USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 831 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 133 LYS NZ :NH3+ -115:sc= 0.366 (180deg=-0.158) USER MOD Set 1.2: A 135 TYR OH : rot 180:sc= 0.281 USER MOD Set 2.1: A 73 LYS NZ :NH3+ -174:sc= 1.22 (180deg=0.15) USER MOD Set 2.2: A 89 TYR OH : rot 30:sc= 0.914 USER MOD Set 3.1: A 60 SER OG : rot 170:sc= 0.303 USER MOD Set 3.2: A 69 GLN :FLIP amide:sc= -0.937 F(o=-4.4!,f=-3.7) USER MOD Set 3.3: A 83 HIS :FLIP no HD1:sc= -2.56! F(o=-5.5,f=-3.7!) USER MOD Set 3.4: A 86 HIS : no HE2:sc= -0.568 K(o=-3.7,f=-5.5) USER MOD Set 3.5: A 88 HIS : no HD1:sc= -0.16 K(o=-3.7,f=-6.5) USER MOD Set 3.6: A 90 TYR OH : rot 151:sc= 0.21 USER MOD Single : A 53 ASN : amide:sc=-0.00561 X(o=-0.0056,f=-0.069) USER MOD Single : A 55 THR OG1 : rot 130:sc= 0.617 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.6) USER MOD Single : A 75 THR OG1 : rot -5:sc= 1.04 USER MOD Single : A 77 GLN : amide:sc= -0.708 K(o=-0.71,f=-1.8) USER MOD Single : A 79 TYR OH : rot -43:sc= 0.578 USER MOD Single : A 81 THR OG1 : rot -99:sc= 0.197 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0966 X(o=-0.097,f=-0.19) USER MOD Single : A 93 LYS NZ :NH3+ -106:sc= -0.294 (180deg=-2.92!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -174:sc= 0.587 USER MOD Single : A 106 MET CE :methyl -134:sc= -1.77 (180deg=-3.54) USER MOD Single : A 111 TYR OH : rot 25:sc= -0.0803 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 171:sc= -0.012 (180deg=-0.128) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN :FLIP amide:sc= -0.973 F(o=-1.6,f=-0.97) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -39:sc= 0.532 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot 165:sc= -0.013 USER MOD Single : A 139 LYS NZ :NH3+ -144:sc= -1 (180deg=-3.03!) USER MOD Single : A 143 HIS : no HE2:sc= 0.981 K(o=0.98,f=-4.7!) USER MOD Single : A 146 ASN : amide:sc= -3.64! C(o=-3.6!,f=-13!) USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.864 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 164:sc= -0.0402 (180deg=-0.338) USER MOD Single : A 156 GLN : amide:sc=-0.00578 X(o=-0.0058,f=-0.016) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 GLN : amide:sc= -2.07! C(o=-2.1!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 51 -9.745 -9.222 -0.210 1.00 0.80 N ATOM 158 CA ALA A 51 -8.593 -9.481 -1.066 1.00 0.75 C ATOM 159 C ALA A 51 -8.982 -9.142 -2.497 1.00 0.83 C ATOM 160 O ALA A 51 -8.940 -9.992 -3.389 1.00 1.01 O ATOM 161 CB ALA A 51 -8.120 -10.922 -0.974 1.00 0.84 C ATOM 0 HA ALA A 51 -7.761 -8.860 -0.734 1.00 0.75 H new ATOM 0 HB1 ALA A 51 -7.261 -11.065 -1.629 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -7.834 -11.146 0.054 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -8.925 -11.590 -1.281 1.00 0.84 H new ATOM 167 N GLU A 52 -9.384 -7.885 -2.669 1.00 0.75 N ATOM 168 CA GLU A 52 -9.931 -7.360 -3.922 1.00 0.86 C ATOM 169 C GLU A 52 -9.271 -7.931 -5.165 1.00 0.97 C ATOM 170 O GLU A 52 -8.057 -7.821 -5.354 1.00 1.04 O ATOM 171 CB GLU A 52 -9.794 -5.840 -3.959 1.00 0.83 C ATOM 172 CG GLU A 52 -10.243 -5.169 -2.682 1.00 0.91 C ATOM 173 CD GLU A 52 -11.591 -5.681 -2.214 1.00 1.63 C ATOM 174 OE1 GLU A 52 -12.610 -5.388 -2.869 1.00 2.04 O ATOM 175 OE2 GLU A 52 -11.642 -6.370 -1.176 1.00 1.98 O ATOM 0 H GLU A 52 -9.338 -7.187 -1.927 1.00 0.75 H new ATOM 0 HA GLU A 52 -10.977 -7.664 -3.937 1.00 0.86 H new ATOM 0 HB2 GLU A 52 -8.753 -5.580 -4.151 1.00 0.83 H new ATOM 0 HB3 GLU A 52 -10.379 -5.449 -4.792 1.00 0.83 H new ATOM 0 HG2 GLU A 52 -9.500 -5.339 -1.903 1.00 0.91 H new ATOM 0 HG3 GLU A 52 -10.299 -4.092 -2.839 1.00 0.91 H new ATOM 182 N ASN A 53 -10.092 -8.535 -6.007 1.00 1.07 N ATOM 183 CA ASN A 53 -9.656 -8.959 -7.325 1.00 1.20 C ATOM 184 C ASN A 53 -9.867 -7.808 -8.300 1.00 1.20 C ATOM 185 O ASN A 53 -9.253 -7.748 -9.364 1.00 1.34 O ATOM 186 CB ASN A 53 -10.443 -10.192 -7.789 1.00 1.31 C ATOM 187 CG ASN A 53 -11.887 -9.872 -8.144 1.00 1.88 C ATOM 188 OD1 ASN A 53 -12.753 -9.802 -7.272 1.00 2.59 O ATOM 189 ND2 ASN A 53 -12.160 -9.698 -9.428 1.00 2.43 N ATOM 0 H ASN A 53 -11.069 -8.743 -5.799 1.00 1.07 H new ATOM 0 HA ASN A 53 -8.601 -9.230 -7.287 1.00 1.20 H new ATOM 0 HB2 ASN A 53 -9.948 -10.627 -8.657 1.00 1.31 H new ATOM 0 HB3 ASN A 53 -10.426 -10.945 -7.002 1.00 1.31 H new ATOM 0 HD21 ASN A 53 -13.116 -9.498 -9.724 1.00 2.43 H new ATOM 0 HD22 ASN A 53 -11.415 -9.764 -10.121 1.00 2.43 H new ATOM 196 N LEU A 54 -10.754 -6.895 -7.918 1.00 1.12 N ATOM 197 CA LEU A 54 -11.095 -5.751 -8.734 1.00 1.15 C ATOM 198 C LEU A 54 -9.992 -4.697 -8.697 1.00 1.13 C ATOM 199 O LEU A 54 -9.056 -4.781 -7.901 1.00 1.13 O ATOM 200 CB LEU A 54 -12.400 -5.166 -8.216 1.00 1.18 C ATOM 201 CG LEU A 54 -13.370 -4.678 -9.276 1.00 1.18 C ATOM 202 CD1 LEU A 54 -13.730 -5.801 -10.234 1.00 1.28 C ATOM 203 CD2 LEU A 54 -14.605 -4.143 -8.596 1.00 1.81 C ATOM 0 H LEU A 54 -11.254 -6.934 -7.030 1.00 1.12 H new ATOM 0 HA LEU A 54 -11.207 -6.068 -9.771 1.00 1.15 H new ATOM 0 HB2 LEU A 54 -12.901 -5.922 -7.612 1.00 1.18 H new ATOM 0 HB3 LEU A 54 -12.165 -4.333 -7.553 1.00 1.18 H new ATOM 0 HG LEU A 54 -12.902 -3.885 -9.859 1.00 1.18 H new ATOM 0 HD11 LEU A 54 -14.426 -5.429 -10.986 1.00 1.28 H new ATOM 0 HD12 LEU A 54 -12.827 -6.164 -10.724 1.00 1.28 H new ATOM 0 HD13 LEU A 54 -14.195 -6.616 -9.680 1.00 1.28 H new ATOM 0 HD21 LEU A 54 -15.310 -3.789 -9.348 1.00 1.81 H new ATOM 0 HD22 LEU A 54 -15.069 -4.935 -8.008 1.00 1.81 H new ATOM 0 HD23 LEU A 54 -14.330 -3.317 -7.939 1.00 1.81 H new ATOM 215 N THR A 55 -10.120 -3.707 -9.562 1.00 1.16 N ATOM 216 CA THR A 55 -9.152 -2.631 -9.663 1.00 1.21 C ATOM 217 C THR A 55 -9.479 -1.506 -8.673 1.00 1.14 C ATOM 218 O THR A 55 -10.645 -1.295 -8.354 1.00 1.09 O ATOM 219 CB THR A 55 -9.139 -2.087 -11.098 1.00 1.31 C ATOM 220 OG1 THR A 55 -10.482 -1.929 -11.553 1.00 1.30 O ATOM 221 CG2 THR A 55 -8.427 -3.031 -12.038 1.00 1.40 C ATOM 0 H THR A 55 -10.899 -3.627 -10.215 1.00 1.16 H new ATOM 0 HA THR A 55 -8.166 -3.023 -9.414 1.00 1.21 H new ATOM 0 HB THR A 55 -8.613 -1.132 -11.091 1.00 1.31 H new ATOM 0 HG1 THR A 55 -10.597 -1.031 -11.928 1.00 1.30 H new ATOM 0 HG21 THR A 55 -8.436 -2.616 -13.046 1.00 1.40 H new ATOM 0 HG22 THR A 55 -7.396 -3.163 -11.709 1.00 1.40 H new ATOM 0 HG23 THR A 55 -8.935 -3.996 -12.038 1.00 1.40 H new ATOM 229 N PRO A 56 -8.460 -0.766 -8.193 1.00 1.18 N ATOM 230 CA PRO A 56 -8.597 0.188 -7.072 1.00 1.10 C ATOM 231 C PRO A 56 -9.770 1.160 -7.222 1.00 1.05 C ATOM 232 O PRO A 56 -10.488 1.431 -6.251 1.00 0.97 O ATOM 233 CB PRO A 56 -7.263 0.949 -7.061 1.00 1.21 C ATOM 234 CG PRO A 56 -6.557 0.561 -8.318 1.00 1.38 C ATOM 235 CD PRO A 56 -7.089 -0.786 -8.713 1.00 1.34 C ATOM 0 HA PRO A 56 -8.810 -0.342 -6.144 1.00 1.10 H new ATOM 0 HB2 PRO A 56 -7.428 2.026 -7.023 1.00 1.21 H new ATOM 0 HB3 PRO A 56 -6.671 0.686 -6.184 1.00 1.21 H new ATOM 0 HG2 PRO A 56 -6.736 1.294 -9.105 1.00 1.38 H new ATOM 0 HG3 PRO A 56 -5.479 0.520 -8.160 1.00 1.38 H new ATOM 0 HD2 PRO A 56 -7.070 -0.926 -9.794 1.00 1.34 H new ATOM 0 HD3 PRO A 56 -6.504 -1.595 -8.276 1.00 1.34 H new ATOM 243 N ASP A 57 -9.980 1.660 -8.435 1.00 1.13 N ATOM 244 CA ASP A 57 -11.069 2.601 -8.695 1.00 1.14 C ATOM 245 C ASP A 57 -12.389 1.884 -8.532 1.00 1.07 C ATOM 246 O ASP A 57 -13.255 2.303 -7.769 1.00 1.05 O ATOM 247 CB ASP A 57 -10.993 3.180 -10.113 1.00 1.30 C ATOM 248 CG ASP A 57 -9.763 4.027 -10.351 1.00 1.61 C ATOM 249 OD1 ASP A 57 -8.696 3.458 -10.660 1.00 2.15 O ATOM 250 OD2 ASP A 57 -9.859 5.267 -10.253 1.00 1.67 O ATOM 0 H ASP A 57 -9.414 1.432 -9.252 1.00 1.13 H new ATOM 0 HA ASP A 57 -10.981 3.423 -7.985 1.00 1.14 H new ATOM 0 HB2 ASP A 57 -11.006 2.362 -10.833 1.00 1.30 H new ATOM 0 HB3 ASP A 57 -11.882 3.783 -10.299 1.00 1.30 H new ATOM 255 N GLU A 58 -12.502 0.773 -9.244 1.00 1.09 N ATOM 256 CA GLU A 58 -13.668 -0.084 -9.214 1.00 1.05 C ATOM 257 C GLU A 58 -14.000 -0.470 -7.782 1.00 0.93 C ATOM 258 O GLU A 58 -15.165 -0.583 -7.405 1.00 0.93 O ATOM 259 CB GLU A 58 -13.370 -1.334 -10.042 1.00 1.12 C ATOM 260 CG GLU A 58 -13.337 -1.120 -11.554 1.00 1.26 C ATOM 261 CD GLU A 58 -12.752 0.216 -11.982 1.00 1.83 C ATOM 262 OE1 GLU A 58 -11.510 0.343 -11.990 1.00 2.17 O ATOM 263 OE2 GLU A 58 -13.528 1.139 -12.316 1.00 2.54 O ATOM 0 H GLU A 58 -11.769 0.439 -9.870 1.00 1.09 H new ATOM 0 HA GLU A 58 -14.527 0.442 -9.631 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -12.408 -1.738 -9.727 1.00 1.12 H new ATOM 0 HB3 GLU A 58 -14.122 -2.089 -9.814 1.00 1.12 H new ATOM 0 HG2 GLU A 58 -12.756 -1.921 -12.010 1.00 1.26 H new ATOM 0 HG3 GLU A 58 -14.352 -1.201 -11.943 1.00 1.26 H new ATOM 270 N VAL A 59 -12.958 -0.650 -6.988 1.00 0.86 N ATOM 271 CA VAL A 59 -13.111 -1.012 -5.590 1.00 0.75 C ATOM 272 C VAL A 59 -13.733 0.129 -4.795 1.00 0.71 C ATOM 273 O VAL A 59 -14.842 -0.001 -4.276 1.00 0.71 O ATOM 274 CB VAL A 59 -11.752 -1.387 -4.964 1.00 0.72 C ATOM 275 CG1 VAL A 59 -11.885 -1.640 -3.469 1.00 0.63 C ATOM 276 CG2 VAL A 59 -11.165 -2.601 -5.664 1.00 0.82 C ATOM 0 H VAL A 59 -11.989 -0.550 -7.292 1.00 0.86 H new ATOM 0 HA VAL A 59 -13.773 -1.877 -5.550 1.00 0.75 H new ATOM 0 HB VAL A 59 -11.073 -0.545 -5.099 1.00 0.72 H new ATOM 0 HG11 VAL A 59 -10.911 -1.902 -3.056 1.00 0.63 H new ATOM 0 HG12 VAL A 59 -12.256 -0.740 -2.979 1.00 0.63 H new ATOM 0 HG13 VAL A 59 -12.583 -2.460 -3.299 1.00 0.63 H new ATOM 0 HG21 VAL A 59 -10.206 -2.854 -5.211 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -11.848 -3.445 -5.563 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -11.020 -2.377 -6.721 1.00 0.82 H new ATOM 286 N SER A 60 -13.035 1.258 -4.746 1.00 0.70 N ATOM 287 CA SER A 60 -13.410 2.356 -3.865 1.00 0.70 C ATOM 288 C SER A 60 -14.727 3.006 -4.299 1.00 0.74 C ATOM 289 O SER A 60 -15.493 3.493 -3.462 1.00 0.72 O ATOM 290 CB SER A 60 -12.295 3.399 -3.824 1.00 0.76 C ATOM 291 OG SER A 60 -12.189 3.995 -2.540 1.00 0.97 O ATOM 0 H SER A 60 -12.203 1.436 -5.309 1.00 0.70 H new ATOM 0 HA SER A 60 -13.558 1.946 -2.866 1.00 0.70 H new ATOM 0 HB2 SER A 60 -11.347 2.931 -4.089 1.00 0.76 H new ATOM 0 HB3 SER A 60 -12.489 4.170 -4.570 1.00 0.76 H new ATOM 0 HG SER A 60 -11.369 4.530 -2.494 1.00 0.97 H new ATOM 297 N LYS A 61 -14.987 3.005 -5.599 1.00 0.87 N ATOM 298 CA LYS A 61 -16.198 3.605 -6.137 1.00 0.96 C ATOM 299 C LYS A 61 -17.431 2.766 -5.807 1.00 0.94 C ATOM 300 O LYS A 61 -18.503 3.305 -5.535 1.00 1.01 O ATOM 301 CB LYS A 61 -16.078 3.796 -7.649 1.00 1.10 C ATOM 302 CG LYS A 61 -14.994 4.785 -8.047 1.00 1.17 C ATOM 303 CD LYS A 61 -14.831 4.868 -9.555 1.00 1.36 C ATOM 304 CE LYS A 61 -16.098 5.363 -10.235 1.00 2.01 C ATOM 305 NZ LYS A 61 -15.913 5.525 -11.701 1.00 2.54 N ATOM 0 H LYS A 61 -14.373 2.594 -6.302 1.00 0.87 H new ATOM 0 HA LYS A 61 -16.319 4.581 -5.667 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -15.870 2.833 -8.114 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -17.035 4.139 -8.042 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -15.240 5.771 -7.653 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -14.048 4.488 -7.595 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -14.005 5.537 -9.795 1.00 1.36 H new ATOM 0 HD3 LYS A 61 -14.569 3.885 -9.947 1.00 1.36 H new ATOM 0 HE2 LYS A 61 -16.909 4.660 -10.047 1.00 2.01 H new ATOM 0 HE3 LYS A 61 -16.395 6.317 -9.799 1.00 2.01 H new ATOM 0 HZ1 LYS A 61 -16.799 5.864 -12.127 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 -15.156 6.215 -11.881 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 -15.654 4.610 -12.122 1.00 2.54 H new ATOM 319 N ARG A 62 -17.277 1.448 -5.834 1.00 0.88 N ATOM 320 CA ARG A 62 -18.377 0.547 -5.523 1.00 0.89 C ATOM 321 C ARG A 62 -18.748 0.612 -4.045 1.00 0.77 C ATOM 322 O ARG A 62 -19.928 0.649 -3.697 1.00 0.82 O ATOM 323 CB ARG A 62 -18.030 -0.886 -5.925 1.00 0.93 C ATOM 324 CG ARG A 62 -18.210 -1.153 -7.405 1.00 1.21 C ATOM 325 CD ARG A 62 -17.783 -2.554 -7.787 1.00 1.21 C ATOM 326 NE ARG A 62 -18.380 -3.577 -6.929 1.00 1.85 N ATOM 327 CZ ARG A 62 -18.313 -4.883 -7.172 1.00 2.40 C ATOM 328 NH1 ARG A 62 -17.776 -5.325 -8.304 1.00 2.53 N ATOM 329 NH2 ARG A 62 -18.810 -5.745 -6.294 1.00 3.33 N ATOM 0 H ARG A 62 -16.401 0.981 -6.068 1.00 0.88 H new ATOM 0 HA ARG A 62 -19.243 0.870 -6.100 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -16.996 -1.093 -5.649 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -18.656 -1.576 -5.360 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -19.256 -1.007 -7.675 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -17.629 -0.429 -7.977 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -18.063 -2.745 -8.823 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -16.697 -2.627 -7.731 1.00 1.21 H new ATOM 0 HE ARG A 62 -18.878 -3.270 -6.093 1.00 1.85 H new ATOM 0 HH11 ARG A 62 -17.414 -4.662 -8.989 1.00 2.53 H new ATOM 0 HH12 ARG A 62 -17.726 -6.327 -8.488 1.00 2.53 H new ATOM 0 HH21 ARG A 62 -19.242 -5.406 -5.435 1.00 3.33 H new ATOM 0 HH22 ARG A 62 -18.760 -6.747 -6.478 1.00 3.33 H new ATOM 343 N GLU A 63 -17.739 0.635 -3.183 1.00 0.68 N ATOM 344 CA GLU A 63 -17.965 0.722 -1.742 1.00 0.63 C ATOM 345 C GLU A 63 -18.479 2.105 -1.349 1.00 0.66 C ATOM 346 O GLU A 63 -19.272 2.238 -0.419 1.00 0.73 O ATOM 347 CB GLU A 63 -16.687 0.374 -0.985 1.00 0.59 C ATOM 348 CG GLU A 63 -15.443 0.979 -1.598 1.00 0.58 C ATOM 349 CD GLU A 63 -14.193 0.602 -0.854 1.00 0.65 C ATOM 350 OE1 GLU A 63 -14.235 0.466 0.362 1.00 1.21 O ATOM 351 OE2 GLU A 63 -13.164 0.411 -1.524 1.00 1.25 O ATOM 0 H GLU A 63 -16.757 0.595 -3.454 1.00 0.68 H new ATOM 0 HA GLU A 63 -18.733 -0.002 -1.470 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -16.779 0.717 0.046 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -16.577 -0.710 -0.952 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -15.357 0.653 -2.635 1.00 0.58 H new ATOM 0 HG3 GLU A 63 -15.540 2.065 -1.612 1.00 0.58 H new ATOM 358 N GLY A 64 -18.023 3.135 -2.051 1.00 0.69 N ATOM 359 CA GLY A 64 -18.617 4.447 -1.882 1.00 0.74 C ATOM 360 C GLY A 64 -17.675 5.498 -1.327 1.00 0.72 C ATOM 361 O GLY A 64 -17.935 6.693 -1.475 1.00 0.86 O ATOM 0 H GLY A 64 -17.261 3.087 -2.727 1.00 0.69 H new ATOM 0 HA2 GLY A 64 -18.994 4.788 -2.846 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -19.476 4.360 -1.217 1.00 0.74 H new ATOM 365 N ILE A 65 -16.591 5.082 -0.683 1.00 0.62 N ATOM 366 CA ILE A 65 -15.675 6.051 -0.083 1.00 0.67 C ATOM 367 C ILE A 65 -14.873 6.807 -1.136 1.00 0.81 C ATOM 368 O ILE A 65 -14.659 8.013 -1.003 1.00 1.76 O ATOM 369 CB ILE A 65 -14.716 5.434 0.963 1.00 0.61 C ATOM 370 CG1 ILE A 65 -14.225 4.042 0.552 1.00 0.53 C ATOM 371 CG2 ILE A 65 -15.388 5.377 2.320 1.00 0.89 C ATOM 372 CD1 ILE A 65 -13.384 3.373 1.618 1.00 0.49 C ATOM 0 H ILE A 65 -16.326 4.104 -0.563 1.00 0.62 H new ATOM 0 HA ILE A 65 -16.320 6.753 0.445 1.00 0.67 H new ATOM 0 HB ILE A 65 -13.840 6.080 1.020 1.00 0.61 H new ATOM 0 HG12 ILE A 65 -15.085 3.411 0.327 1.00 0.53 H new ATOM 0 HG13 ILE A 65 -13.641 4.125 -0.365 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -14.703 4.941 3.047 1.00 0.89 H new ATOM 0 HG22 ILE A 65 -15.658 6.385 2.635 1.00 0.89 H new ATOM 0 HG23 ILE A 65 -16.287 4.764 2.255 1.00 0.89 H new ATOM 0 HD11 ILE A 65 -13.066 2.391 1.268 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -12.507 3.985 1.826 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -13.973 3.261 2.528 1.00 0.49 H new ATOM 384 N ASN A 66 -14.433 6.092 -2.174 1.00 0.75 N ATOM 385 CA ASN A 66 -13.714 6.692 -3.311 1.00 0.69 C ATOM 386 C ASN A 66 -12.321 7.191 -2.906 1.00 0.61 C ATOM 387 O ASN A 66 -11.513 7.567 -3.755 1.00 0.64 O ATOM 388 CB ASN A 66 -14.547 7.832 -3.927 1.00 0.83 C ATOM 389 CG ASN A 66 -13.926 8.432 -5.179 1.00 1.38 C ATOM 390 OD1 ASN A 66 -14.145 7.949 -6.290 1.00 2.09 O ATOM 391 ND2 ASN A 66 -13.166 9.502 -5.013 1.00 2.10 N ATOM 0 H ASN A 66 -14.562 5.083 -2.254 1.00 0.75 H new ATOM 0 HA ASN A 66 -13.571 5.915 -4.062 1.00 0.69 H new ATOM 0 HB2 ASN A 66 -15.541 7.455 -4.169 1.00 0.83 H new ATOM 0 HB3 ASN A 66 -14.677 8.618 -3.183 1.00 0.83 H new ATOM 0 HD21 ASN A 66 -12.739 9.955 -5.821 1.00 2.10 H new ATOM 0 HD22 ASN A 66 -13.007 9.874 -4.077 1.00 2.10 H new ATOM 398 N ALA A 67 -12.032 7.158 -1.607 1.00 0.54 N ATOM 399 CA ALA A 67 -10.773 7.672 -1.079 1.00 0.49 C ATOM 400 C ALA A 67 -9.571 6.877 -1.586 1.00 0.44 C ATOM 401 O ALA A 67 -9.713 5.751 -2.079 1.00 0.45 O ATOM 402 CB ALA A 67 -10.806 7.664 0.439 1.00 0.47 C ATOM 0 H ALA A 67 -12.658 6.778 -0.897 1.00 0.54 H new ATOM 0 HA ALA A 67 -10.659 8.696 -1.436 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -9.862 8.049 0.825 1.00 0.47 H new ATOM 0 HB2 ALA A 67 -11.625 8.293 0.788 1.00 0.47 H new ATOM 0 HB3 ALA A 67 -10.954 6.644 0.794 1.00 0.47 H new ATOM 408 N GLU A 68 -8.394 7.482 -1.460 1.00 0.44 N ATOM 409 CA GLU A 68 -7.148 6.867 -1.899 1.00 0.42 C ATOM 410 C GLU A 68 -6.799 5.663 -1.046 1.00 0.34 C ATOM 411 O GLU A 68 -7.037 5.657 0.162 1.00 0.35 O ATOM 412 CB GLU A 68 -6.006 7.875 -1.832 1.00 0.50 C ATOM 413 CG GLU A 68 -6.154 9.012 -2.821 1.00 0.78 C ATOM 414 CD GLU A 68 -6.314 8.526 -4.247 1.00 1.79 C ATOM 415 OE1 GLU A 68 -5.289 8.244 -4.899 1.00 2.28 O ATOM 416 OE2 GLU A 68 -7.465 8.424 -4.719 1.00 2.59 O ATOM 0 H GLU A 68 -8.278 8.410 -1.052 1.00 0.44 H new ATOM 0 HA GLU A 68 -7.289 6.539 -2.929 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -5.950 8.285 -0.823 1.00 0.50 H new ATOM 0 HB3 GLU A 68 -5.064 7.360 -2.019 1.00 0.50 H new ATOM 0 HG2 GLU A 68 -7.019 9.616 -2.548 1.00 0.78 H new ATOM 0 HG3 GLU A 68 -5.280 9.660 -2.758 1.00 0.78 H new ATOM 423 N GLN A 69 -6.226 4.653 -1.679 1.00 0.31 N ATOM 424 CA GLN A 69 -5.799 3.456 -0.977 1.00 0.24 C ATOM 425 C GLN A 69 -4.450 3.689 -0.320 1.00 0.21 C ATOM 426 O GLN A 69 -3.447 3.859 -1.006 1.00 0.27 O ATOM 427 CB GLN A 69 -5.689 2.266 -1.930 1.00 0.29 C ATOM 428 CG GLN A 69 -7.000 1.554 -2.223 1.00 0.43 C ATOM 429 CD GLN A 69 -7.880 2.270 -3.229 1.00 0.80 C ATOM 430 OE1 GLN A 69 -9.158 1.920 -3.242 1.00 1.64 O flip ATOM 431 NE2 GLN A 69 -7.409 3.069 -4.033 1.00 0.76 N flip ATOM 0 H GLN A 69 -6.045 4.639 -2.683 1.00 0.31 H new ATOM 0 HA GLN A 69 -6.549 3.232 -0.218 1.00 0.24 H new ATOM 0 HB2 GLN A 69 -5.263 2.612 -2.872 1.00 0.29 H new ATOM 0 HB3 GLN A 69 -4.988 1.546 -1.508 1.00 0.29 H new ATOM 0 HG2 GLN A 69 -6.782 0.552 -2.594 1.00 0.43 H new ATOM 0 HG3 GLN A 69 -7.553 1.436 -1.291 1.00 0.43 H new ATOM 0 HE21 GLN A 69 -6.419 3.313 -3.990 1.00 0.76 H new ATOM 0 HE22 GLN A 69 -8.007 3.489 -4.744 1.00 0.76 H new ATOM 440 N ILE A 70 -4.428 3.701 1.004 1.00 0.19 N ATOM 441 CA ILE A 70 -3.188 3.898 1.737 1.00 0.17 C ATOM 442 C ILE A 70 -2.702 2.571 2.314 1.00 0.14 C ATOM 443 O ILE A 70 -3.170 2.128 3.360 1.00 0.14 O ATOM 444 CB ILE A 70 -3.380 4.933 2.860 1.00 0.21 C ATOM 445 CG1 ILE A 70 -3.909 6.240 2.259 1.00 0.27 C ATOM 446 CG2 ILE A 70 -2.069 5.166 3.601 1.00 0.21 C ATOM 447 CD1 ILE A 70 -4.301 7.281 3.280 1.00 0.36 C ATOM 0 H ILE A 70 -5.253 3.577 1.591 1.00 0.19 H new ATOM 0 HA ILE A 70 -2.434 4.278 1.047 1.00 0.17 H new ATOM 0 HB ILE A 70 -4.106 4.555 3.580 1.00 0.21 H new ATOM 0 HG12 ILE A 70 -3.146 6.660 1.604 1.00 0.27 H new ATOM 0 HG13 ILE A 70 -4.775 6.015 1.636 1.00 0.27 H new ATOM 0 HG21 ILE A 70 -2.223 5.901 4.391 1.00 0.21 H new ATOM 0 HG22 ILE A 70 -1.727 4.228 4.039 1.00 0.21 H new ATOM 0 HG23 ILE A 70 -1.318 5.536 2.903 1.00 0.21 H new ATOM 0 HD11 ILE A 70 -4.664 8.173 2.769 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -5.088 6.884 3.921 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -3.434 7.539 3.888 1.00 0.36 H new ATOM 459 N VAL A 71 -1.770 1.941 1.616 1.00 0.15 N ATOM 460 CA VAL A 71 -1.288 0.615 1.984 1.00 0.15 C ATOM 461 C VAL A 71 -0.556 0.650 3.328 1.00 0.14 C ATOM 462 O VAL A 71 0.507 1.257 3.459 1.00 0.17 O ATOM 463 CB VAL A 71 -0.364 0.025 0.887 1.00 0.18 C ATOM 464 CG1 VAL A 71 0.116 -1.364 1.262 1.00 0.19 C ATOM 465 CG2 VAL A 71 -1.069 -0.020 -0.463 1.00 0.20 C ATOM 0 H VAL A 71 -1.328 2.330 0.783 1.00 0.15 H new ATOM 0 HA VAL A 71 -2.160 -0.032 2.080 1.00 0.15 H new ATOM 0 HB VAL A 71 0.501 0.684 0.807 1.00 0.18 H new ATOM 0 HG11 VAL A 71 0.762 -1.751 0.474 1.00 0.19 H new ATOM 0 HG12 VAL A 71 0.674 -1.316 2.197 1.00 0.19 H new ATOM 0 HG13 VAL A 71 -0.742 -2.025 1.385 1.00 0.19 H new ATOM 0 HG21 VAL A 71 -0.396 -0.438 -1.211 1.00 0.20 H new ATOM 0 HG22 VAL A 71 -1.960 -0.643 -0.388 1.00 0.20 H new ATOM 0 HG23 VAL A 71 -1.356 0.989 -0.757 1.00 0.20 H new ATOM 475 N ILE A 72 -1.160 0.014 4.327 1.00 0.14 N ATOM 476 CA ILE A 72 -0.590 -0.065 5.669 1.00 0.17 C ATOM 477 C ILE A 72 0.154 -1.379 5.874 1.00 0.22 C ATOM 478 O ILE A 72 1.097 -1.451 6.660 1.00 0.29 O ATOM 479 CB ILE A 72 -1.679 0.062 6.748 1.00 0.18 C ATOM 480 CG1 ILE A 72 -2.879 -0.815 6.377 1.00 0.19 C ATOM 481 CG2 ILE A 72 -2.086 1.518 6.910 1.00 0.19 C ATOM 482 CD1 ILE A 72 -3.807 -1.116 7.526 1.00 0.21 C ATOM 0 H ILE A 72 -2.057 -0.461 4.230 1.00 0.14 H new ATOM 0 HA ILE A 72 0.109 0.766 5.764 1.00 0.17 H new ATOM 0 HB ILE A 72 -1.287 -0.284 7.705 1.00 0.18 H new ATOM 0 HG12 ILE A 72 -3.445 -0.320 5.588 1.00 0.19 H new ATOM 0 HG13 ILE A 72 -2.513 -1.755 5.965 1.00 0.19 H new ATOM 0 HG21 ILE A 72 -2.857 1.597 7.676 1.00 0.19 H new ATOM 0 HG22 ILE A 72 -1.218 2.108 7.206 1.00 0.19 H new ATOM 0 HG23 ILE A 72 -2.474 1.895 5.964 1.00 0.19 H new ATOM 0 HD11 ILE A 72 -4.628 -1.741 7.176 1.00 0.21 H new ATOM 0 HD12 ILE A 72 -3.259 -1.641 8.308 1.00 0.21 H new ATOM 0 HD13 ILE A 72 -4.206 -0.184 7.926 1.00 0.21 H new ATOM 494 N LYS A 73 -0.287 -2.419 5.182 1.00 0.21 N ATOM 495 CA LYS A 73 0.430 -3.686 5.169 1.00 0.26 C ATOM 496 C LYS A 73 0.758 -4.074 3.744 1.00 0.24 C ATOM 497 O LYS A 73 -0.082 -3.963 2.859 1.00 0.25 O ATOM 498 CB LYS A 73 -0.369 -4.822 5.819 1.00 0.35 C ATOM 499 CG LYS A 73 0.217 -6.194 5.473 1.00 0.41 C ATOM 500 CD LYS A 73 -0.509 -7.354 6.122 1.00 0.59 C ATOM 501 CE LYS A 73 -1.414 -8.081 5.142 1.00 1.22 C ATOM 502 NZ LYS A 73 -1.981 -9.324 5.732 1.00 1.94 N ATOM 0 H LYS A 73 -1.139 -2.411 4.621 1.00 0.21 H new ATOM 0 HA LYS A 73 1.340 -3.541 5.751 1.00 0.26 H new ATOM 0 HB2 LYS A 73 -0.375 -4.691 6.901 1.00 0.35 H new ATOM 0 HB3 LYS A 73 -1.406 -4.774 5.487 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.196 -6.325 4.391 1.00 0.41 H new ATOM 0 HG3 LYS A 73 1.264 -6.218 5.776 1.00 0.41 H new ATOM 0 HD2 LYS A 73 0.220 -8.054 6.530 1.00 0.59 H new ATOM 0 HD3 LYS A 73 -1.102 -6.987 6.959 1.00 0.59 H new ATOM 0 HE2 LYS A 73 -2.226 -7.420 4.837 1.00 1.22 H new ATOM 0 HE3 LYS A 73 -0.851 -8.330 4.243 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 -2.510 -9.844 5.003 1.00 1.94 H new ATOM 0 HZ2 LYS A 73 -1.209 -9.921 6.092 1.00 1.94 H new ATOM 0 HZ3 LYS A 73 -2.621 -9.077 6.514 1.00 1.94 H new ATOM 516 N ILE A 74 1.967 -4.552 3.541 1.00 0.28 N ATOM 517 CA ILE A 74 2.404 -4.993 2.228 1.00 0.31 C ATOM 518 C ILE A 74 2.830 -6.444 2.284 1.00 0.38 C ATOM 519 O ILE A 74 3.405 -6.887 3.275 1.00 0.41 O ATOM 520 CB ILE A 74 3.599 -4.174 1.694 1.00 0.35 C ATOM 521 CG1 ILE A 74 3.271 -2.685 1.650 1.00 0.38 C ATOM 522 CG2 ILE A 74 3.993 -4.663 0.307 1.00 0.40 C ATOM 523 CD1 ILE A 74 4.441 -1.829 1.234 1.00 0.44 C ATOM 0 H ILE A 74 2.671 -4.647 4.273 1.00 0.28 H new ATOM 0 HA ILE A 74 1.555 -4.853 1.559 1.00 0.31 H new ATOM 0 HB ILE A 74 4.437 -4.317 2.376 1.00 0.35 H new ATOM 0 HG12 ILE A 74 2.446 -2.522 0.957 1.00 0.38 H new ATOM 0 HG13 ILE A 74 2.928 -2.366 2.634 1.00 0.38 H new ATOM 0 HG21 ILE A 74 4.837 -4.078 -0.059 1.00 0.40 H new ATOM 0 HG22 ILE A 74 4.276 -5.714 0.359 1.00 0.40 H new ATOM 0 HG23 ILE A 74 3.149 -4.547 -0.373 1.00 0.40 H new ATOM 0 HD11 ILE A 74 4.140 -0.781 1.223 1.00 0.44 H new ATOM 0 HD12 ILE A 74 5.260 -1.964 1.941 1.00 0.44 H new ATOM 0 HD13 ILE A 74 4.770 -2.122 0.237 1.00 0.44 H new ATOM 535 N THR A 75 2.519 -7.177 1.235 1.00 0.45 N ATOM 536 CA THR A 75 3.066 -8.499 1.027 1.00 0.54 C ATOM 537 C THR A 75 3.330 -8.676 -0.462 1.00 0.60 C ATOM 538 O THR A 75 3.015 -7.785 -1.251 1.00 0.71 O ATOM 539 CB THR A 75 2.124 -9.616 1.542 1.00 0.69 C ATOM 540 OG1 THR A 75 0.846 -9.508 0.911 1.00 0.79 O ATOM 541 CG2 THR A 75 1.944 -9.556 3.058 1.00 0.72 C ATOM 0 H THR A 75 1.879 -6.871 0.502 1.00 0.45 H new ATOM 0 HA THR A 75 3.991 -8.587 1.598 1.00 0.54 H new ATOM 0 HB THR A 75 2.586 -10.571 1.292 1.00 0.69 H new ATOM 0 HG1 THR A 75 0.823 -8.701 0.355 1.00 0.79 H new ATOM 0 HG21 THR A 75 1.276 -10.356 3.377 1.00 0.72 H new ATOM 0 HG22 THR A 75 2.912 -9.675 3.544 1.00 0.72 H new ATOM 0 HG23 THR A 75 1.515 -8.593 3.336 1.00 0.72 H new ATOM 549 N ASP A 76 3.905 -9.794 -0.859 1.00 0.70 N ATOM 550 CA ASP A 76 4.214 -10.005 -2.267 1.00 0.82 C ATOM 551 C ASP A 76 2.969 -10.443 -3.030 1.00 0.90 C ATOM 552 O ASP A 76 2.866 -10.257 -4.243 1.00 1.08 O ATOM 553 CB ASP A 76 5.330 -11.039 -2.419 1.00 1.00 C ATOM 554 CG ASP A 76 5.844 -11.126 -3.841 1.00 1.46 C ATOM 555 OD1 ASP A 76 6.477 -10.157 -4.304 1.00 2.01 O ATOM 556 OD2 ASP A 76 5.610 -12.154 -4.503 1.00 2.15 O ATOM 0 H ASP A 76 4.166 -10.562 -0.241 1.00 0.70 H new ATOM 0 HA ASP A 76 4.559 -9.061 -2.690 1.00 0.82 H new ATOM 0 HB2 ASP A 76 6.153 -10.782 -1.753 1.00 1.00 H new ATOM 0 HB3 ASP A 76 4.961 -12.016 -2.108 1.00 1.00 H new ATOM 561 N GLN A 77 2.010 -10.998 -2.299 1.00 0.94 N ATOM 562 CA GLN A 77 0.793 -11.527 -2.898 1.00 1.14 C ATOM 563 C GLN A 77 -0.367 -10.540 -2.771 1.00 1.11 C ATOM 564 O GLN A 77 -1.444 -10.766 -3.320 1.00 1.49 O ATOM 565 CB GLN A 77 0.413 -12.863 -2.246 1.00 1.36 C ATOM 566 CG GLN A 77 1.349 -14.014 -2.593 1.00 1.89 C ATOM 567 CD GLN A 77 2.734 -13.878 -1.983 1.00 2.52 C ATOM 568 OE1 GLN A 77 2.905 -13.319 -0.896 1.00 2.98 O ATOM 569 NE2 GLN A 77 3.735 -14.375 -2.688 1.00 3.19 N ATOM 0 H GLN A 77 2.053 -11.093 -1.284 1.00 0.94 H new ATOM 0 HA GLN A 77 0.990 -11.687 -3.958 1.00 1.14 H new ATOM 0 HB2 GLN A 77 0.398 -12.735 -1.164 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -0.600 -13.128 -2.550 1.00 1.36 H new ATOM 0 HG2 GLN A 77 0.902 -14.949 -2.254 1.00 1.89 H new ATOM 0 HG3 GLN A 77 1.444 -14.080 -3.677 1.00 1.89 H new ATOM 0 HE21 GLN A 77 3.552 -14.830 -3.582 1.00 3.19 H new ATOM 0 HE22 GLN A 77 4.690 -14.304 -2.338 1.00 3.19 H new ATOM 578 N GLY A 78 -0.147 -9.450 -2.051 1.00 0.78 N ATOM 579 CA GLY A 78 -1.201 -8.474 -1.857 1.00 0.78 C ATOM 580 C GLY A 78 -0.832 -7.425 -0.833 1.00 0.72 C ATOM 581 O GLY A 78 0.329 -7.317 -0.437 1.00 0.99 O ATOM 0 H GLY A 78 0.739 -9.224 -1.599 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -1.422 -7.988 -2.807 1.00 0.78 H new ATOM 0 HA3 GLY A 78 -2.111 -8.984 -1.540 1.00 0.78 H new ATOM 585 N TYR A 79 -1.811 -6.656 -0.398 1.00 0.43 N ATOM 586 CA TYR A 79 -1.595 -5.649 0.628 1.00 0.36 C ATOM 587 C TYR A 79 -2.871 -5.384 1.375 1.00 0.28 C ATOM 588 O TYR A 79 -3.918 -5.955 1.072 1.00 0.28 O ATOM 589 CB TYR A 79 -1.103 -4.324 0.044 1.00 0.40 C ATOM 590 CG TYR A 79 -2.035 -3.689 -0.965 1.00 1.14 C ATOM 591 CD1 TYR A 79 -3.271 -3.156 -0.625 1.00 2.36 C ATOM 592 CD2 TYR A 79 -1.649 -3.636 -2.266 1.00 1.23 C ATOM 593 CE1 TYR A 79 -4.085 -2.587 -1.586 1.00 3.09 C ATOM 594 CE2 TYR A 79 -2.445 -3.075 -3.243 1.00 1.86 C ATOM 595 CZ TYR A 79 -3.665 -2.550 -2.897 1.00 2.67 C ATOM 596 OH TYR A 79 -4.469 -1.989 -3.862 1.00 3.47 O ATOM 0 H TYR A 79 -2.770 -6.709 -0.740 1.00 0.43 H new ATOM 0 HA TYR A 79 -0.830 -6.045 1.296 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -0.942 -3.621 0.861 1.00 0.40 H new ATOM 0 HB3 TYR A 79 -0.135 -4.489 -0.430 1.00 0.40 H new ATOM 0 HD1 TYR A 79 -3.600 -3.186 0.403 1.00 2.36 H new ATOM 0 HD2 TYR A 79 -0.689 -4.046 -2.544 1.00 1.23 H new ATOM 0 HE1 TYR A 79 -5.044 -2.174 -1.311 1.00 3.09 H new ATOM 0 HE2 TYR A 79 -2.112 -3.049 -4.270 1.00 1.86 H new ATOM 0 HH TYR A 79 -5.396 -2.273 -3.721 1.00 3.47 H new ATOM 606 N VAL A 80 -2.785 -4.498 2.340 1.00 0.29 N ATOM 607 CA VAL A 80 -3.965 -3.996 2.982 1.00 0.27 C ATOM 608 C VAL A 80 -3.858 -2.488 3.126 1.00 0.21 C ATOM 609 O VAL A 80 -2.815 -1.976 3.528 1.00 0.19 O ATOM 610 CB VAL A 80 -4.196 -4.635 4.373 1.00 0.28 C ATOM 611 CG1 VAL A 80 -5.551 -4.249 4.942 1.00 0.28 C ATOM 612 CG2 VAL A 80 -4.051 -6.145 4.310 1.00 0.40 C ATOM 0 H VAL A 80 -1.909 -4.114 2.693 1.00 0.29 H new ATOM 0 HA VAL A 80 -4.818 -4.260 2.357 1.00 0.27 H new ATOM 0 HB VAL A 80 -3.429 -4.247 5.043 1.00 0.28 H new ATOM 0 HG11 VAL A 80 -5.681 -4.714 5.919 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -5.607 -3.165 5.046 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -6.338 -4.590 4.270 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -4.218 -6.568 5.300 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -4.784 -6.552 3.613 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -3.047 -6.400 3.971 1.00 0.40 H new ATOM 622 N THR A 81 -4.919 -1.784 2.781 1.00 0.22 N ATOM 623 CA THR A 81 -4.904 -0.333 2.809 1.00 0.22 C ATOM 624 C THR A 81 -5.798 0.219 3.905 1.00 0.22 C ATOM 625 O THR A 81 -6.902 -0.272 4.118 1.00 0.35 O ATOM 626 CB THR A 81 -5.374 0.255 1.467 1.00 0.32 C ATOM 627 OG1 THR A 81 -6.641 -0.306 1.103 1.00 0.36 O ATOM 628 CG2 THR A 81 -4.365 -0.014 0.369 1.00 0.40 C ATOM 0 H THR A 81 -5.803 -2.193 2.478 1.00 0.22 H new ATOM 0 HA THR A 81 -3.871 -0.043 3.003 1.00 0.22 H new ATOM 0 HB THR A 81 -5.473 1.334 1.588 1.00 0.32 H new ATOM 0 HG1 THR A 81 -6.505 -1.031 0.458 1.00 0.36 H new ATOM 0 HG21 THR A 81 -4.724 0.413 -0.568 1.00 0.40 H new ATOM 0 HG22 THR A 81 -3.410 0.441 0.633 1.00 0.40 H new ATOM 0 HG23 THR A 81 -4.234 -1.090 0.251 1.00 0.40 H new ATOM 636 N SER A 82 -5.322 1.242 4.587 1.00 0.19 N ATOM 637 CA SER A 82 -6.166 2.026 5.457 1.00 0.20 C ATOM 638 C SER A 82 -6.717 3.167 4.631 1.00 0.24 C ATOM 639 O SER A 82 -6.121 4.243 4.557 1.00 0.29 O ATOM 640 CB SER A 82 -5.376 2.563 6.652 1.00 0.25 C ATOM 641 OG SER A 82 -6.182 3.390 7.473 1.00 1.19 O ATOM 0 H SER A 82 -4.350 1.548 4.553 1.00 0.19 H new ATOM 0 HA SER A 82 -6.971 1.411 5.859 1.00 0.20 H new ATOM 0 HB2 SER A 82 -4.990 1.730 7.239 1.00 0.25 H new ATOM 0 HB3 SER A 82 -4.515 3.129 6.297 1.00 0.25 H new ATOM 0 HG SER A 82 -5.651 3.717 8.229 1.00 1.19 H new ATOM 647 N HIS A 83 -7.847 2.927 3.999 1.00 0.24 N ATOM 648 CA HIS A 83 -8.362 3.857 3.025 1.00 0.30 C ATOM 649 C HIS A 83 -9.801 4.223 3.366 1.00 0.29 C ATOM 650 O HIS A 83 -10.514 3.442 4.001 1.00 0.27 O ATOM 651 CB HIS A 83 -8.214 3.264 1.600 1.00 0.33 C ATOM 652 CG HIS A 83 -9.363 2.431 1.130 1.00 0.32 C ATOM 653 ND1 HIS A 83 -10.166 1.581 1.816 1.00 0.39 N flip ATOM 654 CD2 HIS A 83 -9.841 2.444 -0.174 1.00 0.28 C flip ATOM 655 CE1 HIS A 83 -11.116 1.109 0.951 1.00 0.39 C flip ATOM 656 NE2 HIS A 83 -10.903 1.626 -0.223 1.00 0.33 N flip ATOM 0 H HIS A 83 -8.422 2.097 4.144 1.00 0.24 H new ATOM 0 HA HIS A 83 -7.785 4.781 3.048 1.00 0.30 H new ATOM 0 HB2 HIS A 83 -8.070 4.084 0.897 1.00 0.33 H new ATOM 0 HB3 HIS A 83 -7.310 2.656 1.570 1.00 0.33 H new ATOM 0 HD2 HIS A 83 -9.432 3.010 -0.998 1.00 0.28 H new ATOM 0 HE1 HIS A 83 -11.910 0.422 1.202 1.00 0.39 H new ATOM 0 HE2 HIS A 83 -11.460 1.438 -1.056 1.00 0.33 H new ATOM 664 N GLY A 84 -10.214 5.415 2.975 1.00 0.35 N ATOM 665 CA GLY A 84 -11.560 5.859 3.264 1.00 0.36 C ATOM 666 C GLY A 84 -11.791 6.057 4.747 1.00 0.36 C ATOM 667 O GLY A 84 -11.524 7.127 5.282 1.00 0.42 O ATOM 0 H GLY A 84 -9.641 6.085 2.462 1.00 0.35 H new ATOM 0 HA2 GLY A 84 -11.752 6.795 2.740 1.00 0.36 H new ATOM 0 HA3 GLY A 84 -12.272 5.128 2.882 1.00 0.36 H new ATOM 671 N ASP A 85 -12.296 5.025 5.402 1.00 0.33 N ATOM 672 CA ASP A 85 -12.577 5.079 6.831 1.00 0.36 C ATOM 673 C ASP A 85 -12.057 3.826 7.537 1.00 0.33 C ATOM 674 O ASP A 85 -12.041 3.749 8.767 1.00 0.38 O ATOM 675 CB ASP A 85 -14.092 5.230 7.040 1.00 0.42 C ATOM 676 CG ASP A 85 -14.514 5.191 8.499 1.00 0.89 C ATOM 677 OD1 ASP A 85 -14.302 6.195 9.216 1.00 0.85 O ATOM 678 OD2 ASP A 85 -15.069 4.160 8.935 1.00 1.59 O ATOM 0 H ASP A 85 -12.522 4.132 4.964 1.00 0.33 H new ATOM 0 HA ASP A 85 -12.064 5.937 7.265 1.00 0.36 H new ATOM 0 HB2 ASP A 85 -14.418 6.173 6.602 1.00 0.42 H new ATOM 0 HB3 ASP A 85 -14.605 4.434 6.501 1.00 0.42 H new ATOM 683 N HIS A 86 -11.586 2.861 6.760 1.00 0.29 N ATOM 684 CA HIS A 86 -11.317 1.530 7.293 1.00 0.27 C ATOM 685 C HIS A 86 -10.080 0.897 6.691 1.00 0.23 C ATOM 686 O HIS A 86 -9.388 1.491 5.866 1.00 0.21 O ATOM 687 CB HIS A 86 -12.522 0.619 7.033 1.00 0.29 C ATOM 688 CG HIS A 86 -12.951 0.573 5.591 1.00 0.27 C ATOM 689 ND1 HIS A 86 -14.247 0.833 5.167 1.00 0.30 N ATOM 690 CD2 HIS A 86 -12.237 0.274 4.464 1.00 0.26 C ATOM 691 CE1 HIS A 86 -14.283 0.683 3.832 1.00 0.30 C ATOM 692 NE2 HIS A 86 -13.106 0.342 3.389 1.00 0.28 N ATOM 0 H HIS A 86 -11.383 2.971 5.766 1.00 0.29 H new ATOM 0 HA HIS A 86 -11.141 1.645 8.363 1.00 0.27 H new ATOM 0 HB2 HIS A 86 -12.279 -0.391 7.362 1.00 0.29 H new ATOM 0 HB3 HIS A 86 -13.360 0.959 7.641 1.00 0.29 H new ATOM 0 HD1 HIS A 86 -15.033 1.092 5.763 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -11.186 0.029 4.421 1.00 0.26 H new ATOM 0 HE1 HIS A 86 -15.159 0.824 3.216 1.00 0.30 H new ATOM 700 N TYR A 87 -9.815 -0.324 7.128 1.00 0.24 N ATOM 701 CA TYR A 87 -8.773 -1.131 6.539 1.00 0.22 C ATOM 702 C TYR A 87 -9.400 -2.059 5.522 1.00 0.22 C ATOM 703 O TYR A 87 -10.356 -2.776 5.828 1.00 0.26 O ATOM 704 CB TYR A 87 -8.050 -1.950 7.608 1.00 0.25 C ATOM 705 CG TYR A 87 -7.515 -1.123 8.745 1.00 0.29 C ATOM 706 CD1 TYR A 87 -6.933 0.104 8.504 1.00 0.27 C ATOM 707 CD2 TYR A 87 -7.587 -1.570 10.056 1.00 0.38 C ATOM 708 CE1 TYR A 87 -6.437 0.871 9.526 1.00 0.32 C ATOM 709 CE2 TYR A 87 -7.092 -0.806 11.092 1.00 0.43 C ATOM 710 CZ TYR A 87 -6.516 0.416 10.824 1.00 0.40 C ATOM 711 OH TYR A 87 -6.021 1.181 11.855 1.00 0.46 O ATOM 0 H TYR A 87 -10.314 -0.775 7.894 1.00 0.24 H new ATOM 0 HA TYR A 87 -8.042 -0.480 6.059 1.00 0.22 H new ATOM 0 HB2 TYR A 87 -8.736 -2.698 8.006 1.00 0.25 H new ATOM 0 HB3 TYR A 87 -7.225 -2.490 7.143 1.00 0.25 H new ATOM 0 HD1 TYR A 87 -6.867 0.468 7.489 1.00 0.27 H new ATOM 0 HD2 TYR A 87 -8.037 -2.529 10.268 1.00 0.38 H new ATOM 0 HE1 TYR A 87 -5.986 1.829 9.314 1.00 0.32 H new ATOM 0 HE2 TYR A 87 -7.156 -1.164 12.109 1.00 0.43 H new ATOM 0 HH TYR A 87 -6.158 0.713 12.705 1.00 0.46 H new ATOM 721 N HIS A 88 -8.855 -2.065 4.329 1.00 0.21 N ATOM 722 CA HIS A 88 -9.398 -2.868 3.263 1.00 0.25 C ATOM 723 C HIS A 88 -8.300 -3.742 2.680 1.00 0.26 C ATOM 724 O HIS A 88 -7.227 -3.253 2.325 1.00 0.28 O ATOM 725 CB HIS A 88 -10.015 -1.968 2.189 1.00 0.29 C ATOM 726 CG HIS A 88 -11.144 -2.613 1.450 1.00 0.35 C ATOM 727 ND1 HIS A 88 -12.296 -1.948 1.151 1.00 0.38 N ATOM 728 CD2 HIS A 88 -11.264 -3.878 0.974 1.00 0.43 C ATOM 729 CE1 HIS A 88 -13.095 -2.769 0.522 1.00 0.47 C ATOM 730 NE2 HIS A 88 -12.512 -3.974 0.384 1.00 0.51 N ATOM 0 H HIS A 88 -8.032 -1.520 4.073 1.00 0.21 H new ATOM 0 HA HIS A 88 -10.186 -3.513 3.653 1.00 0.25 H new ATOM 0 HB2 HIS A 88 -10.373 -1.051 2.656 1.00 0.29 H new ATOM 0 HB3 HIS A 88 -9.241 -1.682 1.477 1.00 0.29 H new ATOM 0 HD2 HIS A 88 -10.525 -4.662 1.043 1.00 0.43 H new ATOM 0 HE1 HIS A 88 -14.082 -2.516 0.164 1.00 0.47 H new ATOM 0 HE2 HIS A 88 -12.912 -4.797 -0.067 1.00 0.51 H new ATOM 738 N TYR A 89 -8.567 -5.033 2.613 1.00 0.28 N ATOM 739 CA TYR A 89 -7.580 -6.003 2.172 1.00 0.31 C ATOM 740 C TYR A 89 -7.713 -6.233 0.670 1.00 0.36 C ATOM 741 O TYR A 89 -8.808 -6.489 0.172 1.00 0.44 O ATOM 742 CB TYR A 89 -7.802 -7.313 2.926 1.00 0.45 C ATOM 743 CG TYR A 89 -6.576 -8.180 3.084 1.00 0.45 C ATOM 744 CD1 TYR A 89 -5.795 -8.525 1.997 1.00 0.45 C ATOM 745 CD2 TYR A 89 -6.220 -8.678 4.328 1.00 0.59 C ATOM 746 CE1 TYR A 89 -4.692 -9.331 2.136 1.00 0.50 C ATOM 747 CE2 TYR A 89 -5.113 -9.484 4.482 1.00 0.62 C ATOM 748 CZ TYR A 89 -4.351 -9.811 3.381 1.00 0.53 C ATOM 749 OH TYR A 89 -3.242 -10.612 3.532 1.00 0.60 O ATOM 0 H TYR A 89 -9.470 -5.438 2.861 1.00 0.28 H new ATOM 0 HA TYR A 89 -6.577 -5.629 2.378 1.00 0.31 H new ATOM 0 HB2 TYR A 89 -8.194 -7.082 3.917 1.00 0.45 H new ATOM 0 HB3 TYR A 89 -8.569 -7.887 2.406 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -6.058 -8.153 1.018 1.00 0.45 H new ATOM 0 HD2 TYR A 89 -6.820 -8.430 5.191 1.00 0.59 H new ATOM 0 HE1 TYR A 89 -4.095 -9.587 1.273 1.00 0.50 H new ATOM 0 HE2 TYR A 89 -4.844 -9.857 5.459 1.00 0.62 H new ATOM 0 HH TYR A 89 -2.574 -10.376 2.855 1.00 0.60 H new ATOM 759 N TYR A 90 -6.607 -6.128 -0.054 1.00 0.45 N ATOM 760 CA TYR A 90 -6.613 -6.364 -1.491 1.00 0.69 C ATOM 761 C TYR A 90 -5.612 -7.458 -1.833 1.00 0.55 C ATOM 762 O TYR A 90 -4.748 -7.795 -1.024 1.00 0.47 O ATOM 763 CB TYR A 90 -6.241 -5.112 -2.295 1.00 1.04 C ATOM 764 CG TYR A 90 -7.103 -3.879 -2.096 1.00 0.95 C ATOM 765 CD1 TYR A 90 -7.516 -3.522 -0.818 1.00 1.32 C ATOM 766 CD2 TYR A 90 -7.531 -3.099 -3.159 1.00 1.70 C ATOM 767 CE1 TYR A 90 -8.319 -2.421 -0.609 1.00 2.07 C ATOM 768 CE2 TYR A 90 -8.333 -1.998 -2.956 1.00 2.40 C ATOM 769 CZ TYR A 90 -8.634 -1.585 -1.781 1.00 2.47 C ATOM 770 OH TYR A 90 -9.526 -0.568 -1.484 1.00 3.42 O ATOM 0 H TYR A 90 -5.695 -5.881 0.330 1.00 0.45 H new ATOM 0 HA TYR A 90 -7.629 -6.655 -1.758 1.00 0.69 H new ATOM 0 HB2 TYR A 90 -5.212 -4.848 -2.052 1.00 1.04 H new ATOM 0 HB3 TYR A 90 -6.262 -5.372 -3.353 1.00 1.04 H new ATOM 0 HD1 TYR A 90 -7.202 -4.118 0.027 1.00 1.32 H new ATOM 0 HD2 TYR A 90 -7.230 -3.359 -4.163 1.00 1.70 H new ATOM 0 HE1 TYR A 90 -8.701 -2.181 0.372 1.00 2.07 H new ATOM 0 HE2 TYR A 90 -8.720 -1.467 -3.813 1.00 2.40 H new ATOM 0 HH TYR A 90 -9.359 0.196 -2.075 1.00 3.42 H new ATOM 780 N ASN A 91 -5.720 -8.001 -3.032 1.00 0.67 N ATOM 781 CA ASN A 91 -4.783 -9.011 -3.494 1.00 0.59 C ATOM 782 C ASN A 91 -4.055 -8.504 -4.731 1.00 0.49 C ATOM 783 O ASN A 91 -4.571 -7.647 -5.450 1.00 0.69 O ATOM 784 CB ASN A 91 -5.520 -10.315 -3.805 1.00 0.85 C ATOM 785 CG ASN A 91 -4.577 -11.472 -4.062 1.00 1.27 C ATOM 786 OD1 ASN A 91 -4.171 -11.719 -5.197 1.00 1.58 O ATOM 787 ND2 ASN A 91 -4.221 -12.194 -3.013 1.00 2.04 N ATOM 0 H ASN A 91 -6.448 -7.760 -3.705 1.00 0.67 H new ATOM 0 HA ASN A 91 -4.053 -9.209 -2.709 1.00 0.59 H new ATOM 0 HB2 ASN A 91 -6.176 -10.565 -2.971 1.00 0.85 H new ATOM 0 HB3 ASN A 91 -6.156 -10.169 -4.678 1.00 0.85 H new ATOM 0 HD21 ASN A 91 -3.589 -12.986 -3.130 1.00 2.04 H new ATOM 0 HD22 ASN A 91 -4.578 -11.959 -2.087 1.00 2.04 H new ATOM 794 N GLY A 92 -2.863 -9.023 -4.972 1.00 0.40 N ATOM 795 CA GLY A 92 -2.073 -8.580 -6.103 1.00 0.41 C ATOM 796 C GLY A 92 -1.034 -7.555 -5.702 1.00 0.33 C ATOM 797 O GLY A 92 -0.781 -7.351 -4.517 1.00 0.47 O ATOM 0 H GLY A 92 -2.425 -9.747 -4.402 1.00 0.40 H new ATOM 0 HA2 GLY A 92 -1.579 -9.438 -6.558 1.00 0.41 H new ATOM 0 HA3 GLY A 92 -2.731 -8.152 -6.860 1.00 0.41 H new ATOM 801 N LYS A 93 -0.431 -6.903 -6.679 1.00 0.40 N ATOM 802 CA LYS A 93 0.584 -5.900 -6.401 1.00 0.35 C ATOM 803 C LYS A 93 -0.063 -4.559 -6.095 1.00 0.35 C ATOM 804 O LYS A 93 -1.251 -4.352 -6.346 1.00 0.47 O ATOM 805 CB LYS A 93 1.533 -5.746 -7.587 1.00 0.36 C ATOM 806 CG LYS A 93 2.256 -7.018 -7.960 1.00 0.39 C ATOM 807 CD LYS A 93 3.133 -7.519 -6.829 1.00 0.63 C ATOM 808 CE LYS A 93 4.085 -8.588 -7.322 1.00 1.42 C ATOM 809 NZ LYS A 93 4.575 -9.472 -6.231 1.00 2.03 N ATOM 0 H LYS A 93 -0.625 -7.048 -7.670 1.00 0.40 H new ATOM 0 HA LYS A 93 1.153 -6.232 -5.533 1.00 0.35 H new ATOM 0 HB2 LYS A 93 0.967 -5.395 -8.450 1.00 0.36 H new ATOM 0 HB3 LYS A 93 2.269 -4.976 -7.354 1.00 0.36 H new ATOM 0 HG2 LYS A 93 1.529 -7.786 -8.223 1.00 0.39 H new ATOM 0 HG3 LYS A 93 2.868 -6.842 -8.844 1.00 0.39 H new ATOM 0 HD2 LYS A 93 3.698 -6.689 -6.406 1.00 0.63 H new ATOM 0 HD3 LYS A 93 2.510 -7.921 -6.030 1.00 0.63 H new ATOM 0 HE2 LYS A 93 3.584 -9.194 -8.077 1.00 1.42 H new ATOM 0 HE3 LYS A 93 4.937 -8.113 -7.809 1.00 1.42 H new ATOM 0 HZ1 LYS A 93 5.564 -9.236 -6.011 1.00 2.03 H new ATOM 0 HZ2 LYS A 93 3.989 -9.334 -5.383 1.00 2.03 H new ATOM 0 HZ3 LYS A 93 4.515 -10.465 -6.535 1.00 2.03 H new ATOM 823 N VAL A 94 0.734 -3.657 -5.556 1.00 0.31 N ATOM 824 CA VAL A 94 0.290 -2.300 -5.294 1.00 0.29 C ATOM 825 C VAL A 94 0.274 -1.522 -6.602 1.00 0.28 C ATOM 826 O VAL A 94 1.239 -1.583 -7.361 1.00 0.30 O ATOM 827 CB VAL A 94 1.231 -1.589 -4.294 1.00 0.29 C ATOM 828 CG1 VAL A 94 0.665 -0.240 -3.883 1.00 0.32 C ATOM 829 CG2 VAL A 94 1.484 -2.459 -3.072 1.00 0.41 C ATOM 0 H VAL A 94 1.701 -3.841 -5.289 1.00 0.31 H new ATOM 0 HA VAL A 94 -0.709 -2.340 -4.860 1.00 0.29 H new ATOM 0 HB VAL A 94 2.185 -1.420 -4.794 1.00 0.29 H new ATOM 0 HG11 VAL A 94 1.345 0.241 -3.179 1.00 0.32 H new ATOM 0 HG12 VAL A 94 0.550 0.390 -4.765 1.00 0.32 H new ATOM 0 HG13 VAL A 94 -0.306 -0.382 -3.410 1.00 0.32 H new ATOM 0 HG21 VAL A 94 2.149 -1.936 -2.384 1.00 0.41 H new ATOM 0 HG22 VAL A 94 0.538 -2.669 -2.573 1.00 0.41 H new ATOM 0 HG23 VAL A 94 1.947 -3.396 -3.382 1.00 0.41 H new ATOM 839 N PRO A 95 -0.814 -0.804 -6.910 1.00 0.27 N ATOM 840 CA PRO A 95 -0.882 -0.007 -8.124 1.00 0.28 C ATOM 841 C PRO A 95 0.044 1.191 -8.038 1.00 0.25 C ATOM 842 O PRO A 95 0.337 1.700 -6.955 1.00 0.27 O ATOM 843 CB PRO A 95 -2.338 0.434 -8.204 1.00 0.33 C ATOM 844 CG PRO A 95 -2.845 0.367 -6.813 1.00 0.33 C ATOM 845 CD PRO A 95 -2.043 -0.698 -6.105 1.00 0.30 C ATOM 0 HA PRO A 95 -0.568 -0.565 -9.006 1.00 0.28 H new ATOM 0 HB2 PRO A 95 -2.421 1.444 -8.605 1.00 0.33 H new ATOM 0 HB3 PRO A 95 -2.911 -0.218 -8.863 1.00 0.33 H new ATOM 0 HG2 PRO A 95 -2.733 1.330 -6.314 1.00 0.33 H new ATOM 0 HG3 PRO A 95 -3.907 0.123 -6.800 1.00 0.33 H new ATOM 0 HD2 PRO A 95 -1.824 -0.416 -5.075 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -2.580 -1.646 -6.068 1.00 0.30 H new ATOM 853 N TYR A 96 0.490 1.626 -9.202 1.00 0.26 N ATOM 854 CA TYR A 96 1.540 2.628 -9.328 1.00 0.27 C ATOM 855 C TYR A 96 1.141 3.934 -8.649 1.00 0.26 C ATOM 856 O TYR A 96 1.990 4.667 -8.158 1.00 0.30 O ATOM 857 CB TYR A 96 1.831 2.870 -10.815 1.00 0.33 C ATOM 858 CG TYR A 96 3.200 3.453 -11.105 1.00 0.38 C ATOM 859 CD1 TYR A 96 3.578 4.684 -10.591 1.00 0.30 C ATOM 860 CD2 TYR A 96 4.111 2.774 -11.904 1.00 0.61 C ATOM 861 CE1 TYR A 96 4.815 5.222 -10.857 1.00 0.35 C ATOM 862 CE2 TYR A 96 5.357 3.307 -12.175 1.00 0.68 C ATOM 863 CZ TYR A 96 5.704 4.532 -11.649 1.00 0.51 C ATOM 864 OH TYR A 96 6.945 5.069 -11.915 1.00 0.59 O ATOM 0 H TYR A 96 0.132 1.292 -10.097 1.00 0.26 H new ATOM 0 HA TYR A 96 2.438 2.258 -8.833 1.00 0.27 H new ATOM 0 HB2 TYR A 96 1.733 1.925 -11.349 1.00 0.33 H new ATOM 0 HB3 TYR A 96 1.072 3.543 -11.215 1.00 0.33 H new ATOM 0 HD1 TYR A 96 2.886 5.232 -9.968 1.00 0.30 H new ATOM 0 HD2 TYR A 96 3.841 1.814 -12.320 1.00 0.61 H new ATOM 0 HE1 TYR A 96 5.088 6.183 -10.446 1.00 0.35 H new ATOM 0 HE2 TYR A 96 6.055 2.766 -12.796 1.00 0.68 H new ATOM 0 HH TYR A 96 7.451 4.456 -12.488 1.00 0.59 H new ATOM 874 N ASP A 97 -0.149 4.215 -8.608 1.00 0.28 N ATOM 875 CA ASP A 97 -0.625 5.476 -8.056 1.00 0.33 C ATOM 876 C ASP A 97 -1.226 5.296 -6.660 1.00 0.32 C ATOM 877 O ASP A 97 -1.879 6.205 -6.145 1.00 0.38 O ATOM 878 CB ASP A 97 -1.662 6.107 -8.987 1.00 0.43 C ATOM 879 CG ASP A 97 -2.940 5.300 -9.067 1.00 1.07 C ATOM 880 OD1 ASP A 97 -2.927 4.222 -9.699 1.00 1.82 O ATOM 881 OD2 ASP A 97 -3.962 5.740 -8.500 1.00 1.07 O ATOM 0 H ASP A 97 -0.883 3.594 -8.947 1.00 0.28 H new ATOM 0 HA ASP A 97 0.237 6.138 -7.969 1.00 0.33 H new ATOM 0 HB2 ASP A 97 -1.893 7.113 -8.638 1.00 0.43 H new ATOM 0 HB3 ASP A 97 -1.236 6.206 -9.985 1.00 0.43 H new ATOM 886 N ALA A 98 -1.008 4.135 -6.047 1.00 0.27 N ATOM 887 CA ALA A 98 -1.484 3.897 -4.683 1.00 0.27 C ATOM 888 C ALA A 98 -0.704 4.736 -3.686 1.00 0.26 C ATOM 889 O ALA A 98 0.383 5.227 -3.987 1.00 0.40 O ATOM 890 CB ALA A 98 -1.371 2.430 -4.316 1.00 0.30 C ATOM 0 H ALA A 98 -0.510 3.350 -6.467 1.00 0.27 H new ATOM 0 HA ALA A 98 -2.534 4.187 -4.645 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -1.731 2.281 -3.298 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -1.972 1.835 -5.004 1.00 0.30 H new ATOM 0 HB3 ALA A 98 -0.329 2.118 -4.382 1.00 0.30 H new ATOM 896 N ILE A 99 -1.278 4.906 -2.508 1.00 0.18 N ATOM 897 CA ILE A 99 -0.661 5.662 -1.434 1.00 0.17 C ATOM 898 C ILE A 99 -0.165 4.703 -0.349 1.00 0.16 C ATOM 899 O ILE A 99 -0.787 3.675 -0.106 1.00 0.16 O ATOM 900 CB ILE A 99 -1.684 6.643 -0.839 1.00 0.21 C ATOM 901 CG1 ILE A 99 -2.314 7.479 -1.952 1.00 0.21 C ATOM 902 CG2 ILE A 99 -1.044 7.537 0.203 1.00 0.26 C ATOM 903 CD1 ILE A 99 -1.322 8.270 -2.777 1.00 0.29 C ATOM 0 H ILE A 99 -2.192 4.520 -2.269 1.00 0.18 H new ATOM 0 HA ILE A 99 0.186 6.225 -1.827 1.00 0.17 H new ATOM 0 HB ILE A 99 -2.465 6.066 -0.345 1.00 0.21 H new ATOM 0 HG12 ILE A 99 -2.873 6.818 -2.614 1.00 0.21 H new ATOM 0 HG13 ILE A 99 -3.032 8.169 -1.509 1.00 0.21 H new ATOM 0 HG21 ILE A 99 -1.792 8.220 0.606 1.00 0.26 H new ATOM 0 HG22 ILE A 99 -0.640 6.925 1.009 1.00 0.26 H new ATOM 0 HG23 ILE A 99 -0.238 8.111 -0.255 1.00 0.26 H new ATOM 0 HD11 ILE A 99 -1.854 8.834 -3.543 1.00 0.29 H new ATOM 0 HD12 ILE A 99 -0.779 8.959 -2.130 1.00 0.29 H new ATOM 0 HD13 ILE A 99 -0.618 7.587 -3.252 1.00 0.29 H new ATOM 915 N ILE A 100 0.961 5.011 0.277 1.00 0.17 N ATOM 916 CA ILE A 100 1.542 4.123 1.278 1.00 0.18 C ATOM 917 C ILE A 100 1.591 4.778 2.661 1.00 0.18 C ATOM 918 O ILE A 100 1.676 6.002 2.787 1.00 0.20 O ATOM 919 CB ILE A 100 2.974 3.713 0.874 1.00 0.20 C ATOM 920 CG1 ILE A 100 2.989 3.133 -0.542 1.00 0.21 C ATOM 921 CG2 ILE A 100 3.542 2.707 1.865 1.00 0.22 C ATOM 922 CD1 ILE A 100 2.317 1.780 -0.664 1.00 0.23 C ATOM 0 H ILE A 100 1.491 5.867 0.112 1.00 0.17 H new ATOM 0 HA ILE A 100 0.901 3.243 1.329 1.00 0.18 H new ATOM 0 HB ILE A 100 3.601 4.604 0.888 1.00 0.20 H new ATOM 0 HG12 ILE A 100 2.495 3.834 -1.215 1.00 0.21 H new ATOM 0 HG13 ILE A 100 4.023 3.045 -0.876 1.00 0.21 H new ATOM 0 HG21 ILE A 100 4.552 2.430 1.564 1.00 0.22 H new ATOM 0 HG22 ILE A 100 3.569 3.152 2.860 1.00 0.22 H new ATOM 0 HG23 ILE A 100 2.912 1.818 1.882 1.00 0.22 H new ATOM 0 HD11 ILE A 100 2.371 1.439 -1.698 1.00 0.23 H new ATOM 0 HD12 ILE A 100 2.824 1.063 -0.019 1.00 0.23 H new ATOM 0 HD13 ILE A 100 1.273 1.864 -0.363 1.00 0.23 H new ATOM 934 N SER A 101 1.516 3.941 3.691 1.00 0.20 N ATOM 935 CA SER A 101 1.732 4.367 5.063 1.00 0.20 C ATOM 936 C SER A 101 3.219 4.596 5.313 1.00 0.20 C ATOM 937 O SER A 101 4.072 3.845 4.828 1.00 0.23 O ATOM 938 CB SER A 101 1.203 3.303 6.028 1.00 0.22 C ATOM 939 OG SER A 101 1.609 3.567 7.363 1.00 0.89 O ATOM 0 H SER A 101 1.303 2.948 3.594 1.00 0.20 H new ATOM 0 HA SER A 101 1.196 5.301 5.230 1.00 0.20 H new ATOM 0 HB2 SER A 101 0.115 3.272 5.976 1.00 0.22 H new ATOM 0 HB3 SER A 101 1.565 2.321 5.723 1.00 0.22 H new ATOM 0 HG SER A 101 1.344 2.820 7.939 1.00 0.89 H new ATOM 945 N GLU A 102 3.514 5.634 6.088 1.00 0.20 N ATOM 946 CA GLU A 102 4.885 6.004 6.412 1.00 0.21 C ATOM 947 C GLU A 102 5.599 4.880 7.157 1.00 0.24 C ATOM 948 O GLU A 102 6.825 4.785 7.126 1.00 0.29 O ATOM 949 CB GLU A 102 4.895 7.263 7.275 1.00 0.25 C ATOM 950 CG GLU A 102 4.321 7.023 8.660 1.00 0.31 C ATOM 951 CD GLU A 102 4.743 8.061 9.673 1.00 0.94 C ATOM 952 OE1 GLU A 102 5.879 8.563 9.569 1.00 1.22 O ATOM 953 OE2 GLU A 102 3.944 8.389 10.575 1.00 1.71 O ATOM 0 H GLU A 102 2.810 6.241 6.508 1.00 0.20 H new ATOM 0 HA GLU A 102 5.411 6.191 5.476 1.00 0.21 H new ATOM 0 HB2 GLU A 102 5.918 7.628 7.367 1.00 0.25 H new ATOM 0 HB3 GLU A 102 4.321 8.045 6.778 1.00 0.25 H new ATOM 0 HG2 GLU A 102 3.233 7.009 8.597 1.00 0.31 H new ATOM 0 HG3 GLU A 102 4.632 6.038 9.009 1.00 0.31 H new ATOM 960 N GLU A 103 4.815 4.041 7.830 1.00 0.27 N ATOM 961 CA GLU A 103 5.344 2.916 8.596 1.00 0.34 C ATOM 962 C GLU A 103 6.201 2.007 7.723 1.00 0.31 C ATOM 963 O GLU A 103 7.229 1.487 8.157 1.00 0.41 O ATOM 964 CB GLU A 103 4.196 2.095 9.174 1.00 0.43 C ATOM 965 CG GLU A 103 3.385 2.801 10.239 1.00 0.67 C ATOM 966 CD GLU A 103 2.117 2.044 10.585 1.00 1.15 C ATOM 967 OE1 GLU A 103 1.239 1.907 9.703 1.00 1.42 O ATOM 968 OE2 GLU A 103 1.989 1.585 11.740 1.00 1.48 O ATOM 0 H GLU A 103 3.799 4.122 7.860 1.00 0.27 H new ATOM 0 HA GLU A 103 5.961 3.322 9.398 1.00 0.34 H new ATOM 0 HB2 GLU A 103 3.529 1.806 8.361 1.00 0.43 H new ATOM 0 HB3 GLU A 103 4.602 1.176 9.596 1.00 0.43 H new ATOM 0 HG2 GLU A 103 3.992 2.921 11.137 1.00 0.67 H new ATOM 0 HG3 GLU A 103 3.126 3.802 9.893 1.00 0.67 H new ATOM 975 N LEU A 104 5.777 1.846 6.483 1.00 0.23 N ATOM 976 CA LEU A 104 6.374 0.870 5.587 1.00 0.25 C ATOM 977 C LEU A 104 7.539 1.451 4.800 1.00 0.27 C ATOM 978 O LEU A 104 8.167 0.746 4.016 1.00 0.29 O ATOM 979 CB LEU A 104 5.312 0.350 4.625 1.00 0.27 C ATOM 980 CG LEU A 104 4.152 -0.383 5.287 1.00 0.28 C ATOM 981 CD1 LEU A 104 3.037 -0.604 4.288 1.00 0.33 C ATOM 982 CD2 LEU A 104 4.623 -1.706 5.860 1.00 0.30 C ATOM 0 H LEU A 104 5.015 2.383 6.070 1.00 0.23 H new ATOM 0 HA LEU A 104 6.765 0.055 6.196 1.00 0.25 H new ATOM 0 HB2 LEU A 104 4.915 1.191 4.056 1.00 0.27 H new ATOM 0 HB3 LEU A 104 5.787 -0.322 3.910 1.00 0.27 H new ATOM 0 HG LEU A 104 3.770 0.229 6.104 1.00 0.28 H new ATOM 0 HD11 LEU A 104 2.213 -1.129 4.772 1.00 0.33 H new ATOM 0 HD12 LEU A 104 2.686 0.358 3.916 1.00 0.33 H new ATOM 0 HD13 LEU A 104 3.408 -1.201 3.455 1.00 0.33 H new ATOM 0 HD21 LEU A 104 3.784 -2.219 6.330 1.00 0.30 H new ATOM 0 HD22 LEU A 104 5.025 -2.327 5.059 1.00 0.30 H new ATOM 0 HD23 LEU A 104 5.399 -1.525 6.603 1.00 0.30 H new ATOM 994 N LEU A 105 7.838 2.726 5.012 1.00 0.43 N ATOM 995 CA LEU A 105 8.897 3.384 4.273 1.00 0.54 C ATOM 996 C LEU A 105 10.239 2.702 4.458 1.00 0.46 C ATOM 997 O LEU A 105 10.542 2.160 5.523 1.00 0.53 O ATOM 998 CB LEU A 105 9.010 4.842 4.685 1.00 0.88 C ATOM 999 CG LEU A 105 8.012 5.771 4.018 1.00 0.30 C ATOM 1000 CD1 LEU A 105 8.277 7.206 4.431 1.00 1.01 C ATOM 1001 CD2 LEU A 105 8.116 5.622 2.515 1.00 1.09 C ATOM 0 H LEU A 105 7.361 3.321 5.689 1.00 0.43 H new ATOM 0 HA LEU A 105 8.630 3.319 3.218 1.00 0.54 H new ATOM 0 HB2 LEU A 105 8.883 4.911 5.765 1.00 0.88 H new ATOM 0 HB3 LEU A 105 10.017 5.192 4.460 1.00 0.88 H new ATOM 0 HG LEU A 105 7.002 5.507 4.333 1.00 0.30 H new ATOM 0 HD11 LEU A 105 7.555 7.863 3.946 1.00 1.01 H new ATOM 0 HD12 LEU A 105 8.181 7.297 5.513 1.00 1.01 H new ATOM 0 HD13 LEU A 105 9.285 7.491 4.131 1.00 1.01 H new ATOM 0 HD21 LEU A 105 7.400 6.288 2.033 1.00 1.09 H new ATOM 0 HD22 LEU A 105 9.125 5.879 2.193 1.00 1.09 H new ATOM 0 HD23 LEU A 105 7.898 4.591 2.236 1.00 1.09 H new ATOM 1013 N MET A 106 11.021 2.721 3.398 1.00 0.41 N ATOM 1014 CA MET A 106 12.373 2.213 3.426 1.00 0.45 C ATOM 1015 C MET A 106 13.369 3.355 3.438 1.00 0.92 C ATOM 1016 O MET A 106 13.467 4.118 2.474 1.00 1.28 O ATOM 1017 CB MET A 106 12.648 1.319 2.214 1.00 0.27 C ATOM 1018 CG MET A 106 14.126 1.004 2.030 1.00 0.30 C ATOM 1019 SD MET A 106 14.831 0.141 3.445 1.00 1.05 S ATOM 1020 CE MET A 106 14.908 -1.527 2.811 1.00 0.50 C ATOM 0 H MET A 106 10.734 3.091 2.492 1.00 0.41 H new ATOM 0 HA MET A 106 12.485 1.623 4.335 1.00 0.45 H new ATOM 0 HB2 MET A 106 12.094 0.387 2.324 1.00 0.27 H new ATOM 0 HB3 MET A 106 12.272 1.809 1.316 1.00 0.27 H new ATOM 0 HG2 MET A 106 14.255 0.394 1.136 1.00 0.30 H new ATOM 0 HG3 MET A 106 14.674 1.932 1.865 1.00 0.30 H new ATOM 0 HE1 MET A 106 14.522 -2.219 3.560 1.00 0.50 H new ATOM 0 HE2 MET A 106 14.306 -1.600 1.905 1.00 0.50 H new ATOM 0 HE3 MET A 106 15.943 -1.781 2.581 1.00 0.50 H new ATOM 1092 N TYR A 111 21.384 0.432 2.584 1.00 0.95 N ATOM 1093 CA TYR A 111 20.591 -0.150 1.504 1.00 0.70 C ATOM 1094 C TYR A 111 20.290 0.854 0.397 1.00 0.60 C ATOM 1095 O TYR A 111 19.875 1.988 0.655 1.00 0.80 O ATOM 1096 CB TYR A 111 19.263 -0.706 2.022 1.00 0.70 C ATOM 1097 CG TYR A 111 18.447 -1.403 0.965 1.00 0.76 C ATOM 1098 CD1 TYR A 111 18.740 -2.698 0.564 1.00 0.94 C ATOM 1099 CD2 TYR A 111 17.379 -0.759 0.376 1.00 0.89 C ATOM 1100 CE1 TYR A 111 17.984 -3.330 -0.403 1.00 1.18 C ATOM 1101 CE2 TYR A 111 16.613 -1.381 -0.590 1.00 1.12 C ATOM 1102 CZ TYR A 111 16.921 -2.667 -0.976 1.00 1.23 C ATOM 1103 OH TYR A 111 16.168 -3.293 -1.941 1.00 1.57 O ATOM 0 HA TYR A 111 21.199 -0.957 1.095 1.00 0.70 H new ATOM 0 HB2 TYR A 111 19.464 -1.405 2.834 1.00 0.70 H new ATOM 0 HB3 TYR A 111 18.676 0.111 2.442 1.00 0.70 H new ATOM 0 HD1 TYR A 111 19.571 -3.219 1.015 1.00 0.94 H new ATOM 0 HD2 TYR A 111 17.137 0.250 0.676 1.00 0.89 H new ATOM 0 HE1 TYR A 111 18.224 -4.338 -0.708 1.00 1.18 H new ATOM 0 HE2 TYR A 111 15.779 -0.863 -1.040 1.00 1.12 H new ATOM 0 HH TYR A 111 16.235 -4.264 -1.829 1.00 1.57 H new ATOM 1113 N GLN A 112 20.506 0.413 -0.830 1.00 0.53 N ATOM 1114 CA GLN A 112 20.043 1.097 -2.001 1.00 0.55 C ATOM 1115 C GLN A 112 19.052 0.210 -2.731 1.00 0.45 C ATOM 1116 O GLN A 112 19.137 -1.015 -2.658 1.00 0.47 O ATOM 1117 CB GLN A 112 21.226 1.448 -2.883 1.00 0.70 C ATOM 1118 CG GLN A 112 20.832 1.740 -4.294 1.00 1.30 C ATOM 1119 CD GLN A 112 21.978 2.228 -5.156 1.00 1.42 C ATOM 1120 OE1 GLN A 112 22.228 3.429 -5.252 1.00 1.64 O ATOM 1121 NE2 GLN A 112 22.685 1.299 -5.784 1.00 2.05 N ATOM 0 H GLN A 112 21.018 -0.446 -1.032 1.00 0.53 H new ATOM 0 HA GLN A 112 19.541 2.025 -1.727 1.00 0.55 H new ATOM 0 HB2 GLN A 112 21.738 2.316 -2.467 1.00 0.70 H new ATOM 0 HB3 GLN A 112 21.938 0.623 -2.873 1.00 0.70 H new ATOM 0 HG2 GLN A 112 20.412 0.838 -4.739 1.00 1.30 H new ATOM 0 HG3 GLN A 112 20.043 2.492 -4.294 1.00 1.30 H new ATOM 0 HE21 GLN A 112 22.443 0.314 -5.676 1.00 2.05 H new ATOM 0 HE22 GLN A 112 23.471 1.569 -6.375 1.00 2.05 H new ATOM 1130 N LEU A 113 18.115 0.849 -3.418 1.00 0.40 N ATOM 1131 CA LEU A 113 16.999 0.168 -4.061 1.00 0.33 C ATOM 1132 C LEU A 113 17.462 -0.980 -4.962 1.00 0.36 C ATOM 1133 O LEU A 113 18.035 -0.754 -6.031 1.00 0.43 O ATOM 1134 CB LEU A 113 16.198 1.181 -4.875 1.00 0.32 C ATOM 1135 CG LEU A 113 15.018 0.603 -5.652 1.00 0.30 C ATOM 1136 CD1 LEU A 113 13.933 0.135 -4.698 1.00 0.25 C ATOM 1137 CD2 LEU A 113 14.475 1.632 -6.625 1.00 0.35 C ATOM 0 H LEU A 113 18.108 1.861 -3.546 1.00 0.40 H new ATOM 0 HA LEU A 113 16.376 -0.269 -3.281 1.00 0.33 H new ATOM 0 HB2 LEU A 113 15.826 1.952 -4.201 1.00 0.32 H new ATOM 0 HB3 LEU A 113 16.871 1.671 -5.579 1.00 0.32 H new ATOM 0 HG LEU A 113 15.363 -0.259 -6.223 1.00 0.30 H new ATOM 0 HD11 LEU A 113 13.099 -0.274 -5.268 1.00 0.25 H new ATOM 0 HD12 LEU A 113 14.335 -0.635 -4.039 1.00 0.25 H new ATOM 0 HD13 LEU A 113 13.585 0.978 -4.101 1.00 0.25 H new ATOM 0 HD21 LEU A 113 13.634 1.207 -7.173 1.00 0.35 H new ATOM 0 HD22 LEU A 113 14.142 2.512 -6.075 1.00 0.35 H new ATOM 0 HD23 LEU A 113 15.258 1.917 -7.327 1.00 0.35 H new ATOM 1149 N LYS A 114 17.195 -2.208 -4.525 1.00 0.40 N ATOM 1150 CA LYS A 114 17.604 -3.399 -5.263 1.00 0.47 C ATOM 1151 C LYS A 114 16.538 -3.815 -6.254 1.00 0.37 C ATOM 1152 O LYS A 114 15.375 -3.991 -5.894 1.00 0.33 O ATOM 1153 CB LYS A 114 17.872 -4.558 -4.307 1.00 0.63 C ATOM 1154 CG LYS A 114 19.304 -5.056 -4.322 1.00 0.90 C ATOM 1155 CD LYS A 114 20.301 -3.911 -4.343 1.00 1.14 C ATOM 1156 CE LYS A 114 21.734 -4.415 -4.282 1.00 1.51 C ATOM 1157 NZ LYS A 114 22.077 -5.275 -5.445 1.00 2.09 N ATOM 0 H LYS A 114 16.694 -2.404 -3.658 1.00 0.40 H new ATOM 0 HA LYS A 114 18.518 -3.152 -5.803 1.00 0.47 H new ATOM 0 HB2 LYS A 114 17.618 -4.245 -3.294 1.00 0.63 H new ATOM 0 HB3 LYS A 114 17.209 -5.385 -4.561 1.00 0.63 H new ATOM 0 HG2 LYS A 114 19.482 -5.676 -3.444 1.00 0.90 H new ATOM 0 HG3 LYS A 114 19.459 -5.689 -5.196 1.00 0.90 H new ATOM 0 HD2 LYS A 114 20.160 -3.322 -5.249 1.00 1.14 H new ATOM 0 HD3 LYS A 114 20.112 -3.248 -3.499 1.00 1.14 H new ATOM 0 HE2 LYS A 114 22.415 -3.565 -4.248 1.00 1.51 H new ATOM 0 HE3 LYS A 114 21.880 -4.978 -3.360 1.00 1.51 H new ATOM 0 HZ1 LYS A 114 23.099 -5.470 -5.443 1.00 2.09 H new ATOM 0 HZ2 LYS A 114 21.553 -6.171 -5.381 1.00 2.09 H new ATOM 0 HZ3 LYS A 114 21.820 -4.786 -6.326 1.00 2.09 H new ATOM 1171 N ASP A 115 16.957 -4.000 -7.496 1.00 0.40 N ATOM 1172 CA ASP A 115 16.062 -4.411 -8.571 1.00 0.41 C ATOM 1173 C ASP A 115 15.472 -5.784 -8.297 1.00 0.38 C ATOM 1174 O ASP A 115 14.373 -6.101 -8.756 1.00 0.42 O ATOM 1175 CB ASP A 115 16.807 -4.428 -9.904 1.00 0.53 C ATOM 1176 CG ASP A 115 16.980 -3.048 -10.497 1.00 1.12 C ATOM 1177 OD1 ASP A 115 17.989 -2.383 -10.182 1.00 1.88 O ATOM 1178 OD2 ASP A 115 16.107 -2.616 -11.283 1.00 1.11 O ATOM 0 H ASP A 115 17.925 -3.870 -7.789 1.00 0.40 H new ATOM 0 HA ASP A 115 15.248 -3.688 -8.622 1.00 0.41 H new ATOM 0 HB2 ASP A 115 17.787 -4.882 -9.761 1.00 0.53 H new ATOM 0 HB3 ASP A 115 16.264 -5.056 -10.610 1.00 0.53 H new ATOM 1183 N SER A 116 16.205 -6.590 -7.545 1.00 0.38 N ATOM 1184 CA SER A 116 15.779 -7.941 -7.230 1.00 0.44 C ATOM 1185 C SER A 116 14.862 -7.961 -6.003 1.00 0.40 C ATOM 1186 O SER A 116 14.144 -8.935 -5.774 1.00 0.51 O ATOM 1187 CB SER A 116 17.007 -8.825 -6.996 1.00 0.54 C ATOM 1188 OG SER A 116 16.662 -10.199 -6.990 1.00 0.92 O ATOM 0 H SER A 116 17.104 -6.328 -7.140 1.00 0.38 H new ATOM 0 HA SER A 116 15.210 -8.331 -8.074 1.00 0.44 H new ATOM 0 HB2 SER A 116 17.746 -8.637 -7.775 1.00 0.54 H new ATOM 0 HB3 SER A 116 17.471 -8.561 -6.046 1.00 0.54 H new ATOM 0 HG SER A 116 17.467 -10.738 -6.840 1.00 0.92 H new ATOM 1194 N ASP A 117 14.875 -6.884 -5.218 1.00 0.28 N ATOM 1195 CA ASP A 117 14.035 -6.814 -4.023 1.00 0.28 C ATOM 1196 C ASP A 117 12.676 -6.240 -4.373 1.00 0.22 C ATOM 1197 O ASP A 117 11.686 -6.475 -3.681 1.00 0.24 O ATOM 1198 CB ASP A 117 14.679 -5.948 -2.940 1.00 0.34 C ATOM 1199 CG ASP A 117 15.912 -6.576 -2.325 1.00 1.08 C ATOM 1200 OD1 ASP A 117 16.296 -7.679 -2.766 1.00 1.90 O ATOM 1201 OD2 ASP A 117 16.500 -5.987 -1.396 1.00 1.04 O ATOM 0 H ASP A 117 15.450 -6.058 -5.385 1.00 0.28 H new ATOM 0 HA ASP A 117 13.923 -7.828 -3.639 1.00 0.28 H new ATOM 0 HB2 ASP A 117 14.947 -4.982 -3.369 1.00 0.34 H new ATOM 0 HB3 ASP A 117 13.947 -5.756 -2.155 1.00 0.34 H new ATOM 1206 N ILE A 118 12.651 -5.481 -5.453 1.00 0.23 N ATOM 1207 CA ILE A 118 11.446 -4.816 -5.921 1.00 0.22 C ATOM 1208 C ILE A 118 10.295 -5.795 -6.135 1.00 0.26 C ATOM 1209 O ILE A 118 10.357 -6.677 -6.994 1.00 0.34 O ATOM 1210 CB ILE A 118 11.731 -4.067 -7.235 1.00 0.26 C ATOM 1211 CG1 ILE A 118 12.760 -2.966 -6.992 1.00 0.26 C ATOM 1212 CG2 ILE A 118 10.451 -3.485 -7.819 1.00 0.31 C ATOM 1213 CD1 ILE A 118 13.366 -2.413 -8.261 1.00 0.32 C ATOM 0 H ILE A 118 13.471 -5.307 -6.035 1.00 0.23 H new ATOM 0 HA ILE A 118 11.146 -4.110 -5.146 1.00 0.22 H new ATOM 0 HB ILE A 118 12.135 -4.776 -7.958 1.00 0.26 H new ATOM 0 HG12 ILE A 118 12.287 -2.153 -6.441 1.00 0.26 H new ATOM 0 HG13 ILE A 118 13.557 -3.358 -6.360 1.00 0.26 H new ATOM 0 HG21 ILE A 118 10.680 -2.961 -8.747 1.00 0.31 H new ATOM 0 HG22 ILE A 118 9.745 -4.290 -8.022 1.00 0.31 H new ATOM 0 HG23 ILE A 118 10.011 -2.787 -7.107 1.00 0.31 H new ATOM 0 HD11 ILE A 118 14.088 -1.635 -8.011 1.00 0.32 H new ATOM 0 HD12 ILE A 118 13.869 -3.214 -8.803 1.00 0.32 H new ATOM 0 HD13 ILE A 118 12.579 -1.990 -8.886 1.00 0.32 H new ATOM 1225 N VAL A 119 9.258 -5.640 -5.324 1.00 0.24 N ATOM 1226 CA VAL A 119 8.016 -6.363 -5.514 1.00 0.31 C ATOM 1227 C VAL A 119 7.245 -5.704 -6.647 1.00 0.27 C ATOM 1228 O VAL A 119 6.661 -6.369 -7.505 1.00 0.31 O ATOM 1229 CB VAL A 119 7.159 -6.348 -4.233 1.00 0.36 C ATOM 1230 CG1 VAL A 119 5.827 -7.035 -4.463 1.00 0.47 C ATOM 1231 CG2 VAL A 119 7.910 -7.004 -3.096 1.00 0.38 C ATOM 0 H VAL A 119 9.257 -5.012 -4.520 1.00 0.24 H new ATOM 0 HA VAL A 119 8.243 -7.402 -5.753 1.00 0.31 H new ATOM 0 HB VAL A 119 6.958 -5.311 -3.966 1.00 0.36 H new ATOM 0 HG11 VAL A 119 5.242 -7.011 -3.544 1.00 0.47 H new ATOM 0 HG12 VAL A 119 5.283 -6.518 -5.254 1.00 0.47 H new ATOM 0 HG13 VAL A 119 5.998 -8.071 -4.757 1.00 0.47 H new ATOM 0 HG21 VAL A 119 7.295 -6.988 -2.196 1.00 0.38 H new ATOM 0 HG22 VAL A 119 8.140 -8.036 -3.360 1.00 0.38 H new ATOM 0 HG23 VAL A 119 8.837 -6.461 -2.911 1.00 0.38 H new ATOM 1241 N ASN A 120 7.279 -4.378 -6.635 1.00 0.25 N ATOM 1242 CA ASN A 120 6.618 -3.554 -7.642 1.00 0.24 C ATOM 1243 C ASN A 120 7.076 -2.102 -7.491 1.00 0.23 C ATOM 1244 O ASN A 120 7.712 -1.746 -6.500 1.00 0.26 O ATOM 1245 CB ASN A 120 5.095 -3.676 -7.487 1.00 0.31 C ATOM 1246 CG ASN A 120 4.312 -2.820 -8.456 1.00 0.54 C ATOM 1247 OD1 ASN A 120 3.917 -1.646 -8.001 1.00 1.17 O flip ATOM 1248 ND2 ASN A 120 4.044 -3.219 -9.587 1.00 0.36 N flip ATOM 0 H ASN A 120 7.769 -3.839 -5.921 1.00 0.25 H new ATOM 0 HA ASN A 120 6.887 -3.897 -8.641 1.00 0.24 H new ATOM 0 HB2 ASN A 120 4.808 -4.719 -7.624 1.00 0.31 H new ATOM 0 HB3 ASN A 120 4.820 -3.400 -6.469 1.00 0.31 H new ATOM 0 HD21 ASN A 120 4.371 -4.135 -9.896 1.00 0.36 H new ATOM 0 HD22 ASN A 120 3.495 -2.635 -10.217 1.00 0.36 H new ATOM 1255 N GLU A 121 6.770 -1.275 -8.471 1.00 0.24 N ATOM 1256 CA GLU A 121 7.136 0.132 -8.429 1.00 0.25 C ATOM 1257 C GLU A 121 5.894 1.006 -8.360 1.00 0.25 C ATOM 1258 O GLU A 121 4.919 0.787 -9.081 1.00 0.32 O ATOM 1259 CB GLU A 121 7.981 0.510 -9.647 1.00 0.31 C ATOM 1260 CG GLU A 121 8.102 2.016 -9.876 1.00 0.35 C ATOM 1261 CD GLU A 121 8.776 2.365 -11.186 1.00 0.71 C ATOM 1262 OE1 GLU A 121 8.564 1.646 -12.181 1.00 1.17 O ATOM 1263 OE2 GLU A 121 9.538 3.356 -11.226 1.00 1.24 O ATOM 0 H GLU A 121 6.265 -1.553 -9.313 1.00 0.24 H new ATOM 0 HA GLU A 121 7.731 0.299 -7.531 1.00 0.25 H new ATOM 0 HB2 GLU A 121 8.980 0.089 -9.528 1.00 0.31 H new ATOM 0 HB3 GLU A 121 7.546 0.052 -10.535 1.00 0.31 H new ATOM 0 HG2 GLU A 121 7.107 2.462 -9.856 1.00 0.35 H new ATOM 0 HG3 GLU A 121 8.666 2.458 -9.055 1.00 0.35 H new ATOM 1270 N ILE A 122 5.936 1.987 -7.481 1.00 0.21 N ATOM 1271 CA ILE A 122 4.858 2.940 -7.349 1.00 0.23 C ATOM 1272 C ILE A 122 5.384 4.335 -7.615 1.00 0.26 C ATOM 1273 O ILE A 122 6.543 4.504 -7.994 1.00 0.25 O ATOM 1274 CB ILE A 122 4.183 2.869 -5.967 1.00 0.26 C ATOM 1275 CG1 ILE A 122 5.222 2.972 -4.854 1.00 0.27 C ATOM 1276 CG2 ILE A 122 3.379 1.585 -5.847 1.00 0.27 C ATOM 1277 CD1 ILE A 122 4.654 2.752 -3.473 1.00 0.31 C ATOM 0 H ILE A 122 6.715 2.144 -6.842 1.00 0.21 H new ATOM 0 HA ILE A 122 4.094 2.689 -8.085 1.00 0.23 H new ATOM 0 HB ILE A 122 3.502 3.713 -5.864 1.00 0.26 H new ATOM 0 HG12 ILE A 122 6.009 2.240 -5.035 1.00 0.27 H new ATOM 0 HG13 ILE A 122 5.688 3.957 -4.893 1.00 0.27 H new ATOM 0 HG21 ILE A 122 2.905 1.543 -4.866 1.00 0.27 H new ATOM 0 HG22 ILE A 122 2.613 1.562 -6.622 1.00 0.27 H new ATOM 0 HG23 ILE A 122 4.042 0.728 -5.967 1.00 0.27 H new ATOM 0 HD11 ILE A 122 5.450 2.840 -2.734 1.00 0.31 H new ATOM 0 HD12 ILE A 122 3.887 3.500 -3.272 1.00 0.31 H new ATOM 0 HD13 ILE A 122 4.214 1.757 -3.415 1.00 0.31 H new ATOM 1289 N LYS A 123 4.538 5.323 -7.464 1.00 0.30 N ATOM 1290 CA LYS A 123 4.907 6.684 -7.806 1.00 0.34 C ATOM 1291 C LYS A 123 5.821 7.277 -6.753 1.00 0.36 C ATOM 1292 O LYS A 123 5.428 7.468 -5.602 1.00 0.42 O ATOM 1293 CB LYS A 123 3.662 7.538 -7.986 1.00 0.39 C ATOM 1294 CG LYS A 123 3.751 8.468 -9.173 1.00 0.48 C ATOM 1295 CD LYS A 123 2.427 9.151 -9.444 1.00 0.75 C ATOM 1296 CE LYS A 123 2.491 9.986 -10.707 1.00 1.35 C ATOM 1297 NZ LYS A 123 1.206 10.675 -10.980 1.00 2.15 N ATOM 0 H LYS A 123 3.588 5.216 -7.107 1.00 0.30 H new ATOM 0 HA LYS A 123 5.453 6.666 -8.749 1.00 0.34 H new ATOM 0 HB2 LYS A 123 2.796 6.887 -8.105 1.00 0.39 H new ATOM 0 HB3 LYS A 123 3.497 8.125 -7.083 1.00 0.39 H new ATOM 0 HG2 LYS A 123 4.519 9.220 -8.991 1.00 0.48 H new ATOM 0 HG3 LYS A 123 4.059 7.906 -10.055 1.00 0.48 H new ATOM 0 HD2 LYS A 123 1.641 8.402 -9.539 1.00 0.75 H new ATOM 0 HD3 LYS A 123 2.162 9.785 -8.598 1.00 0.75 H new ATOM 0 HE2 LYS A 123 3.287 10.725 -10.614 1.00 1.35 H new ATOM 0 HE3 LYS A 123 2.747 9.347 -11.552 1.00 1.35 H new ATOM 0 HZ1 LYS A 123 1.291 11.235 -11.852 1.00 2.15 H new ATOM 0 HZ2 LYS A 123 0.451 9.969 -11.094 1.00 2.15 H new ATOM 0 HZ3 LYS A 123 0.974 11.304 -10.185 1.00 2.15 H new ATOM 1311 N GLY A 124 7.049 7.535 -7.162 1.00 0.37 N ATOM 1312 CA GLY A 124 8.035 8.113 -6.275 1.00 0.42 C ATOM 1313 C GLY A 124 8.712 7.074 -5.401 1.00 0.38 C ATOM 1314 O GLY A 124 9.883 7.213 -5.050 1.00 0.42 O ATOM 0 H GLY A 124 7.386 7.352 -8.107 1.00 0.37 H new ATOM 0 HA2 GLY A 124 8.789 8.633 -6.865 1.00 0.42 H new ATOM 0 HA3 GLY A 124 7.556 8.859 -5.641 1.00 0.42 H new ATOM 1318 N GLY A 125 7.968 6.048 -5.028 1.00 0.34 N ATOM 1319 CA GLY A 125 8.518 4.989 -4.213 1.00 0.31 C ATOM 1320 C GLY A 125 8.520 3.641 -4.901 1.00 0.25 C ATOM 1321 O GLY A 125 8.026 3.491 -6.013 1.00 0.29 O ATOM 0 H GLY A 125 6.986 5.929 -5.277 1.00 0.34 H new ATOM 0 HA2 GLY A 125 9.539 5.248 -3.934 1.00 0.31 H new ATOM 0 HA3 GLY A 125 7.944 4.916 -3.289 1.00 0.31 H new ATOM 1325 N TYR A 126 9.086 2.655 -4.229 1.00 0.19 N ATOM 1326 CA TYR A 126 9.064 1.283 -4.696 1.00 0.16 C ATOM 1327 C TYR A 126 8.569 0.373 -3.593 1.00 0.16 C ATOM 1328 O TYR A 126 9.157 0.334 -2.515 1.00 0.17 O ATOM 1329 CB TYR A 126 10.463 0.827 -5.110 1.00 0.15 C ATOM 1330 CG TYR A 126 10.815 1.089 -6.552 1.00 0.18 C ATOM 1331 CD1 TYR A 126 10.931 2.378 -7.036 1.00 0.24 C ATOM 1332 CD2 TYR A 126 11.033 0.038 -7.427 1.00 0.21 C ATOM 1333 CE1 TYR A 126 11.260 2.618 -8.352 1.00 0.29 C ATOM 1334 CE2 TYR A 126 11.364 0.265 -8.747 1.00 0.27 C ATOM 1335 CZ TYR A 126 11.478 1.558 -9.206 1.00 0.30 C ATOM 1336 OH TYR A 126 11.822 1.789 -10.519 1.00 0.38 O ATOM 0 H TYR A 126 9.574 2.784 -3.343 1.00 0.19 H new ATOM 0 HA TYR A 126 8.398 1.231 -5.557 1.00 0.16 H new ATOM 0 HB2 TYR A 126 11.195 1.327 -4.476 1.00 0.15 H new ATOM 0 HB3 TYR A 126 10.553 -0.242 -4.918 1.00 0.15 H new ATOM 0 HD1 TYR A 126 10.761 3.212 -6.371 1.00 0.24 H new ATOM 0 HD2 TYR A 126 10.942 -0.977 -7.070 1.00 0.21 H new ATOM 0 HE1 TYR A 126 11.347 3.632 -8.713 1.00 0.29 H new ATOM 0 HE2 TYR A 126 11.533 -0.566 -9.416 1.00 0.27 H new ATOM 0 HH TYR A 126 11.313 2.554 -10.861 1.00 0.38 H new ATOM 1346 N VAL A 127 7.499 -0.351 -3.851 1.00 0.18 N ATOM 1347 CA VAL A 127 7.072 -1.377 -2.924 1.00 0.20 C ATOM 1348 C VAL A 127 8.004 -2.575 -3.079 1.00 0.17 C ATOM 1349 O VAL A 127 8.016 -3.255 -4.108 1.00 0.20 O ATOM 1350 CB VAL A 127 5.585 -1.769 -3.130 1.00 0.29 C ATOM 1351 CG1 VAL A 127 5.228 -1.887 -4.605 1.00 0.55 C ATOM 1352 CG2 VAL A 127 5.265 -3.064 -2.401 1.00 0.60 C ATOM 0 H VAL A 127 6.917 -0.250 -4.683 1.00 0.18 H new ATOM 0 HA VAL A 127 7.133 -0.994 -1.905 1.00 0.20 H new ATOM 0 HB VAL A 127 4.978 -0.968 -2.708 1.00 0.29 H new ATOM 0 HG11 VAL A 127 4.178 -2.163 -4.704 1.00 0.55 H new ATOM 0 HG12 VAL A 127 5.400 -0.931 -5.099 1.00 0.55 H new ATOM 0 HG13 VAL A 127 5.850 -2.652 -5.070 1.00 0.55 H new ATOM 0 HG21 VAL A 127 4.217 -3.321 -2.558 1.00 0.60 H new ATOM 0 HG22 VAL A 127 5.897 -3.864 -2.787 1.00 0.60 H new ATOM 0 HG23 VAL A 127 5.451 -2.937 -1.335 1.00 0.60 H new ATOM 1362 N ILE A 128 8.806 -2.813 -2.058 1.00 0.14 N ATOM 1363 CA ILE A 128 9.919 -3.735 -2.168 1.00 0.12 C ATOM 1364 C ILE A 128 9.921 -4.754 -1.046 1.00 0.13 C ATOM 1365 O ILE A 128 9.328 -4.541 0.009 1.00 0.16 O ATOM 1366 CB ILE A 128 11.272 -2.983 -2.167 1.00 0.13 C ATOM 1367 CG1 ILE A 128 11.432 -2.137 -0.892 1.00 0.16 C ATOM 1368 CG2 ILE A 128 11.392 -2.109 -3.406 1.00 0.16 C ATOM 1369 CD1 ILE A 128 12.712 -1.331 -0.850 1.00 0.19 C ATOM 0 H ILE A 128 8.706 -2.379 -1.141 1.00 0.14 H new ATOM 0 HA ILE A 128 9.794 -4.257 -3.117 1.00 0.12 H new ATOM 0 HB ILE A 128 12.072 -3.723 -2.183 1.00 0.13 H new ATOM 0 HG12 ILE A 128 10.583 -1.458 -0.809 1.00 0.16 H new ATOM 0 HG13 ILE A 128 11.400 -2.795 -0.024 1.00 0.16 H new ATOM 0 HG21 ILE A 128 12.348 -1.586 -3.391 1.00 0.16 H new ATOM 0 HG22 ILE A 128 11.333 -2.732 -4.298 1.00 0.16 H new ATOM 0 HG23 ILE A 128 10.581 -1.381 -3.418 1.00 0.16 H new ATOM 0 HD11 ILE A 128 12.753 -0.761 0.078 1.00 0.19 H new ATOM 0 HD12 ILE A 128 13.568 -2.004 -0.900 1.00 0.19 H new ATOM 0 HD13 ILE A 128 12.739 -0.646 -1.698 1.00 0.19 H new ATOM 1381 N LYS A 129 10.587 -5.862 -1.297 1.00 0.15 N ATOM 1382 CA LYS A 129 10.788 -6.883 -0.293 1.00 0.18 C ATOM 1383 C LYS A 129 12.277 -7.113 -0.115 1.00 0.19 C ATOM 1384 O LYS A 129 12.922 -7.745 -0.951 1.00 0.20 O ATOM 1385 CB LYS A 129 10.116 -8.191 -0.705 1.00 0.22 C ATOM 1386 CG LYS A 129 10.307 -9.308 0.307 1.00 0.28 C ATOM 1387 CD LYS A 129 9.932 -10.658 -0.272 1.00 0.40 C ATOM 1388 CE LYS A 129 10.221 -11.777 0.711 1.00 0.51 C ATOM 1389 NZ LYS A 129 10.058 -13.114 0.090 1.00 0.76 N ATOM 0 H LYS A 129 11.003 -6.079 -2.202 1.00 0.15 H new ATOM 0 HA LYS A 129 10.343 -6.549 0.644 1.00 0.18 H new ATOM 0 HB2 LYS A 129 9.049 -8.015 -0.845 1.00 0.22 H new ATOM 0 HB3 LYS A 129 10.516 -8.510 -1.668 1.00 0.22 H new ATOM 0 HG2 LYS A 129 11.346 -9.328 0.635 1.00 0.28 H new ATOM 0 HG3 LYS A 129 9.698 -9.108 1.189 1.00 0.28 H new ATOM 0 HD2 LYS A 129 8.874 -10.664 -0.532 1.00 0.40 H new ATOM 0 HD3 LYS A 129 10.488 -10.828 -1.194 1.00 0.40 H new ATOM 0 HE2 LYS A 129 11.238 -11.674 1.090 1.00 0.51 H new ATOM 0 HE3 LYS A 129 9.552 -11.690 1.567 1.00 0.51 H new ATOM 0 HZ1 LYS A 129 10.264 -13.851 0.794 1.00 0.76 H new ATOM 0 HZ2 LYS A 129 9.081 -13.223 -0.249 1.00 0.76 H new ATOM 0 HZ3 LYS A 129 10.714 -13.207 -0.711 1.00 0.76 H new ATOM 1403 N VAL A 130 12.819 -6.606 0.973 1.00 0.21 N ATOM 1404 CA VAL A 130 14.234 -6.718 1.227 1.00 0.24 C ATOM 1405 C VAL A 130 14.460 -7.501 2.507 1.00 0.29 C ATOM 1406 O VAL A 130 13.746 -7.310 3.500 1.00 0.29 O ATOM 1407 CB VAL A 130 14.923 -5.331 1.308 1.00 0.24 C ATOM 1408 CG1 VAL A 130 14.104 -4.286 0.576 1.00 0.26 C ATOM 1409 CG2 VAL A 130 15.174 -4.889 2.740 1.00 0.26 C ATOM 0 H VAL A 130 12.296 -6.111 1.696 1.00 0.21 H new ATOM 0 HA VAL A 130 14.686 -7.249 0.389 1.00 0.24 H new ATOM 0 HB VAL A 130 15.895 -5.433 0.825 1.00 0.24 H new ATOM 0 HG11 VAL A 130 14.603 -3.319 0.644 1.00 0.26 H new ATOM 0 HG12 VAL A 130 14.004 -4.570 -0.472 1.00 0.26 H new ATOM 0 HG13 VAL A 130 13.115 -4.216 1.029 1.00 0.26 H new ATOM 0 HG21 VAL A 130 15.658 -3.912 2.740 1.00 0.26 H new ATOM 0 HG22 VAL A 130 14.225 -4.824 3.272 1.00 0.26 H new ATOM 0 HG23 VAL A 130 15.819 -5.614 3.237 1.00 0.26 H new ATOM 1419 N ASP A 131 15.417 -8.414 2.458 1.00 0.36 N ATOM 1420 CA ASP A 131 15.771 -9.232 3.609 1.00 0.44 C ATOM 1421 C ASP A 131 14.550 -10.017 4.107 1.00 0.43 C ATOM 1422 O ASP A 131 14.491 -10.467 5.252 1.00 0.50 O ATOM 1423 CB ASP A 131 16.364 -8.334 4.704 1.00 0.48 C ATOM 1424 CG ASP A 131 16.987 -9.107 5.851 1.00 0.59 C ATOM 1425 OD1 ASP A 131 18.049 -9.731 5.652 1.00 0.74 O ATOM 1426 OD2 ASP A 131 16.406 -9.106 6.955 1.00 0.59 O ATOM 0 H ASP A 131 15.969 -8.609 1.623 1.00 0.36 H new ATOM 0 HA ASP A 131 16.525 -9.966 3.324 1.00 0.44 H new ATOM 0 HB2 ASP A 131 17.120 -7.686 4.261 1.00 0.48 H new ATOM 0 HB3 ASP A 131 15.579 -7.687 5.096 1.00 0.48 H new ATOM 1431 N GLY A 132 13.584 -10.196 3.215 1.00 0.39 N ATOM 1432 CA GLY A 132 12.366 -10.907 3.548 1.00 0.40 C ATOM 1433 C GLY A 132 11.206 -9.986 3.899 1.00 0.40 C ATOM 1434 O GLY A 132 10.045 -10.387 3.808 1.00 0.59 O ATOM 0 H GLY A 132 13.625 -9.856 2.254 1.00 0.39 H new ATOM 0 HA2 GLY A 132 12.079 -11.536 2.705 1.00 0.40 H new ATOM 0 HA3 GLY A 132 12.560 -11.572 4.390 1.00 0.40 H new ATOM 1438 N LYS A 133 11.502 -8.755 4.299 1.00 0.30 N ATOM 1439 CA LYS A 133 10.468 -7.836 4.731 1.00 0.29 C ATOM 1440 C LYS A 133 10.024 -6.889 3.637 1.00 0.26 C ATOM 1441 O LYS A 133 10.742 -6.617 2.683 1.00 0.33 O ATOM 1442 CB LYS A 133 10.940 -7.017 5.919 1.00 0.33 C ATOM 1443 CG LYS A 133 11.290 -7.840 7.140 1.00 0.40 C ATOM 1444 CD LYS A 133 12.641 -8.522 7.016 1.00 0.80 C ATOM 1445 CE LYS A 133 13.781 -7.517 7.003 1.00 0.62 C ATOM 1446 NZ LYS A 133 13.919 -6.803 8.300 1.00 1.15 N ATOM 0 H LYS A 133 12.448 -8.375 4.331 1.00 0.30 H new ATOM 0 HA LYS A 133 9.615 -8.455 5.009 1.00 0.29 H new ATOM 0 HB2 LYS A 133 11.814 -6.438 5.622 1.00 0.33 H new ATOM 0 HB3 LYS A 133 10.161 -6.303 6.187 1.00 0.33 H new ATOM 0 HG2 LYS A 133 11.291 -7.196 8.020 1.00 0.40 H new ATOM 0 HG3 LYS A 133 10.519 -8.594 7.298 1.00 0.40 H new ATOM 0 HD2 LYS A 133 12.776 -9.214 7.847 1.00 0.80 H new ATOM 0 HD3 LYS A 133 12.667 -9.113 6.101 1.00 0.80 H new ATOM 0 HE2 LYS A 133 14.714 -8.032 6.773 1.00 0.62 H new ATOM 0 HE3 LYS A 133 13.613 -6.791 6.207 1.00 0.62 H new ATOM 0 HZ1 LYS A 133 13.713 -5.793 8.164 1.00 1.15 H new ATOM 0 HZ2 LYS A 133 13.250 -7.203 8.989 1.00 1.15 H new ATOM 0 HZ3 LYS A 133 14.890 -6.914 8.656 1.00 1.15 H new ATOM 1460 N TYR A 134 8.824 -6.385 3.824 1.00 0.25 N ATOM 1461 CA TYR A 134 8.183 -5.499 2.887 1.00 0.23 C ATOM 1462 C TYR A 134 8.356 -4.036 3.275 1.00 0.22 C ATOM 1463 O TYR A 134 8.114 -3.648 4.421 1.00 0.26 O ATOM 1464 CB TYR A 134 6.712 -5.878 2.831 1.00 0.28 C ATOM 1465 CG TYR A 134 6.522 -7.288 2.356 1.00 0.46 C ATOM 1466 CD1 TYR A 134 6.865 -7.714 1.081 1.00 0.64 C ATOM 1467 CD2 TYR A 134 5.995 -8.188 3.223 1.00 0.63 C ATOM 1468 CE1 TYR A 134 6.668 -9.031 0.703 1.00 0.88 C ATOM 1469 CE2 TYR A 134 5.792 -9.504 2.880 1.00 0.86 C ATOM 1470 CZ TYR A 134 6.213 -9.850 1.350 1.00 0.91 C ATOM 1471 OH TYR A 134 5.945 -11.241 1.246 1.00 1.22 O ATOM 0 H TYR A 134 8.258 -6.586 4.649 1.00 0.25 H new ATOM 0 HA TYR A 134 8.645 -5.607 1.906 1.00 0.23 H new ATOM 0 HB2 TYR A 134 6.269 -5.764 3.820 1.00 0.28 H new ATOM 0 HB3 TYR A 134 6.185 -5.195 2.165 1.00 0.28 H new ATOM 0 HD1 TYR A 134 7.289 -7.013 0.378 1.00 0.64 H new ATOM 0 HD2 TYR A 134 5.726 -7.860 4.216 1.00 0.63 H new ATOM 0 HE1 TYR A 134 6.973 -9.306 -0.296 1.00 0.88 H new ATOM 0 HE2 TYR A 134 5.391 -10.238 3.563 1.00 0.86 H new ATOM 0 HH TYR A 134 5.528 -11.557 2.075 1.00 1.22 H new ATOM 1481 N TYR A 135 8.783 -3.237 2.308 1.00 0.19 N ATOM 1482 CA TYR A 135 9.001 -1.814 2.512 1.00 0.20 C ATOM 1483 C TYR A 135 8.560 -1.030 1.292 1.00 0.19 C ATOM 1484 O TYR A 135 8.168 -1.600 0.275 1.00 0.21 O ATOM 1485 CB TYR A 135 10.484 -1.501 2.738 1.00 0.19 C ATOM 1486 CG TYR A 135 11.168 -2.287 3.813 1.00 0.21 C ATOM 1487 CD1 TYR A 135 11.767 -3.494 3.524 1.00 0.22 C ATOM 1488 CD2 TYR A 135 11.256 -1.796 5.104 1.00 0.28 C ATOM 1489 CE1 TYR A 135 12.435 -4.199 4.481 1.00 0.26 C ATOM 1490 CE2 TYR A 135 11.919 -2.501 6.081 1.00 0.32 C ATOM 1491 CZ TYR A 135 12.512 -3.705 5.766 1.00 0.31 C ATOM 1492 OH TYR A 135 13.189 -4.408 6.733 1.00 0.37 O ATOM 0 H TYR A 135 8.988 -3.557 1.361 1.00 0.19 H new ATOM 0 HA TYR A 135 8.421 -1.531 3.390 1.00 0.20 H new ATOM 0 HB2 TYR A 135 11.016 -1.667 1.801 1.00 0.19 H new ATOM 0 HB3 TYR A 135 10.578 -0.441 2.975 1.00 0.19 H new ATOM 0 HD1 TYR A 135 11.706 -3.889 2.521 1.00 0.22 H new ATOM 0 HD2 TYR A 135 10.799 -0.848 5.347 1.00 0.28 H new ATOM 0 HE1 TYR A 135 12.902 -5.141 4.233 1.00 0.26 H new ATOM 0 HE2 TYR A 135 11.975 -2.114 7.088 1.00 0.32 H new ATOM 0 HH TYR A 135 13.148 -3.920 7.582 1.00 0.37 H new ATOM 1502 N VAL A 136 8.634 0.281 1.413 1.00 0.21 N ATOM 1503 CA VAL A 136 8.440 1.175 0.294 1.00 0.22 C ATOM 1504 C VAL A 136 9.597 2.152 0.218 1.00 0.23 C ATOM 1505 O VAL A 136 9.762 3.020 1.074 1.00 0.31 O ATOM 1506 CB VAL A 136 7.105 1.936 0.388 1.00 0.25 C ATOM 1507 CG1 VAL A 136 7.011 3.015 -0.684 1.00 0.26 C ATOM 1508 CG2 VAL A 136 5.956 0.957 0.259 1.00 0.26 C ATOM 0 H VAL A 136 8.831 0.755 2.294 1.00 0.21 H new ATOM 0 HA VAL A 136 8.405 0.573 -0.614 1.00 0.22 H new ATOM 0 HB VAL A 136 7.051 2.430 1.358 1.00 0.25 H new ATOM 0 HG11 VAL A 136 6.058 3.536 -0.593 1.00 0.26 H new ATOM 0 HG12 VAL A 136 7.827 3.726 -0.557 1.00 0.26 H new ATOM 0 HG13 VAL A 136 7.081 2.555 -1.670 1.00 0.26 H new ATOM 0 HG21 VAL A 136 5.010 1.495 0.325 1.00 0.26 H new ATOM 0 HG22 VAL A 136 6.017 0.449 -0.703 1.00 0.26 H new ATOM 0 HG23 VAL A 136 6.012 0.222 1.062 1.00 0.26 H new ATOM 1518 N TYR A 137 10.394 1.995 -0.815 1.00 0.20 N ATOM 1519 CA TYR A 137 11.559 2.825 -1.028 1.00 0.24 C ATOM 1520 C TYR A 137 11.145 4.151 -1.590 1.00 0.27 C ATOM 1521 O TYR A 137 10.678 4.236 -2.710 1.00 0.46 O ATOM 1522 CB TYR A 137 12.516 2.139 -1.997 1.00 0.35 C ATOM 1523 CG TYR A 137 13.459 3.107 -2.648 1.00 0.50 C ATOM 1524 CD1 TYR A 137 14.424 3.729 -1.902 1.00 0.59 C ATOM 1525 CD2 TYR A 137 13.365 3.416 -3.997 1.00 0.63 C ATOM 1526 CE1 TYR A 137 15.283 4.637 -2.464 1.00 0.76 C ATOM 1527 CE2 TYR A 137 14.225 4.325 -4.575 1.00 0.78 C ATOM 1528 CZ TYR A 137 15.183 4.934 -3.802 1.00 0.77 C ATOM 1529 OH TYR A 137 16.048 5.842 -4.368 1.00 1.01 O ATOM 0 H TYR A 137 10.252 1.285 -1.534 1.00 0.20 H new ATOM 0 HA TYR A 137 12.062 2.979 -0.073 1.00 0.24 H new ATOM 0 HB2 TYR A 137 13.089 1.381 -1.463 1.00 0.35 H new ATOM 0 HB3 TYR A 137 11.942 1.622 -2.766 1.00 0.35 H new ATOM 0 HD1 TYR A 137 14.510 3.500 -0.850 1.00 0.59 H new ATOM 0 HD2 TYR A 137 12.609 2.938 -4.602 1.00 0.63 H new ATOM 0 HE1 TYR A 137 16.036 5.118 -1.857 1.00 0.76 H new ATOM 0 HE2 TYR A 137 14.146 4.556 -5.627 1.00 0.78 H new ATOM 0 HH TYR A 137 16.011 5.765 -5.344 1.00 1.01 H new ATOM 1539 N LEU A 138 11.328 5.185 -0.811 1.00 0.29 N ATOM 1540 CA LEU A 138 10.912 6.489 -1.227 1.00 0.38 C ATOM 1541 C LEU A 138 12.084 7.286 -1.765 1.00 0.44 C ATOM 1542 O LEU A 138 13.144 7.363 -1.141 1.00 0.50 O ATOM 1543 CB LEU A 138 10.263 7.203 -0.064 1.00 0.48 C ATOM 1544 CG LEU A 138 9.213 8.223 -0.472 1.00 0.64 C ATOM 1545 CD1 LEU A 138 8.154 7.567 -1.348 1.00 0.72 C ATOM 1546 CD2 LEU A 138 8.580 8.846 0.754 1.00 0.72 C ATOM 0 H LEU A 138 11.761 5.145 0.111 1.00 0.29 H new ATOM 0 HA LEU A 138 10.186 6.390 -2.034 1.00 0.38 H new ATOM 0 HB2 LEU A 138 9.801 6.464 0.591 1.00 0.48 H new ATOM 0 HB3 LEU A 138 11.036 7.705 0.518 1.00 0.48 H new ATOM 0 HG LEU A 138 9.696 9.013 -1.047 1.00 0.64 H new ATOM 0 HD11 LEU A 138 7.408 8.308 -1.633 1.00 0.72 H new ATOM 0 HD12 LEU A 138 8.623 7.161 -2.244 1.00 0.72 H new ATOM 0 HD13 LEU A 138 7.672 6.761 -0.794 1.00 0.72 H new ATOM 0 HD21 LEU A 138 7.830 9.574 0.446 1.00 0.72 H new ATOM 0 HD22 LEU A 138 8.106 8.069 1.354 1.00 0.72 H new ATOM 0 HD23 LEU A 138 9.348 9.344 1.347 1.00 0.72 H new ATOM 1558 N LYS A 139 11.889 7.854 -2.940 1.00 0.46 N ATOM 1559 CA LYS A 139 12.904 8.675 -3.574 1.00 0.54 C ATOM 1560 C LYS A 139 12.813 10.120 -3.078 1.00 0.64 C ATOM 1561 O LYS A 139 13.715 10.926 -3.306 1.00 0.74 O ATOM 1562 CB LYS A 139 12.756 8.608 -5.093 1.00 0.56 C ATOM 1563 CG LYS A 139 13.003 7.218 -5.662 1.00 0.50 C ATOM 1564 CD LYS A 139 12.758 7.150 -7.167 1.00 0.59 C ATOM 1565 CE LYS A 139 13.912 7.724 -7.984 1.00 1.51 C ATOM 1566 NZ LYS A 139 14.013 9.206 -7.885 1.00 2.31 N ATOM 0 H LYS A 139 11.028 7.761 -3.479 1.00 0.46 H new ATOM 0 HA LYS A 139 13.888 8.290 -3.306 1.00 0.54 H new ATOM 0 HB2 LYS A 139 11.752 8.932 -5.368 1.00 0.56 H new ATOM 0 HB3 LYS A 139 13.454 9.309 -5.550 1.00 0.56 H new ATOM 0 HG2 LYS A 139 14.030 6.920 -5.451 1.00 0.50 H new ATOM 0 HG3 LYS A 139 12.353 6.502 -5.159 1.00 0.50 H new ATOM 0 HD2 LYS A 139 12.596 6.112 -7.457 1.00 0.59 H new ATOM 0 HD3 LYS A 139 11.844 7.694 -7.406 1.00 0.59 H new ATOM 0 HE2 LYS A 139 14.847 7.278 -7.645 1.00 1.51 H new ATOM 0 HE3 LYS A 139 13.785 7.443 -9.029 1.00 1.51 H new ATOM 0 HZ1 LYS A 139 14.316 9.595 -8.801 1.00 2.31 H new ATOM 0 HZ2 LYS A 139 13.085 9.601 -7.631 1.00 2.31 H new ATOM 0 HZ3 LYS A 139 14.709 9.459 -7.154 1.00 2.31 H new ATOM 1580 N ASP A 140 11.715 10.437 -2.397 1.00 0.66 N ATOM 1581 CA ASP A 140 11.533 11.741 -1.775 1.00 0.78 C ATOM 1582 C ASP A 140 10.767 11.576 -0.471 1.00 0.77 C ATOM 1583 O ASP A 140 9.543 11.713 -0.425 1.00 0.88 O ATOM 1584 CB ASP A 140 10.789 12.706 -2.701 1.00 1.00 C ATOM 1585 CG ASP A 140 10.634 14.083 -2.085 1.00 1.24 C ATOM 1586 OD1 ASP A 140 11.588 14.888 -2.164 1.00 1.57 O ATOM 1587 OD2 ASP A 140 9.569 14.369 -1.512 1.00 1.58 O ATOM 0 H ASP A 140 10.931 9.799 -2.262 1.00 0.66 H new ATOM 0 HA ASP A 140 12.517 12.166 -1.576 1.00 0.78 H new ATOM 0 HB2 ASP A 140 11.328 12.790 -3.645 1.00 1.00 H new ATOM 0 HB3 ASP A 140 9.804 12.300 -2.932 1.00 1.00 H new ATOM 1592 N ALA A 141 11.491 11.249 0.584 1.00 0.73 N ATOM 1593 CA ALA A 141 10.880 10.994 1.879 1.00 0.79 C ATOM 1594 C ALA A 141 10.565 12.288 2.615 1.00 0.97 C ATOM 1595 O ALA A 141 9.780 12.299 3.562 1.00 1.12 O ATOM 1596 CB ALA A 141 11.783 10.109 2.725 1.00 0.86 C ATOM 0 H ALA A 141 12.506 11.153 0.571 1.00 0.73 H new ATOM 0 HA ALA A 141 9.937 10.475 1.704 1.00 0.79 H new ATOM 0 HB1 ALA A 141 11.312 9.927 3.691 1.00 0.86 H new ATOM 0 HB2 ALA A 141 11.943 9.159 2.215 1.00 0.86 H new ATOM 0 HB3 ALA A 141 12.741 10.606 2.876 1.00 0.86 H new ATOM 1602 N ALA A 142 11.157 13.382 2.164 1.00 1.02 N ATOM 1603 CA ALA A 142 11.046 14.649 2.876 1.00 1.26 C ATOM 1604 C ALA A 142 9.748 15.383 2.557 1.00 1.37 C ATOM 1605 O ALA A 142 9.101 15.923 3.452 1.00 1.60 O ATOM 1606 CB ALA A 142 12.236 15.542 2.567 1.00 1.38 C ATOM 0 H ALA A 142 11.717 13.421 1.312 1.00 1.02 H new ATOM 0 HA ALA A 142 11.036 14.413 3.940 1.00 1.26 H new ATOM 0 HB1 ALA A 142 12.135 16.483 3.108 1.00 1.38 H new ATOM 0 HB2 ALA A 142 13.155 15.043 2.875 1.00 1.38 H new ATOM 0 HB3 ALA A 142 12.273 15.741 1.496 1.00 1.38 H new ATOM 1612 N HIS A 143 9.358 15.397 1.289 1.00 1.30 N ATOM 1613 CA HIS A 143 8.229 16.223 0.864 1.00 1.50 C ATOM 1614 C HIS A 143 6.993 15.379 0.600 1.00 1.25 C ATOM 1615 O HIS A 143 6.016 15.865 0.027 1.00 1.33 O ATOM 1616 CB HIS A 143 8.583 17.011 -0.397 1.00 1.74 C ATOM 1617 CG HIS A 143 9.913 17.696 -0.330 1.00 2.20 C ATOM 1618 ND1 HIS A 143 11.034 17.226 -0.979 1.00 2.83 N ATOM 1619 CD2 HIS A 143 10.300 18.815 0.320 1.00 2.47 C ATOM 1620 CE1 HIS A 143 12.050 18.029 -0.731 1.00 3.41 C ATOM 1621 NE2 HIS A 143 11.633 19.003 0.054 1.00 3.11 N ATOM 0 H HIS A 143 9.797 14.855 0.545 1.00 1.30 H new ATOM 0 HA HIS A 143 8.010 16.917 1.676 1.00 1.50 H new ATOM 0 HB2 HIS A 143 8.577 16.334 -1.251 1.00 1.74 H new ATOM 0 HB3 HIS A 143 7.809 17.757 -0.577 1.00 1.74 H new ATOM 0 HD1 HIS A 143 11.072 16.388 -1.560 1.00 2.83 H new ATOM 0 HD2 HIS A 143 9.675 19.445 0.936 1.00 2.47 H new ATOM 0 HE1 HIS A 143 13.055 17.909 -1.108 1.00 3.41 H new ATOM 1630 N ALA A 144 7.056 14.117 1.021 1.00 0.99 N ATOM 1631 CA ALA A 144 5.966 13.162 0.844 1.00 0.77 C ATOM 1632 C ALA A 144 5.716 12.840 -0.616 1.00 0.76 C ATOM 1633 O ALA A 144 5.273 13.678 -1.404 1.00 1.13 O ATOM 1634 CB ALA A 144 4.693 13.661 1.491 1.00 0.88 C ATOM 0 H ALA A 144 7.870 13.727 1.497 1.00 0.99 H new ATOM 0 HA ALA A 144 6.276 12.241 1.338 1.00 0.77 H new ATOM 0 HB1 ALA A 144 3.899 12.929 1.343 1.00 0.88 H new ATOM 0 HB2 ALA A 144 4.860 13.805 2.559 1.00 0.88 H new ATOM 0 HB3 ALA A 144 4.402 14.609 1.038 1.00 0.88 H new ATOM 1640 N ASP A 145 5.990 11.605 -0.964 1.00 0.59 N ATOM 1641 CA ASP A 145 5.746 11.118 -2.299 1.00 0.87 C ATOM 1642 C ASP A 145 4.753 9.975 -2.226 1.00 0.66 C ATOM 1643 O ASP A 145 5.118 8.842 -2.474 1.00 0.75 O ATOM 1644 CB ASP A 145 7.044 10.655 -2.961 1.00 1.23 C ATOM 1645 CG ASP A 145 7.018 10.852 -4.465 1.00 1.79 C ATOM 1646 OD1 ASP A 145 6.007 10.497 -5.104 1.00 1.99 O ATOM 1647 OD2 ASP A 145 8.009 11.373 -5.018 1.00 2.20 O ATOM 0 H ASP A 145 6.388 10.911 -0.330 1.00 0.59 H new ATOM 0 HA ASP A 145 5.338 11.926 -2.907 1.00 0.87 H new ATOM 0 HB2 ASP A 145 7.883 11.207 -2.538 1.00 1.23 H new ATOM 0 HB3 ASP A 145 7.209 9.601 -2.736 1.00 1.23 H new ATOM 1652 N ASN A 146 3.533 10.300 -1.783 1.00 0.48 N ATOM 1653 CA ASN A 146 2.407 9.348 -1.630 1.00 0.32 C ATOM 1654 C ASN A 146 2.507 8.615 -0.303 1.00 0.25 C ATOM 1655 O ASN A 146 1.914 7.568 -0.092 1.00 0.37 O ATOM 1656 CB ASN A 146 2.248 8.373 -2.840 1.00 0.38 C ATOM 1657 CG ASN A 146 2.853 6.968 -2.688 1.00 0.76 C ATOM 1658 OD1 ASN A 146 2.245 6.074 -2.114 1.00 1.69 O ATOM 1659 ND2 ASN A 146 4.012 6.735 -3.275 1.00 0.65 N ATOM 0 H ASN A 146 3.287 11.252 -1.512 1.00 0.48 H new ATOM 0 HA ASN A 146 1.490 9.937 -1.624 1.00 0.32 H new ATOM 0 HB2 ASN A 146 1.184 8.263 -3.049 1.00 0.38 H new ATOM 0 HB3 ASN A 146 2.698 8.843 -3.715 1.00 0.38 H new ATOM 0 HD21 ASN A 146 4.415 5.798 -3.255 1.00 0.65 H new ATOM 0 HD22 ASN A 146 4.505 7.492 -3.749 1.00 0.65 H new ATOM 1666 N ILE A 147 3.206 9.222 0.633 1.00 0.30 N ATOM 1667 CA ILE A 147 3.333 8.643 1.950 1.00 0.34 C ATOM 1668 C ILE A 147 2.558 9.454 2.971 1.00 0.38 C ATOM 1669 O ILE A 147 2.810 10.647 3.158 1.00 0.46 O ATOM 1670 CB ILE A 147 4.801 8.543 2.385 1.00 0.42 C ATOM 1671 CG1 ILE A 147 5.604 7.770 1.337 1.00 0.46 C ATOM 1672 CG2 ILE A 147 4.904 7.877 3.746 1.00 0.49 C ATOM 1673 CD1 ILE A 147 5.044 6.400 1.017 1.00 0.50 C ATOM 0 H ILE A 147 3.691 10.110 0.506 1.00 0.30 H new ATOM 0 HA ILE A 147 2.919 7.636 1.898 1.00 0.34 H new ATOM 0 HB ILE A 147 5.217 9.547 2.468 1.00 0.42 H new ATOM 0 HG12 ILE A 147 5.645 8.358 0.420 1.00 0.46 H new ATOM 0 HG13 ILE A 147 6.629 7.658 1.690 1.00 0.46 H new ATOM 0 HG21 ILE A 147 5.951 7.813 4.041 1.00 0.49 H new ATOM 0 HG22 ILE A 147 4.355 8.465 4.481 1.00 0.49 H new ATOM 0 HG23 ILE A 147 4.480 6.874 3.693 1.00 0.49 H new ATOM 0 HD11 ILE A 147 5.670 5.917 0.266 1.00 0.50 H new ATOM 0 HD12 ILE A 147 5.029 5.793 1.922 1.00 0.50 H new ATOM 0 HD13 ILE A 147 4.029 6.502 0.632 1.00 0.50 H new ATOM 1685 N ARG A 148 1.600 8.808 3.612 1.00 0.36 N ATOM 1686 CA ARG A 148 0.813 9.446 4.653 1.00 0.38 C ATOM 1687 C ARG A 148 1.278 8.916 6.000 1.00 0.36 C ATOM 1688 O ARG A 148 1.366 7.701 6.202 1.00 0.39 O ATOM 1689 CB ARG A 148 -0.691 9.184 4.477 1.00 0.45 C ATOM 1690 CG ARG A 148 -1.204 9.261 3.040 1.00 0.62 C ATOM 1691 CD ARG A 148 -0.595 10.402 2.227 1.00 0.83 C ATOM 1692 NE ARG A 148 -0.913 11.730 2.746 1.00 0.98 N ATOM 1693 CZ ARG A 148 -1.321 12.746 1.983 1.00 1.03 C ATOM 1694 NH1 ARG A 148 -1.554 12.559 0.692 1.00 1.40 N ATOM 1695 NH2 ARG A 148 -1.504 13.950 2.508 1.00 1.78 N ATOM 0 H ARG A 148 1.347 7.837 3.429 1.00 0.36 H new ATOM 0 HA ARG A 148 0.960 10.524 4.591 1.00 0.38 H new ATOM 0 HB2 ARG A 148 -0.920 8.195 4.874 1.00 0.45 H new ATOM 0 HB3 ARG A 148 -1.242 9.905 5.081 1.00 0.45 H new ATOM 0 HG2 ARG A 148 -0.993 8.317 2.538 1.00 0.62 H new ATOM 0 HG3 ARG A 148 -2.288 9.378 3.057 1.00 0.62 H new ATOM 0 HD2 ARG A 148 0.488 10.281 2.203 1.00 0.83 H new ATOM 0 HD3 ARG A 148 -0.947 10.330 1.198 1.00 0.83 H new ATOM 0 HE ARG A 148 -0.818 11.890 3.749 1.00 0.98 H new ATOM 0 HH11 ARG A 148 -1.422 11.636 0.278 1.00 1.40 H new ATOM 0 HH12 ARG A 148 -1.866 13.338 0.112 1.00 1.40 H new ATOM 0 HH21 ARG A 148 -1.333 14.105 3.502 1.00 1.78 H new ATOM 0 HH22 ARG A 148 -1.816 14.722 1.918 1.00 1.78 H new ATOM 1709 N THR A 149 1.612 9.822 6.903 1.00 0.33 N ATOM 1710 CA THR A 149 2.035 9.451 8.243 1.00 0.31 C ATOM 1711 C THR A 149 0.901 8.786 8.992 1.00 0.28 C ATOM 1712 O THR A 149 -0.250 9.000 8.651 1.00 0.29 O ATOM 1713 CB THR A 149 2.485 10.694 9.028 1.00 0.34 C ATOM 1714 OG1 THR A 149 1.573 11.770 8.792 1.00 0.37 O ATOM 1715 CG2 THR A 149 3.880 11.117 8.607 1.00 0.40 C ATOM 0 H THR A 149 1.598 10.827 6.731 1.00 0.33 H new ATOM 0 HA THR A 149 2.869 8.755 8.150 1.00 0.31 H new ATOM 0 HB THR A 149 2.497 10.446 10.089 1.00 0.34 H new ATOM 0 HG1 THR A 149 1.862 12.560 9.295 1.00 0.37 H new ATOM 0 HG21 THR A 149 4.180 11.998 9.174 1.00 0.40 H new ATOM 0 HG22 THR A 149 4.581 10.305 8.801 1.00 0.40 H new ATOM 0 HG23 THR A 149 3.883 11.352 7.543 1.00 0.40 H new ATOM 1723 N LYS A 150 1.210 7.987 9.996 1.00 0.31 N ATOM 1724 CA LYS A 150 0.176 7.358 10.804 1.00 0.34 C ATOM 1725 C LYS A 150 -0.803 8.395 11.331 1.00 0.31 C ATOM 1726 O LYS A 150 -2.023 8.198 11.286 1.00 0.39 O ATOM 1727 CB LYS A 150 0.814 6.604 11.946 1.00 0.41 C ATOM 1728 CG LYS A 150 1.578 5.392 11.488 1.00 0.63 C ATOM 1729 CD LYS A 150 2.706 5.086 12.439 1.00 1.48 C ATOM 1730 CE LYS A 150 2.218 4.932 13.869 1.00 2.24 C ATOM 1731 NZ LYS A 150 3.337 4.683 14.809 1.00 3.02 N ATOM 0 H LYS A 150 2.164 7.757 10.273 1.00 0.31 H new ATOM 0 HA LYS A 150 -0.381 6.658 10.181 1.00 0.34 H new ATOM 0 HB2 LYS A 150 1.488 7.271 12.484 1.00 0.41 H new ATOM 0 HB3 LYS A 150 0.040 6.296 12.650 1.00 0.41 H new ATOM 0 HG2 LYS A 150 0.907 4.535 11.423 1.00 0.63 H new ATOM 0 HG3 LYS A 150 1.975 5.562 10.487 1.00 0.63 H new ATOM 0 HD2 LYS A 150 3.206 4.169 12.126 1.00 1.48 H new ATOM 0 HD3 LYS A 150 3.446 5.885 12.392 1.00 1.48 H new ATOM 0 HE2 LYS A 150 1.684 5.834 14.170 1.00 2.24 H new ATOM 0 HE3 LYS A 150 1.507 4.108 13.924 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 2.964 4.584 15.775 1.00 3.02 H new ATOM 0 HZ2 LYS A 150 3.831 3.809 14.537 1.00 3.02 H new ATOM 0 HZ3 LYS A 150 4.003 5.481 14.776 1.00 3.02 H new ATOM 1745 N GLU A 151 -0.257 9.513 11.797 1.00 0.29 N ATOM 1746 CA GLU A 151 -1.069 10.622 12.264 1.00 0.34 C ATOM 1747 C GLU A 151 -1.950 11.154 11.141 1.00 0.36 C ATOM 1748 O GLU A 151 -3.135 11.434 11.340 1.00 0.48 O ATOM 1749 CB GLU A 151 -0.189 11.742 12.824 1.00 0.44 C ATOM 1750 CG GLU A 151 0.570 11.351 14.075 1.00 0.56 C ATOM 1751 CD GLU A 151 1.459 12.460 14.595 1.00 1.01 C ATOM 1752 OE1 GLU A 151 0.983 13.284 15.405 1.00 1.19 O ATOM 1753 OE2 GLU A 151 2.641 12.521 14.192 1.00 1.36 O ATOM 0 H GLU A 151 0.749 9.672 11.860 1.00 0.29 H new ATOM 0 HA GLU A 151 -1.711 10.256 13.065 1.00 0.34 H new ATOM 0 HB2 GLU A 151 0.523 12.050 12.059 1.00 0.44 H new ATOM 0 HB3 GLU A 151 -0.814 12.608 13.044 1.00 0.44 H new ATOM 0 HG2 GLU A 151 -0.141 11.068 14.851 1.00 0.56 H new ATOM 0 HG3 GLU A 151 1.179 10.472 13.864 1.00 0.56 H new ATOM 1760 N GLU A 152 -1.371 11.257 9.956 1.00 0.34 N ATOM 1761 CA GLU A 152 -2.082 11.766 8.799 1.00 0.40 C ATOM 1762 C GLU A 152 -3.086 10.759 8.289 1.00 0.40 C ATOM 1763 O GLU A 152 -4.144 11.129 7.822 1.00 0.50 O ATOM 1764 CB GLU A 152 -1.112 12.098 7.682 1.00 0.44 C ATOM 1765 CG GLU A 152 -1.770 12.729 6.477 1.00 0.54 C ATOM 1766 CD GLU A 152 -0.761 13.257 5.491 1.00 0.67 C ATOM 1767 OE1 GLU A 152 0.138 12.496 5.093 1.00 0.83 O ATOM 1768 OE2 GLU A 152 -0.850 14.443 5.122 1.00 0.76 O ATOM 0 H GLU A 152 -0.403 10.992 9.771 1.00 0.34 H new ATOM 0 HA GLU A 152 -2.608 12.668 9.111 1.00 0.40 H new ATOM 0 HB2 GLU A 152 -0.348 12.775 8.065 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.603 11.186 7.371 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -2.406 11.993 5.985 1.00 0.54 H new ATOM 0 HG3 GLU A 152 -2.418 13.543 6.803 1.00 0.54 H new ATOM 1775 N ILE A 153 -2.742 9.487 8.359 1.00 0.34 N ATOM 1776 CA ILE A 153 -3.620 8.436 7.882 1.00 0.35 C ATOM 1777 C ILE A 153 -4.977 8.522 8.567 1.00 0.39 C ATOM 1778 O ILE A 153 -6.018 8.361 7.934 1.00 0.43 O ATOM 1779 CB ILE A 153 -3.017 7.030 8.102 1.00 0.35 C ATOM 1780 CG1 ILE A 153 -1.760 6.852 7.253 1.00 0.39 C ATOM 1781 CG2 ILE A 153 -4.038 5.947 7.771 1.00 0.43 C ATOM 1782 CD1 ILE A 153 -1.083 5.515 7.449 1.00 0.47 C ATOM 0 H ILE A 153 -1.857 9.156 8.743 1.00 0.34 H new ATOM 0 HA ILE A 153 -3.741 8.586 6.809 1.00 0.35 H new ATOM 0 HB ILE A 153 -2.745 6.935 9.153 1.00 0.35 H new ATOM 0 HG12 ILE A 153 -2.023 6.966 6.201 1.00 0.39 H new ATOM 0 HG13 ILE A 153 -1.054 7.647 7.493 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -3.593 4.965 7.933 1.00 0.43 H new ATOM 0 HG22 ILE A 153 -4.910 6.060 8.415 1.00 0.43 H new ATOM 0 HG23 ILE A 153 -4.342 6.040 6.728 1.00 0.43 H new ATOM 0 HD11 ILE A 153 -0.198 5.459 6.815 1.00 0.47 H new ATOM 0 HD12 ILE A 153 -0.789 5.406 8.493 1.00 0.47 H new ATOM 0 HD13 ILE A 153 -1.773 4.715 7.181 1.00 0.47 H new ATOM 1794 N LYS A 154 -4.959 8.798 9.863 1.00 0.42 N ATOM 1795 CA LYS A 154 -6.198 8.970 10.614 1.00 0.50 C ATOM 1796 C LYS A 154 -6.907 10.259 10.196 1.00 0.56 C ATOM 1797 O LYS A 154 -8.122 10.377 10.318 1.00 0.64 O ATOM 1798 CB LYS A 154 -5.912 8.980 12.115 1.00 0.57 C ATOM 1799 CG LYS A 154 -5.210 7.722 12.601 1.00 1.42 C ATOM 1800 CD LYS A 154 -4.870 7.798 14.081 1.00 1.77 C ATOM 1801 CE LYS A 154 -6.114 7.795 14.959 1.00 2.57 C ATOM 1802 NZ LYS A 154 -6.941 6.578 14.753 1.00 3.43 N ATOM 0 H LYS A 154 -4.108 8.907 10.415 1.00 0.42 H new ATOM 0 HA LYS A 154 -6.856 8.130 10.391 1.00 0.50 H new ATOM 0 HB2 LYS A 154 -5.297 9.847 12.355 1.00 0.57 H new ATOM 0 HB3 LYS A 154 -6.851 9.096 12.656 1.00 0.57 H new ATOM 0 HG2 LYS A 154 -5.848 6.857 12.419 1.00 1.42 H new ATOM 0 HG3 LYS A 154 -4.296 7.571 12.026 1.00 1.42 H new ATOM 0 HD2 LYS A 154 -4.236 6.953 14.350 1.00 1.77 H new ATOM 0 HD3 LYS A 154 -4.294 8.703 14.273 1.00 1.77 H new ATOM 0 HE2 LYS A 154 -5.818 7.859 16.006 1.00 2.57 H new ATOM 0 HE3 LYS A 154 -6.712 8.680 14.742 1.00 2.57 H new ATOM 0 HZ1 LYS A 154 -7.614 6.479 15.539 1.00 3.43 H new ATOM 0 HZ2 LYS A 154 -7.464 6.661 13.858 1.00 3.43 H new ATOM 0 HZ3 LYS A 154 -6.324 5.741 14.717 1.00 3.43 H new ATOM 1816 N ARG A 155 -6.138 11.217 9.700 1.00 0.54 N ATOM 1817 CA ARG A 155 -6.690 12.448 9.140 1.00 0.63 C ATOM 1818 C ARG A 155 -7.275 12.174 7.759 1.00 0.66 C ATOM 1819 O ARG A 155 -8.330 12.685 7.391 1.00 0.80 O ATOM 1820 CB ARG A 155 -5.598 13.501 9.029 1.00 0.65 C ATOM 1821 CG ARG A 155 -6.087 14.842 8.514 1.00 1.21 C ATOM 1822 CD ARG A 155 -4.942 15.826 8.394 1.00 1.31 C ATOM 1823 NE ARG A 155 -5.353 17.080 7.771 1.00 2.28 N ATOM 1824 CZ ARG A 155 -4.694 18.229 7.896 1.00 2.71 C ATOM 1825 NH1 ARG A 155 -3.583 18.293 8.620 1.00 2.34 N ATOM 1826 NH2 ARG A 155 -5.155 19.313 7.291 1.00 3.70 N ATOM 0 H ARG A 155 -5.120 11.167 9.673 1.00 0.54 H new ATOM 0 HA ARG A 155 -7.478 12.813 9.799 1.00 0.63 H new ATOM 0 HB2 ARG A 155 -5.143 13.643 10.009 1.00 0.65 H new ATOM 0 HB3 ARG A 155 -4.816 13.131 8.365 1.00 0.65 H new ATOM 0 HG2 ARG A 155 -6.562 14.711 7.542 1.00 1.21 H new ATOM 0 HG3 ARG A 155 -6.845 15.241 9.188 1.00 1.21 H new ATOM 0 HD2 ARG A 155 -4.536 16.031 9.385 1.00 1.31 H new ATOM 0 HD3 ARG A 155 -4.140 15.377 7.808 1.00 1.31 H new ATOM 0 HE ARG A 155 -6.200 17.075 7.203 1.00 2.28 H new ATOM 0 HH11 ARG A 155 -3.229 17.457 9.085 1.00 2.34 H new ATOM 0 HH12 ARG A 155 -3.084 19.178 8.711 1.00 2.34 H new ATOM 0 HH21 ARG A 155 -6.009 19.263 6.735 1.00 3.70 H new ATOM 0 HH22 ARG A 155 -4.657 20.198 7.381 1.00 3.70 H new ATOM 1840 N GLN A 156 -6.568 11.344 7.012 1.00 0.58 N ATOM 1841 CA GLN A 156 -6.940 10.978 5.658 1.00 0.70 C ATOM 1842 C GLN A 156 -8.156 10.055 5.659 1.00 0.67 C ATOM 1843 O GLN A 156 -8.858 9.930 4.654 1.00 0.80 O ATOM 1844 CB GLN A 156 -5.744 10.309 4.979 1.00 0.77 C ATOM 1845 CG GLN A 156 -4.567 11.258 4.790 1.00 0.85 C ATOM 1846 CD GLN A 156 -4.807 12.254 3.675 1.00 1.05 C ATOM 1847 OE1 GLN A 156 -5.315 13.350 3.905 1.00 1.88 O ATOM 1848 NE2 GLN A 156 -4.456 11.871 2.461 1.00 0.92 N ATOM 0 H GLN A 156 -5.708 10.900 7.334 1.00 0.58 H new ATOM 0 HA GLN A 156 -7.215 11.874 5.102 1.00 0.70 H new ATOM 0 HB2 GLN A 156 -5.424 9.455 5.576 1.00 0.77 H new ATOM 0 HB3 GLN A 156 -6.053 9.922 4.008 1.00 0.77 H new ATOM 0 HG2 GLN A 156 -4.383 11.795 5.721 1.00 0.85 H new ATOM 0 HG3 GLN A 156 -3.669 10.681 4.572 1.00 0.85 H new ATOM 0 HE21 GLN A 156 -4.038 10.952 2.317 1.00 0.92 H new ATOM 0 HE22 GLN A 156 -4.603 12.494 1.667 1.00 0.92 H new ATOM 1857 N LYS A 157 -8.406 9.420 6.801 1.00 0.55 N ATOM 1858 CA LYS A 157 -9.547 8.527 6.945 1.00 0.54 C ATOM 1859 C LYS A 157 -10.772 9.286 7.458 1.00 0.62 C ATOM 1860 O LYS A 157 -11.835 8.699 7.677 1.00 0.67 O ATOM 1861 CB LYS A 157 -9.216 7.338 7.855 1.00 0.50 C ATOM 1862 CG LYS A 157 -9.208 7.657 9.334 1.00 0.81 C ATOM 1863 CD LYS A 157 -9.118 6.387 10.169 1.00 1.02 C ATOM 1864 CE LYS A 157 -7.937 5.528 9.746 1.00 0.68 C ATOM 1865 NZ LYS A 157 -7.840 4.273 10.538 1.00 0.90 N ATOM 0 H LYS A 157 -7.832 9.509 7.639 1.00 0.55 H new ATOM 0 HA LYS A 157 -9.783 8.130 5.958 1.00 0.54 H new ATOM 0 HB2 LYS A 157 -9.941 6.545 7.672 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -8.238 6.946 7.576 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -8.364 8.308 9.564 1.00 0.81 H new ATOM 0 HG3 LYS A 157 -10.113 8.205 9.596 1.00 0.81 H new ATOM 0 HD2 LYS A 157 -9.021 6.649 11.223 1.00 1.02 H new ATOM 0 HD3 LYS A 157 -10.041 5.816 10.066 1.00 1.02 H new ATOM 0 HE2 LYS A 157 -8.030 5.281 8.688 1.00 0.68 H new ATOM 0 HE3 LYS A 157 -7.016 6.099 9.860 1.00 0.68 H new ATOM 0 HZ1 LYS A 157 -7.021 3.721 10.214 1.00 0.90 H new ATOM 0 HZ2 LYS A 157 -7.724 4.506 11.545 1.00 0.90 H new ATOM 0 HZ3 LYS A 157 -8.707 3.714 10.410 1.00 0.90 H new ATOM 1879 N GLN A 158 -10.615 10.585 7.678 1.00 0.74 N ATOM 1880 CA GLN A 158 -11.727 11.430 8.062 1.00 0.91 C ATOM 1881 C GLN A 158 -12.520 11.841 6.827 1.00 1.15 C ATOM 1882 O GLN A 158 -13.552 11.201 6.543 1.00 1.78 O ATOM 1883 CB GLN A 158 -11.228 12.667 8.799 1.00 1.18 C ATOM 1884 CG GLN A 158 -10.479 12.353 10.081 1.00 1.48 C ATOM 1885 CD GLN A 158 -10.011 13.597 10.805 1.00 1.88 C ATOM 1886 OE1 GLN A 158 -8.915 14.100 10.557 1.00 2.12 O ATOM 1887 NE2 GLN A 158 -10.834 14.103 11.707 1.00 2.52 N ATOM 0 H GLN A 158 -9.723 11.073 7.595 1.00 0.74 H new ATOM 0 HA GLN A 158 -12.377 10.867 8.731 1.00 0.91 H new ATOM 0 HB2 GLN A 158 -10.574 13.235 8.137 1.00 1.18 H new ATOM 0 HB3 GLN A 158 -12.078 13.307 9.033 1.00 1.18 H new ATOM 0 HG2 GLN A 158 -11.125 11.775 10.742 1.00 1.48 H new ATOM 0 HG3 GLN A 158 -9.617 11.727 9.849 1.00 1.48 H new ATOM 0 HE21 GLN A 158 -11.734 13.657 11.884 1.00 2.52 H new ATOM 0 HE22 GLN A 158 -10.569 14.940 12.226 1.00 2.52 H new