -30.414 17.045 1.00 16.66 O ATOM 841 CB ASP A 56 -6.363 -27.139 17.247 1.00 16.66 C ATOM 842 CG ASP A 56 -7.865 -26.900 17.080 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.263 -26.477 16.007 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.589 -27.148 18.027 1.00 16.66 O ATOM 0 H ASP A 56 -6.368 -27.003 14.690 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.952 -28.662 16.693 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.138 -27.378 18.286 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.812 -26.231 17.003 1.00 16.66 H new ATOM 849 N GLY A 57 -8.001 -29.284 15.630 1.00 16.66 N ATOM 850 CA GLY A 57 -9.032 -30.360 15.604 1.00 16.66 C ATOM 851 C GLY A 57 -10.242 -29.965 16.456 1.00 16.66 C ATOM 852 O GLY A 57 -10.924 -30.811 16.999 1.00 16.66 O ATOM 0 H GLY A 57 -8.202 -28.475 15.043 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.348 -30.544 14.577 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.605 -31.290 15.978 1.00 16.66 H new ATOM 856 N ASP A 58 -10.530 -28.696 16.572 1.00 16.66 N ATOM 857 CA ASP A 58 -11.711 -28.284 17.384 1.00 16.66 C ATOM 858 C ASP A 58 -12.978 -28.434 16.539 1.00 16.66 C ATOM 859 O ASP A 58 -14.079 -28.226 17.010 1.00 16.66 O ATOM 860 CB ASP A 58 -11.564 -26.829 17.835 1.00 50.00 C ATOM 861 CG ASP A 58 -11.720 -25.897 16.632 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.140 -26.191 15.602 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.417 -24.905 16.763 1.00 50.00 O ATOM 0 H ASP A 58 -10.004 -27.934 16.144 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.777 -28.919 18.267 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.316 -26.594 18.589 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.589 -26.679 18.299 1.00 50.00 H new ATOM 868 N GLY A 59 -12.833 -28.800 15.292 1.00 16.66 N ATOM 869 CA GLY A 59 -14.029 -28.972 14.422 1.00 16.66 C ATOM 870 C GLY A 59 -14.216 -27.732 13.544 1.00 16.66 C ATOM 871 O GLY A 59 -15.104 -27.677 12.718 1.00 16.66 O ATOM 0 H GLY A 59 -11.938 -28.987 14.841 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.911 -29.857 13.797 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.916 -29.131 15.035 1.00 16.66 H new ATOM 875 N PHE A 60 -13.396 -26.730 13.720 1.00 16.66 N ATOM 876 CA PHE A 60 -13.554 -25.500 12.894 1.00 16.66 C ATOM 877 C PHE A 60 -12.199 -25.000 12.382 1.00 16.66 C ATOM 878 O PHE A 60 -11.144 -25.260 12.955 1.00 16.66 O ATOM 879 CB PHE A 60 -14.197 -24.396 13.731 1.00 50.00 C ATOM 880 CG PHE A 60 -15.427 -24.925 14.422 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.656 -24.920 13.757 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.339 -25.413 15.731 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.800 -25.405 14.399 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.483 -25.898 16.373 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.715 -25.894 15.708 1.00 50.00 C ATOM 0 H PHE A 60 -12.631 -26.710 14.394 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.186 -25.748 12.041 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.485 -24.027 14.469 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.462 -23.552 13.094 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.722 -24.542 12.748 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.389 -25.415 16.245 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.750 -25.402 13.885 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.416 -26.276 17.383 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.599 -26.268 16.204 1.00 50.00 H new ATOM 895 N ILE A 61 -12.232 -24.258 11.306 1.00 16.66 N ATOM 896 CA ILE A 61 -10.985 -23.698 10.733 1.00 16.66 C ATOM 897 C ILE A 61 -10.974 -22.189 10.983 1.00 16.66 C ATOM 898 O ILE A 61 -11.932 -21.499 10.695 1.00 16.66 O ATOM 899 CB ILE A 61 -10.957 -23.962 9.226 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.242 -25.441 8.958 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.579 -23.596 8.672 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.227 -26.304 9.711 1.00 16.66 C ATOM 0 H ILE A 61 -13.083 -24.017 10.798 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.115 -24.163 11.197 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.719 -23.355 8.737 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.254 -25.690 9.277 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.185 -25.645 7.889 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.557 -23.783 7.598 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.380 -22.541 8.860 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.817 -24.202 9.162 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.432 -27.357 9.519 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.220 -26.062 9.371 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.305 -26.108 10.780 1.00 16.66 H new ATOM 914 N SER A 62 -9.905 -21.667 11.511 1.00 16.66 N ATOM 915 CA SER A 62 -9.844 -20.204 11.769 1.00 16.66 C ATOM 916 C SER A 62 -9.061 -19.538 10.642 1.00 16.66 C ATOM 917 O SER A 62 -8.413 -20.196 9.854 1.00 16.66 O ATOM 918 CB SER A 62 -9.142 -19.946 13.104 1.00 16.66 C ATOM 919 OG SER A 62 -8.436 -21.112 13.500 1.00 16.66 O ATOM 0 H SER A 62 -9.070 -22.190 11.775 1.00 16.66 H new ATOM 0 HA SER A 62 -10.853 -19.794 11.812 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.454 -19.106 13.009 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.873 -19.675 13.865 1.00 16.66 H new ATOM 0 HG SER A 62 -7.985 -20.947 14.354 1.00 16.66 H new ATOM 925 N PHE A 63 -9.111 -18.241 10.555 1.00 16.66 N ATOM 926 CA PHE A 63 -8.362 -17.556 9.471 1.00 16.66 C ATOM 927 C PHE A 63 -6.905 -17.997 9.536 1.00 16.66 C ATOM 928 O PHE A 63 -6.285 -18.294 8.534 1.00 16.66 O ATOM 929 CB PHE A 63 -8.441 -16.044 9.653 1.00 16.66 C ATOM 930 CG PHE A 63 -7.710 -15.386 8.512 1.00 16.66 C ATOM 931 CD1 PHE A 63 -8.095 -15.656 7.196 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.646 -14.517 8.769 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.416 -15.055 6.132 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.966 -13.914 7.705 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.351 -14.184 6.386 1.00 16.66 C ATOM 0 H PHE A 63 -9.634 -17.630 11.182 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.795 -17.817 8.505 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.481 -15.719 9.674 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.997 -15.753 10.605 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.917 -16.329 7.001 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.349 -14.311 9.787 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.713 -15.263 5.115 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.145 -13.241 7.901 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.826 -13.720 5.565 1.00 16.66 H new ATOM 945 N GLN A 64 -6.358 -18.050 10.715 1.00 16.66 N ATOM 946 CA GLN A 64 -4.945 -18.478 10.866 1.00 16.66 C ATOM 947 C GLN A 64 -4.786 -19.890 10.296 1.00 16.66 C ATOM 948 O GLN A 64 -3.882 -20.163 9.530 1.00 16.66 O ATOM 949 CB GLN A 64 -4.585 -18.480 12.350 1.00 16.66 C ATOM 950 CG GLN A 64 -3.083 -18.723 12.515 1.00 16.66 C ATOM 951 CD GLN A 64 -2.312 -17.488 12.047 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.540 -16.396 12.529 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.400 -17.615 11.121 1.00 50.00 N ATOM 0 H GLN A 64 -6.833 -17.813 11.586 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.286 -17.795 10.330 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.861 -17.528 12.803 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -5.148 -19.255 12.870 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.851 -18.936 13.558 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.779 -19.595 11.936 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.208 -18.531 10.716 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.879 -16.798 10.803 1.00 50.00 H new ATOM 962 N GLU A 65 -5.662 -20.789 10.660 1.00 16.66 N ATOM 963 CA GLU A 65 -5.569 -22.177 10.136 1.00 16.66 C ATOM 964 C GLU A 65 -5.737 -22.151 8.618 1.00 16.66 C ATOM 965 O GLU A 65 -4.981 -22.759 7.886 1.00 16.66 O ATOM 966 CB GLU A 65 -6.678 -23.027 10.759 1.00 16.66 C ATOM 967 CG GLU A 65 -6.313 -23.372 12.205 1.00 16.66 C ATOM 968 CD GLU A 65 -7.425 -24.222 12.827 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.564 -24.032 12.466 1.00 16.66 O ATOM 970 OE2 GLU A 65 -7.120 -25.049 13.657 1.00 16.66 O ATOM 0 H GLU A 65 -6.438 -20.618 11.299 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.599 -22.604 10.389 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.623 -22.485 10.732 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.817 -23.941 10.181 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.368 -23.915 12.233 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -6.173 -22.459 12.783 1.00 16.66 H new ATOM 977 N PHE A 66 -6.723 -21.444 8.141 1.00 16.66 N ATOM 978 CA PHE A 66 -6.944 -21.367 6.671 1.00 16.66 C ATOM 979 C PHE A 66 -5.698 -20.782 6.008 1.00 16.66 C ATOM 980 O PHE A 66 -5.283 -21.209 4.949 1.00 16.66 O ATOM 981 CB PHE A 66 -8.148 -20.467 6.385 1.00 16.66 C ATOM 982 CG PHE A 66 -8.448 -20.474 4.905 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.781 -19.585 4.053 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.393 -21.367 4.386 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.062 -19.589 2.681 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.672 -21.371 3.015 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.007 -20.481 2.162 1.00 16.66 C ATOM 0 H PHE A 66 -7.386 -20.915 8.707 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.136 -22.364 6.273 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -9.016 -20.816 6.944 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.942 -19.450 6.719 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.051 -18.897 4.453 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.907 -22.053 5.044 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.549 -18.903 2.023 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.400 -22.061 2.614 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.224 -20.483 1.104 1.00 16.66 H new ATOM 997 N THR A 67 -5.093 -19.810 6.632 1.00 16.66 N ATOM 998 CA THR A 67 -3.867 -19.199 6.048 1.00 16.66 C ATOM 999 C THR A 67 -2.743 -20.235 6.049 1.00 16.66 C ATOM 1000 O THR A 67 -2.055 -20.421 5.065 1.00 16.66 O ATOM 1001 CB THR A 67 -3.450 -17.990 6.891 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.379 -16.933 6.694 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.054 -17.530 6.469 1.00 50.00 C ATOM 0 H THR A 67 -5.395 -19.412 7.521 1.00 16.66 H new ATOM 0 HA THR A 67 -4.067 -18.875 5.026 1.00 16.66 H new ATOM 0 HB THR A 67 -3.436 -18.269 7.945 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.195 -17.115 7.205 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.758 -16.670 7.069 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.342 -18.341 6.621 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.066 -17.251 5.415 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.556 -20.915 7.147 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.481 -21.943 7.213 1.00 25.00 C ATOM 1013 C ASP A 68 -1.727 -22.999 6.136 1.00 25.00 C ATOM 1014 O ASP A 68 -0.812 -23.459 5.481 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.491 -22.606 8.591 1.00 25.00 C ATOM 1016 CG ASP A 68 -1.034 -21.596 9.646 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.502 -20.568 9.261 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.225 -21.869 10.820 1.00 50.00 O ATOM 0 H ASP A 68 -3.102 -20.802 8.001 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.513 -21.471 7.047 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.493 -22.966 8.826 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.832 -23.474 8.594 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.957 -23.384 5.946 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.270 -24.405 4.912 1.00 25.00 C ATOM 1025 C PHE A 69 -3.201 -23.740 3.533 1.00 25.00 C ATOM 1026 O PHE A 69 -2.761 -24.332 2.568 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.675 -24.971 5.197 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.400 -25.276 3.910 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -5.930 -24.230 3.154 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.536 -26.597 3.477 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.601 -24.503 1.956 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.207 -26.873 2.281 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.740 -25.827 1.519 1.00 50.00 C ATOM 0 H PHE A 69 -3.762 -23.033 6.465 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.554 -25.227 4.933 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.592 -25.877 5.797 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.250 -24.253 5.782 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.823 -23.210 3.493 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.124 -27.404 4.065 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.011 -23.694 1.369 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.314 -27.894 1.945 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.258 -26.040 0.595 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.627 -22.512 3.438 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.581 -21.805 2.128 1.00 16.66 C ATOM 1045 C GLY A 70 -2.134 -21.758 1.632 1.00 16.66 C ATOM 1046 O GLY A 70 -1.870 -21.827 0.448 1.00 16.66 O ATOM 0 H GLY A 70 -4.006 -21.966 4.212 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.210 -22.319 1.402 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -3.975 -20.794 2.233 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.194 -21.645 2.531 1.00 25.00 N ATOM 1051 CA ARG A 71 0.234 -21.599 2.112 1.00 25.00 C ATOM 1052 C ARG A 71 0.623 -22.944 1.500 1.00 25.00 C ATOM 1053 O ARG A 71 1.426 -23.017 0.591 1.00 25.00 O ATOM 1054 CB ARG A 71 1.114 -21.317 3.331 1.00 50.00 C ATOM 1055 CG ARG A 71 0.816 -19.913 3.863 1.00 50.00 C ATOM 1056 CD ARG A 71 1.766 -19.591 5.017 1.00 50.00 C ATOM 1057 NE ARG A 71 1.739 -20.702 6.008 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.579 -20.707 7.007 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.594 -19.888 7.011 1.00 50.00 N ATOM 1060 NH2 ARG A 71 2.403 -21.533 8.003 1.00 50.00 N ATOM 0 H ARG A 71 -1.354 -21.583 3.536 1.00 25.00 H new ATOM 0 HA ARG A 71 0.375 -20.809 1.375 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.927 -22.059 4.107 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.166 -21.399 3.060 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.933 -19.179 3.066 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.218 -19.853 4.202 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.779 -19.451 4.640 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.471 -18.656 5.494 1.00 50.00 H new ATOM 0 HE ARG A 71 1.064 -21.460 5.906 1.00 50.00 H new ATOM 0 HH11 ARG A 71 3.732 -19.243 6.233 1.00 50.00 H new ATOM 0 HH12 ARG A 71 4.250 -19.893 7.792 1.00 50.00 H new ATOM 0 HH21 ARG A 71 1.609 -22.174 8.000 1.00 50.00 H new ATOM 0 HH22 ARG A 71 3.059 -21.537 8.784 1.00 50.00 H new ATOM 1074 N ALA A 72 0.055 -24.010 1.991 1.00 25.00 N ATOM 1075 CA ALA A 72 0.384 -25.354 1.439 1.00 25.00 C ATOM 1076 C ALA A 72 -0.150 -25.458 0.010 1.00 25.00 C ATOM 1077 O ALA A 72 0.298 -26.270 -0.775 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.267 -26.432 2.306 1.00 50.00 C ATOM 0 H ALA A 72 -0.624 -24.009 2.752 1.00 25.00 H new ATOM 0 HA ALA A 72 1.465 -25.494 1.436 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.027 -27.416 1.904 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.110 -26.355 3.326 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.348 -26.294 2.307 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.105 -24.637 -0.333 1.00 25.00 N ATOM 1085 CA ASN A 73 -1.670 -24.681 -1.710 1.00 25.00 C ATOM 1086 C ASN A 73 -2.202 -23.295 -2.079 1.00 25.00 C ATOM 1087 O ASN A 73 -3.357 -23.132 -2.419 1.00 25.00 O ATOM 1088 CB ASN A 73 -2.812 -25.697 -1.761 1.00 25.00 C ATOM 1089 CG ASN A 73 -2.483 -26.881 -0.851 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -1.577 -27.642 -1.127 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.186 -27.069 0.232 1.00 50.00 N ATOM 0 H ASN A 73 -1.518 -23.937 0.283 1.00 25.00 H new ATOM 0 HA ASN A 73 -0.894 -24.976 -2.416 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -3.744 -25.229 -1.444 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -2.961 -26.042 -2.784 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -2.975 -27.855 0.847 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -3.947 -26.430 0.464 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.367 -22.295 -2.012 1.00 25.00 N ATOM 1099 CA ARG A 74 -1.823 -20.921 -2.357 1.00 25.00 C ATOM 1100 C ARG A 74 -2.544 -20.967 -3.699 1.00 25.00 C ATOM 1101 O ARG A 74 -3.524 -20.283 -3.918 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.614 -19.987 -2.454 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.129 -19.635 -1.047 1.00 25.00 C ATOM 1104 CD ARG A 74 0.787 -18.412 -1.114 1.00 25.00 C ATOM 1105 NE ARG A 74 2.011 -18.752 -1.892 1.00 25.00 N ATOM 1106 CZ ARG A 74 3.119 -19.046 -1.269 1.00 50.00 C ATOM 1107 NH1 ARG A 74 3.108 -19.909 -0.290 1.00 50.00 N ATOM 1108 NH2 ARG A 74 4.239 -18.478 -1.625 1.00 50.00 N ATOM 0 H ARG A 74 -0.389 -22.371 -1.733 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.498 -20.549 -1.586 1.00 25.00 H new ATOM 0 HB2 ARG A 74 0.186 -20.468 -3.017 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.884 -19.080 -2.995 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.980 -19.430 -0.398 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.406 -20.480 -0.613 1.00 25.00 H new ATOM 0 HD2 ARG A 74 0.265 -17.578 -1.583 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.059 -18.092 -0.108 1.00 25.00 H new ATOM 0 HE ARG A 74 1.983 -18.755 -2.912 1.00 25.00 H new ATOM 0 HH11 ARG A 74 2.233 -20.354 -0.012 1.00 50.00 H new ATOM 0 HH12 ARG A 74 3.974 -20.139 0.197 1.00 50.00 H new ATOM 0 HH21 ARG A 74 4.248 -17.804 -2.391 1.00 50.00 H new ATOM 0 HH22 ARG A 74 5.105 -18.708 -1.138 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.065 -21.779 -4.597 1.00 25.00 N ATOM 1123 CA GLY A 75 -2.717 -21.888 -5.926 1.00 25.00 C ATOM 1124 C GLY A 75 -4.167 -22.334 -5.740 1.00 25.00 C ATOM 1125 O GLY A 75 -5.041 -21.985 -6.509 1.00 25.00 O ATOM 0 H GLY A 75 -1.247 -22.374 -4.466 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -2.683 -20.928 -6.441 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.181 -22.604 -6.550 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.428 -23.106 -4.721 1.00 25.00 N ATOM 1130 CA LEU A 76 -5.820 -23.579 -4.477 1.00 25.00 C ATOM 1131 C LEU A 76 -6.700 -22.391 -4.092 1.00 25.00 C ATOM 1132 O LEU A 76 -7.807 -22.242 -4.571 1.00 25.00 O ATOM 1133 CB LEU A 76 -5.822 -24.603 -3.340 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.204 -25.914 -3.830 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.223 -26.939 -2.694 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.013 -26.449 -5.013 1.00 50.00 C ATOM 0 H LEU A 76 -3.736 -23.430 -4.046 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.209 -24.043 -5.383 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.258 -24.219 -2.490 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -6.841 -24.776 -2.995 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.176 -25.737 -4.145 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -4.783 -27.874 -3.040 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -4.647 -26.558 -1.850 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.252 -27.116 -2.381 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -5.573 -27.383 -5.362 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.042 -26.628 -4.699 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.002 -25.718 -5.822 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.219 -21.548 -3.224 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.024 -20.371 -2.798 1.00 25.00 C ATOM 1150 C LEU A 77 -7.265 -19.450 -3.993 1.00 25.00 C ATOM 1151 O LEU A 77 -8.281 -18.790 -4.085 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.272 -19.607 -1.705 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.023 -20.536 -0.514 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.591 -19.706 0.697 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.308 -21.297 -0.180 1.00 50.00 C ATOM 0 H LEU A 77 -5.299 -21.623 -2.789 1.00 25.00 H new ATOM 0 HA LEU A 77 -7.983 -20.712 -2.409 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.324 -19.234 -2.093 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -6.851 -18.739 -1.389 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.237 -21.248 -0.767 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.413 -20.366 1.546 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.675 -19.166 0.460 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.377 -18.994 0.949 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -7.129 -21.958 0.668 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -8.096 -20.587 0.073 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -7.615 -21.888 -1.043 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.343 -19.402 -4.912 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.526 -18.525 -6.102 1.00 25.00 C ATOM 1169 C LYS A 78 -7.717 -19.025 -6.918 1.00 25.00 C ATOM 1170 O LYS A 78 -8.367 -18.271 -7.616 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.264 -18.569 -6.965 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.098 -17.947 -6.193 1.00 25.00 C ATOM 1173 CD LYS A 78 -2.872 -17.852 -7.105 1.00 50.00 C ATOM 1174 CE LYS A 78 -3.287 -17.280 -8.464 1.00 50.00 C ATOM 1175 NZ LYS A 78 -2.069 -16.960 -9.262 1.00 50.00 N ATOM 0 H LYS A 78 -5.471 -19.931 -4.891 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.709 -17.501 -5.777 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.029 -19.599 -7.233 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.428 -18.027 -7.896 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.374 -16.956 -5.833 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -3.866 -18.551 -5.316 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -2.114 -17.216 -6.647 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.425 -18.838 -7.235 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -3.907 -17.999 -8.999 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.889 -16.382 -8.324 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -2.351 -16.572 -10.185 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -1.494 -16.259 -8.752 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.511 -17.826 -9.407 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.007 -20.294 -6.836 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.156 -20.847 -7.607 1.00 25.00 C ATOM 1191 C ASP A 79 -10.466 -20.461 -6.919 1.00 25.00 C ATOM 1192 O ASP A 79 -11.470 -20.222 -7.561 1.00 25.00 O ATOM 1193 CB ASP A 79 -9.042 -22.371 -7.668 1.00 25.00 C ATOM 1194 CG ASP A 79 -10.219 -22.940 -8.463 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -11.024 -22.155 -8.934 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -10.294 -24.152 -8.585 1.00 50.00 O ATOM 0 H ASP A 79 -7.498 -20.972 -6.269 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.144 -20.440 -8.618 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.101 -22.657 -8.137 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.035 -22.786 -6.660 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.465 -20.401 -5.617 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.710 -20.033 -4.885 1.00 25.00 C ATOM 1203 C VAL A 80 -11.879 -18.513 -4.892 1.00 25.00 C ATOM 1204 O VAL A 80 -12.981 -18.001 -4.887 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.615 -20.527 -3.440 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -12.956 -20.312 -2.737 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -11.267 -22.017 -3.432 1.00 50.00 C ATOM 0 H VAL A 80 -9.655 -20.591 -5.027 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.568 -20.495 -5.374 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.838 -19.970 -2.916 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -12.888 -20.664 -1.708 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -13.203 -19.250 -2.742 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -13.734 -20.868 -3.260 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -11.199 -22.369 -2.403 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -12.043 -22.575 -3.956 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -10.310 -22.170 -3.932 1.00 50.00 H new ATOM 1217 N ALA A 81 -10.796 -17.787 -4.901 1.00 25.00 N ATOM 1218 CA ALA A 81 -10.896 -16.300 -4.905 1.00 25.00 C ATOM 1219 C ALA A 81 -11.582 -15.833 -6.190 1.00 25.00 C ATOM 1220 O ALA A 81 -12.080 -14.728 -6.272 1.00 25.00 O ATOM 1221 CB ALA A 81 -9.493 -15.696 -4.828 1.00 50.00 C ATOM 0 H ALA A 81 -9.846 -18.158 -4.906 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.482 -15.975 -4.045 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -9.564 -14.608 -4.831 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.005 -16.025 -3.911 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -8.908 -16.023 -5.688 1.00 50.00 H new ATOM 1227 N LYS A 82 -11.616 -16.665 -7.195 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.274 -16.264 -8.470 1.00 25.00 C ATOM 1229 C LYS A 82 -13.753 -16.645 -8.412 1.00 25.00 C ATOM 1230 O LYS A 82 -14.596 -15.998 -9.002 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.605 -16.987 -9.641 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.142 -16.553 -9.739 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.555 -17.035 -11.068 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.038 -16.845 -11.055 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.404 -17.959 -10.294 1.00 50.00 N ATOM 0 H LYS A 82 -11.217 -17.604 -7.188 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.178 -15.187 -8.610 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.667 -18.066 -9.499 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.127 -16.757 -10.570 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.068 -15.468 -9.669 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.572 -16.966 -8.906 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.799 -18.086 -11.226 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -9.995 -16.478 -11.895 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -7.655 -16.823 -12.075 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -7.785 -15.888 -10.599 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.372 -17.830 -10.285 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -7.761 -17.960 -9.317 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -7.636 -18.866 -10.748 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.073 -17.691 -7.704 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.494 -18.120 -7.602 1.00 25.00 C ATOM 1251 C ILE A 83 -16.294 -17.042 -6.875 1.00 25.00 C ATOM 1252 O ILE A 83 -17.438 -16.780 -7.188 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.572 -19.429 -6.816 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.758 -20.506 -7.538 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.033 -19.869 -6.708 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -15.094 -21.881 -6.954 1.00 50.00 C ATOM 0 H ILE A 83 -13.409 -18.269 -7.190 1.00 25.00 H new ATOM 0 HA ILE A 83 -15.906 -18.270 -8.600 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.165 -19.282 -5.816 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.979 -20.489 -8.605 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.692 -20.304 -7.430 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.091 -20.802 -6.148 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.608 -19.100 -6.192 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.443 -20.019 -7.707 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.514 -22.647 -7.469 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.851 -21.894 -5.892 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -16.157 -22.082 -7.085 1.00 50.00 H new ATOM 1268 N PHE A 84 -15.695 -16.418 -5.902 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.407 -15.356 -5.141 1.00 25.00 C ATOM 1270 C PHE A 84 -15.857 -13.985 -5.539 1.00 25.00 C ATOM 1271 O PHE A 84 -15.148 -13.918 -6.530 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.187 -15.582 -3.647 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.591 -16.993 -3.291 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -17.919 -17.275 -2.948 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -15.639 -18.019 -3.308 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -18.294 -18.584 -2.622 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -16.013 -19.327 -2.981 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.341 -19.611 -2.638 1.00 50.00 C ATOM 1279 OXT PHE A 84 -16.154 -13.026 -4.846 1.00 99.99 O ATOM 0 H PHE A 84 -14.738 -16.599 -5.599 1.00 25.00 H new ATOM 0 HA PHE A 84 -17.473 -15.393 -5.365 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.140 -15.416 -3.393 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -16.773 -14.867 -3.069 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -18.654 -16.483 -2.935 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -14.615 -17.801 -3.574 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -19.318 -18.802 -2.358 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -15.278 -20.118 -2.993 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.630 -20.621 -2.386 1.00 50.00 H new