USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 46 MET CE :methyl 151:sc=-0.00737 (180deg=0) USER MOD Set 1.2: B 9 ASN : amide:sc= -0.331 K(o=-0.34,f=-0.99) USER MOD Set 2.1: A 11 MET CE :methyl -123:sc= -0.162 (180deg=-0.374) USER MOD Set 2.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.62 K(o=-1.6,f=-7.9!) USER MOD Single : A 33 GLN : amide:sc= -0.082 X(o=-0.082,f=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -6.74! C(o=-6.7!,f=-5.2!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.834! USER MOD Single : A 42 LYS NZ :NH3+ -112:sc= 0.583 (180deg=-0.0955) USER MOD Single : A 44 THR OG1 : rot 85:sc= -1.67 USER MOD Single : A 52 ASN : amide:sc= -3.88! K(o=-3.9!,f=-2.9) USER MOD Single : A 53 SER OG : rot 180:sc= -0.308 USER MOD Single : A 57 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.23) USER MOD Single : A 58 MET CE :methyl -160:sc= -2.27 (180deg=-3.55!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 70:sc= 0.725 USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= 0.787 (180deg=0.54) USER MOD Single : A 77 GLN : amide:sc= -4.23! C(o=-4.2!,f=-7.4!) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ -142:sc= -0.0291 (180deg=-1.22) USER MOD Single : B 7 SER OG : rot 129:sc= -1! USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot -166:sc= -1.28 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.249 -7.799 -12.220 1.00 0.00 N ATOM 95 CA THR A 8 -4.072 -6.630 -11.923 1.00 0.00 C ATOM 96 C THR A 8 -5.109 -6.400 -13.007 1.00 0.00 C ATOM 97 O THR A 8 -6.257 -6.068 -12.712 1.00 0.00 O ATOM 98 CB THR A 8 -3.191 -5.383 -11.789 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.589 -5.061 -13.031 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.082 -5.530 -10.769 1.00 0.00 C ATOM 0 HA THR A 8 -4.588 -6.817 -10.981 1.00 0.00 H new ATOM 0 HB THR A 8 -3.864 -4.594 -11.454 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.032 -4.262 -12.927 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.500 -4.609 -10.729 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.514 -5.730 -9.788 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.432 -6.357 -11.055 1.00 0.00 H new ATOM 108 N ALA A 9 -4.725 -6.605 -14.259 1.00 0.00 N ATOM 109 CA ALA A 9 -5.666 -6.440 -15.353 1.00 0.00 C ATOM 110 C ALA A 9 -6.854 -7.359 -15.126 1.00 0.00 C ATOM 111 O ALA A 9 -7.966 -6.904 -14.859 1.00 0.00 O ATOM 112 CB ALA A 9 -4.999 -6.731 -16.690 1.00 0.00 C ATOM 0 H ALA A 9 -3.784 -6.881 -14.538 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.011 -5.407 -15.381 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.723 -6.601 -17.494 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.166 -6.044 -16.838 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.630 -7.757 -16.697 1.00 0.00 H new ATOM 118 N SER A 10 -6.615 -8.658 -15.250 1.00 0.00 N ATOM 119 CA SER A 10 -7.668 -9.649 -15.070 1.00 0.00 C ATOM 120 C SER A 10 -8.323 -9.543 -13.693 1.00 0.00 C ATOM 121 O SER A 10 -9.471 -9.954 -13.522 1.00 0.00 O ATOM 122 CB SER A 10 -7.104 -11.058 -15.270 1.00 0.00 C ATOM 123 OG SER A 10 -7.764 -11.730 -16.330 1.00 0.00 O ATOM 0 H SER A 10 -5.701 -9.050 -15.475 1.00 0.00 H new ATOM 0 HA SER A 10 -8.435 -9.451 -15.819 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.037 -10.998 -15.483 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.214 -11.630 -14.349 1.00 0.00 H new ATOM 0 HG SER A 10 -7.383 -12.626 -16.437 1.00 0.00 H new ATOM 129 N MET A 11 -7.609 -8.990 -12.713 1.00 0.00 N ATOM 130 CA MET A 11 -8.169 -8.858 -11.376 1.00 0.00 C ATOM 131 C MET A 11 -9.378 -7.936 -11.419 1.00 0.00 C ATOM 132 O MET A 11 -10.419 -8.225 -10.826 1.00 0.00 O ATOM 133 CB MET A 11 -7.094 -8.356 -10.401 1.00 0.00 C ATOM 134 CG MET A 11 -7.412 -7.046 -9.702 1.00 0.00 C ATOM 135 SD MET A 11 -8.683 -7.218 -8.434 1.00 0.00 S ATOM 136 CE MET A 11 -7.785 -8.122 -7.172 1.00 0.00 C ATOM 0 H MET A 11 -6.659 -8.633 -12.819 1.00 0.00 H new ATOM 0 HA MET A 11 -8.504 -9.831 -11.016 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.928 -9.122 -9.643 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.158 -8.239 -10.947 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.503 -6.653 -9.247 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.740 -6.316 -10.442 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.311 -9.049 -6.945 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.783 -8.352 -7.533 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.715 -7.515 -6.270 1.00 0.00 H new ATOM 146 N LEU A 12 -9.242 -6.841 -12.147 1.00 0.00 N ATOM 147 CA LEU A 12 -10.331 -5.889 -12.298 1.00 0.00 C ATOM 148 C LEU A 12 -11.557 -6.595 -12.866 1.00 0.00 C ATOM 149 O LEU A 12 -12.628 -6.589 -12.260 1.00 0.00 O ATOM 150 CB LEU A 12 -9.909 -4.731 -13.216 1.00 0.00 C ATOM 151 CG LEU A 12 -10.348 -3.332 -12.764 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.689 -2.967 -13.380 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.423 -3.252 -11.248 1.00 0.00 C ATOM 0 H LEU A 12 -8.388 -6.588 -12.644 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.579 -5.478 -11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.823 -4.740 -13.306 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.313 -4.915 -14.212 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.602 -2.616 -13.108 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.983 -1.972 -13.047 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.605 -2.976 -14.467 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.442 -3.691 -13.068 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.736 -2.251 -10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.144 -3.982 -10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.442 -3.466 -10.823 1.00 0.00 H new ATOM 165 N ALA A 13 -11.377 -7.228 -14.022 1.00 0.00 N ATOM 166 CA ALA A 13 -12.449 -7.974 -14.672 1.00 0.00 C ATOM 167 C ALA A 13 -12.774 -9.268 -13.918 1.00 0.00 C ATOM 168 O ALA A 13 -13.567 -10.085 -14.386 1.00 0.00 O ATOM 169 CB ALA A 13 -12.062 -8.287 -16.102 1.00 0.00 C ATOM 0 H ALA A 13 -10.493 -7.238 -14.530 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.345 -7.353 -14.664 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.866 -8.844 -16.583 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.890 -7.357 -16.644 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.151 -8.885 -16.110 1.00 0.00 H new ATOM 175 N SER A 14 -12.169 -9.437 -12.746 1.00 0.00 N ATOM 176 CA SER A 14 -12.407 -10.618 -11.921 1.00 0.00 C ATOM 177 C SER A 14 -13.400 -10.316 -10.797 1.00 0.00 C ATOM 178 O SER A 14 -13.595 -11.137 -9.900 1.00 0.00 O ATOM 179 CB SER A 14 -11.095 -11.136 -11.324 1.00 0.00 C ATOM 180 OG SER A 14 -10.916 -12.514 -11.607 1.00 0.00 O ATOM 0 H SER A 14 -11.509 -8.770 -12.345 1.00 0.00 H new ATOM 0 HA SER A 14 -12.834 -11.387 -12.565 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.258 -10.567 -11.728 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.096 -10.980 -10.245 1.00 0.00 H new ATOM 0 HG SER A 14 -10.071 -12.821 -11.217 1.00 0.00 H new ATOM 186 N ALA A 15 -14.026 -9.141 -10.844 1.00 0.00 N ATOM 187 CA ALA A 15 -14.990 -8.755 -9.825 1.00 0.00 C ATOM 188 C ALA A 15 -16.209 -8.067 -10.442 1.00 0.00 C ATOM 189 O ALA A 15 -16.106 -7.430 -11.491 1.00 0.00 O ATOM 190 CB ALA A 15 -14.317 -7.846 -8.817 1.00 0.00 C ATOM 0 H ALA A 15 -13.881 -8.445 -11.575 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.345 -9.654 -9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.037 -7.555 -8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.485 -8.373 -8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.944 -6.955 -9.322 1.00 0.00 H new ATOM 196 N PRO A 16 -17.387 -8.207 -9.801 1.00 0.00 N ATOM 197 CA PRO A 16 -18.641 -7.619 -10.279 1.00 0.00 C ATOM 198 C PRO A 16 -18.469 -6.201 -10.831 1.00 0.00 C ATOM 199 O PRO A 16 -17.398 -5.605 -10.726 1.00 0.00 O ATOM 200 CB PRO A 16 -19.538 -7.594 -9.031 1.00 0.00 C ATOM 201 CG PRO A 16 -18.798 -8.320 -7.947 1.00 0.00 C ATOM 202 CD PRO A 16 -17.592 -8.970 -8.568 1.00 0.00 C ATOM 0 HA PRO A 16 -19.051 -8.196 -11.108 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.754 -6.568 -8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.495 -8.075 -9.234 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.496 -7.628 -7.161 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.439 -9.069 -7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.723 -8.913 -7.912 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.767 -10.026 -8.774 1.00 0.00 H new ATOM 210 N PRO A 17 -19.538 -5.641 -11.429 1.00 0.00 N ATOM 211 CA PRO A 17 -19.511 -4.290 -12.003 1.00 0.00 C ATOM 212 C PRO A 17 -18.925 -3.256 -11.045 1.00 0.00 C ATOM 213 O PRO A 17 -17.812 -2.776 -11.245 1.00 0.00 O ATOM 214 CB PRO A 17 -20.986 -3.997 -12.289 1.00 0.00 C ATOM 215 CG PRO A 17 -21.603 -5.337 -12.495 1.00 0.00 C ATOM 216 CD PRO A 17 -20.858 -6.281 -11.589 1.00 0.00 C ATOM 0 HA PRO A 17 -18.875 -4.235 -12.887 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.454 -3.469 -11.458 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.101 -3.368 -13.172 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.665 -5.319 -12.251 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.520 -5.649 -13.536 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.364 -6.400 -10.631 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.771 -7.274 -12.029 1.00 0.00 H new ATOM 224 N GLN A 18 -19.686 -2.915 -10.009 1.00 0.00 N ATOM 225 CA GLN A 18 -19.251 -1.931 -9.021 1.00 0.00 C ATOM 226 C GLN A 18 -18.015 -2.400 -8.266 1.00 0.00 C ATOM 227 O GLN A 18 -17.333 -1.600 -7.624 1.00 0.00 O ATOM 228 CB GLN A 18 -20.382 -1.628 -8.036 1.00 0.00 C ATOM 229 CG GLN A 18 -21.169 -2.856 -7.600 1.00 0.00 C ATOM 230 CD GLN A 18 -22.633 -2.774 -7.982 1.00 0.00 C ATOM 231 OE1 GLN A 18 -23.397 -2.009 -7.395 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.032 -3.561 -8.975 1.00 0.00 N ATOM 0 H GLN A 18 -20.611 -3.307 -9.831 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.989 -1.020 -9.559 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.962 -1.146 -7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.067 -0.914 -8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.728 -3.745 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.085 -2.972 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.365 -4.181 -9.434 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.006 -3.546 -9.278 1.00 0.00 H new ATOM 241 N GLU A 19 -17.710 -3.688 -8.356 1.00 0.00 N ATOM 242 CA GLU A 19 -16.535 -4.231 -7.689 1.00 0.00 C ATOM 243 C GLU A 19 -15.317 -4.106 -8.598 1.00 0.00 C ATOM 244 O GLU A 19 -14.452 -4.979 -8.623 1.00 0.00 O ATOM 245 CB GLU A 19 -16.766 -5.692 -7.296 1.00 0.00 C ATOM 246 CG GLU A 19 -17.284 -5.858 -5.874 1.00 0.00 C ATOM 247 CD GLU A 19 -16.355 -6.679 -4.995 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.313 -7.147 -5.501 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.672 -6.851 -3.799 1.00 0.00 O ATOM 0 H GLU A 19 -18.256 -4.372 -8.881 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.353 -3.660 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.478 -6.139 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.831 -6.242 -7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.423 -4.874 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.263 -6.336 -5.903 1.00 0.00 H new ATOM 256 N GLN A 20 -15.235 -2.977 -9.294 1.00 0.00 N ATOM 257 CA GLN A 20 -14.094 -2.685 -10.157 1.00 0.00 C ATOM 258 C GLN A 20 -12.868 -2.388 -9.303 1.00 0.00 C ATOM 259 O GLN A 20 -12.069 -3.270 -8.992 1.00 0.00 O ATOM 260 CB GLN A 20 -14.366 -1.510 -11.128 1.00 0.00 C ATOM 261 CG GLN A 20 -15.606 -0.682 -10.818 1.00 0.00 C ATOM 262 CD GLN A 20 -16.044 0.167 -11.994 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.219 0.178 -12.361 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.102 0.885 -12.592 1.00 0.00 N ATOM 0 H GLN A 20 -15.947 -2.247 -9.278 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.916 -3.568 -10.771 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.499 -0.850 -11.125 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.459 -1.909 -12.138 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.421 -1.347 -10.530 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.404 -0.037 -9.963 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.140 0.846 -12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.340 1.476 -13.389 1.00 0.00 H new ATOM 273 N LYS A 21 -12.756 -1.119 -8.919 1.00 0.00 N ATOM 274 CA LYS A 21 -11.661 -0.631 -8.082 1.00 0.00 C ATOM 275 C LYS A 21 -11.888 -0.976 -6.612 1.00 0.00 C ATOM 276 O LYS A 21 -11.211 -0.445 -5.731 1.00 0.00 O ATOM 277 CB LYS A 21 -11.501 0.884 -8.250 1.00 0.00 C ATOM 278 CG LYS A 21 -12.103 1.416 -9.539 1.00 0.00 C ATOM 279 CD LYS A 21 -11.481 0.758 -10.762 1.00 0.00 C ATOM 280 CE LYS A 21 -10.025 1.157 -10.933 1.00 0.00 C ATOM 281 NZ LYS A 21 -9.796 1.875 -12.219 1.00 0.00 N ATOM 0 H LYS A 21 -13.426 -0.396 -9.181 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.745 -1.126 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.970 1.387 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.441 1.135 -8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.179 1.240 -9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.956 2.495 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.553 -0.326 -10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.043 1.040 -11.653 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.723 1.794 -10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.397 0.267 -10.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.791 2.131 -12.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.061 1.258 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.376 2.738 -12.243 1.00 0.00 H new ATOM 295 N GLN A 22 -12.834 -1.872 -6.352 1.00 0.00 N ATOM 296 CA GLN A 22 -13.142 -2.292 -4.989 1.00 0.00 C ATOM 297 C GLN A 22 -11.941 -2.975 -4.344 1.00 0.00 C ATOM 298 O GLN A 22 -11.532 -2.613 -3.241 1.00 0.00 O ATOM 299 CB GLN A 22 -14.349 -3.239 -4.977 1.00 0.00 C ATOM 300 CG GLN A 22 -15.644 -2.584 -4.520 1.00 0.00 C ATOM 301 CD GLN A 22 -15.966 -2.857 -3.063 1.00 0.00 C ATOM 302 OE1 GLN A 22 -15.652 -2.053 -2.186 1.00 0.00 O ATOM 303 NE2 GLN A 22 -16.600 -3.993 -2.801 1.00 0.00 N ATOM 0 H GLN A 22 -13.402 -2.323 -7.069 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.385 -1.400 -4.412 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.492 -3.642 -5.980 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.130 -4.083 -4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.574 -1.507 -4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.465 -2.943 -5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.840 -4.630 -3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -16.847 -4.229 -1.840 1.00 0.00 H new ATOM 312 N MET A 23 -11.384 -3.970 -5.029 1.00 0.00 N ATOM 313 CA MET A 23 -10.235 -4.700 -4.507 1.00 0.00 C ATOM 314 C MET A 23 -8.994 -3.805 -4.435 1.00 0.00 C ATOM 315 O MET A 23 -8.785 -3.122 -3.437 1.00 0.00 O ATOM 316 CB MET A 23 -9.957 -5.949 -5.352 1.00 0.00 C ATOM 317 CG MET A 23 -11.181 -6.824 -5.580 1.00 0.00 C ATOM 318 SD MET A 23 -11.659 -7.750 -4.107 1.00 0.00 S ATOM 319 CE MET A 23 -10.850 -9.321 -4.414 1.00 0.00 C ATOM 0 H MET A 23 -11.708 -4.287 -5.942 1.00 0.00 H new ATOM 0 HA MET A 23 -10.474 -5.018 -3.492 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.558 -5.641 -6.318 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.184 -6.542 -4.863 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.015 -6.199 -5.898 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.978 -7.521 -6.393 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.053 -10.002 -3.588 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.230 -9.751 -5.341 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.775 -9.166 -4.500 1.00 0.00 H new ATOM 329 N LEU A 24 -8.168 -3.818 -5.486 1.00 0.00 N ATOM 330 CA LEU A 24 -6.943 -3.010 -5.512 1.00 0.00 C ATOM 331 C LEU A 24 -7.231 -1.513 -5.444 1.00 0.00 C ATOM 332 O LEU A 24 -6.877 -0.779 -6.366 1.00 0.00 O ATOM 333 CB LEU A 24 -6.092 -3.293 -6.767 1.00 0.00 C ATOM 334 CG LEU A 24 -6.759 -4.061 -7.906 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.844 -3.223 -8.557 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.709 -4.470 -8.927 1.00 0.00 C ATOM 0 H LEU A 24 -8.323 -4.376 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.385 -3.302 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.745 -2.338 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.208 -3.850 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.229 -4.957 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.306 -3.790 -9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.601 -2.967 -7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.406 -2.309 -8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.186 -5.018 -9.740 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.223 -3.580 -9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.964 -5.106 -8.448 1.00 0.00 H new ATOM 348 N GLY A 25 -7.860 -1.054 -4.359 1.00 0.00 N ATOM 349 CA GLY A 25 -8.160 0.362 -4.227 1.00 0.00 C ATOM 350 C GLY A 25 -8.327 1.037 -5.577 1.00 0.00 C ATOM 351 O GLY A 25 -8.885 0.444 -6.501 1.00 0.00 O ATOM 0 H GLY A 25 -8.164 -1.634 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.073 0.486 -3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.359 0.852 -3.673 1.00 0.00 H new ATOM 355 N GLU A 26 -7.813 2.252 -5.718 1.00 0.00 N ATOM 356 CA GLU A 26 -7.886 2.936 -7.003 1.00 0.00 C ATOM 357 C GLU A 26 -6.883 2.293 -7.967 1.00 0.00 C ATOM 358 O GLU A 26 -7.243 1.457 -8.795 1.00 0.00 O ATOM 359 CB GLU A 26 -7.633 4.455 -6.878 1.00 0.00 C ATOM 360 CG GLU A 26 -7.275 4.935 -5.473 1.00 0.00 C ATOM 361 CD GLU A 26 -7.367 6.440 -5.313 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.939 7.099 -6.200 1.00 0.00 O ATOM 363 OE2 GLU A 26 -6.869 6.959 -4.290 1.00 0.00 O ATOM 0 H GLU A 26 -7.350 2.776 -4.975 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.898 2.826 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.826 4.731 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.525 4.986 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.940 4.458 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.262 4.612 -5.233 1.00 0.00 H new ATOM 370 N ARG A 27 -5.622 2.707 -7.850 1.00 0.00 N ATOM 371 CA ARG A 27 -4.553 2.195 -8.712 1.00 0.00 C ATOM 372 C ARG A 27 -3.211 2.082 -7.985 1.00 0.00 C ATOM 373 O ARG A 27 -2.172 1.903 -8.626 1.00 0.00 O ATOM 374 CB ARG A 27 -4.381 3.103 -9.929 1.00 0.00 C ATOM 375 CG ARG A 27 -5.400 2.861 -11.026 1.00 0.00 C ATOM 376 CD ARG A 27 -5.245 1.478 -11.629 1.00 0.00 C ATOM 377 NE ARG A 27 -5.632 1.455 -13.038 1.00 0.00 N ATOM 378 CZ ARG A 27 -6.140 0.388 -13.654 1.00 0.00 C ATOM 379 NH1 ARG A 27 -6.300 -0.756 -12.998 1.00 0.00 N ATOM 380 NH2 ARG A 27 -6.482 0.465 -14.930 1.00 0.00 N ATOM 0 H ARG A 27 -5.313 3.397 -7.165 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.853 1.193 -9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.448 4.142 -9.607 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.381 2.960 -10.338 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.406 2.973 -10.621 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.284 3.614 -11.805 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.209 1.152 -11.531 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.856 0.768 -11.072 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.506 2.308 -13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.033 -0.822 -12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.690 -1.568 -13.477 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.357 1.340 -15.440 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.871 -0.350 -15.404 1.00 0.00 H new ATOM 394 N LEU A 28 -3.214 2.183 -6.660 1.00 0.00 N ATOM 395 CA LEU A 28 -1.967 2.088 -5.904 1.00 0.00 C ATOM 396 C LEU A 28 -1.481 0.646 -5.797 1.00 0.00 C ATOM 397 O LEU A 28 -0.288 0.385 -5.921 1.00 0.00 O ATOM 398 CB LEU A 28 -2.123 2.694 -4.511 1.00 0.00 C ATOM 399 CG LEU A 28 -2.436 4.187 -4.498 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.382 4.526 -3.361 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.158 5.006 -4.410 1.00 0.00 C ATOM 0 H LEU A 28 -4.050 2.328 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.216 2.658 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.919 2.165 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.204 2.524 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.931 4.441 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.592 5.595 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.313 3.972 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.921 4.254 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.406 6.067 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.625 4.751 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.526 4.787 -5.271 1.00 0.00 H new ATOM 413 N PHE A 29 -2.401 -0.289 -5.570 1.00 0.00 N ATOM 414 CA PHE A 29 -2.026 -1.699 -5.455 1.00 0.00 C ATOM 415 C PHE A 29 -1.117 -2.105 -6.610 1.00 0.00 C ATOM 416 O PHE A 29 -0.033 -2.631 -6.391 1.00 0.00 O ATOM 417 CB PHE A 29 -3.268 -2.591 -5.429 1.00 0.00 C ATOM 418 CG PHE A 29 -3.131 -3.873 -4.636 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.228 -4.005 -3.580 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.931 -4.960 -4.957 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.148 -5.201 -2.879 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.848 -6.143 -4.260 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.958 -6.265 -3.218 1.00 0.00 C ATOM 0 H PHE A 29 -3.398 -0.102 -5.463 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.485 -1.829 -4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.098 -2.017 -5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.533 -2.845 -6.455 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.591 -3.176 -3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.634 -4.876 -5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.447 -5.299 -2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.481 -6.975 -4.530 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.894 -7.191 -2.667 1.00 0.00 H new ATOM 433 N PRO A 30 -1.535 -1.847 -7.860 1.00 0.00 N ATOM 434 CA PRO A 30 -0.727 -2.182 -9.031 1.00 0.00 C ATOM 435 C PRO A 30 0.660 -1.543 -8.968 1.00 0.00 C ATOM 436 O PRO A 30 1.666 -2.193 -9.250 1.00 0.00 O ATOM 437 CB PRO A 30 -1.519 -1.615 -10.215 1.00 0.00 C ATOM 438 CG PRO A 30 -2.907 -1.393 -9.710 1.00 0.00 C ATOM 439 CD PRO A 30 -2.808 -1.203 -8.222 1.00 0.00 C ATOM 0 HA PRO A 30 -0.556 -3.256 -9.105 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.078 -0.683 -10.569 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.515 -2.309 -11.056 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.354 -0.518 -10.182 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.545 -2.244 -9.949 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.810 -0.146 -7.954 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.649 -1.665 -7.705 1.00 0.00 H new ATOM 447 N LEU A 31 0.702 -0.262 -8.606 1.00 0.00 N ATOM 448 CA LEU A 31 1.966 0.468 -8.518 1.00 0.00 C ATOM 449 C LEU A 31 2.819 -0.024 -7.348 1.00 0.00 C ATOM 450 O LEU A 31 4.021 -0.285 -7.490 1.00 0.00 O ATOM 451 CB LEU A 31 1.695 1.963 -8.372 1.00 0.00 C ATOM 452 CG LEU A 31 0.670 2.530 -9.357 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.066 3.829 -8.837 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.317 2.742 -10.713 1.00 0.00 C ATOM 0 H LEU A 31 -0.122 0.291 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 31 2.522 0.286 -9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.348 2.157 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.634 2.502 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.141 1.810 -9.463 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.658 4.208 -9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.432 3.643 -7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.856 4.566 -8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.581 3.146 -11.408 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.146 3.443 -10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.689 1.790 -11.091 1.00 0.00 H new ATOM 466 N ILE A 32 2.190 -0.177 -6.196 1.00 0.00 N ATOM 467 CA ILE A 32 2.900 -0.656 -5.028 1.00 0.00 C ATOM 468 C ILE A 32 3.313 -2.096 -5.257 1.00 0.00 C ATOM 469 O ILE A 32 4.447 -2.466 -4.979 1.00 0.00 O ATOM 470 CB ILE A 32 2.050 -0.547 -3.748 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.922 -0.743 -2.496 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.909 -1.540 -3.796 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.337 -2.174 -2.218 1.00 0.00 C ATOM 0 H ILE A 32 1.201 0.021 -6.047 1.00 0.00 H new ATOM 0 HA ILE A 32 3.780 -0.029 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 32 1.623 0.454 -3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.820 -0.134 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.378 -0.364 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.314 -1.455 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.281 -1.331 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.309 -2.551 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.948 -2.207 -1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.449 -2.790 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.913 -2.556 -3.061 1.00 0.00 H new ATOM 485 N GLN A 33 2.398 -2.902 -5.795 1.00 0.00 N ATOM 486 CA GLN A 33 2.698 -4.298 -6.085 1.00 0.00 C ATOM 487 C GLN A 33 4.101 -4.396 -6.688 1.00 0.00 C ATOM 488 O GLN A 33 4.898 -5.263 -6.329 1.00 0.00 O ATOM 489 CB GLN A 33 1.682 -4.884 -7.067 1.00 0.00 C ATOM 490 CG GLN A 33 1.389 -6.357 -6.835 1.00 0.00 C ATOM 491 CD GLN A 33 1.251 -7.134 -8.129 1.00 0.00 C ATOM 492 OE1 GLN A 33 1.772 -8.242 -8.261 1.00 0.00 O ATOM 493 NE2 GLN A 33 0.543 -6.555 -9.093 1.00 0.00 N ATOM 0 H GLN A 33 1.450 -2.612 -6.036 1.00 0.00 H new ATOM 0 HA GLN A 33 2.646 -4.865 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.751 -4.321 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.054 -4.752 -8.083 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.189 -6.793 -6.237 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.470 -6.454 -6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.129 -5.635 -8.940 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.413 -7.030 -9.986 1.00 0.00 H new ATOM 502 N ALA A 34 4.374 -3.475 -7.612 1.00 0.00 N ATOM 503 CA ALA A 34 5.659 -3.399 -8.301 1.00 0.00 C ATOM 504 C ALA A 34 6.807 -3.176 -7.329 1.00 0.00 C ATOM 505 O ALA A 34 7.927 -3.639 -7.551 1.00 0.00 O ATOM 506 CB ALA A 34 5.626 -2.283 -9.334 1.00 0.00 C ATOM 0 H ALA A 34 3.708 -2.760 -7.903 1.00 0.00 H new ATOM 0 HA ALA A 34 5.828 -4.354 -8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.588 -2.231 -9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.839 -2.484 -10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.427 -1.333 -8.837 1.00 0.00 H new ATOM 512 N MET A 35 6.518 -2.457 -6.263 1.00 0.00 N ATOM 513 CA MET A 35 7.524 -2.146 -5.242 1.00 0.00 C ATOM 514 C MET A 35 7.402 -3.097 -4.046 1.00 0.00 C ATOM 515 O MET A 35 8.359 -3.786 -3.693 1.00 0.00 O ATOM 516 CB MET A 35 7.377 -0.694 -4.778 1.00 0.00 C ATOM 517 CG MET A 35 6.944 0.261 -5.883 1.00 0.00 C ATOM 518 SD MET A 35 8.067 1.660 -6.079 1.00 0.00 S ATOM 519 CE MET A 35 9.339 0.931 -7.109 1.00 0.00 C ATOM 0 H MET A 35 5.593 -2.071 -6.072 1.00 0.00 H new ATOM 0 HA MET A 35 8.511 -2.279 -5.685 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.649 -0.653 -3.968 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.328 -0.355 -4.369 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.883 -0.284 -6.825 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.943 0.633 -5.664 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.108 1.674 -7.318 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.786 0.083 -6.590 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.898 0.592 -8.046 1.00 0.00 H new ATOM 529 N HIS A 36 6.212 -3.161 -3.458 1.00 0.00 N ATOM 530 CA HIS A 36 5.944 -4.064 -2.339 1.00 0.00 C ATOM 531 C HIS A 36 6.810 -3.796 -1.108 1.00 0.00 C ATOM 532 O HIS A 36 7.241 -4.738 -0.441 1.00 0.00 O ATOM 533 CB HIS A 36 6.132 -5.514 -2.783 1.00 0.00 C ATOM 534 CG HIS A 36 4.861 -6.164 -3.225 1.00 0.00 C ATOM 535 ND1 HIS A 36 4.791 -7.462 -3.685 1.00 0.00 N ATOM 536 CD2 HIS A 36 3.598 -5.683 -3.270 1.00 0.00 C ATOM 537 CE1 HIS A 36 3.540 -7.752 -3.994 1.00 0.00 C ATOM 538 NE2 HIS A 36 2.796 -6.690 -3.749 1.00 0.00 N ATOM 0 H HIS A 36 5.411 -2.595 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 36 4.911 -3.879 -2.043 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.852 -5.546 -3.600 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.558 -6.087 -1.960 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.279 -4.692 -2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.187 -8.696 -4.381 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.788 -6.627 -3.892 1.00 0.00 H new ATOM 546 N PRO A 37 7.066 -2.529 -0.753 1.00 0.00 N ATOM 547 CA PRO A 37 7.861 -2.218 0.432 1.00 0.00 C ATOM 548 C PRO A 37 7.275 -2.871 1.683 1.00 0.00 C ATOM 549 O PRO A 37 7.824 -3.842 2.203 1.00 0.00 O ATOM 550 CB PRO A 37 7.788 -0.688 0.535 1.00 0.00 C ATOM 551 CG PRO A 37 6.650 -0.291 -0.342 1.00 0.00 C ATOM 552 CD PRO A 37 6.603 -1.315 -1.436 1.00 0.00 C ATOM 0 HA PRO A 37 8.882 -2.591 0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.621 -0.370 1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.719 -0.226 0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.714 -0.272 0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.800 0.709 -0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.597 -1.434 -1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.250 -1.047 -2.271 1.00 0.00 H new ATOM 560 N THR A 38 6.171 -2.314 2.179 1.00 0.00 N ATOM 561 CA THR A 38 5.531 -2.823 3.391 1.00 0.00 C ATOM 562 C THR A 38 4.359 -3.753 3.069 1.00 0.00 C ATOM 563 O THR A 38 4.408 -4.945 3.371 1.00 0.00 O ATOM 564 CB THR A 38 5.059 -1.660 4.280 1.00 0.00 C ATOM 565 OG1 THR A 38 3.710 -1.321 4.012 1.00 0.00 O ATOM 566 CG2 THR A 38 5.888 -0.399 4.117 1.00 0.00 C ATOM 0 H THR A 38 5.702 -1.511 1.761 1.00 0.00 H new ATOM 0 HA THR A 38 6.276 -3.406 3.932 1.00 0.00 H new ATOM 0 HB THR A 38 5.175 -2.026 5.300 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.437 -0.580 4.593 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.499 0.379 4.773 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.925 -0.609 4.378 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.836 -0.061 3.082 1.00 0.00 H new ATOM 574 N LEU A 39 3.305 -3.204 2.471 1.00 0.00 N ATOM 575 CA LEU A 39 2.126 -3.994 2.127 1.00 0.00 C ATOM 576 C LEU A 39 1.275 -3.285 1.080 1.00 0.00 C ATOM 577 O LEU A 39 0.642 -2.273 1.367 1.00 0.00 O ATOM 578 CB LEU A 39 1.287 -4.262 3.381 1.00 0.00 C ATOM 579 CG LEU A 39 0.675 -5.665 3.476 1.00 0.00 C ATOM 580 CD1 LEU A 39 0.095 -6.098 2.136 1.00 0.00 C ATOM 581 CD2 LEU A 39 1.712 -6.668 3.963 1.00 0.00 C ATOM 0 H LEU A 39 3.243 -2.219 2.215 1.00 0.00 H new ATOM 0 HA LEU A 39 2.466 -4.941 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.913 -4.097 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.481 -3.529 3.422 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.139 -5.632 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.333 -7.096 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.683 -5.397 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.885 -6.111 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.260 -7.658 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.549 -6.694 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.070 -6.371 4.949 1.00 0.00 H new ATOM 593 N ALA A 40 1.261 -3.830 -0.129 1.00 0.00 N ATOM 594 CA ALA A 40 0.492 -3.272 -1.242 1.00 0.00 C ATOM 595 C ALA A 40 -0.974 -3.022 -0.887 1.00 0.00 C ATOM 596 O ALA A 40 -1.492 -1.931 -1.133 1.00 0.00 O ATOM 597 CB ALA A 40 0.644 -4.189 -2.454 1.00 0.00 C ATOM 0 H ALA A 40 1.782 -4.673 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 40 0.894 -2.287 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.075 -3.784 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.696 -4.256 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.269 -5.182 -2.208 1.00 0.00 H new ATOM 603 N GLY A 41 -1.643 -4.013 -0.320 1.00 0.00 N ATOM 604 CA GLY A 41 -3.042 -3.844 0.036 1.00 0.00 C ATOM 605 C GLY A 41 -3.273 -2.683 0.991 1.00 0.00 C ATOM 606 O GLY A 41 -4.136 -1.837 0.756 1.00 0.00 O ATOM 0 H GLY A 41 -1.249 -4.927 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.626 -3.684 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.409 -4.763 0.493 1.00 0.00 H new ATOM 610 N LYS A 42 -2.516 -2.661 2.081 1.00 0.00 N ATOM 611 CA LYS A 42 -2.654 -1.616 3.091 1.00 0.00 C ATOM 612 C LYS A 42 -2.046 -0.283 2.639 1.00 0.00 C ATOM 613 O LYS A 42 -2.609 0.782 2.907 1.00 0.00 O ATOM 614 CB LYS A 42 -2.029 -2.076 4.408 1.00 0.00 C ATOM 615 CG LYS A 42 -3.001 -2.824 5.308 1.00 0.00 C ATOM 616 CD LYS A 42 -3.463 -4.129 4.675 1.00 0.00 C ATOM 617 CE LYS A 42 -4.909 -4.046 4.201 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.868 -3.963 5.340 1.00 0.00 N ATOM 0 H LYS A 42 -1.799 -3.356 2.290 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.720 -1.442 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.176 -2.720 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.645 -1.207 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.524 -3.033 6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.866 -2.193 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.817 -4.373 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.363 -4.939 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.031 -3.172 3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.142 -4.921 3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.429 -4.837 5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.342 -3.843 6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.503 -3.151 5.201 1.00 0.00 H new ATOM 632 N ILE A 43 -0.900 -0.332 1.957 1.00 0.00 N ATOM 633 CA ILE A 43 -0.248 0.890 1.486 1.00 0.00 C ATOM 634 C ILE A 43 -1.216 1.739 0.665 1.00 0.00 C ATOM 635 O ILE A 43 -1.231 2.965 0.773 1.00 0.00 O ATOM 636 CB ILE A 43 1.026 0.578 0.654 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.257 1.128 1.368 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.948 1.144 -0.764 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.459 0.221 1.289 1.00 0.00 C ATOM 0 H ILE A 43 -0.409 -1.194 1.721 1.00 0.00 H new ATOM 0 HA ILE A 43 0.056 1.454 2.368 1.00 0.00 H new ATOM 0 HB ILE A 43 1.101 -0.506 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.514 2.096 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.011 1.301 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.862 0.899 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.093 0.710 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.833 2.227 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.295 0.678 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.221 -0.739 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.731 0.068 0.245 1.00 0.00 H new ATOM 651 N THR A 44 -2.005 1.072 -0.165 1.00 0.00 N ATOM 652 CA THR A 44 -2.967 1.747 -1.027 1.00 0.00 C ATOM 653 C THR A 44 -3.986 2.554 -0.223 1.00 0.00 C ATOM 654 O THR A 44 -4.310 3.686 -0.582 1.00 0.00 O ATOM 655 CB THR A 44 -3.688 0.715 -1.904 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.839 0.255 -2.938 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.957 1.232 -2.553 1.00 0.00 C ATOM 0 H THR A 44 -1.998 0.057 -0.260 1.00 0.00 H new ATOM 0 HA THR A 44 -2.418 2.447 -1.656 1.00 0.00 H new ATOM 0 HB THR A 44 -3.960 -0.088 -1.219 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.280 -0.476 -2.601 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.406 0.442 -3.155 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.660 1.543 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.719 2.083 -3.191 1.00 0.00 H new ATOM 665 N GLY A 45 -4.495 1.966 0.853 1.00 0.00 N ATOM 666 CA GLY A 45 -5.479 2.654 1.671 1.00 0.00 C ATOM 667 C GLY A 45 -4.988 4.001 2.140 1.00 0.00 C ATOM 668 O GLY A 45 -5.763 4.948 2.273 1.00 0.00 O ATOM 0 H GLY A 45 -4.246 1.030 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.398 2.783 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.725 2.038 2.536 1.00 0.00 H new ATOM 672 N MET A 46 -3.692 4.083 2.385 1.00 0.00 N ATOM 673 CA MET A 46 -3.076 5.315 2.843 1.00 0.00 C ATOM 674 C MET A 46 -2.933 6.305 1.695 1.00 0.00 C ATOM 675 O MET A 46 -3.401 7.439 1.784 1.00 0.00 O ATOM 676 CB MET A 46 -1.714 5.020 3.470 1.00 0.00 C ATOM 677 CG MET A 46 -1.697 3.760 4.330 1.00 0.00 C ATOM 678 SD MET A 46 -3.043 3.716 5.534 1.00 0.00 S ATOM 679 CE MET A 46 -2.494 2.397 6.614 1.00 0.00 C ATOM 0 H MET A 46 -3.042 3.305 2.273 1.00 0.00 H new ATOM 0 HA MET A 46 -3.720 5.764 3.599 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.973 4.919 2.677 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.413 5.871 4.081 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.764 2.884 3.685 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.744 3.697 4.855 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.877 2.568 7.620 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.866 1.443 6.241 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.404 2.377 6.639 1.00 0.00 H new ATOM 689 N LEU A 47 -2.273 5.880 0.622 1.00 0.00 N ATOM 690 CA LEU A 47 -2.069 6.756 -0.519 1.00 0.00 C ATOM 691 C LEU A 47 -3.399 7.239 -1.078 1.00 0.00 C ATOM 692 O LEU A 47 -3.437 8.220 -1.821 1.00 0.00 O ATOM 693 CB LEU A 47 -1.251 6.051 -1.608 1.00 0.00 C ATOM 694 CG LEU A 47 0.223 5.768 -1.278 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.146 6.659 -2.103 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.513 5.937 0.204 1.00 0.00 C ATOM 0 H LEU A 47 -1.876 4.946 0.522 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.507 7.626 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.737 5.104 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.288 6.660 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 47 0.416 4.727 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.184 6.440 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.982 6.470 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.933 7.705 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.566 5.728 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.286 6.960 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.104 5.245 0.777 1.00 0.00 H new ATOM 708 N LEU A 48 -4.496 6.549 -0.746 1.00 0.00 N ATOM 709 CA LEU A 48 -5.821 6.931 -1.252 1.00 0.00 C ATOM 710 C LEU A 48 -6.234 8.352 -0.837 1.00 0.00 C ATOM 711 O LEU A 48 -7.408 8.710 -0.923 1.00 0.00 O ATOM 712 CB LEU A 48 -6.878 5.923 -0.780 1.00 0.00 C ATOM 713 CG LEU A 48 -7.623 5.207 -1.908 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.670 4.313 -2.677 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.789 4.392 -1.369 1.00 0.00 C ATOM 0 H LEU A 48 -4.495 5.732 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.756 6.922 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.394 5.176 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.604 6.443 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.025 5.964 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.211 3.808 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.870 4.917 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.244 3.570 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.298 3.895 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.417 3.644 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.488 5.052 -0.856 1.00 0.00 H new ATOM 727 N GLU A 49 -5.270 9.164 -0.413 1.00 0.00 N ATOM 728 CA GLU A 49 -5.533 10.535 -0.020 1.00 0.00 C ATOM 729 C GLU A 49 -5.754 11.422 -1.249 1.00 0.00 C ATOM 730 O GLU A 49 -6.141 12.583 -1.124 1.00 0.00 O ATOM 731 CB GLU A 49 -4.352 11.066 0.794 1.00 0.00 C ATOM 732 CG GLU A 49 -4.704 12.235 1.692 1.00 0.00 C ATOM 733 CD GLU A 49 -3.721 13.384 1.572 1.00 0.00 C ATOM 734 OE1 GLU A 49 -2.523 13.173 1.856 1.00 0.00 O ATOM 735 OE2 GLU A 49 -4.148 14.497 1.196 1.00 0.00 O ATOM 0 H GLU A 49 -4.291 8.887 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.439 10.556 0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.952 10.258 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.559 11.371 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.704 12.591 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.735 11.896 2.727 1.00 0.00 H new ATOM 742 N ILE A 50 -5.490 10.874 -2.440 1.00 0.00 N ATOM 743 CA ILE A 50 -5.645 11.628 -3.681 1.00 0.00 C ATOM 744 C ILE A 50 -6.845 11.121 -4.501 1.00 0.00 C ATOM 745 O ILE A 50 -7.396 10.058 -4.213 1.00 0.00 O ATOM 746 CB ILE A 50 -4.331 11.572 -4.499 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.261 12.695 -5.539 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.159 10.217 -5.161 1.00 0.00 C ATOM 749 CD1 ILE A 50 -4.560 14.072 -4.982 1.00 0.00 C ATOM 0 H ILE A 50 -5.169 9.914 -2.567 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.851 12.669 -3.432 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.509 11.719 -3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.266 12.703 -5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.967 12.478 -6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.229 10.205 -5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.128 9.440 -4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.997 10.032 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.490 14.811 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.566 14.085 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.839 14.313 -4.201 1.00 0.00 H new ATOM 761 N ASP A 51 -7.229 11.878 -5.532 1.00 0.00 N ATOM 762 CA ASP A 51 -8.339 11.507 -6.410 1.00 0.00 C ATOM 763 C ASP A 51 -7.963 10.357 -7.348 1.00 0.00 C ATOM 764 O ASP A 51 -6.840 10.307 -7.849 1.00 0.00 O ATOM 765 CB ASP A 51 -8.778 12.721 -7.233 1.00 0.00 C ATOM 766 CG ASP A 51 -10.280 12.922 -7.214 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.014 11.945 -7.470 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.723 14.060 -6.947 1.00 0.00 O ATOM 0 H ASP A 51 -6.781 12.760 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.161 11.169 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.290 13.615 -6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.444 12.598 -8.263 1.00 0.00 H new ATOM 773 N ASN A 52 -8.908 9.448 -7.610 1.00 0.00 N ATOM 774 CA ASN A 52 -8.646 8.330 -8.522 1.00 0.00 C ATOM 775 C ASN A 52 -8.040 8.830 -9.833 1.00 0.00 C ATOM 776 O ASN A 52 -7.379 8.074 -10.542 1.00 0.00 O ATOM 777 CB ASN A 52 -9.937 7.549 -8.818 1.00 0.00 C ATOM 778 CG ASN A 52 -9.663 6.176 -9.421 1.00 0.00 C ATOM 779 OD1 ASN A 52 -8.515 5.832 -9.704 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.717 5.385 -9.625 1.00 0.00 N ATOM 0 H ASN A 52 -9.847 9.463 -7.211 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.935 7.665 -8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.506 7.430 -7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.558 8.126 -9.503 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.588 4.457 -10.029 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.652 5.707 -9.377 1.00 0.00 H new ATOM 787 N SER A 53 -8.277 10.101 -10.157 1.00 0.00 N ATOM 788 CA SER A 53 -7.764 10.681 -11.399 1.00 0.00 C ATOM 789 C SER A 53 -6.256 10.912 -11.337 1.00 0.00 C ATOM 790 O SER A 53 -5.575 10.900 -12.366 1.00 0.00 O ATOM 791 CB SER A 53 -8.478 11.997 -11.706 1.00 0.00 C ATOM 792 OG SER A 53 -8.349 12.914 -10.632 1.00 0.00 O ATOM 0 H SER A 53 -8.818 10.746 -9.581 1.00 0.00 H new ATOM 0 HA SER A 53 -7.961 9.966 -12.198 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.063 12.435 -12.614 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.533 11.805 -11.898 1.00 0.00 H new ATOM 0 HG SER A 53 -8.813 13.747 -10.856 1.00 0.00 H new ATOM 798 N GLU A 54 -5.733 11.115 -10.137 1.00 0.00 N ATOM 799 CA GLU A 54 -4.305 11.345 -9.967 1.00 0.00 C ATOM 800 C GLU A 54 -3.539 10.037 -10.127 1.00 0.00 C ATOM 801 O GLU A 54 -2.456 10.006 -10.710 1.00 0.00 O ATOM 802 CB GLU A 54 -4.026 11.963 -8.595 1.00 0.00 C ATOM 803 CG GLU A 54 -3.100 13.171 -8.641 1.00 0.00 C ATOM 804 CD GLU A 54 -1.695 12.857 -8.163 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.501 11.791 -7.540 1.00 0.00 O ATOM 806 OE2 GLU A 54 -0.786 13.680 -8.407 1.00 0.00 O ATOM 0 H GLU A 54 -6.272 11.125 -9.271 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.969 12.042 -10.735 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.972 12.259 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.586 11.204 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.055 13.549 -9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.519 13.967 -8.025 1.00 0.00 H new ATOM 813 N LEU A 55 -4.113 8.959 -9.605 1.00 0.00 N ATOM 814 CA LEU A 55 -3.488 7.647 -9.686 1.00 0.00 C ATOM 815 C LEU A 55 -3.329 7.184 -11.126 1.00 0.00 C ATOM 816 O LEU A 55 -2.337 6.543 -11.475 1.00 0.00 O ATOM 817 CB LEU A 55 -4.296 6.625 -8.907 1.00 0.00 C ATOM 818 CG LEU A 55 -4.038 6.622 -7.409 1.00 0.00 C ATOM 819 CD1 LEU A 55 -4.782 7.758 -6.743 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.451 5.302 -6.817 1.00 0.00 C ATOM 0 H LEU A 55 -5.011 8.969 -9.121 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.494 7.735 -9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.356 6.812 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.079 5.632 -9.302 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.971 6.764 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.587 7.742 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.445 8.707 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.852 7.645 -6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.262 5.310 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.513 5.139 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.877 4.500 -7.281 1.00 0.00 H new ATOM 832 N LEU A 56 -4.300 7.521 -11.965 1.00 0.00 N ATOM 833 CA LEU A 56 -4.242 7.140 -13.369 1.00 0.00 C ATOM 834 C LEU A 56 -3.065 7.842 -14.036 1.00 0.00 C ATOM 835 O LEU A 56 -2.380 7.272 -14.887 1.00 0.00 O ATOM 836 CB LEU A 56 -5.549 7.487 -14.088 1.00 0.00 C ATOM 837 CG LEU A 56 -6.576 6.349 -14.145 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.750 6.642 -13.224 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.066 6.134 -15.570 1.00 0.00 C ATOM 0 H LEU A 56 -5.130 8.052 -11.701 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.104 6.061 -13.434 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.004 8.343 -13.590 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.315 7.797 -15.106 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.087 5.435 -13.807 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.468 5.824 -13.278 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.392 6.744 -12.199 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.233 7.569 -13.533 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.793 5.322 -15.586 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.534 7.048 -15.936 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.222 5.878 -16.210 1.00 0.00 H new ATOM 851 N HIS A 57 -2.831 9.085 -13.624 1.00 0.00 N ATOM 852 CA HIS A 57 -1.732 9.876 -14.160 1.00 0.00 C ATOM 853 C HIS A 57 -0.383 9.262 -13.792 1.00 0.00 C ATOM 854 O HIS A 57 0.486 9.090 -14.645 1.00 0.00 O ATOM 855 CB HIS A 57 -1.807 11.308 -13.630 1.00 0.00 C ATOM 856 CG HIS A 57 -2.888 12.125 -14.265 1.00 0.00 C ATOM 857 ND1 HIS A 57 -3.111 12.149 -15.626 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.814 12.948 -13.720 1.00 0.00 C ATOM 859 CE1 HIS A 57 -4.125 12.953 -15.892 1.00 0.00 C ATOM 860 NE2 HIS A 57 -4.569 13.449 -14.751 1.00 0.00 N ATOM 0 H HIS A 57 -3.390 9.565 -12.919 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.822 9.886 -15.246 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.970 11.280 -12.553 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.848 11.799 -13.795 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.936 13.169 -12.670 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.522 13.168 -16.873 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.348 14.100 -14.652 1.00 0.00 H new ATOM 868 N MET A 58 -0.215 8.943 -12.513 1.00 0.00 N ATOM 869 CA MET A 58 1.034 8.356 -12.030 1.00 0.00 C ATOM 870 C MET A 58 1.263 6.969 -12.620 1.00 0.00 C ATOM 871 O MET A 58 2.376 6.637 -13.025 1.00 0.00 O ATOM 872 CB MET A 58 1.059 8.270 -10.502 1.00 0.00 C ATOM 873 CG MET A 58 -0.250 7.838 -9.868 1.00 0.00 C ATOM 874 SD MET A 58 -0.355 8.314 -8.132 1.00 0.00 S ATOM 875 CE MET A 58 -0.388 6.708 -7.341 1.00 0.00 C ATOM 0 H MET A 58 -0.924 9.080 -11.793 1.00 0.00 H new ATOM 0 HA MET A 58 1.837 9.015 -12.358 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.839 7.570 -10.204 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.336 9.245 -10.102 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.081 8.282 -10.416 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.354 6.756 -9.953 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.799 6.806 -6.336 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.010 6.028 -7.923 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.625 6.311 -7.281 1.00 0.00 H new ATOM 885 N LEU A 59 0.213 6.161 -12.661 1.00 0.00 N ATOM 886 CA LEU A 59 0.331 4.807 -13.188 1.00 0.00 C ATOM 887 C LEU A 59 0.812 4.844 -14.636 1.00 0.00 C ATOM 888 O LEU A 59 1.366 3.867 -15.140 1.00 0.00 O ATOM 889 CB LEU A 59 -1.013 4.076 -13.084 1.00 0.00 C ATOM 890 CG LEU A 59 -1.177 2.864 -14.004 1.00 0.00 C ATOM 891 CD1 LEU A 59 -2.069 1.816 -13.354 1.00 0.00 C ATOM 892 CD2 LEU A 59 -1.747 3.298 -15.347 1.00 0.00 C ATOM 0 H LEU A 59 -0.721 6.415 -12.340 1.00 0.00 H new ATOM 0 HA LEU A 59 1.065 4.262 -12.594 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.150 3.749 -12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.811 4.786 -13.302 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.197 2.418 -14.172 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.174 0.962 -14.023 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.622 1.489 -12.415 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.051 2.246 -13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.859 2.427 -15.993 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.720 3.765 -15.195 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.070 4.013 -15.816 1.00 0.00 H new ATOM 904 N GLU A 60 0.623 5.984 -15.291 1.00 0.00 N ATOM 905 CA GLU A 60 1.064 6.154 -16.668 1.00 0.00 C ATOM 906 C GLU A 60 2.417 6.869 -16.722 1.00 0.00 C ATOM 907 O GLU A 60 2.996 7.038 -17.795 1.00 0.00 O ATOM 908 CB GLU A 60 0.023 6.947 -17.457 1.00 0.00 C ATOM 909 CG GLU A 60 -1.224 6.145 -17.785 1.00 0.00 C ATOM 910 CD GLU A 60 -0.984 5.116 -18.870 1.00 0.00 C ATOM 911 OE1 GLU A 60 0.011 5.255 -19.611 1.00 0.00 O ATOM 912 OE2 GLU A 60 -1.788 4.166 -18.976 1.00 0.00 O ATOM 0 H GLU A 60 0.167 6.803 -14.890 1.00 0.00 H new ATOM 0 HA GLU A 60 1.178 5.167 -17.116 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.262 7.829 -16.884 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.473 7.301 -18.385 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.576 5.643 -16.884 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.016 6.824 -18.102 1.00 0.00 H new ATOM 919 N SER A 61 2.917 7.280 -15.556 1.00 0.00 N ATOM 920 CA SER A 61 4.201 7.968 -15.468 1.00 0.00 C ATOM 921 C SER A 61 4.952 7.561 -14.199 1.00 0.00 C ATOM 922 O SER A 61 4.626 8.022 -13.104 1.00 0.00 O ATOM 923 CB SER A 61 3.989 9.483 -15.486 1.00 0.00 C ATOM 924 OG SER A 61 4.975 10.127 -16.274 1.00 0.00 O ATOM 0 H SER A 61 2.450 7.147 -14.659 1.00 0.00 H new ATOM 0 HA SER A 61 4.802 7.680 -16.331 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.999 9.710 -15.880 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.023 9.870 -14.468 1.00 0.00 H new ATOM 0 HG SER A 61 4.816 11.094 -16.271 1.00 0.00 H new ATOM 930 N PRO A 62 5.972 6.692 -14.323 1.00 0.00 N ATOM 931 CA PRO A 62 6.761 6.232 -13.173 1.00 0.00 C ATOM 932 C PRO A 62 7.332 7.388 -12.354 1.00 0.00 C ATOM 933 O PRO A 62 7.605 7.241 -11.163 1.00 0.00 O ATOM 934 CB PRO A 62 7.895 5.429 -13.814 1.00 0.00 C ATOM 935 CG PRO A 62 7.365 4.999 -15.137 1.00 0.00 C ATOM 936 CD PRO A 62 6.432 6.088 -15.588 1.00 0.00 C ATOM 0 HA PRO A 62 6.154 5.659 -12.473 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.793 6.036 -13.927 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.166 4.570 -13.200 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.174 4.858 -15.854 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.841 4.046 -15.056 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.941 6.817 -16.219 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.600 5.689 -16.168 1.00 0.00 H new ATOM 944 N GLU A 63 7.518 8.532 -13.005 1.00 0.00 N ATOM 945 CA GLU A 63 8.070 9.715 -12.347 1.00 0.00 C ATOM 946 C GLU A 63 7.171 10.195 -11.212 1.00 0.00 C ATOM 947 O GLU A 63 7.577 10.189 -10.049 1.00 0.00 O ATOM 948 CB GLU A 63 8.281 10.831 -13.367 1.00 0.00 C ATOM 949 CG GLU A 63 8.835 10.330 -14.690 1.00 0.00 C ATOM 950 CD GLU A 63 10.050 11.108 -15.154 1.00 0.00 C ATOM 951 OE1 GLU A 63 10.975 11.307 -14.340 1.00 0.00 O ATOM 952 OE2 GLU A 63 10.076 11.519 -16.334 1.00 0.00 O ATOM 0 H GLU A 63 7.294 8.667 -13.991 1.00 0.00 H new ATOM 0 HA GLU A 63 9.031 9.441 -11.913 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.332 11.337 -13.545 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.964 11.572 -12.951 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.100 9.277 -14.592 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.057 10.393 -15.451 1.00 0.00 H new ATOM 959 N SER A 64 5.949 10.599 -11.541 1.00 0.00 N ATOM 960 CA SER A 64 5.012 11.061 -10.526 1.00 0.00 C ATOM 961 C SER A 64 4.597 9.883 -9.663 1.00 0.00 C ATOM 962 O SER A 64 4.331 10.019 -8.472 1.00 0.00 O ATOM 963 CB SER A 64 3.783 11.702 -11.175 1.00 0.00 C ATOM 964 OG SER A 64 3.394 12.875 -10.483 1.00 0.00 O ATOM 0 H SER A 64 5.587 10.616 -12.494 1.00 0.00 H new ATOM 0 HA SER A 64 5.497 11.816 -9.907 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.002 11.945 -12.215 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.958 10.989 -11.181 1.00 0.00 H new ATOM 0 HG SER A 64 2.608 13.266 -10.918 1.00 0.00 H new ATOM 970 N LEU A 65 4.540 8.721 -10.292 1.00 0.00 N ATOM 971 CA LEU A 65 4.158 7.504 -9.608 1.00 0.00 C ATOM 972 C LEU A 65 5.078 7.247 -8.424 1.00 0.00 C ATOM 973 O LEU A 65 4.619 7.167 -7.285 1.00 0.00 O ATOM 974 CB LEU A 65 4.192 6.328 -10.589 1.00 0.00 C ATOM 975 CG LEU A 65 4.130 4.932 -9.968 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.503 4.500 -9.479 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.115 4.897 -8.836 1.00 0.00 C ATOM 0 H LEU A 65 4.755 8.598 -11.281 1.00 0.00 H new ATOM 0 HA LEU A 65 3.143 7.613 -9.227 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.356 6.433 -11.280 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.105 6.400 -11.180 1.00 0.00 H new ATOM 0 HG LEU A 65 3.809 4.228 -10.735 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.436 3.504 -9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.199 4.482 -10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.860 5.204 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.084 3.896 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.403 5.614 -8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.129 5.156 -9.223 1.00 0.00 H new ATOM 989 N ARG A 66 6.373 7.117 -8.676 1.00 0.00 N ATOM 990 CA ARG A 66 7.309 6.865 -7.588 1.00 0.00 C ATOM 991 C ARG A 66 7.256 7.980 -6.545 1.00 0.00 C ATOM 992 O ARG A 66 7.631 7.777 -5.393 1.00 0.00 O ATOM 993 CB ARG A 66 8.735 6.706 -8.119 1.00 0.00 C ATOM 994 CG ARG A 66 9.683 6.058 -7.119 1.00 0.00 C ATOM 995 CD ARG A 66 11.133 6.173 -7.566 1.00 0.00 C ATOM 996 NE ARG A 66 11.956 6.873 -6.581 1.00 0.00 N ATOM 997 CZ ARG A 66 12.408 6.311 -5.462 1.00 0.00 C ATOM 998 NH1 ARG A 66 12.129 5.043 -5.191 1.00 0.00 N ATOM 999 NH2 ARG A 66 13.144 7.018 -4.615 1.00 0.00 N ATOM 0 H ARG A 66 6.794 7.180 -9.603 1.00 0.00 H new ATOM 0 HA ARG A 66 7.011 5.933 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.712 6.105 -9.028 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.124 7.686 -8.395 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.564 6.531 -6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.421 5.007 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.540 5.176 -7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.178 6.702 -8.518 1.00 0.00 H new ATOM 0 HE ARG A 66 12.198 7.847 -6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.566 4.494 -5.841 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.477 4.616 -4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.364 7.993 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.490 6.587 -3.758 1.00 0.00 H new ATOM 1013 N SER A 67 6.796 9.156 -6.955 1.00 0.00 N ATOM 1014 CA SER A 67 6.705 10.297 -6.048 1.00 0.00 C ATOM 1015 C SER A 67 5.743 10.028 -4.893 1.00 0.00 C ATOM 1016 O SER A 67 6.069 10.277 -3.737 1.00 0.00 O ATOM 1017 CB SER A 67 6.254 11.543 -6.806 1.00 0.00 C ATOM 1018 OG SER A 67 7.222 11.938 -7.766 1.00 0.00 O ATOM 0 H SER A 67 6.481 9.346 -7.906 1.00 0.00 H new ATOM 0 HA SER A 67 7.699 10.460 -5.632 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.304 11.346 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.082 12.358 -6.102 1.00 0.00 H new ATOM 0 HG SER A 67 7.246 11.284 -8.495 1.00 0.00 H new ATOM 1024 N LYS A 68 4.550 9.536 -5.213 1.00 0.00 N ATOM 1025 CA LYS A 68 3.535 9.258 -4.195 1.00 0.00 C ATOM 1026 C LYS A 68 3.839 7.980 -3.425 1.00 0.00 C ATOM 1027 O LYS A 68 3.887 7.979 -2.194 1.00 0.00 O ATOM 1028 CB LYS A 68 2.145 9.137 -4.827 1.00 0.00 C ATOM 1029 CG LYS A 68 1.937 10.022 -6.043 1.00 0.00 C ATOM 1030 CD LYS A 68 2.004 11.497 -5.679 1.00 0.00 C ATOM 1031 CE LYS A 68 0.978 11.853 -4.613 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.367 11.295 -4.929 1.00 0.00 N ATOM 0 H LYS A 68 4.260 9.321 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 68 3.552 10.098 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.977 8.099 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.394 9.386 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.696 9.797 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.969 9.801 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.004 11.739 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.830 12.101 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.311 11.473 -3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.909 12.937 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.079 11.734 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.601 11.495 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.361 10.267 -4.775 1.00 0.00 H new ATOM 1046 N VAL A 69 4.035 6.891 -4.156 1.00 0.00 N ATOM 1047 CA VAL A 69 4.322 5.599 -3.549 1.00 0.00 C ATOM 1048 C VAL A 69 5.553 5.661 -2.660 1.00 0.00 C ATOM 1049 O VAL A 69 5.524 5.207 -1.518 1.00 0.00 O ATOM 1050 CB VAL A 69 4.549 4.518 -4.618 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.580 3.139 -3.978 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.482 4.602 -5.700 1.00 0.00 C ATOM 0 H VAL A 69 4.000 6.877 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 69 3.452 5.342 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 69 5.516 4.691 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.741 2.384 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.390 3.094 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.631 2.949 -3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.660 3.829 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.499 4.455 -5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.522 5.582 -6.175 1.00 0.00 H new ATOM 1062 N ASP A 70 6.636 6.232 -3.184 1.00 0.00 N ATOM 1063 CA ASP A 70 7.866 6.348 -2.410 1.00 0.00 C ATOM 1064 C ASP A 70 7.539 6.943 -1.051 1.00 0.00 C ATOM 1065 O ASP A 70 7.881 6.379 -0.010 1.00 0.00 O ATOM 1066 CB ASP A 70 8.898 7.213 -3.138 1.00 0.00 C ATOM 1067 CG ASP A 70 10.171 7.399 -2.334 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.397 6.615 -1.390 1.00 0.00 O ATOM 1069 OD2 ASP A 70 10.940 8.332 -2.648 1.00 0.00 O ATOM 0 H ASP A 70 6.686 6.616 -4.128 1.00 0.00 H new ATOM 0 HA ASP A 70 8.301 5.357 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.141 6.754 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.462 8.189 -3.354 1.00 0.00 H new ATOM 1074 N GLU A 71 6.844 8.076 -1.074 1.00 0.00 N ATOM 1075 CA GLU A 71 6.432 8.743 0.151 1.00 0.00 C ATOM 1076 C GLU A 71 5.785 7.734 1.092 1.00 0.00 C ATOM 1077 O GLU A 71 6.155 7.641 2.261 1.00 0.00 O ATOM 1078 CB GLU A 71 5.457 9.881 -0.170 1.00 0.00 C ATOM 1079 CG GLU A 71 6.120 11.102 -0.791 1.00 0.00 C ATOM 1080 CD GLU A 71 7.408 11.501 -0.099 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.456 10.894 -0.402 1.00 0.00 O ATOM 1082 OE2 GLU A 71 7.369 12.422 0.743 1.00 0.00 O ATOM 0 H GLU A 71 6.555 8.550 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 71 7.308 9.169 0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.691 9.509 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.950 10.182 0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.328 10.899 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.424 11.940 -0.760 1.00 0.00 H new ATOM 1089 N ALA A 72 4.827 6.969 0.566 1.00 0.00 N ATOM 1090 CA ALA A 72 4.131 5.952 1.352 1.00 0.00 C ATOM 1091 C ALA A 72 5.110 5.144 2.187 1.00 0.00 C ATOM 1092 O ALA A 72 4.969 5.029 3.404 1.00 0.00 O ATOM 1093 CB ALA A 72 3.372 5.010 0.430 1.00 0.00 C ATOM 0 H ALA A 72 4.516 7.036 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 72 3.435 6.462 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.857 4.256 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.642 5.577 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.072 4.522 -0.248 1.00 0.00 H new ATOM 1099 N VAL A 73 6.099 4.578 1.519 1.00 0.00 N ATOM 1100 CA VAL A 73 7.097 3.770 2.195 1.00 0.00 C ATOM 1101 C VAL A 73 7.719 4.525 3.360 1.00 0.00 C ATOM 1102 O VAL A 73 7.951 3.955 4.419 1.00 0.00 O ATOM 1103 CB VAL A 73 8.221 3.316 1.244 1.00 0.00 C ATOM 1104 CG1 VAL A 73 9.035 2.206 1.887 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.656 2.869 -0.098 1.00 0.00 C ATOM 0 H VAL A 73 6.232 4.663 0.511 1.00 0.00 H new ATOM 0 HA VAL A 73 6.573 2.888 2.564 1.00 0.00 H new ATOM 0 HB VAL A 73 8.878 4.165 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.826 1.893 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.478 2.570 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.386 1.357 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.471 2.554 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.971 2.035 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.121 3.698 -0.562 1.00 0.00 H new ATOM 1115 N ALA A 74 7.987 5.807 3.158 1.00 0.00 N ATOM 1116 CA ALA A 74 8.582 6.629 4.195 1.00 0.00 C ATOM 1117 C ALA A 74 7.580 6.920 5.310 1.00 0.00 C ATOM 1118 O ALA A 74 7.816 6.595 6.475 1.00 0.00 O ATOM 1119 CB ALA A 74 9.102 7.927 3.597 1.00 0.00 C ATOM 0 H ALA A 74 7.801 6.298 2.284 1.00 0.00 H new ATOM 0 HA ALA A 74 9.416 6.079 4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.547 8.537 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.855 7.703 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.277 8.472 3.137 1.00 0.00 H new ATOM 1125 N VAL A 75 6.469 7.548 4.943 1.00 0.00 N ATOM 1126 CA VAL A 75 5.429 7.909 5.902 1.00 0.00 C ATOM 1127 C VAL A 75 4.789 6.702 6.569 1.00 0.00 C ATOM 1128 O VAL A 75 4.850 6.539 7.788 1.00 0.00 O ATOM 1129 CB VAL A 75 4.321 8.740 5.228 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.802 8.093 3.951 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.180 9.032 6.199 1.00 0.00 C ATOM 0 H VAL A 75 6.264 7.820 3.982 1.00 0.00 H new ATOM 0 HA VAL A 75 5.931 8.497 6.671 1.00 0.00 H new ATOM 0 HB VAL A 75 4.774 9.689 4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.023 8.719 3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.620 7.985 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.391 7.110 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.414 9.620 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.748 8.093 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.563 9.592 7.052 1.00 0.00 H new ATOM 1141 N LEU A 76 4.138 5.887 5.762 1.00 0.00 N ATOM 1142 CA LEU A 76 3.430 4.708 6.257 1.00 0.00 C ATOM 1143 C LEU A 76 4.312 3.846 7.145 1.00 0.00 C ATOM 1144 O LEU A 76 3.916 3.485 8.252 1.00 0.00 O ATOM 1145 CB LEU A 76 2.874 3.899 5.088 1.00 0.00 C ATOM 1146 CG LEU A 76 2.148 4.727 4.024 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.362 3.821 3.096 1.00 0.00 C ATOM 1148 CD2 LEU A 76 1.230 5.763 4.664 1.00 0.00 C ATOM 0 H LEU A 76 4.081 6.016 4.752 1.00 0.00 H new ATOM 0 HA LEU A 76 2.600 5.052 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.695 3.362 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.185 3.149 5.478 1.00 0.00 H new ATOM 0 HG LEU A 76 2.899 5.260 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.851 4.424 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.042 3.127 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.626 3.260 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.728 6.336 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.485 5.258 5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.819 6.436 5.286 1.00 0.00 H new ATOM 1160 N GLN A 77 5.509 3.530 6.673 1.00 0.00 N ATOM 1161 CA GLN A 77 6.426 2.724 7.470 1.00 0.00 C ATOM 1162 C GLN A 77 6.550 3.344 8.860 1.00 0.00 C ATOM 1163 O GLN A 77 6.709 2.644 9.861 1.00 0.00 O ATOM 1164 CB GLN A 77 7.805 2.628 6.817 1.00 0.00 C ATOM 1165 CG GLN A 77 7.942 1.460 5.853 1.00 0.00 C ATOM 1166 CD GLN A 77 7.740 0.118 6.534 1.00 0.00 C ATOM 1167 OE1 GLN A 77 6.611 -0.294 6.799 1.00 0.00 O ATOM 1168 NE2 GLN A 77 8.839 -0.570 6.824 1.00 0.00 N ATOM 0 H GLN A 77 5.865 3.812 5.760 1.00 0.00 H new ATOM 0 HA GLN A 77 6.026 1.713 7.542 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.010 3.555 6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.561 2.536 7.596 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.214 1.569 5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.930 1.486 5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.756 -0.191 6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.766 -1.477 7.284 1.00 0.00 H new ATOM 1177 N ALA A 78 6.456 4.676 8.899 1.00 0.00 N ATOM 1178 CA ALA A 78 6.529 5.429 10.146 1.00 0.00 C ATOM 1179 C ALA A 78 5.185 5.445 10.872 1.00 0.00 C ATOM 1180 O ALA A 78 5.072 4.971 12.003 1.00 0.00 O ATOM 1181 CB ALA A 78 6.989 6.852 9.870 1.00 0.00 C ATOM 0 H ALA A 78 6.328 5.256 8.070 1.00 0.00 H new ATOM 0 HA ALA A 78 7.252 4.933 10.793 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.040 7.406 10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.975 6.832 9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.282 7.339 9.199 1.00 0.00 H new ATOM 1187 N HIS A 79 4.166 6.007 10.215 1.00 0.00 N ATOM 1188 CA HIS A 79 2.830 6.103 10.798 1.00 0.00 C ATOM 1189 C HIS A 79 2.282 4.721 11.153 1.00 0.00 C ATOM 1190 O HIS A 79 1.359 4.601 11.957 1.00 0.00 O ATOM 1191 CB HIS A 79 1.879 6.824 9.833 1.00 0.00 C ATOM 1192 CG HIS A 79 1.459 8.179 10.311 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.267 8.412 10.964 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.077 9.382 10.226 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.169 9.696 11.260 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.254 10.306 10.823 1.00 0.00 N ATOM 0 H HIS A 79 4.244 6.402 9.278 1.00 0.00 H new ATOM 0 HA HIS A 79 2.904 6.682 11.719 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.366 6.924 8.863 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.992 6.209 9.683 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.038 9.578 9.773 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.658 10.166 11.772 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.450 11.303 10.914 1.00 0.00 H new ATOM 1536 N LYS B 5 4.932 13.066 4.602 1.00 0.00 N ATOM 1537 CA LYS B 5 5.017 12.709 3.190 1.00 0.00 C ATOM 1538 C LYS B 5 3.799 13.189 2.403 1.00 0.00 C ATOM 1539 O LYS B 5 2.831 13.693 2.974 1.00 0.00 O ATOM 1540 CB LYS B 5 5.150 11.199 3.045 1.00 0.00 C ATOM 1541 CG LYS B 5 6.564 10.689 3.274 1.00 0.00 C ATOM 1542 CD LYS B 5 6.967 10.784 4.739 1.00 0.00 C ATOM 1543 CE LYS B 5 8.207 11.645 4.926 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.246 10.951 5.735 1.00 0.00 N ATOM 0 HA LYS B 5 5.897 13.205 2.781 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.478 10.714 3.753 1.00 0.00 H new ATOM 0 HB3 LYS B 5 4.825 10.908 2.046 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.635 9.653 2.944 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.262 11.266 2.667 1.00 0.00 H new ATOM 0 HD2 LYS B 5 6.143 11.202 5.317 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.156 9.784 5.130 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.619 11.905 3.951 1.00 0.00 H new ATOM 0 HE3 LYS B 5 7.930 12.579 5.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 9.713 11.637 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 8.800 10.206 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.952 10.524 5.101 1.00 0.00 H new ATOM 1558 N LEU B 6 3.859 13.011 1.086 1.00 0.00 N ATOM 1559 CA LEU B 6 2.769 13.404 0.200 1.00 0.00 C ATOM 1560 C LEU B 6 1.555 12.511 0.420 1.00 0.00 C ATOM 1561 O LEU B 6 0.416 12.978 0.421 1.00 0.00 O ATOM 1562 CB LEU B 6 3.214 13.313 -1.265 1.00 0.00 C ATOM 1563 CG LEU B 6 4.271 14.336 -1.694 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.431 13.644 -2.400 1.00 0.00 C ATOM 1565 CD2 LEU B 6 3.649 15.395 -2.596 1.00 0.00 C ATOM 0 H LEU B 6 4.657 12.594 0.607 1.00 0.00 H new ATOM 0 HA LEU B 6 2.498 14.435 0.429 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.606 12.312 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.337 13.432 -1.902 1.00 0.00 H new ATOM 0 HG LEU B 6 4.659 14.827 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.171 14.387 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.891 12.924 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.061 13.126 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.412 16.114 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.235 14.918 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.854 15.911 -2.057 1.00 0.00 H new ATOM 1577 N SER B 7 1.811 11.221 0.610 1.00 0.00 N ATOM 1578 CA SER B 7 0.748 10.253 0.837 1.00 0.00 C ATOM 1579 C SER B 7 0.766 9.764 2.283 1.00 0.00 C ATOM 1580 O SER B 7 1.233 8.662 2.571 1.00 0.00 O ATOM 1581 CB SER B 7 0.906 9.072 -0.120 1.00 0.00 C ATOM 1582 OG SER B 7 1.655 9.443 -1.265 1.00 0.00 O ATOM 0 H SER B 7 2.750 10.822 0.611 1.00 0.00 H new ATOM 0 HA SER B 7 -0.210 10.738 0.650 1.00 0.00 H new ATOM 0 HB2 SER B 7 1.402 8.248 0.392 1.00 0.00 H new ATOM 0 HB3 SER B 7 -0.077 8.712 -0.425 1.00 0.00 H new ATOM 0 HG SER B 7 2.381 8.800 -1.403 1.00 0.00 H new ATOM 1588 N VAL B 8 0.257 10.595 3.187 1.00 0.00 N ATOM 1589 CA VAL B 8 0.214 10.255 4.606 1.00 0.00 C ATOM 1590 C VAL B 8 -0.538 8.948 4.838 1.00 0.00 C ATOM 1591 O VAL B 8 -0.995 8.310 3.890 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.450 11.375 5.430 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.518 12.529 5.641 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.723 11.856 4.750 1.00 0.00 C ATOM 0 H VAL B 8 -0.132 11.511 2.962 1.00 0.00 H new ATOM 0 HA VAL B 8 1.246 10.136 4.935 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.717 10.972 6.407 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.031 13.310 6.225 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.399 12.172 6.175 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.819 12.933 4.674 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.178 12.647 5.347 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.483 12.241 3.759 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.422 11.025 4.656 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.658 8.547 6.102 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.348 7.308 6.449 1.00 0.00 C ATOM 1606 C ASN B 9 -2.871 7.467 6.387 1.00 0.00 C ATOM 1607 O ASN B 9 -3.572 7.157 7.352 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.927 6.852 7.849 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.177 5.374 8.072 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -2.294 4.964 8.392 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -0.138 4.566 7.907 1.00 0.00 N ATOM 0 H ASN B 9 -0.287 9.061 6.901 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.064 6.553 5.716 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.132 7.065 7.995 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.474 7.427 8.596 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -0.246 3.561 8.046 1.00 0.00 H new ATOM 0 HD22 ASN B 9 0.769 4.949 7.641 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.382 7.966 5.258 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.818 8.175 5.088 1.00 0.00 C ATOM 1620 C ALA B 10 -5.626 6.927 5.451 1.00 0.00 C ATOM 1621 O ALA B 10 -5.060 5.902 5.830 1.00 0.00 O ATOM 1622 CB ALA B 10 -5.110 8.602 3.657 1.00 0.00 C ATOM 0 H ALA B 10 -2.820 8.232 4.449 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.125 8.966 5.773 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.182 8.757 3.535 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.582 9.531 3.440 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.775 7.825 2.970 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.970 7.008 5.342 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.872 5.890 5.662 1.00 0.00 C ATOM 1630 C PRO B 11 -7.474 4.589 4.970 1.00 0.00 C ATOM 1631 O PRO B 11 -6.347 4.448 4.500 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.227 6.375 5.144 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.145 7.859 5.224 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.716 8.207 4.911 1.00 0.00 C ATOM 0 HA PRO B 11 -7.859 5.653 6.726 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.404 6.041 4.121 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.046 5.989 5.751 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.826 8.327 4.514 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.426 8.213 6.216 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.575 8.408 3.849 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.392 9.097 5.450 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.416 3.653 4.867 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.172 2.387 4.186 1.00 0.00 C ATOM 1644 C GLU B 12 -8.351 2.552 2.675 1.00 0.00 C ATOM 1645 O GLU B 12 -8.580 3.656 2.182 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.124 1.306 4.718 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.646 -0.117 4.460 1.00 0.00 C ATOM 1648 CD GLU B 12 -8.790 -1.024 5.667 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -9.667 -0.752 6.514 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -8.025 -2.010 5.762 1.00 0.00 O ATOM 0 H GLU B 12 -9.357 3.750 5.248 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.145 2.078 4.383 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.254 1.446 5.791 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -10.103 1.439 4.258 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.211 -0.538 3.628 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.600 -0.092 4.155 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.252 1.441 1.952 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.413 1.461 0.504 1.00 0.00 C ATOM 1659 C PHE B 13 -9.794 0.937 0.120 1.00 0.00 C ATOM 1660 O PHE B 13 -10.125 -0.230 0.333 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.301 0.669 -0.194 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.353 -0.817 0.008 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -7.091 -1.388 1.246 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.645 -1.647 -1.056 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.124 -2.761 1.409 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.680 -3.016 -0.899 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.420 -3.573 0.331 1.00 0.00 C ATOM 0 H PHE B 13 -8.062 0.519 2.344 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.331 2.494 0.165 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.345 0.876 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.338 1.035 0.162 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.859 -0.754 2.089 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.849 -1.217 -2.026 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.919 -3.197 2.376 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.911 -3.651 -1.742 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.447 -4.646 0.454 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.581 1.837 -0.464 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.931 1.539 -0.920 1.00 0.00 C ATOM 1679 C TYR B 14 -12.042 1.711 -2.435 1.00 0.00 C ATOM 1680 O TYR B 14 -11.116 2.207 -3.075 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.933 2.446 -0.206 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.616 1.777 0.962 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.891 1.010 1.866 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -14.984 1.908 1.162 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -13.509 0.393 2.936 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.611 1.294 2.231 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.868 0.539 3.115 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.488 -0.073 4.180 1.00 0.00 O ATOM 0 H TYR B 14 -10.295 2.801 -0.634 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.158 0.500 -0.680 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.417 3.339 0.146 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.688 2.775 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.826 0.894 1.730 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.568 2.499 0.472 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.931 -0.201 3.629 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.676 1.405 2.373 1.00 0.00 H new ATOM 0 HH TYR B 14 -16.446 0.131 4.162 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.180 1.312 -3.030 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.393 1.441 -4.475 1.00 0.00 C ATOM 1700 C PRO B 15 -13.409 2.888 -4.949 1.00 0.00 C ATOM 1701 O PRO B 15 -14.446 3.555 -4.936 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.757 0.813 -4.711 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.429 0.788 -3.381 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.339 0.703 -2.351 1.00 0.00 C ATOM 0 HA PRO B 15 -12.583 0.964 -5.026 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.335 1.393 -5.430 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.659 -0.193 -5.118 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -16.032 1.684 -3.234 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.103 -0.065 -3.303 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.602 1.244 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.139 -0.329 -2.062 1.00 0.00 H new ATOM 1712 N SER B 16 -12.256 3.353 -5.396 1.00 0.00 N ATOM 1713 CA SER B 16 -12.115 4.711 -5.905 1.00 0.00 C ATOM 1714 C SER B 16 -13.112 4.964 -7.029 1.00 0.00 C ATOM 1715 O SER B 16 -14.038 5.761 -6.883 1.00 0.00 O ATOM 1716 CB SER B 16 -10.692 4.934 -6.402 1.00 0.00 C ATOM 1717 OG SER B 16 -10.235 6.233 -6.072 1.00 0.00 O ATOM 0 H SER B 16 -11.395 2.807 -5.418 1.00 0.00 H new ATOM 0 HA SER B 16 -12.322 5.412 -5.096 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.029 4.189 -5.962 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.655 4.796 -7.483 1.00 0.00 H new ATOM 0 HG SER B 16 -9.421 6.432 -6.580 1.00 0.00 H new ATOM 1723 N GLY B 17 -12.928 4.267 -8.144 1.00 0.00 N ATOM 1724 CA GLY B 17 -13.832 4.414 -9.267 1.00 0.00 C ATOM 1725 C GLY B 17 -15.043 3.512 -9.142 1.00 0.00 C ATOM 1726 O GLY B 17 -15.355 2.753 -10.061 1.00 0.00 O ATOM 0 H GLY B 17 -12.168 3.602 -8.290 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.158 5.452 -9.336 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.302 4.184 -10.191 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.731 3.593 -8.008 1.00 0.00 N ATOM 1731 CA TYR B 18 -16.916 2.780 -7.780 1.00 0.00 C ATOM 1732 C TYR B 18 -18.036 3.182 -8.732 1.00 0.00 C ATOM 1733 O TYR B 18 -18.142 4.344 -9.124 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.382 2.923 -6.332 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.186 1.746 -5.833 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.593 0.505 -5.642 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.538 1.880 -5.543 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.326 -0.570 -5.174 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.277 0.810 -5.076 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.667 -0.412 -4.892 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.398 -1.481 -4.426 1.00 0.00 O ATOM 0 H TYR B 18 -15.488 4.213 -7.235 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.659 1.738 -7.969 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.510 3.054 -5.691 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -17.984 3.827 -6.241 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.543 0.378 -5.862 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.019 2.836 -5.685 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.851 -1.529 -5.030 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.327 0.931 -4.856 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.325 -1.202 -4.276 1.00 0.00 H new