USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 337 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 18 MET CE :methyl -133:sc= -3.71! (180deg=-3.06!) USER MOD Set 1.2: A 21 MET CE :methyl -177:sc= -4.6! (180deg=-4.64!) USER MOD Single : A 14 SER OG : rot 26:sc= -0.186 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.00152 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.649 K(o=-0.65,f=0) USER MOD Single : A 36 THR OG1 : rot 72:sc= 0.773 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.3) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 60:sc= -0.52 USER MOD Single : A 49 GLN : amide:sc= -0.0241 K(o=-0.024,f=-1.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ALA A 7 2.534 -14.648 -2.471 1.00 73.32 N ATOM 75 CA ALA A 7 1.563 -15.653 -2.887 1.00 52.20 C ATOM 76 C ALA A 7 0.957 -16.363 -1.681 1.00 51.13 C ATOM 77 O ALA A 7 1.242 -16.014 -0.536 1.00 21.25 O ATOM 78 CB ALA A 7 2.214 -16.660 -3.823 1.00 72.22 C ATOM 0 HA ALA A 7 0.758 -15.147 -3.420 1.00 52.20 H new ATOM 0 HB1 ALA A 7 1.478 -17.404 -4.126 1.00 72.22 H new ATOM 0 HB2 ALA A 7 2.593 -16.144 -4.706 1.00 72.22 H new ATOM 0 HB3 ALA A 7 3.039 -17.154 -3.309 1.00 72.22 H new ATOM 84 N ASP A 8 0.120 -17.359 -1.947 1.00 34.52 N ATOM 85 CA ASP A 8 -0.527 -18.119 -0.883 1.00 24.21 C ATOM 86 C ASP A 8 -0.257 -19.612 -1.040 1.00 61.34 C ATOM 87 O ASP A 8 0.098 -20.094 -2.117 1.00 1.25 O ATOM 88 CB ASP A 8 -2.034 -17.858 -0.883 1.00 44.42 C ATOM 89 CG ASP A 8 -2.487 -17.080 0.337 1.00 65.11 C ATOM 90 OD1 ASP A 8 -1.852 -16.053 0.654 1.00 11.34 O ATOM 91 OD2 ASP A 8 -3.475 -17.500 0.975 1.00 51.41 O ATOM 0 H ASP A 8 -0.127 -17.659 -2.890 1.00 34.52 H new ATOM 0 HA ASP A 8 -0.110 -17.791 0.069 1.00 24.21 H new ATOM 0 HB2 ASP A 8 -2.304 -17.306 -1.783 1.00 44.42 H new ATOM 0 HB3 ASP A 8 -2.565 -18.809 -0.921 1.00 44.42 H new ATOM 96 N PRO A 9 -0.428 -20.364 0.057 1.00 2.13 N ATOM 97 CA PRO A 9 -0.208 -21.813 0.067 1.00 63.25 C ATOM 98 C PRO A 9 -1.266 -22.565 -0.733 1.00 34.44 C ATOM 99 O PRO A 9 -0.985 -23.605 -1.329 1.00 31.12 O ATOM 100 CB PRO A 9 -0.300 -22.176 1.551 1.00 64.54 C ATOM 101 CG PRO A 9 -1.149 -21.110 2.150 1.00 52.51 C ATOM 102 CD PRO A 9 -0.850 -19.857 1.374 1.00 44.11 C ATOM 0 HA PRO A 9 0.742 -22.084 -0.393 1.00 63.25 H new ATOM 0 HB2 PRO A 9 -0.745 -23.161 1.691 1.00 64.54 H new ATOM 0 HB3 PRO A 9 0.687 -22.203 2.014 1.00 64.54 H new ATOM 0 HG2 PRO A 9 -2.206 -21.368 2.082 1.00 52.51 H new ATOM 0 HG3 PRO A 9 -0.921 -20.978 3.208 1.00 52.51 H new ATOM 0 HD2 PRO A 9 -1.727 -19.214 1.295 1.00 44.11 H new ATOM 0 HD3 PRO A 9 -0.065 -19.268 1.848 1.00 44.11 H new ATOM 110 N ARG A 10 -2.484 -22.033 -0.741 1.00 31.24 N ATOM 111 CA ARG A 10 -3.585 -22.655 -1.466 1.00 70.33 C ATOM 112 C ARG A 10 -3.665 -22.122 -2.894 1.00 33.22 C ATOM 113 O ARG A 10 -4.644 -22.360 -3.603 1.00 32.23 O ATOM 114 CB ARG A 10 -4.908 -22.404 -0.741 1.00 55.24 C ATOM 115 CG ARG A 10 -4.924 -22.910 0.692 1.00 61.44 C ATOM 116 CD ARG A 10 -4.973 -24.429 0.745 1.00 63.31 C ATOM 117 NE ARG A 10 -6.132 -24.914 1.489 1.00 11.11 N ATOM 118 CZ ARG A 10 -6.219 -24.886 2.814 1.00 22.24 C ATOM 119 NH1 ARG A 10 -5.220 -24.400 3.537 1.00 4.53 N ATOM 120 NH2 ARG A 10 -7.307 -25.346 3.419 1.00 1.41 N ATOM 0 H ARG A 10 -2.733 -21.172 -0.253 1.00 31.24 H new ATOM 0 HA ARG A 10 -3.400 -23.728 -1.507 1.00 70.33 H new ATOM 0 HB2 ARG A 10 -5.115 -21.334 -0.742 1.00 55.24 H new ATOM 0 HB3 ARG A 10 -5.713 -22.885 -1.296 1.00 55.24 H new ATOM 0 HG2 ARG A 10 -4.036 -22.555 1.214 1.00 61.44 H new ATOM 0 HG3 ARG A 10 -5.787 -22.498 1.215 1.00 61.44 H new ATOM 0 HD2 ARG A 10 -5.002 -24.826 -0.270 1.00 63.31 H new ATOM 0 HD3 ARG A 10 -4.061 -24.805 1.209 1.00 63.31 H new ATOM 0 HE ARG A 10 -6.918 -25.295 0.962 1.00 11.11 H new ATOM 0 HH11 ARG A 10 -4.382 -24.046 3.076 1.00 4.53 H new ATOM 0 HH12 ARG A 10 -5.290 -24.380 4.554 1.00 4.53 H new ATOM 0 HH21 ARG A 10 -8.078 -25.722 2.866 1.00 1.41 H new ATOM 0 HH22 ARG A 10 -7.373 -25.324 4.437 1.00 1.41 H new ATOM 134 N LEU A 11 -2.631 -21.400 -3.309 1.00 24.00 N ATOM 135 CA LEU A 11 -2.584 -20.832 -4.652 1.00 24.20 C ATOM 136 C LEU A 11 -1.382 -21.365 -5.426 1.00 51.54 C ATOM 137 O LEU A 11 -1.515 -21.816 -6.564 1.00 74.22 O ATOM 138 CB LEU A 11 -2.523 -19.305 -4.580 1.00 25.53 C ATOM 139 CG LEU A 11 -2.285 -18.580 -5.904 1.00 52.25 C ATOM 140 CD1 LEU A 11 -3.506 -18.698 -6.804 1.00 2.31 C ATOM 141 CD2 LEU A 11 -1.941 -17.118 -5.658 1.00 35.03 C ATOM 0 H LEU A 11 -1.813 -21.194 -2.735 1.00 24.00 H new ATOM 0 HA LEU A 11 -3.492 -21.128 -5.177 1.00 24.20 H new ATOM 0 HB2 LEU A 11 -3.459 -18.944 -4.154 1.00 25.53 H new ATOM 0 HB3 LEU A 11 -1.729 -19.025 -3.888 1.00 25.53 H new ATOM 0 HG LEU A 11 -1.441 -19.051 -6.407 1.00 52.25 H new ATOM 0 HD11 LEU A 11 -3.318 -18.176 -7.742 1.00 2.31 H new ATOM 0 HD12 LEU A 11 -3.707 -19.750 -7.008 1.00 2.31 H new ATOM 0 HD13 LEU A 11 -4.368 -18.253 -6.307 1.00 2.31 H new ATOM 0 HD21 LEU A 11 -1.775 -16.618 -6.612 1.00 35.03 H new ATOM 0 HD22 LEU A 11 -2.764 -16.634 -5.133 1.00 35.03 H new ATOM 0 HD23 LEU A 11 -1.037 -17.054 -5.052 1.00 35.03 H new ATOM 153 N ILE A 12 -0.211 -21.310 -4.802 1.00 3.13 N ATOM 154 CA ILE A 12 1.013 -21.790 -5.431 1.00 43.43 C ATOM 155 C ILE A 12 0.844 -23.215 -5.946 1.00 65.01 C ATOM 156 O ILE A 12 1.484 -23.613 -6.919 1.00 71.30 O ATOM 157 CB ILE A 12 2.203 -21.746 -4.454 1.00 61.24 C ATOM 158 CG1 ILE A 12 1.920 -22.622 -3.232 1.00 70.12 C ATOM 159 CG2 ILE A 12 2.489 -20.313 -4.031 1.00 72.10 C ATOM 160 CD1 ILE A 12 2.514 -24.010 -3.333 1.00 14.23 C ATOM 0 H ILE A 12 -0.084 -20.938 -3.861 1.00 3.13 H new ATOM 0 HA ILE A 12 1.218 -21.125 -6.270 1.00 43.43 H new ATOM 0 HB ILE A 12 3.085 -22.137 -4.961 1.00 61.24 H new ATOM 0 HG12 ILE A 12 2.315 -22.130 -2.343 1.00 70.12 H new ATOM 0 HG13 ILE A 12 0.842 -22.706 -3.097 1.00 70.12 H new ATOM 0 HG21 ILE A 12 3.332 -20.299 -3.341 1.00 72.10 H new ATOM 0 HG22 ILE A 12 2.730 -19.715 -4.910 1.00 72.10 H new ATOM 0 HG23 ILE A 12 1.610 -19.897 -3.539 1.00 72.10 H new ATOM 0 HD11 ILE A 12 2.274 -24.575 -2.432 1.00 14.23 H new ATOM 0 HD12 ILE A 12 2.100 -24.520 -4.203 1.00 14.23 H new ATOM 0 HD13 ILE A 12 3.596 -23.936 -3.437 1.00 14.23 H new ATOM 172 N GLU A 13 -0.022 -23.978 -5.287 1.00 52.21 N ATOM 173 CA GLU A 13 -0.276 -25.359 -5.680 1.00 23.14 C ATOM 174 C GLU A 13 -0.671 -25.443 -7.151 1.00 43.22 C ATOM 175 O GLU A 13 -0.219 -26.329 -7.877 1.00 10.33 O ATOM 176 CB GLU A 13 -1.378 -25.966 -4.809 1.00 50.00 C ATOM 177 CG GLU A 13 -2.676 -25.176 -4.832 1.00 60.44 C ATOM 178 CD GLU A 13 -3.699 -25.764 -5.785 1.00 40.33 C ATOM 179 OE1 GLU A 13 -3.289 -26.451 -6.744 1.00 75.22 O ATOM 180 OE2 GLU A 13 -4.908 -25.536 -5.573 1.00 11.13 O ATOM 0 H GLU A 13 -0.559 -23.663 -4.479 1.00 52.21 H new ATOM 0 HA GLU A 13 0.644 -25.925 -5.536 1.00 23.14 H new ATOM 0 HB2 GLU A 13 -1.576 -26.984 -5.145 1.00 50.00 H new ATOM 0 HB3 GLU A 13 -1.022 -26.033 -3.781 1.00 50.00 H new ATOM 0 HG2 GLU A 13 -3.096 -25.146 -3.827 1.00 60.44 H new ATOM 0 HG3 GLU A 13 -2.465 -24.146 -5.121 1.00 60.44 H new ATOM 187 N SER A 14 -1.517 -24.514 -7.584 1.00 72.14 N ATOM 188 CA SER A 14 -1.977 -24.485 -8.968 1.00 12.42 C ATOM 189 C SER A 14 -0.875 -23.983 -9.896 1.00 72.42 C ATOM 190 O SER A 14 -0.576 -24.605 -10.917 1.00 32.14 O ATOM 191 CB SER A 14 -3.214 -23.593 -9.097 1.00 63.05 C ATOM 192 OG SER A 14 -4.403 -24.339 -8.907 1.00 20.53 O ATOM 0 H SER A 14 -1.898 -23.772 -6.997 1.00 72.14 H new ATOM 0 HA SER A 14 -2.239 -25.502 -9.260 1.00 12.42 H new ATOM 0 HB2 SER A 14 -3.164 -22.789 -8.363 1.00 63.05 H new ATOM 0 HB3 SER A 14 -3.228 -23.125 -10.082 1.00 63.05 H new ATOM 0 HG SER A 14 -4.214 -25.118 -8.344 1.00 20.53 H new ATOM 198 N LEU A 15 -0.274 -22.855 -9.535 1.00 53.02 N ATOM 199 CA LEU A 15 0.796 -22.268 -10.335 1.00 34.22 C ATOM 200 C LEU A 15 1.846 -23.315 -10.691 1.00 23.13 C ATOM 201 O LEU A 15 2.305 -23.386 -11.831 1.00 32.12 O ATOM 202 CB LEU A 15 1.449 -21.111 -9.578 1.00 14.54 C ATOM 203 CG LEU A 15 0.621 -19.829 -9.467 1.00 65.23 C ATOM 204 CD1 LEU A 15 0.567 -19.352 -8.024 1.00 40.44 C ATOM 205 CD2 LEU A 15 1.194 -18.745 -10.369 1.00 25.25 C ATOM 0 H LEU A 15 -0.509 -22.328 -8.694 1.00 53.02 H new ATOM 0 HA LEU A 15 0.360 -21.889 -11.259 1.00 34.22 H new ATOM 0 HB2 LEU A 15 1.691 -21.452 -8.571 1.00 14.54 H new ATOM 0 HB3 LEU A 15 2.392 -20.869 -10.068 1.00 14.54 H new ATOM 0 HG LEU A 15 -0.396 -20.046 -9.794 1.00 65.23 H new ATOM 0 HD11 LEU A 15 -0.026 -18.439 -7.964 1.00 40.44 H new ATOM 0 HD12 LEU A 15 0.110 -20.123 -7.403 1.00 40.44 H new ATOM 0 HD13 LEU A 15 1.578 -19.152 -7.669 1.00 40.44 H new ATOM 0 HD21 LEU A 15 0.593 -17.840 -10.278 1.00 25.25 H new ATOM 0 HD22 LEU A 15 2.221 -18.530 -10.073 1.00 25.25 H new ATOM 0 HD23 LEU A 15 1.179 -19.087 -11.404 1.00 25.25 H new ATOM 217 N SER A 16 2.222 -24.127 -9.708 1.00 34.33 N ATOM 218 CA SER A 16 3.219 -25.170 -9.917 1.00 4.13 C ATOM 219 C SER A 16 2.879 -26.010 -11.144 1.00 52.30 C ATOM 220 O SER A 16 3.768 -26.490 -11.846 1.00 62.00 O ATOM 221 CB SER A 16 3.316 -26.067 -8.681 1.00 63.45 C ATOM 222 OG SER A 16 4.539 -25.861 -7.995 1.00 50.35 O ATOM 0 H SER A 16 1.851 -24.082 -8.759 1.00 34.33 H new ATOM 0 HA SER A 16 4.182 -24.689 -10.085 1.00 4.13 H new ATOM 0 HB2 SER A 16 2.481 -25.860 -8.012 1.00 63.45 H new ATOM 0 HB3 SER A 16 3.234 -27.112 -8.979 1.00 63.45 H new ATOM 0 HG SER A 16 4.575 -26.445 -7.209 1.00 50.35 H new ATOM 228 N GLN A 17 1.585 -26.182 -11.395 1.00 40.51 N ATOM 229 CA GLN A 17 1.126 -26.964 -12.537 1.00 3.20 C ATOM 230 C GLN A 17 1.187 -26.141 -13.820 1.00 20.31 C ATOM 231 O GLN A 17 1.554 -26.651 -14.878 1.00 44.22 O ATOM 232 CB GLN A 17 -0.302 -27.459 -12.302 1.00 24.41 C ATOM 233 CG GLN A 17 -0.532 -28.009 -10.903 1.00 55.44 C ATOM 234 CD GLN A 17 -1.198 -29.371 -10.914 1.00 2.22 C ATOM 235 OE1 GLN A 17 -1.003 -30.163 -11.836 1.00 43.33 O ATOM 236 NE2 GLN A 17 -1.989 -29.651 -9.885 1.00 73.21 N ATOM 0 H GLN A 17 0.836 -25.791 -10.823 1.00 40.51 H new ATOM 0 HA GLN A 17 1.787 -27.823 -12.646 1.00 3.20 H new ATOM 0 HB2 GLN A 17 -0.996 -26.638 -12.479 1.00 24.41 H new ATOM 0 HB3 GLN A 17 -0.533 -28.235 -13.031 1.00 24.41 H new ATOM 0 HG2 GLN A 17 0.423 -28.080 -10.383 1.00 55.44 H new ATOM 0 HG3 GLN A 17 -1.151 -27.311 -10.339 1.00 55.44 H new ATOM 0 HE21 GLN A 17 -2.122 -28.965 -9.142 1.00 73.21 H new ATOM 0 HE22 GLN A 17 -2.464 -30.553 -9.837 1.00 73.21 H new ATOM 245 N MET A 18 0.824 -24.867 -13.718 1.00 11.03 N ATOM 246 CA MET A 18 0.838 -23.974 -14.871 1.00 1.15 C ATOM 247 C MET A 18 2.266 -23.712 -15.338 1.00 24.03 C ATOM 248 O MET A 18 2.618 -23.999 -16.483 1.00 24.44 O ATOM 249 CB MET A 18 0.151 -22.651 -14.526 1.00 70.13 C ATOM 250 CG MET A 18 -1.220 -22.825 -13.894 1.00 74.12 C ATOM 251 SD MET A 18 -2.558 -22.290 -14.979 1.00 0.05 S ATOM 252 CE MET A 18 -2.089 -23.086 -16.513 1.00 43.51 C ATOM 0 H MET A 18 0.517 -24.430 -12.849 1.00 11.03 H new ATOM 0 HA MET A 18 0.293 -24.458 -15.681 1.00 1.15 H new ATOM 0 HB2 MET A 18 0.788 -22.088 -13.844 1.00 70.13 H new ATOM 0 HB3 MET A 18 0.051 -22.056 -15.434 1.00 70.13 H new ATOM 0 HG2 MET A 18 -1.366 -23.873 -13.634 1.00 74.12 H new ATOM 0 HG3 MET A 18 -1.262 -22.257 -12.965 1.00 74.12 H new ATOM 0 HE1 MET A 18 -2.159 -22.369 -17.331 1.00 43.51 H new ATOM 0 HE2 MET A 18 -1.064 -23.449 -16.436 1.00 43.51 H new ATOM 0 HE3 MET A 18 -2.758 -23.925 -16.707 1.00 43.51 H new ATOM 262 N LEU A 19 3.085 -23.165 -14.446 1.00 32.13 N ATOM 263 CA LEU A 19 4.476 -22.864 -14.767 1.00 34.10 C ATOM 264 C LEU A 19 5.195 -24.105 -15.286 1.00 5.23 C ATOM 265 O LEU A 19 6.075 -24.012 -16.142 1.00 3.24 O ATOM 266 CB LEU A 19 5.198 -22.320 -13.534 1.00 2.44 C ATOM 267 CG LEU A 19 4.492 -21.187 -12.787 1.00 71.23 C ATOM 268 CD1 LEU A 19 5.318 -20.740 -11.591 1.00 54.21 C ATOM 269 CD2 LEU A 19 4.227 -20.016 -13.722 1.00 75.34 C ATOM 0 H LEU A 19 2.810 -22.921 -13.495 1.00 32.13 H new ATOM 0 HA LEU A 19 4.487 -22.106 -15.550 1.00 34.10 H new ATOM 0 HB2 LEU A 19 5.357 -23.144 -12.838 1.00 2.44 H new ATOM 0 HB3 LEU A 19 6.183 -21.968 -13.841 1.00 2.44 H new ATOM 0 HG LEU A 19 3.535 -21.559 -12.422 1.00 71.23 H new ATOM 0 HD11 LEU A 19 4.800 -19.934 -11.072 1.00 54.21 H new ATOM 0 HD12 LEU A 19 5.456 -21.580 -10.910 1.00 54.21 H new ATOM 0 HD13 LEU A 19 6.291 -20.386 -11.932 1.00 54.21 H new ATOM 0 HD21 LEU A 19 3.724 -19.219 -13.174 1.00 75.34 H new ATOM 0 HD22 LEU A 19 5.173 -19.644 -14.117 1.00 75.34 H new ATOM 0 HD23 LEU A 19 3.594 -20.345 -14.546 1.00 75.34 H new ATOM 281 N SER A 20 4.814 -25.266 -14.763 1.00 41.11 N ATOM 282 CA SER A 20 5.424 -26.526 -15.172 1.00 43.52 C ATOM 283 C SER A 20 4.844 -27.004 -16.500 1.00 24.13 C ATOM 284 O SER A 20 5.510 -27.701 -17.265 1.00 43.31 O ATOM 285 CB SER A 20 5.213 -27.592 -14.096 1.00 73.31 C ATOM 286 OG SER A 20 5.914 -28.782 -14.413 1.00 31.31 O ATOM 0 H SER A 20 4.086 -25.360 -14.055 1.00 41.11 H new ATOM 0 HA SER A 20 6.493 -26.359 -15.302 1.00 43.52 H new ATOM 0 HB2 SER A 20 5.552 -27.212 -13.132 1.00 73.31 H new ATOM 0 HB3 SER A 20 4.149 -27.808 -13.997 1.00 73.31 H new ATOM 0 HG SER A 20 5.764 -29.447 -13.709 1.00 31.31 H new ATOM 292 N MET A 21 3.599 -26.625 -16.765 1.00 54.31 N ATOM 293 CA MET A 21 2.928 -27.014 -18.000 1.00 44.25 C ATOM 294 C MET A 21 3.411 -26.164 -19.172 1.00 23.23 C ATOM 295 O MET A 21 3.501 -26.642 -20.302 1.00 11.40 O ATOM 296 CB MET A 21 1.412 -26.878 -17.848 1.00 22.22 C ATOM 297 CG MET A 21 0.723 -28.174 -17.452 1.00 0.10 C ATOM 298 SD MET A 21 -1.072 -28.015 -17.389 1.00 41.14 S ATOM 299 CE MET A 21 -1.248 -26.569 -16.347 1.00 24.01 C ATOM 0 H MET A 21 3.034 -26.049 -16.141 1.00 54.31 H new ATOM 0 HA MET A 21 3.173 -28.056 -18.204 1.00 44.25 H new ATOM 0 HB2 MET A 21 1.197 -26.118 -17.097 1.00 22.22 H new ATOM 0 HB3 MET A 21 0.991 -26.525 -18.789 1.00 22.22 H new ATOM 0 HG2 MET A 21 0.990 -28.955 -18.164 1.00 0.10 H new ATOM 0 HG3 MET A 21 1.090 -28.493 -16.476 1.00 0.10 H new ATOM 0 HE1 MET A 21 -2.306 -26.374 -16.170 1.00 24.01 H new ATOM 0 HE2 MET A 21 -0.747 -26.744 -15.395 1.00 24.01 H new ATOM 0 HE3 MET A 21 -0.798 -25.708 -16.841 1.00 24.01 H new ATOM 309 N GLY A 22 3.721 -24.901 -18.893 1.00 61.43 N ATOM 310 CA GLY A 22 4.190 -24.006 -19.934 1.00 44.14 C ATOM 311 C GLY A 22 3.582 -22.622 -19.826 1.00 4.40 C ATOM 312 O GLY A 22 3.081 -22.077 -20.810 1.00 3.11 O ATOM 0 H GLY A 22 3.656 -24.483 -17.965 1.00 61.43 H new ATOM 0 HA2 GLY A 22 5.276 -23.928 -19.879 1.00 44.14 H new ATOM 0 HA3 GLY A 22 3.950 -24.430 -20.909 1.00 44.14 H new ATOM 316 N PHE A 23 3.624 -22.051 -18.627 1.00 3.04 N ATOM 317 CA PHE A 23 3.071 -20.722 -18.392 1.00 74.43 C ATOM 318 C PHE A 23 3.970 -19.915 -17.461 1.00 13.04 C ATOM 319 O PHE A 23 4.993 -20.408 -16.987 1.00 23.11 O ATOM 320 CB PHE A 23 1.665 -20.830 -17.797 1.00 24.14 C ATOM 321 CG PHE A 23 0.667 -21.459 -18.726 1.00 30.21 C ATOM 322 CD1 PHE A 23 0.484 -22.833 -18.740 1.00 51.44 C ATOM 323 CD2 PHE A 23 -0.089 -20.677 -19.584 1.00 62.24 C ATOM 324 CE1 PHE A 23 -0.434 -23.414 -19.595 1.00 44.10 C ATOM 325 CE2 PHE A 23 -1.008 -21.253 -20.441 1.00 52.00 C ATOM 326 CZ PHE A 23 -1.181 -22.623 -20.445 1.00 74.15 C ATOM 0 H PHE A 23 4.035 -22.488 -17.802 1.00 3.04 H new ATOM 0 HA PHE A 23 3.014 -20.205 -19.350 1.00 74.43 H new ATOM 0 HB2 PHE A 23 1.712 -21.414 -16.878 1.00 24.14 H new ATOM 0 HB3 PHE A 23 1.317 -19.834 -17.524 1.00 24.14 H new ATOM 0 HD1 PHE A 23 1.065 -23.456 -18.076 1.00 51.44 H new ATOM 0 HD2 PHE A 23 0.041 -19.605 -19.583 1.00 62.24 H new ATOM 0 HE1 PHE A 23 -0.567 -24.486 -19.598 1.00 44.10 H new ATOM 0 HE2 PHE A 23 -1.590 -20.632 -21.106 1.00 52.00 H new ATOM 0 HZ PHE A 23 -1.900 -23.075 -21.112 1.00 74.15 H new ATOM 336 N SER A 24 3.579 -18.671 -17.203 1.00 5.22 N ATOM 337 CA SER A 24 4.351 -17.793 -16.332 1.00 5.53 C ATOM 338 C SER A 24 3.431 -16.875 -15.532 1.00 45.01 C ATOM 339 O SER A 24 2.214 -17.055 -15.522 1.00 14.15 O ATOM 340 CB SER A 24 5.333 -16.957 -17.155 1.00 44.03 C ATOM 341 OG SER A 24 6.528 -16.714 -16.432 1.00 72.34 O ATOM 0 H SER A 24 2.733 -18.249 -17.585 1.00 5.22 H new ATOM 0 HA SER A 24 4.911 -18.416 -15.634 1.00 5.53 H new ATOM 0 HB2 SER A 24 5.566 -17.475 -18.085 1.00 44.03 H new ATOM 0 HB3 SER A 24 4.869 -16.009 -17.426 1.00 44.03 H new ATOM 0 HG SER A 24 7.139 -16.179 -16.981 1.00 72.34 H new ATOM 347 N ASP A 25 4.023 -15.891 -14.864 1.00 22.35 N ATOM 348 CA ASP A 25 3.258 -14.944 -14.061 1.00 41.23 C ATOM 349 C ASP A 25 3.640 -13.508 -14.405 1.00 42.44 C ATOM 350 O ASP A 25 3.615 -12.626 -13.547 1.00 20.51 O ATOM 351 CB ASP A 25 3.487 -15.203 -12.571 1.00 43.34 C ATOM 352 CG ASP A 25 4.959 -15.263 -12.214 1.00 24.10 C ATOM 353 OD1 ASP A 25 5.735 -14.444 -12.751 1.00 32.13 O ATOM 354 OD2 ASP A 25 5.336 -16.129 -11.397 1.00 0.11 O ATOM 0 H ASP A 25 5.030 -15.728 -14.863 1.00 22.35 H new ATOM 0 HA ASP A 25 2.201 -15.084 -14.287 1.00 41.23 H new ATOM 0 HB2 ASP A 25 3.007 -14.415 -11.990 1.00 43.34 H new ATOM 0 HB3 ASP A 25 3.009 -16.142 -12.291 1.00 43.34 H new ATOM 359 N GLU A 26 3.995 -13.281 -15.666 1.00 55.34 N ATOM 360 CA GLU A 26 4.384 -11.951 -16.122 1.00 73.55 C ATOM 361 C GLU A 26 3.329 -10.916 -15.744 1.00 0.25 C ATOM 362 O GLU A 26 2.203 -10.950 -16.239 1.00 23.45 O ATOM 363 CB GLU A 26 4.595 -11.949 -17.638 1.00 31.50 C ATOM 364 CG GLU A 26 5.749 -12.827 -18.093 1.00 1.22 C ATOM 365 CD GLU A 26 6.666 -12.122 -19.074 1.00 21.23 C ATOM 366 OE1 GLU A 26 6.205 -11.791 -20.186 1.00 35.24 O ATOM 367 OE2 GLU A 26 7.846 -11.902 -18.728 1.00 51.43 O ATOM 0 H GLU A 26 4.021 -14.000 -16.389 1.00 55.34 H new ATOM 0 HA GLU A 26 5.320 -11.686 -15.631 1.00 73.55 H new ATOM 0 HB2 GLU A 26 3.679 -12.286 -18.124 1.00 31.50 H new ATOM 0 HB3 GLU A 26 4.775 -10.926 -17.970 1.00 31.50 H new ATOM 0 HG2 GLU A 26 6.326 -13.142 -17.224 1.00 1.22 H new ATOM 0 HG3 GLU A 26 5.353 -13.730 -18.557 1.00 1.22 H new ATOM 374 N GLY A 27 3.703 -9.995 -14.861 1.00 11.55 N ATOM 375 CA GLY A 27 2.779 -8.962 -14.429 1.00 74.30 C ATOM 376 C GLY A 27 1.906 -9.412 -13.274 1.00 11.51 C ATOM 377 O GLY A 27 1.805 -8.724 -12.259 1.00 2.12 O ATOM 0 H GLY A 27 4.629 -9.946 -14.437 1.00 11.55 H new ATOM 0 HA2 GLY A 27 3.341 -8.077 -14.132 1.00 74.30 H new ATOM 0 HA3 GLY A 27 2.146 -8.671 -15.267 1.00 74.30 H new ATOM 381 N GLY A 28 1.271 -10.570 -13.429 1.00 41.40 N ATOM 382 CA GLY A 28 0.409 -11.089 -12.383 1.00 41.14 C ATOM 383 C GLY A 28 -0.913 -11.598 -12.922 1.00 32.23 C ATOM 384 O GLY A 28 -1.974 -11.278 -12.385 1.00 42.13 O ATOM 0 H GLY A 28 1.338 -11.158 -14.260 1.00 41.40 H new ATOM 0 HA2 GLY A 28 0.921 -11.898 -11.862 1.00 41.14 H new ATOM 0 HA3 GLY A 28 0.221 -10.306 -11.649 1.00 41.14 H new ATOM 388 N TRP A 29 -0.851 -12.391 -13.985 1.00 22.40 N ATOM 389 CA TRP A 29 -2.054 -12.945 -14.597 1.00 44.52 C ATOM 390 C TRP A 29 -2.357 -14.332 -14.044 1.00 35.25 C ATOM 391 O TRP A 29 -3.484 -14.820 -14.148 1.00 24.31 O ATOM 392 CB TRP A 29 -1.892 -13.012 -16.117 1.00 32.33 C ATOM 393 CG TRP A 29 -1.007 -14.133 -16.571 1.00 23.14 C ATOM 394 CD1 TRP A 29 0.355 -14.110 -16.678 1.00 34.22 C ATOM 395 CD2 TRP A 29 -1.421 -15.441 -16.980 1.00 54.21 C ATOM 396 NE1 TRP A 29 0.811 -15.325 -17.129 1.00 61.03 N ATOM 397 CE2 TRP A 29 -0.259 -16.159 -17.321 1.00 44.24 C ATOM 398 CE3 TRP A 29 -2.661 -16.076 -17.090 1.00 14.14 C ATOM 399 CZ2 TRP A 29 -0.302 -17.478 -17.765 1.00 41.10 C ATOM 400 CZ3 TRP A 29 -2.703 -17.385 -17.530 1.00 43.13 C ATOM 401 CH2 TRP A 29 -1.529 -18.075 -17.863 1.00 13.11 C ATOM 0 H TRP A 29 0.019 -12.665 -14.441 1.00 22.40 H new ATOM 0 HA TRP A 29 -2.890 -12.289 -14.356 1.00 44.52 H new ATOM 0 HB2 TRP A 29 -2.874 -13.126 -16.575 1.00 32.33 H new ATOM 0 HB3 TRP A 29 -1.481 -12.067 -16.473 1.00 32.33 H new ATOM 0 HD1 TRP A 29 0.981 -13.262 -16.443 1.00 34.22 H new ATOM 0 HE1 TRP A 29 1.788 -15.567 -17.294 1.00 61.03 H new ATOM 0 HE3 TRP A 29 -3.571 -15.553 -16.835 1.00 14.14 H new ATOM 0 HZ2 TRP A 29 0.601 -18.011 -18.023 1.00 41.10 H new ATOM 0 HZ3 TRP A 29 -3.656 -17.885 -17.619 1.00 43.13 H new ATOM 0 HH2 TRP A 29 -1.594 -19.098 -18.204 1.00 13.11 H new ATOM 412 N LEU A 30 -1.348 -14.963 -13.455 1.00 21.55 N ATOM 413 CA LEU A 30 -1.508 -16.296 -12.883 1.00 63.35 C ATOM 414 C LEU A 30 -1.601 -16.229 -11.362 1.00 73.55 C ATOM 415 O LEU A 30 -1.697 -17.256 -10.689 1.00 62.22 O ATOM 416 CB LEU A 30 -0.338 -17.193 -13.295 1.00 54.40 C ATOM 417 CG LEU A 30 -0.574 -18.699 -13.179 1.00 11.11 C ATOM 418 CD1 LEU A 30 -1.688 -19.139 -14.116 1.00 41.24 C ATOM 419 CD2 LEU A 30 0.708 -19.464 -13.475 1.00 12.40 C ATOM 0 H LEU A 30 -0.410 -14.574 -13.361 1.00 21.55 H new ATOM 0 HA LEU A 30 -2.436 -16.720 -13.267 1.00 63.35 H new ATOM 0 HB2 LEU A 30 -0.078 -16.965 -14.329 1.00 54.40 H new ATOM 0 HB3 LEU A 30 0.526 -16.933 -12.684 1.00 54.40 H new ATOM 0 HG LEU A 30 -0.879 -18.922 -12.156 1.00 11.11 H new ATOM 0 HD11 LEU A 30 -1.841 -20.214 -14.019 1.00 41.24 H new ATOM 0 HD12 LEU A 30 -2.609 -18.616 -13.857 1.00 41.24 H new ATOM 0 HD13 LEU A 30 -1.413 -18.903 -15.144 1.00 41.24 H new ATOM 0 HD21 LEU A 30 0.521 -20.534 -13.388 1.00 12.40 H new ATOM 0 HD22 LEU A 30 1.043 -19.235 -14.487 1.00 12.40 H new ATOM 0 HD23 LEU A 30 1.479 -19.171 -12.763 1.00 12.40 H new ATOM 431 N THR A 31 -1.575 -15.013 -10.826 1.00 32.31 N ATOM 432 CA THR A 31 -1.658 -14.812 -9.385 1.00 10.11 C ATOM 433 C THR A 31 -3.103 -14.621 -8.939 1.00 31.15 C ATOM 434 O THR A 31 -3.435 -14.830 -7.771 1.00 42.35 O ATOM 435 CB THR A 31 -0.830 -13.592 -8.940 1.00 1.23 C ATOM 436 OG1 THR A 31 -0.932 -13.421 -7.522 1.00 35.03 O ATOM 437 CG2 THR A 31 -1.305 -12.329 -9.643 1.00 61.42 C ATOM 0 H THR A 31 -1.497 -14.153 -11.368 1.00 32.31 H new ATOM 0 HA THR A 31 -1.252 -15.708 -8.917 1.00 10.11 H new ATOM 0 HB THR A 31 0.211 -13.770 -9.210 1.00 1.23 H new ATOM 0 HG1 THR A 31 -0.401 -12.644 -7.247 1.00 35.03 H new ATOM 0 HG21 THR A 31 -0.705 -11.481 -9.312 1.00 61.42 H new ATOM 0 HG22 THR A 31 -1.198 -12.451 -10.721 1.00 61.42 H new ATOM 0 HG23 THR A 31 -2.352 -12.149 -9.400 1.00 61.42 H new ATOM 445 N ARG A 32 -3.959 -14.224 -9.874 1.00 71.24 N ATOM 446 CA ARG A 32 -5.369 -14.005 -9.577 1.00 13.05 C ATOM 447 C ARG A 32 -6.250 -14.943 -10.396 1.00 74.21 C ATOM 448 O ARG A 32 -7.360 -15.286 -9.986 1.00 72.23 O ATOM 449 CB ARG A 32 -5.752 -12.551 -9.860 1.00 33.23 C ATOM 450 CG ARG A 32 -4.898 -11.540 -9.113 1.00 11.21 C ATOM 451 CD ARG A 32 -5.603 -11.027 -7.867 1.00 54.22 C ATOM 452 NE ARG A 32 -5.834 -9.586 -7.923 1.00 54.23 N ATOM 453 CZ ARG A 32 -6.253 -8.868 -6.887 1.00 51.21 C ATOM 454 NH1 ARG A 32 -6.485 -9.454 -5.721 1.00 11.24 N ATOM 455 NH2 ARG A 32 -6.440 -7.561 -7.017 1.00 12.55 N ATOM 0 H ARG A 32 -3.700 -14.047 -10.845 1.00 71.24 H new ATOM 0 HA ARG A 32 -5.528 -14.216 -8.520 1.00 13.05 H new ATOM 0 HB2 ARG A 32 -5.669 -12.364 -10.931 1.00 33.23 H new ATOM 0 HB3 ARG A 32 -6.797 -12.400 -9.591 1.00 33.23 H new ATOM 0 HG2 ARG A 32 -3.950 -11.999 -8.833 1.00 11.21 H new ATOM 0 HG3 ARG A 32 -4.664 -10.703 -9.771 1.00 11.21 H new ATOM 0 HD2 ARG A 32 -6.556 -11.543 -7.752 1.00 54.22 H new ATOM 0 HD3 ARG A 32 -5.004 -11.264 -6.988 1.00 54.22 H new ATOM 0 HE ARG A 32 -5.664 -9.105 -8.806 1.00 54.23 H new ATOM 0 HH11 ARG A 32 -6.342 -10.459 -5.618 1.00 11.24 H new ATOM 0 HH12 ARG A 32 -6.807 -8.900 -4.927 1.00 11.24 H new ATOM 0 HH21 ARG A 32 -6.262 -7.107 -7.913 1.00 12.55 H new ATOM 0 HH22 ARG A 32 -6.762 -7.010 -6.221 1.00 12.55 H new ATOM 469 N LEU A 33 -5.749 -15.354 -11.556 1.00 33.43 N ATOM 470 CA LEU A 33 -6.491 -16.253 -12.434 1.00 4.11 C ATOM 471 C LEU A 33 -6.981 -17.479 -11.670 1.00 55.42 C ATOM 472 O LEU A 33 -8.162 -17.825 -11.724 1.00 73.21 O ATOM 473 CB LEU A 33 -5.613 -16.688 -13.609 1.00 53.32 C ATOM 474 CG LEU A 33 -6.066 -17.943 -14.356 1.00 50.44 C ATOM 475 CD1 LEU A 33 -7.488 -17.775 -14.868 1.00 74.31 C ATOM 476 CD2 LEU A 33 -5.117 -18.251 -15.505 1.00 42.12 C ATOM 0 H LEU A 33 -4.833 -15.079 -11.910 1.00 33.43 H new ATOM 0 HA LEU A 33 -7.359 -15.715 -12.815 1.00 4.11 H new ATOM 0 HB2 LEU A 33 -5.560 -15.865 -14.321 1.00 53.32 H new ATOM 0 HB3 LEU A 33 -4.602 -16.855 -13.239 1.00 53.32 H new ATOM 0 HG LEU A 33 -6.048 -18.783 -13.661 1.00 50.44 H new ATOM 0 HD11 LEU A 33 -7.793 -18.678 -15.397 1.00 74.31 H new ATOM 0 HD12 LEU A 33 -8.160 -17.603 -14.027 1.00 74.31 H new ATOM 0 HD13 LEU A 33 -7.532 -16.924 -15.548 1.00 74.31 H new ATOM 0 HD21 LEU A 33 -5.455 -19.147 -16.026 1.00 42.12 H new ATOM 0 HD22 LEU A 33 -5.103 -17.411 -16.200 1.00 42.12 H new ATOM 0 HD23 LEU A 33 -4.113 -18.415 -15.114 1.00 42.12 H new ATOM 488 N LEU A 34 -6.069 -18.130 -10.958 1.00 2.22 N ATOM 489 CA LEU A 34 -6.409 -19.316 -10.180 1.00 62.42 C ATOM 490 C LEU A 34 -7.426 -18.982 -9.093 1.00 64.24 C ATOM 491 O LEU A 34 -8.411 -19.697 -8.912 1.00 51.32 O ATOM 492 CB LEU A 34 -5.150 -19.915 -9.550 1.00 72.32 C ATOM 493 CG LEU A 34 -4.211 -20.657 -10.502 1.00 32.41 C ATOM 494 CD1 LEU A 34 -4.977 -21.700 -11.302 1.00 2.21 C ATOM 495 CD2 LEU A 34 -3.511 -19.677 -11.432 1.00 23.53 C ATOM 0 H LEU A 34 -5.088 -17.857 -10.903 1.00 2.22 H new ATOM 0 HA LEU A 34 -6.854 -20.047 -10.855 1.00 62.42 H new ATOM 0 HB2 LEU A 34 -4.590 -19.112 -9.072 1.00 72.32 H new ATOM 0 HB3 LEU A 34 -5.455 -20.604 -8.762 1.00 72.32 H new ATOM 0 HG LEU A 34 -3.453 -21.169 -9.909 1.00 32.41 H new ATOM 0 HD11 LEU A 34 -4.293 -22.218 -11.974 1.00 2.21 H new ATOM 0 HD12 LEU A 34 -5.431 -22.420 -10.621 1.00 2.21 H new ATOM 0 HD13 LEU A 34 -5.757 -21.211 -11.885 1.00 2.21 H new ATOM 0 HD21 LEU A 34 -2.847 -20.223 -12.102 1.00 23.53 H new ATOM 0 HD22 LEU A 34 -4.255 -19.137 -12.018 1.00 23.53 H new ATOM 0 HD23 LEU A 34 -2.929 -18.968 -10.843 1.00 23.53 H new ATOM 507 N GLN A 35 -7.180 -17.891 -8.375 1.00 64.14 N ATOM 508 CA GLN A 35 -8.075 -17.462 -7.308 1.00 11.13 C ATOM 509 C GLN A 35 -9.508 -17.338 -7.816 1.00 21.34 C ATOM 510 O GLN A 35 -10.463 -17.591 -7.081 1.00 31.44 O ATOM 511 CB GLN A 35 -7.609 -16.125 -6.729 1.00 53.55 C ATOM 512 CG GLN A 35 -6.208 -16.171 -6.142 1.00 41.33 C ATOM 513 CD GLN A 35 -5.841 -14.897 -5.407 1.00 41.43 C ATOM 514 OE1 GLN A 35 -5.312 -14.938 -4.296 1.00 44.43 O ATOM 515 NE2 GLN A 35 -6.120 -13.755 -6.025 1.00 53.12 N ATOM 0 H GLN A 35 -6.369 -17.289 -8.513 1.00 64.14 H new ATOM 0 HA GLN A 35 -8.051 -18.218 -6.523 1.00 11.13 H new ATOM 0 HB2 GLN A 35 -7.641 -15.368 -7.513 1.00 53.55 H new ATOM 0 HB3 GLN A 35 -8.308 -15.811 -5.954 1.00 53.55 H new ATOM 0 HG2 GLN A 35 -6.133 -17.016 -5.457 1.00 41.33 H new ATOM 0 HG3 GLN A 35 -5.488 -16.344 -6.942 1.00 41.33 H new ATOM 0 HE21 GLN A 35 -6.559 -13.767 -6.946 1.00 53.12 H new ATOM 0 HE22 GLN A 35 -5.895 -12.866 -5.579 1.00 53.12 H new ATOM 524 N THR A 36 -9.651 -16.947 -9.078 1.00 54.01 N ATOM 525 CA THR A 36 -10.967 -16.788 -9.684 1.00 73.11 C ATOM 526 C THR A 36 -11.548 -18.135 -10.098 1.00 35.45 C ATOM 527 O THR A 36 -12.764 -18.289 -10.216 1.00 33.01 O ATOM 528 CB THR A 36 -10.910 -15.866 -10.917 1.00 35.31 C ATOM 529 OG1 THR A 36 -9.551 -15.673 -11.322 1.00 4.34 O ATOM 530 CG2 THR A 36 -11.552 -14.520 -10.616 1.00 21.20 C ATOM 0 H THR A 36 -8.871 -16.735 -9.701 1.00 54.01 H new ATOM 0 HA THR A 36 -11.610 -16.334 -8.929 1.00 73.11 H new ATOM 0 HB THR A 36 -11.465 -16.342 -11.726 1.00 35.31 H new ATOM 0 HG1 THR A 36 -9.212 -16.496 -11.731 1.00 4.34 H new ATOM 0 HG21 THR A 36 -11.500 -13.886 -11.501 1.00 21.20 H new ATOM 0 HG22 THR A 36 -12.595 -14.669 -10.337 1.00 21.20 H new ATOM 0 HG23 THR A 36 -11.022 -14.040 -9.794 1.00 21.20 H new ATOM 538 N LYS A 37 -10.673 -19.110 -10.316 1.00 24.44 N ATOM 539 CA LYS A 37 -11.098 -20.447 -10.714 1.00 52.11 C ATOM 540 C LYS A 37 -11.056 -21.407 -9.530 1.00 23.23 C ATOM 541 O LYS A 37 -11.120 -22.623 -9.702 1.00 70.45 O ATOM 542 CB LYS A 37 -10.208 -20.973 -11.843 1.00 12.53 C ATOM 543 CG LYS A 37 -10.180 -20.071 -13.065 1.00 73.51 C ATOM 544 CD LYS A 37 -11.581 -19.793 -13.585 1.00 23.20 C ATOM 545 CE LYS A 37 -11.559 -19.372 -15.046 1.00 53.42 C ATOM 546 NZ LYS A 37 -12.887 -19.555 -15.696 1.00 24.20 N ATOM 0 H LYS A 37 -9.663 -18.999 -10.224 1.00 24.44 H new ATOM 0 HA LYS A 37 -12.126 -20.383 -11.070 1.00 52.11 H new ATOM 0 HB2 LYS A 37 -9.192 -21.094 -11.467 1.00 12.53 H new ATOM 0 HB3 LYS A 37 -10.558 -21.962 -12.139 1.00 12.53 H new ATOM 0 HG2 LYS A 37 -9.691 -19.130 -12.813 1.00 73.51 H new ATOM 0 HG3 LYS A 37 -9.586 -20.539 -13.850 1.00 73.51 H new ATOM 0 HD2 LYS A 37 -12.196 -20.686 -13.472 1.00 23.20 H new ATOM 0 HD3 LYS A 37 -12.044 -19.009 -12.986 1.00 23.20 H new ATOM 0 HE2 LYS A 37 -11.260 -18.326 -15.118 1.00 53.42 H new ATOM 0 HE3 LYS A 37 -10.809 -19.955 -15.581 1.00 53.42 H new ATOM 0 HZ1 LYS A 37 -12.831 -19.257 -16.691 1.00 24.20 H new ATOM 0 HZ2 LYS A 37 -13.161 -20.557 -15.650 1.00 24.20 H new ATOM 0 HZ3 LYS A 37 -13.598 -18.979 -15.202 1.00 24.20 H new ATOM 560 N ASN A 38 -10.948 -20.852 -8.327 1.00 53.20 N ATOM 561 CA ASN A 38 -10.898 -21.660 -7.114 1.00 13.32 C ATOM 562 C ASN A 38 -9.691 -22.592 -7.131 1.00 31.43 C ATOM 563 O ASN A 38 -9.788 -23.758 -6.745 1.00 53.31 O ATOM 564 CB ASN A 38 -12.185 -22.475 -6.966 1.00 4.13 C ATOM 565 CG ASN A 38 -12.329 -23.081 -5.583 1.00 51.20 C ATOM 566 OD1 ASN A 38 -12.425 -22.365 -4.586 1.00 44.32 O ATOM 567 ND2 ASN A 38 -12.345 -24.407 -5.517 1.00 75.02 N ATOM 0 H ASN A 38 -10.893 -19.846 -8.166 1.00 53.20 H new ATOM 0 HA ASN A 38 -10.802 -20.987 -6.262 1.00 13.32 H new ATOM 0 HB2 ASN A 38 -13.043 -21.835 -7.170 1.00 4.13 H new ATOM 0 HB3 ASN A 38 -12.196 -23.270 -7.711 1.00 4.13 H new ATOM 0 HD21 ASN A 38 -12.440 -24.872 -4.614 1.00 75.02 H new ATOM 0 HD22 ASN A 38 -12.263 -24.961 -6.369 1.00 75.02 H new ATOM 574 N TYR A 39 -8.554 -22.072 -7.579 1.00 55.53 N ATOM 575 CA TYR A 39 -7.328 -22.858 -7.648 1.00 53.53 C ATOM 576 C TYR A 39 -7.527 -24.103 -8.506 1.00 73.41 C ATOM 577 O TYR A 39 -7.325 -25.227 -8.045 1.00 41.12 O ATOM 578 CB TYR A 39 -6.875 -23.259 -6.244 1.00 13.05 C ATOM 579 CG TYR A 39 -7.011 -22.151 -5.224 1.00 3.22 C ATOM 580 CD1 TYR A 39 -6.390 -20.923 -5.417 1.00 3.10 C ATOM 581 CD2 TYR A 39 -7.759 -22.332 -4.067 1.00 43.31 C ATOM 582 CE1 TYR A 39 -6.510 -19.908 -4.488 1.00 1.42 C ATOM 583 CE2 TYR A 39 -7.886 -21.322 -3.133 1.00 44.33 C ATOM 584 CZ TYR A 39 -7.259 -20.112 -3.348 1.00 13.40 C ATOM 585 OH TYR A 39 -7.382 -19.103 -2.419 1.00 72.55 O ATOM 0 H TYR A 39 -8.456 -21.109 -7.900 1.00 55.53 H new ATOM 0 HA TYR A 39 -6.556 -22.241 -8.109 1.00 53.53 H new ATOM 0 HB2 TYR A 39 -7.459 -24.118 -5.915 1.00 13.05 H new ATOM 0 HB3 TYR A 39 -5.834 -23.578 -6.285 1.00 13.05 H new ATOM 0 HD1 TYR A 39 -5.803 -20.759 -6.309 1.00 3.10 H new ATOM 0 HD2 TYR A 39 -8.250 -23.279 -3.895 1.00 43.31 H new ATOM 0 HE1 TYR A 39 -6.020 -18.960 -4.653 1.00 1.42 H new ATOM 0 HE2 TYR A 39 -8.473 -21.479 -2.240 1.00 44.33 H new ATOM 0 HH TYR A 39 -7.943 -19.409 -1.676 1.00 72.55 H new ATOM 595 N ASP A 40 -7.925 -23.895 -9.756 1.00 64.25 N ATOM 596 CA ASP A 40 -8.150 -25.000 -10.681 1.00 61.12 C ATOM 597 C ASP A 40 -7.078 -25.028 -11.766 1.00 51.33 C ATOM 598 O ASP A 40 -6.529 -23.989 -12.136 1.00 71.45 O ATOM 599 CB ASP A 40 -9.536 -24.886 -11.318 1.00 44.54 C ATOM 600 CG ASP A 40 -10.539 -25.838 -10.698 1.00 65.43 C ATOM 601 OD1 ASP A 40 -10.381 -26.173 -9.505 1.00 44.13 O ATOM 602 OD2 ASP A 40 -11.482 -26.249 -11.406 1.00 21.02 O ATOM 0 H ASP A 40 -8.099 -22.971 -10.152 1.00 64.25 H new ATOM 0 HA ASP A 40 -8.094 -25.931 -10.117 1.00 61.12 H new ATOM 0 HB2 ASP A 40 -9.898 -23.863 -11.213 1.00 44.54 H new ATOM 0 HB3 ASP A 40 -9.459 -25.089 -12.386 1.00 44.54 H new ATOM 607 N ILE A 41 -6.785 -26.221 -12.271 1.00 22.31 N ATOM 608 CA ILE A 41 -5.779 -26.383 -13.313 1.00 61.42 C ATOM 609 C ILE A 41 -6.429 -26.571 -14.680 1.00 3.30 C ATOM 610 O ILE A 41 -5.846 -26.229 -15.708 1.00 51.41 O ATOM 611 CB ILE A 41 -4.859 -27.585 -13.026 1.00 2.52 C ATOM 612 CG1 ILE A 41 -4.558 -27.677 -11.528 1.00 62.45 C ATOM 613 CG2 ILE A 41 -3.569 -27.467 -13.824 1.00 53.05 C ATOM 614 CD1 ILE A 41 -3.928 -26.425 -10.960 1.00 21.21 C ATOM 0 H ILE A 41 -7.230 -27.090 -11.975 1.00 22.31 H new ATOM 0 HA ILE A 41 -5.182 -25.471 -13.319 1.00 61.42 H new ATOM 0 HB ILE A 41 -5.371 -28.497 -13.332 1.00 2.52 H new ATOM 0 HG12 ILE A 41 -5.484 -27.883 -10.992 1.00 62.45 H new ATOM 0 HG13 ILE A 41 -3.892 -28.522 -11.351 1.00 62.45 H new ATOM 0 HG21 ILE A 41 -2.929 -28.323 -13.611 1.00 53.05 H new ATOM 0 HG22 ILE A 41 -3.801 -27.444 -14.889 1.00 53.05 H new ATOM 0 HG23 ILE A 41 -3.051 -26.549 -13.545 1.00 53.05 H new ATOM 0 HD11 ILE A 41 -3.743 -26.562 -9.895 1.00 21.21 H new ATOM 0 HD12 ILE A 41 -2.985 -26.229 -11.470 1.00 21.21 H new ATOM 0 HD13 ILE A 41 -4.602 -25.581 -11.105 1.00 21.21 H new ATOM 626 N GLY A 42 -7.642 -27.115 -14.683 1.00 63.50 N ATOM 627 CA GLY A 42 -8.352 -27.337 -15.929 1.00 31.31 C ATOM 628 C GLY A 42 -9.105 -26.107 -16.394 1.00 14.12 C ATOM 629 O GLY A 42 -9.441 -25.984 -17.571 1.00 61.54 O ATOM 0 H GLY A 42 -8.146 -27.406 -13.845 1.00 63.50 H new ATOM 0 HA2 GLY A 42 -7.642 -27.637 -16.700 1.00 31.31 H new ATOM 0 HA3 GLY A 42 -9.053 -28.162 -15.802 1.00 31.31 H new ATOM 633 N ALA A 43 -9.374 -25.194 -15.466 1.00 45.43 N ATOM 634 CA ALA A 43 -10.092 -23.967 -15.788 1.00 2.44 C ATOM 635 C ALA A 43 -9.126 -22.844 -16.151 1.00 62.12 C ATOM 636 O ALA A 43 -9.442 -21.982 -16.971 1.00 5.15 O ATOM 637 CB ALA A 43 -10.973 -23.550 -14.619 1.00 41.44 C ATOM 0 H ALA A 43 -9.106 -25.281 -14.486 1.00 45.43 H new ATOM 0 HA ALA A 43 -10.724 -24.162 -16.655 1.00 2.44 H new ATOM 0 HB1 ALA A 43 -11.504 -22.632 -14.873 1.00 41.44 H new ATOM 0 HB2 ALA A 43 -11.694 -24.339 -14.407 1.00 41.44 H new ATOM 0 HB3 ALA A 43 -10.353 -23.379 -13.739 1.00 41.44 H new ATOM 643 N ALA A 44 -7.948 -22.861 -15.536 1.00 41.01 N ATOM 644 CA ALA A 44 -6.936 -21.845 -15.796 1.00 65.13 C ATOM 645 C ALA A 44 -6.200 -22.125 -17.102 1.00 62.23 C ATOM 646 O ALA A 44 -5.546 -21.243 -17.660 1.00 53.33 O ATOM 647 CB ALA A 44 -5.951 -21.772 -14.639 1.00 21.43 C ATOM 0 H ALA A 44 -7.671 -23.567 -14.854 1.00 41.01 H new ATOM 0 HA ALA A 44 -7.439 -20.883 -15.891 1.00 65.13 H new ATOM 0 HB1 ALA A 44 -5.201 -21.009 -14.847 1.00 21.43 H new ATOM 0 HB2 ALA A 44 -6.484 -21.517 -13.723 1.00 21.43 H new ATOM 0 HB3 ALA A 44 -5.461 -22.738 -14.517 1.00 21.43 H new ATOM 653 N LEU A 45 -6.309 -23.358 -17.585 1.00 13.02 N ATOM 654 CA LEU A 45 -5.653 -23.755 -18.826 1.00 55.10 C ATOM 655 C LEU A 45 -6.401 -23.206 -20.037 1.00 35.12 C ATOM 656 O LEU A 45 -5.846 -23.111 -21.131 1.00 71.24 O ATOM 657 CB LEU A 45 -5.566 -25.279 -18.915 1.00 24.55 C ATOM 658 CG LEU A 45 -4.371 -25.925 -18.211 1.00 41.14 C ATOM 659 CD1 LEU A 45 -4.584 -27.424 -18.065 1.00 4.41 C ATOM 660 CD2 LEU A 45 -3.085 -25.639 -18.973 1.00 52.33 C ATOM 0 H LEU A 45 -6.846 -24.100 -17.136 1.00 13.02 H new ATOM 0 HA LEU A 45 -4.646 -23.339 -18.825 1.00 55.10 H new ATOM 0 HB2 LEU A 45 -6.480 -25.700 -18.497 1.00 24.55 H new ATOM 0 HB3 LEU A 45 -5.538 -25.561 -19.968 1.00 24.55 H new ATOM 0 HG LEU A 45 -4.283 -25.492 -17.214 1.00 41.14 H new ATOM 0 HD11 LEU A 45 -3.724 -27.866 -17.562 1.00 4.41 H new ATOM 0 HD12 LEU A 45 -5.483 -27.608 -17.476 1.00 4.41 H new ATOM 0 HD13 LEU A 45 -4.698 -27.873 -19.052 1.00 4.41 H new ATOM 0 HD21 LEU A 45 -2.245 -26.106 -18.458 1.00 52.33 H new ATOM 0 HD22 LEU A 45 -3.162 -26.044 -19.982 1.00 52.33 H new ATOM 0 HD23 LEU A 45 -2.925 -24.562 -19.025 1.00 52.33 H new ATOM 672 N ASP A 46 -7.663 -22.844 -19.832 1.00 71.40 N ATOM 673 CA ASP A 46 -8.487 -22.301 -20.906 1.00 62.50 C ATOM 674 C ASP A 46 -8.771 -20.820 -20.677 1.00 70.22 C ATOM 675 O ASP A 46 -9.761 -20.282 -21.174 1.00 72.41 O ATOM 676 CB ASP A 46 -9.802 -23.076 -21.010 1.00 42.33 C ATOM 677 CG ASP A 46 -10.074 -23.567 -22.418 1.00 54.24 C ATOM 678 OD1 ASP A 46 -9.139 -24.099 -23.053 1.00 54.10 O ATOM 679 OD2 ASP A 46 -11.223 -23.420 -22.886 1.00 1.14 O ATOM 0 H ASP A 46 -8.138 -22.917 -18.932 1.00 71.40 H new ATOM 0 HA ASP A 46 -7.938 -22.406 -21.841 1.00 62.50 H new ATOM 0 HB2 ASP A 46 -9.773 -23.928 -20.330 1.00 42.33 H new ATOM 0 HB3 ASP A 46 -10.624 -22.437 -20.686 1.00 42.33 H new ATOM 684 N THR A 47 -7.896 -20.165 -19.920 1.00 52.13 N ATOM 685 CA THR A 47 -8.054 -18.747 -19.623 1.00 41.13 C ATOM 686 C THR A 47 -6.954 -17.922 -20.281 1.00 3.20 C ATOM 687 O THR A 47 -6.737 -16.763 -19.925 1.00 54.12 O ATOM 688 CB THR A 47 -8.038 -18.486 -18.105 1.00 51.44 C ATOM 689 OG1 THR A 47 -8.773 -19.509 -17.424 1.00 65.04 O ATOM 690 CG2 THR A 47 -8.638 -17.125 -17.784 1.00 43.12 C ATOM 0 H THR A 47 -7.071 -20.594 -19.502 1.00 52.13 H new ATOM 0 HA THR A 47 -9.021 -18.445 -20.026 1.00 41.13 H new ATOM 0 HB THR A 47 -7.002 -18.498 -17.767 1.00 51.44 H new ATOM 0 HG1 THR A 47 -8.366 -20.381 -17.607 1.00 65.04 H new ATOM 0 HG21 THR A 47 -8.616 -16.963 -16.706 1.00 43.12 H new ATOM 0 HG22 THR A 47 -8.059 -16.346 -18.280 1.00 43.12 H new ATOM 0 HG23 THR A 47 -9.669 -17.090 -18.135 1.00 43.12 H new ATOM 698 N ILE A 48 -6.262 -18.525 -21.242 1.00 20.35 N ATOM 699 CA ILE A 48 -5.185 -17.845 -21.950 1.00 11.42 C ATOM 700 C ILE A 48 -5.479 -17.756 -23.443 1.00 73.35 C ATOM 701 O ILE A 48 -5.066 -16.810 -24.112 1.00 5.50 O ATOM 702 CB ILE A 48 -3.836 -18.559 -21.745 1.00 35.50 C ATOM 703 CG1 ILE A 48 -3.825 -19.300 -20.406 1.00 72.12 C ATOM 704 CG2 ILE A 48 -2.691 -17.560 -21.813 1.00 75.03 C ATOM 705 CD1 ILE A 48 -4.340 -20.720 -20.497 1.00 4.34 C ATOM 0 H ILE A 48 -6.428 -19.484 -21.548 1.00 20.35 H new ATOM 0 HA ILE A 48 -5.120 -16.839 -21.534 1.00 11.42 H new ATOM 0 HB ILE A 48 -3.703 -19.288 -22.544 1.00 35.50 H new ATOM 0 HG12 ILE A 48 -2.807 -19.316 -20.017 1.00 72.12 H new ATOM 0 HG13 ILE A 48 -4.432 -18.747 -19.689 1.00 72.12 H new ATOM 0 HG21 ILE A 48 -1.745 -18.081 -21.666 1.00 75.03 H new ATOM 0 HG22 ILE A 48 -2.690 -17.074 -22.788 1.00 75.03 H new ATOM 0 HG23 ILE A 48 -2.817 -16.809 -21.033 1.00 75.03 H new ATOM 0 HD11 ILE A 48 -4.303 -21.184 -19.511 1.00 4.34 H new ATOM 0 HD12 ILE A 48 -5.369 -20.711 -20.856 1.00 4.34 H new ATOM 0 HD13 ILE A 48 -3.719 -21.289 -21.189 1.00 4.34 H new ATOM 717 N GLN A 49 -6.198 -18.748 -23.959 1.00 63.52 N ATOM 718 CA GLN A 49 -6.548 -18.782 -25.374 1.00 52.21 C ATOM 719 C GLN A 49 -7.174 -17.461 -25.811 1.00 64.23 C ATOM 720 O GLN A 49 -6.788 -16.887 -26.830 1.00 23.22 O ATOM 721 CB GLN A 49 -7.514 -19.935 -25.655 1.00 44.40 C ATOM 722 CG GLN A 49 -6.955 -21.299 -25.286 1.00 70.54 C ATOM 723 CD GLN A 49 -5.947 -21.810 -26.297 1.00 73.13 C ATOM 724 OE1 GLN A 49 -5.974 -21.425 -27.466 1.00 44.55 O ATOM 725 NE2 GLN A 49 -5.051 -22.683 -25.851 1.00 52.34 N ATOM 0 H GLN A 49 -6.549 -19.538 -23.418 1.00 63.52 H new ATOM 0 HA GLN A 49 -5.633 -18.937 -25.945 1.00 52.21 H new ATOM 0 HB2 GLN A 49 -8.438 -19.768 -25.101 1.00 44.40 H new ATOM 0 HB3 GLN A 49 -7.773 -19.932 -26.714 1.00 44.40 H new ATOM 0 HG2 GLN A 49 -6.483 -21.241 -24.305 1.00 70.54 H new ATOM 0 HG3 GLN A 49 -7.774 -22.013 -25.203 1.00 70.54 H new ATOM 0 HE21 GLN A 49 -5.066 -22.974 -24.874 1.00 52.34 H new ATOM 0 HE22 GLN A 49 -4.348 -23.062 -26.486 1.00 52.34 H new ATOM 734 N TYR A 50 -8.141 -16.985 -25.035 1.00 61.13 N ATOM 735 CA TYR A 50 -8.822 -15.733 -25.344 1.00 21.31 C ATOM 736 C TYR A 50 -9.758 -15.328 -24.209 1.00 63.12 C ATOM 737 O TYR A 50 -9.858 -14.151 -23.862 1.00 60.35 O ATOM 738 CB TYR A 50 -9.611 -15.866 -26.648 1.00 4.42 C ATOM 739 CG TYR A 50 -10.714 -16.898 -26.586 1.00 41.41 C ATOM 740 CD1 TYR A 50 -11.996 -16.549 -26.178 1.00 24.23 C ATOM 741 CD2 TYR A 50 -10.475 -18.221 -26.935 1.00 42.00 C ATOM 742 CE1 TYR A 50 -13.007 -17.489 -26.119 1.00 43.31 C ATOM 743 CE2 TYR A 50 -11.480 -19.167 -26.881 1.00 11.22 C ATOM 744 CZ TYR A 50 -12.744 -18.796 -26.472 1.00 52.01 C ATOM 745 OH TYR A 50 -13.748 -19.736 -26.415 1.00 41.54 O ATOM 0 H TYR A 50 -8.471 -17.447 -24.188 1.00 61.13 H new ATOM 0 HA TYR A 50 -8.066 -14.957 -25.462 1.00 21.31 H new ATOM 0 HB2 TYR A 50 -10.044 -14.898 -26.901 1.00 4.42 H new ATOM 0 HB3 TYR A 50 -8.925 -16.128 -27.453 1.00 4.42 H new ATOM 0 HD1 TYR A 50 -12.205 -15.526 -25.902 1.00 24.23 H new ATOM 0 HD2 TYR A 50 -9.486 -18.515 -27.254 1.00 42.00 H new ATOM 0 HE1 TYR A 50 -13.998 -17.202 -25.798 1.00 43.31 H new ATOM 0 HE2 TYR A 50 -11.277 -20.191 -27.157 1.00 11.22 H new ATOM 0 HH TYR A 50 -13.397 -20.607 -26.697 1.00 41.54 H new