USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 676 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 68 MET CE :methyl 172:sc= -0.822 (180deg=-0.949) USER MOD Set 1.2: A 72 GLN : amide:sc= -0.289 K(o=-1.1,f=-2.4) USER MOD Set 2.1: A 7 SER OG : rot -100:sc= -0.327 USER MOD Set 2.2: A 56 GLN : amide:sc= -2.83! C(o=-3.2!,f=-5.4!) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0167) USER MOD Single : A 6 SER OG : rot 122:sc= -2.06 USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.133) USER MOD Single : A 19 THR OG1 : rot -147:sc= -0.213 USER MOD Single : A 21 MET CE :methyl 150:sc= -7.01! (180deg=-11.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -56:sc= 1.07 USER MOD Single : A 32 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.46) USER MOD Single : A 40 SER OG : rot 29:sc= 0.423 USER MOD Single : A 41 SER OG : rot -120:sc= -3.4! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= -0.0115 (180deg=-0.432) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -4.07! C(o=-4.1!,f=-3.5!) USER MOD Single : A 57 CYS SG : rot 4:sc= -0.295 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 130:sc= -0.108 USER MOD Single : A 74 THR OG1 : rot -40:sc= 0.798 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -2.13! C(o=-2.1!,f=-2.4!) USER MOD Single : A 82 SER OG : rot 66:sc= 1.23 USER MOD Single : A 83 MET CE :methyl 151:sc= -6.3! (180deg=-10.6!) USER MOD Single : A 89 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.61) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 7.569 0.002 -0.108 1.00 0.00 N ATOM 66 CA LYS A 5 6.381 -0.785 0.178 1.00 0.00 C ATOM 67 C LYS A 5 5.885 -1.438 -1.113 1.00 0.00 C ATOM 68 O LYS A 5 6.430 -1.190 -2.188 1.00 0.00 O ATOM 69 CB LYS A 5 5.326 0.073 0.879 1.00 0.00 C ATOM 70 CG LYS A 5 5.678 0.279 2.353 1.00 0.00 C ATOM 71 CD LYS A 5 4.980 -0.759 3.234 1.00 0.00 C ATOM 72 CE LYS A 5 5.315 -0.539 4.711 1.00 0.00 C ATOM 73 NZ LYS A 5 4.574 0.627 5.242 1.00 0.00 N ATOM 0 HA LYS A 5 6.616 -1.591 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.249 1.040 0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.350 -0.406 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.757 0.207 2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.384 1.282 2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.901 -0.698 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.286 -1.761 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.061 -1.431 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.387 -0.380 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.760 0.722 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.886 1.489 4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.555 0.490 5.087 1.00 0.00 H new ATOM 87 N SER A 6 4.855 -2.259 -0.967 1.00 0.00 N ATOM 88 CA SER A 6 4.279 -2.950 -2.108 1.00 0.00 C ATOM 89 C SER A 6 2.776 -3.144 -1.897 1.00 0.00 C ATOM 90 O SER A 6 2.319 -3.293 -0.766 1.00 0.00 O ATOM 91 CB SER A 6 4.962 -4.299 -2.338 1.00 0.00 C ATOM 92 OG SER A 6 5.823 -4.652 -1.258 1.00 0.00 O ATOM 0 H SER A 6 4.404 -2.461 -0.075 1.00 0.00 H new ATOM 0 HA SER A 6 4.439 -2.338 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.204 -5.072 -2.465 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.537 -4.261 -3.263 1.00 0.00 H new ATOM 0 HG SER A 6 5.540 -5.511 -0.882 1.00 0.00 H new ATOM 98 N SER A 7 2.050 -3.135 -3.006 1.00 0.00 N ATOM 99 CA SER A 7 0.609 -3.309 -2.957 1.00 0.00 C ATOM 100 C SER A 7 0.258 -4.797 -3.012 1.00 0.00 C ATOM 101 O SER A 7 0.969 -5.583 -3.637 1.00 0.00 O ATOM 102 CB SER A 7 -0.076 -2.560 -4.103 1.00 0.00 C ATOM 103 OG SER A 7 -1.439 -2.268 -3.811 1.00 0.00 O ATOM 0 H SER A 7 2.433 -3.010 -3.943 1.00 0.00 H new ATOM 0 HA SER A 7 0.247 -2.892 -2.017 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.459 -1.631 -4.300 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.020 -3.159 -5.012 1.00 0.00 H new ATOM 0 HG SER A 7 -2.017 -2.921 -4.258 1.00 0.00 H new ATOM 109 N ILE A 8 -0.837 -5.139 -2.350 1.00 0.00 N ATOM 110 CA ILE A 8 -1.290 -6.520 -2.315 1.00 0.00 C ATOM 111 C ILE A 8 -2.817 -6.552 -2.387 1.00 0.00 C ATOM 112 O ILE A 8 -3.496 -6.281 -1.396 1.00 0.00 O ATOM 113 CB ILE A 8 -0.716 -7.241 -1.094 1.00 0.00 C ATOM 114 CG1 ILE A 8 0.787 -6.987 -0.964 1.00 0.00 C ATOM 115 CG2 ILE A 8 -1.043 -8.735 -1.138 1.00 0.00 C ATOM 116 CD1 ILE A 8 1.567 -7.738 -2.044 1.00 0.00 C ATOM 0 H ILE A 8 -1.424 -4.484 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.918 -7.066 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.190 -6.833 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.987 -5.918 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.129 -7.303 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.624 -9.225 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.124 -8.871 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.614 -9.175 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.632 -7.539 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.385 -8.808 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.241 -7.402 -3.028 1.00 0.00 H new ATOM 128 N LEU A 9 -3.316 -6.886 -3.568 1.00 0.00 N ATOM 129 CA LEU A 9 -4.752 -6.957 -3.781 1.00 0.00 C ATOM 130 C LEU A 9 -5.173 -8.424 -3.899 1.00 0.00 C ATOM 131 O LEU A 9 -4.990 -9.044 -4.946 1.00 0.00 O ATOM 132 CB LEU A 9 -5.158 -6.103 -4.983 1.00 0.00 C ATOM 133 CG LEU A 9 -6.654 -5.815 -5.127 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.082 -4.668 -4.210 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.023 -5.549 -6.587 1.00 0.00 C ATOM 0 H LEU A 9 -2.752 -7.110 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.285 -6.539 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.629 -5.152 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.815 -6.601 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.204 -6.702 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.149 -4.484 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.876 -4.935 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.526 -3.767 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.092 -5.347 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.465 -4.687 -6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.776 -6.423 -7.190 1.00 0.00 H new ATOM 147 N LEU A 10 -5.730 -8.935 -2.811 1.00 0.00 N ATOM 148 CA LEU A 10 -6.178 -10.317 -2.779 1.00 0.00 C ATOM 149 C LEU A 10 -7.691 -10.363 -3.004 1.00 0.00 C ATOM 150 O LEU A 10 -8.428 -9.541 -2.461 1.00 0.00 O ATOM 151 CB LEU A 10 -5.729 -10.996 -1.484 1.00 0.00 C ATOM 152 CG LEU A 10 -4.217 -11.078 -1.260 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.825 -10.431 0.069 1.00 0.00 C ATOM 154 CD2 LEU A 10 -3.724 -12.523 -1.362 1.00 0.00 C ATOM 0 H LEU A 10 -5.881 -8.417 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.717 -10.886 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.172 -10.461 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.134 -12.008 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.723 -10.514 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.746 -10.503 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.121 -9.382 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.328 -10.947 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.647 -12.552 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.222 -13.131 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.952 -12.916 -2.353 1.00 0.00 H new ATOM 166 N ASP A 11 -8.110 -11.331 -3.805 1.00 0.00 N ATOM 167 CA ASP A 11 -9.521 -11.495 -4.107 1.00 0.00 C ATOM 168 C ASP A 11 -9.983 -12.875 -3.635 1.00 0.00 C ATOM 169 O ASP A 11 -9.737 -13.879 -4.303 1.00 0.00 O ATOM 170 CB ASP A 11 -9.776 -11.401 -5.613 1.00 0.00 C ATOM 171 CG ASP A 11 -10.974 -10.538 -6.014 1.00 0.00 C ATOM 172 OD1 ASP A 11 -12.106 -10.915 -5.524 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.832 -9.555 -6.756 1.00 0.00 O ATOM 0 H ASP A 11 -7.496 -12.010 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.069 -10.702 -3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.883 -11.001 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.925 -12.407 -6.004 1.00 0.00 H new ATOM 178 N VAL A 12 -10.645 -12.881 -2.487 1.00 0.00 N ATOM 179 CA VAL A 12 -11.143 -14.122 -1.917 1.00 0.00 C ATOM 180 C VAL A 12 -12.554 -14.389 -2.445 1.00 0.00 C ATOM 181 O VAL A 12 -13.266 -13.460 -2.823 1.00 0.00 O ATOM 182 CB VAL A 12 -11.078 -14.059 -0.390 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.713 -15.302 0.237 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.636 -13.880 0.090 1.00 0.00 C ATOM 0 H VAL A 12 -10.848 -12.047 -1.936 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.517 -14.961 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.650 -13.190 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.654 -15.232 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.758 -15.369 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.180 -16.192 -0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.618 -13.838 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.032 -14.721 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.230 -12.953 -0.316 1.00 0.00 H new ATOM 194 N LYS A 13 -12.916 -15.664 -2.455 1.00 0.00 N ATOM 195 CA LYS A 13 -14.230 -16.065 -2.929 1.00 0.00 C ATOM 196 C LYS A 13 -15.038 -16.631 -1.761 1.00 0.00 C ATOM 197 O LYS A 13 -14.569 -17.515 -1.046 1.00 0.00 O ATOM 198 CB LYS A 13 -14.100 -17.028 -4.112 1.00 0.00 C ATOM 199 CG LYS A 13 -15.378 -17.037 -4.954 1.00 0.00 C ATOM 200 CD LYS A 13 -16.311 -18.170 -4.523 1.00 0.00 C ATOM 201 CE LYS A 13 -17.690 -18.018 -5.166 1.00 0.00 C ATOM 202 NZ LYS A 13 -17.580 -18.044 -6.642 1.00 0.00 N ATOM 0 H LYS A 13 -12.322 -16.432 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.779 -15.203 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.253 -16.735 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.894 -18.034 -3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.891 -16.081 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.123 -17.152 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.878 -19.130 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.410 -18.172 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.345 -18.822 -4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.146 -17.081 -4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.529 -18.127 -7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.133 -17.165 -6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.001 -18.858 -6.933 1.00 0.00 H new ATOM 216 N PRO A 14 -16.273 -16.084 -1.598 1.00 0.00 N ATOM 217 CA PRO A 14 -17.152 -16.525 -0.529 1.00 0.00 C ATOM 218 C PRO A 14 -17.763 -17.891 -0.848 1.00 0.00 C ATOM 219 O PRO A 14 -18.196 -18.133 -1.974 1.00 0.00 O ATOM 220 CB PRO A 14 -18.194 -15.426 -0.398 1.00 0.00 C ATOM 221 CG PRO A 14 -18.137 -14.639 -1.697 1.00 0.00 C ATOM 222 CD PRO A 14 -16.863 -15.035 -2.426 1.00 0.00 C ATOM 0 HA PRO A 14 -16.625 -16.672 0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.187 -15.847 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.979 -14.785 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.011 -14.853 -2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.144 -13.568 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.078 -15.398 -3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.187 -14.186 -2.531 1.00 0.00 H new ATOM 230 N TRP A 15 -17.776 -18.748 0.162 1.00 0.00 N ATOM 231 CA TRP A 15 -18.325 -20.083 0.003 1.00 0.00 C ATOM 232 C TRP A 15 -19.660 -19.961 -0.736 1.00 0.00 C ATOM 233 O TRP A 15 -19.983 -20.792 -1.583 1.00 0.00 O ATOM 234 CB TRP A 15 -18.453 -20.789 1.355 1.00 0.00 C ATOM 235 CG TRP A 15 -17.472 -21.947 1.548 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.768 -22.257 2.645 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.111 -22.941 0.565 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.984 -23.375 2.443 1.00 0.00 N ATOM 239 CE2 TRP A 15 -16.199 -23.804 1.139 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.542 -23.106 -0.763 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.640 -24.892 0.457 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.974 -24.198 -1.430 1.00 0.00 C ATOM 243 CH2 TRP A 15 -16.054 -25.075 -0.868 1.00 0.00 C ATOM 0 H TRP A 15 -17.415 -18.543 1.094 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.655 -20.707 -0.589 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.299 -20.060 2.150 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.470 -21.166 1.461 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.809 -21.702 3.571 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.361 -23.807 3.126 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.255 -22.443 -1.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.928 -25.554 0.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.272 -24.371 -2.454 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.660 -25.894 -1.451 1.00 0.00 H new ATOM 254 N ASP A 16 -20.398 -18.918 -0.388 1.00 0.00 N ATOM 255 CA ASP A 16 -21.690 -18.675 -1.007 1.00 0.00 C ATOM 256 C ASP A 16 -22.300 -17.399 -0.424 1.00 0.00 C ATOM 257 O ASP A 16 -21.711 -16.772 0.456 1.00 0.00 O ATOM 258 CB ASP A 16 -22.658 -19.829 -0.733 1.00 0.00 C ATOM 259 CG ASP A 16 -23.364 -20.389 -1.970 1.00 0.00 C ATOM 260 OD1 ASP A 16 -24.218 -19.722 -2.573 1.00 0.00 O ATOM 261 OD2 ASP A 16 -23.000 -21.577 -2.314 1.00 0.00 O ATOM 0 H ASP A 16 -20.126 -18.231 0.315 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.535 -18.580 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.109 -20.637 -0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.414 -19.489 -0.025 1.00 0.00 H new ATOM 266 N ASP A 17 -23.471 -17.053 -0.937 1.00 0.00 N ATOM 267 CA ASP A 17 -24.166 -15.863 -0.478 1.00 0.00 C ATOM 268 C ASP A 17 -24.237 -15.876 1.051 1.00 0.00 C ATOM 269 O ASP A 17 -24.370 -14.826 1.679 1.00 0.00 O ATOM 270 CB ASP A 17 -25.597 -15.818 -1.017 1.00 0.00 C ATOM 271 CG ASP A 17 -26.583 -15.013 -0.169 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.308 -13.867 0.215 1.00 0.00 O ATOM 273 OD2 ASP A 17 -27.691 -15.618 0.102 1.00 0.00 O ATOM 0 H ASP A 17 -23.956 -17.576 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.617 -14.993 -0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.577 -15.397 -2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.968 -16.839 -1.107 1.00 0.00 H new ATOM 278 N GLU A 18 -24.144 -17.075 1.604 1.00 0.00 N ATOM 279 CA GLU A 18 -24.197 -17.239 3.048 1.00 0.00 C ATOM 280 C GLU A 18 -22.966 -16.604 3.699 1.00 0.00 C ATOM 281 O GLU A 18 -23.072 -15.977 4.752 1.00 0.00 O ATOM 282 CB GLU A 18 -24.316 -18.716 3.428 1.00 0.00 C ATOM 283 CG GLU A 18 -23.029 -19.474 3.095 1.00 0.00 C ATOM 284 CD GLU A 18 -23.250 -20.987 3.164 1.00 0.00 C ATOM 285 OE1 GLU A 18 -23.679 -21.525 2.074 1.00 0.00 O ATOM 286 OE2 GLU A 18 -23.018 -21.599 4.218 1.00 0.00 O ATOM 0 H GLU A 18 -24.032 -17.943 1.080 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.086 -16.729 3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.529 -18.805 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.155 -19.165 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.688 -19.198 2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.242 -19.186 3.792 1.00 0.00 H new ATOM 293 N THR A 19 -21.829 -16.787 3.044 1.00 0.00 N ATOM 294 CA THR A 19 -20.580 -16.239 3.547 1.00 0.00 C ATOM 295 C THR A 19 -20.671 -14.716 3.654 1.00 0.00 C ATOM 296 O THR A 19 -20.603 -14.014 2.646 1.00 0.00 O ATOM 297 CB THR A 19 -19.452 -16.717 2.631 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.185 -18.045 3.074 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.139 -15.971 2.879 1.00 0.00 C ATOM 0 H THR A 19 -21.746 -17.306 2.170 1.00 0.00 H new ATOM 0 HA THR A 19 -20.371 -16.593 4.557 1.00 0.00 H new ATOM 0 HB THR A 19 -19.751 -16.589 1.591 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.231 -18.241 2.965 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.372 -16.349 2.203 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.287 -14.906 2.701 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.822 -16.126 3.910 1.00 0.00 H new ATOM 307 N ASP A 20 -20.825 -14.249 4.884 1.00 0.00 N ATOM 308 CA ASP A 20 -20.925 -12.822 5.136 1.00 0.00 C ATOM 309 C ASP A 20 -19.784 -12.099 4.418 1.00 0.00 C ATOM 310 O ASP A 20 -18.689 -12.641 4.283 1.00 0.00 O ATOM 311 CB ASP A 20 -20.811 -12.516 6.631 1.00 0.00 C ATOM 312 CG ASP A 20 -22.040 -11.848 7.250 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.351 -10.702 6.746 1.00 0.00 O ATOM 314 OD2 ASP A 20 -22.669 -12.395 8.169 1.00 0.00 O ATOM 0 H ASP A 20 -20.883 -14.834 5.717 1.00 0.00 H new ATOM 0 HA ASP A 20 -21.895 -12.484 4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.616 -13.447 7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.947 -11.871 6.790 1.00 0.00 H new ATOM 319 N MET A 21 -20.081 -10.887 3.974 1.00 0.00 N ATOM 320 CA MET A 21 -19.093 -10.084 3.272 1.00 0.00 C ATOM 321 C MET A 21 -18.607 -8.925 4.145 1.00 0.00 C ATOM 322 O MET A 21 -17.637 -8.250 3.804 1.00 0.00 O ATOM 323 CB MET A 21 -19.706 -9.530 1.983 1.00 0.00 C ATOM 324 CG MET A 21 -20.657 -10.547 1.349 1.00 0.00 C ATOM 325 SD MET A 21 -19.732 -11.936 0.714 1.00 0.00 S ATOM 326 CE MET A 21 -18.988 -11.182 -0.723 1.00 0.00 C ATOM 0 H MET A 21 -20.991 -10.441 4.086 1.00 0.00 H new ATOM 0 HA MET A 21 -18.239 -10.719 3.035 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.245 -8.608 2.199 1.00 0.00 H new ATOM 0 HB3 MET A 21 -18.914 -9.278 1.278 1.00 0.00 H new ATOM 0 HG2 MET A 21 -21.381 -10.889 2.088 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.221 -10.077 0.544 1.00 0.00 H new ATOM 0 HE1 MET A 21 -18.029 -11.657 -0.928 1.00 0.00 H new ATOM 0 HE2 MET A 21 -19.646 -11.309 -1.582 1.00 0.00 H new ATOM 0 HE3 MET A 21 -18.834 -10.119 -0.538 1.00 0.00 H new ATOM 336 N ALA A 22 -19.303 -8.731 5.255 1.00 0.00 N ATOM 337 CA ALA A 22 -18.955 -7.665 6.180 1.00 0.00 C ATOM 338 C ALA A 22 -17.842 -8.149 7.113 1.00 0.00 C ATOM 339 O ALA A 22 -16.779 -7.536 7.186 1.00 0.00 O ATOM 340 CB ALA A 22 -20.205 -7.223 6.943 1.00 0.00 C ATOM 0 H ALA A 22 -20.106 -9.294 5.535 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.578 -6.796 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -19.944 -6.424 7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -20.953 -6.861 6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.610 -8.068 7.499 1.00 0.00 H new ATOM 346 N LYS A 23 -18.127 -9.244 7.802 1.00 0.00 N ATOM 347 CA LYS A 23 -17.164 -9.817 8.727 1.00 0.00 C ATOM 348 C LYS A 23 -15.908 -10.232 7.957 1.00 0.00 C ATOM 349 O LYS A 23 -14.790 -9.967 8.397 1.00 0.00 O ATOM 350 CB LYS A 23 -17.800 -10.956 9.525 1.00 0.00 C ATOM 351 CG LYS A 23 -18.559 -10.418 10.740 1.00 0.00 C ATOM 352 CD LYS A 23 -18.010 -11.013 12.038 1.00 0.00 C ATOM 353 CE LYS A 23 -18.487 -10.214 13.252 1.00 0.00 C ATOM 354 NZ LYS A 23 -18.659 -11.103 14.422 1.00 0.00 N ATOM 0 H LYS A 23 -19.011 -9.749 7.738 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.856 -9.075 9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.481 -11.517 8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.027 -11.651 9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.478 -9.331 10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.618 -10.657 10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.332 -12.050 12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.920 -11.019 12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.766 -9.431 13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.431 -9.720 13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.983 -10.545 15.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.364 -11.835 14.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.751 -11.555 14.651 1.00 0.00 H new ATOM 368 N LEU A 24 -16.135 -10.875 6.821 1.00 0.00 N ATOM 369 CA LEU A 24 -15.036 -11.329 5.986 1.00 0.00 C ATOM 370 C LEU A 24 -14.156 -10.134 5.615 1.00 0.00 C ATOM 371 O LEU A 24 -12.929 -10.232 5.635 1.00 0.00 O ATOM 372 CB LEU A 24 -15.566 -12.101 4.777 1.00 0.00 C ATOM 373 CG LEU A 24 -14.869 -13.429 4.471 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.734 -14.307 3.565 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.476 -13.194 3.882 1.00 0.00 C ATOM 0 H LEU A 24 -17.064 -11.092 6.459 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.407 -12.031 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.627 -12.298 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.486 -11.461 3.899 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.735 -13.968 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.215 -15.244 3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.683 -14.517 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.922 -13.787 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.002 -14.153 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.563 -12.624 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.869 -12.637 4.595 1.00 0.00 H new ATOM 387 N GLU A 25 -14.816 -9.033 5.285 1.00 0.00 N ATOM 388 CA GLU A 25 -14.109 -7.820 4.910 1.00 0.00 C ATOM 389 C GLU A 25 -13.521 -7.144 6.150 1.00 0.00 C ATOM 390 O GLU A 25 -12.314 -6.915 6.224 1.00 0.00 O ATOM 391 CB GLU A 25 -15.027 -6.864 4.148 1.00 0.00 C ATOM 392 CG GLU A 25 -14.260 -5.628 3.673 1.00 0.00 C ATOM 393 CD GLU A 25 -15.208 -4.454 3.428 1.00 0.00 C ATOM 394 OE1 GLU A 25 -15.826 -4.025 4.476 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.338 -3.988 2.286 1.00 0.00 O ATOM 0 H GLU A 25 -15.833 -8.956 5.270 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.289 -8.091 4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.462 -7.378 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.853 -6.559 4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.516 -5.349 4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.720 -5.861 2.755 1.00 0.00 H new ATOM 402 N GLU A 26 -14.400 -6.843 7.094 1.00 0.00 N ATOM 403 CA GLU A 26 -13.983 -6.197 8.327 1.00 0.00 C ATOM 404 C GLU A 26 -12.896 -7.023 9.018 1.00 0.00 C ATOM 405 O GLU A 26 -11.984 -6.469 9.628 1.00 0.00 O ATOM 406 CB GLU A 26 -15.176 -5.973 9.259 1.00 0.00 C ATOM 407 CG GLU A 26 -15.394 -7.181 10.172 1.00 0.00 C ATOM 408 CD GLU A 26 -14.558 -7.062 11.448 1.00 0.00 C ATOM 409 OE1 GLU A 26 -14.876 -6.244 12.323 1.00 0.00 O ATOM 410 OE2 GLU A 26 -13.546 -7.860 11.511 1.00 0.00 O ATOM 0 H GLU A 26 -15.400 -7.035 7.030 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.568 -5.220 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.007 -5.082 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.074 -5.792 8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.450 -7.260 10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.127 -8.095 9.642 1.00 0.00 H new ATOM 417 N CYS A 27 -13.030 -8.336 8.899 1.00 0.00 N ATOM 418 CA CYS A 27 -12.071 -9.244 9.504 1.00 0.00 C ATOM 419 C CYS A 27 -10.728 -9.068 8.793 1.00 0.00 C ATOM 420 O CYS A 27 -9.703 -8.849 9.439 1.00 0.00 O ATOM 421 CB CYS A 27 -12.556 -10.695 9.456 1.00 0.00 C ATOM 422 SG CYS A 27 -11.284 -11.805 10.162 1.00 0.00 S ATOM 0 H CYS A 27 -13.789 -8.792 8.392 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.956 -9.003 10.561 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.487 -10.794 10.014 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.769 -10.982 8.426 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.707 -13.033 10.118 1.00 0.00 H new ATOM 428 N VAL A 28 -10.775 -9.169 7.473 1.00 0.00 N ATOM 429 CA VAL A 28 -9.575 -9.023 6.667 1.00 0.00 C ATOM 430 C VAL A 28 -8.824 -7.763 7.103 1.00 0.00 C ATOM 431 O VAL A 28 -7.596 -7.761 7.175 1.00 0.00 O ATOM 432 CB VAL A 28 -9.939 -9.017 5.182 1.00 0.00 C ATOM 433 CG1 VAL A 28 -8.906 -8.238 4.366 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.093 -10.443 4.650 1.00 0.00 C ATOM 0 H VAL A 28 -11.626 -9.350 6.941 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.907 -9.870 6.820 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.899 -8.513 5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.190 -8.250 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.865 -7.208 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.926 -8.701 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.352 -10.411 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.154 -10.982 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.883 -10.954 5.201 1.00 0.00 H new ATOM 444 N ARG A 29 -9.593 -6.720 7.383 1.00 0.00 N ATOM 445 CA ARG A 29 -9.015 -5.457 7.809 1.00 0.00 C ATOM 446 C ARG A 29 -8.541 -5.554 9.260 1.00 0.00 C ATOM 447 O ARG A 29 -7.420 -5.161 9.579 1.00 0.00 O ATOM 448 CB ARG A 29 -10.029 -4.318 7.686 1.00 0.00 C ATOM 449 CG ARG A 29 -9.333 -2.998 7.349 1.00 0.00 C ATOM 450 CD ARG A 29 -9.990 -1.829 8.084 1.00 0.00 C ATOM 451 NE ARG A 29 -9.193 -1.468 9.278 1.00 0.00 N ATOM 452 CZ ARG A 29 -9.273 -0.287 9.906 1.00 0.00 C ATOM 453 NH1 ARG A 29 -10.114 0.654 9.458 1.00 0.00 N ATOM 454 NH2 ARG A 29 -8.511 -0.048 10.982 1.00 0.00 N ATOM 0 H ARG A 29 -10.611 -6.724 7.323 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.166 -5.244 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.758 -4.557 6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.580 -4.214 8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.280 -3.058 7.622 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.374 -2.825 6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.072 -0.970 7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.003 -2.099 8.381 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.542 -2.162 9.646 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.694 0.472 8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.175 1.553 9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.870 -0.765 11.323 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.572 0.851 11.460 1.00 0.00 H new ATOM 468 N SER A 30 -9.418 -6.079 10.102 1.00 0.00 N ATOM 469 CA SER A 30 -9.104 -6.232 11.513 1.00 0.00 C ATOM 470 C SER A 30 -7.705 -6.831 11.675 1.00 0.00 C ATOM 471 O SER A 30 -6.929 -6.388 12.521 1.00 0.00 O ATOM 472 CB SER A 30 -10.141 -7.108 12.217 1.00 0.00 C ATOM 473 OG SER A 30 -9.832 -8.495 12.105 1.00 0.00 O ATOM 0 H SER A 30 -10.347 -6.404 9.835 1.00 0.00 H new ATOM 0 HA SER A 30 -9.127 -5.246 11.977 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.194 -6.832 13.270 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.125 -6.920 11.789 1.00 0.00 H new ATOM 0 HG SER A 30 -9.746 -8.736 11.159 1.00 0.00 H new ATOM 479 N ILE A 31 -7.425 -7.830 10.850 1.00 0.00 N ATOM 480 CA ILE A 31 -6.134 -8.494 10.891 1.00 0.00 C ATOM 481 C ILE A 31 -5.034 -7.452 11.107 1.00 0.00 C ATOM 482 O ILE A 31 -4.914 -6.503 10.333 1.00 0.00 O ATOM 483 CB ILE A 31 -5.932 -9.351 9.639 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.824 -10.593 9.675 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.456 -9.710 9.453 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.751 -11.359 8.352 1.00 0.00 C ATOM 0 H ILE A 31 -8.070 -8.195 10.150 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.088 -9.185 11.733 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.233 -8.764 8.771 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.515 -11.243 10.493 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.855 -10.299 9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.340 -10.319 8.557 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.870 -8.797 9.350 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.106 -10.270 10.320 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.394 -12.237 8.404 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.084 -10.714 7.539 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.723 -11.672 8.169 1.00 0.00 H new ATOM 498 N GLN A 32 -4.262 -7.663 12.162 1.00 0.00 N ATOM 499 CA GLN A 32 -3.177 -6.752 12.490 1.00 0.00 C ATOM 500 C GLN A 32 -1.826 -7.438 12.275 1.00 0.00 C ATOM 501 O GLN A 32 -1.651 -8.600 12.638 1.00 0.00 O ATOM 502 CB GLN A 32 -3.309 -6.237 13.923 1.00 0.00 C ATOM 503 CG GLN A 32 -2.368 -5.056 14.169 1.00 0.00 C ATOM 504 CD GLN A 32 -3.137 -3.734 14.178 1.00 0.00 C ATOM 505 OE1 GLN A 32 -4.213 -3.616 14.741 1.00 0.00 O ATOM 506 NE2 GLN A 32 -2.528 -2.749 13.525 1.00 0.00 N ATOM 0 H GLN A 32 -4.365 -8.451 12.801 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.236 -5.892 11.823 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.338 -5.932 14.110 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.082 -7.040 14.624 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.854 -5.188 15.121 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.602 -5.030 13.394 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.628 -2.915 13.075 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.961 -1.827 13.474 1.00 0.00 H new ATOM 515 N ALA A 33 -0.906 -6.690 11.685 1.00 0.00 N ATOM 516 CA ALA A 33 0.424 -7.210 11.418 1.00 0.00 C ATOM 517 C ALA A 33 1.424 -6.053 11.392 1.00 0.00 C ATOM 518 O ALA A 33 1.037 -4.895 11.242 1.00 0.00 O ATOM 519 CB ALA A 33 0.410 -7.998 10.106 1.00 0.00 C ATOM 0 H ALA A 33 -1.055 -5.727 11.384 1.00 0.00 H new ATOM 0 HA ALA A 33 0.734 -7.895 12.207 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.408 -8.388 9.905 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.294 -8.826 10.186 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.106 -7.342 9.291 1.00 0.00 H new ATOM 525 N ASP A 34 2.693 -6.407 11.541 1.00 0.00 N ATOM 526 CA ASP A 34 3.752 -5.412 11.537 1.00 0.00 C ATOM 527 C ASP A 34 3.909 -4.845 10.124 1.00 0.00 C ATOM 528 O ASP A 34 3.592 -5.517 9.144 1.00 0.00 O ATOM 529 CB ASP A 34 5.089 -6.029 11.949 1.00 0.00 C ATOM 530 CG ASP A 34 6.116 -5.040 12.504 1.00 0.00 C ATOM 531 OD1 ASP A 34 5.982 -3.819 12.334 1.00 0.00 O ATOM 532 OD2 ASP A 34 7.099 -5.576 13.144 1.00 0.00 O ATOM 0 H ASP A 34 3.011 -7.368 11.665 1.00 0.00 H new ATOM 0 HA ASP A 34 3.482 -4.630 12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.902 -6.795 12.702 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.522 -6.531 11.084 1.00 0.00 H new ATOM 537 N GLY A 35 4.396 -3.614 10.066 1.00 0.00 N ATOM 538 CA GLY A 35 4.599 -2.950 8.789 1.00 0.00 C ATOM 539 C GLY A 35 3.435 -3.228 7.836 1.00 0.00 C ATOM 540 O GLY A 35 3.619 -3.268 6.620 1.00 0.00 O ATOM 0 H GLY A 35 4.656 -3.059 10.882 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.697 -1.876 8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.531 -3.294 8.340 1.00 0.00 H new ATOM 544 N LEU A 36 2.262 -3.412 8.423 1.00 0.00 N ATOM 545 CA LEU A 36 1.067 -3.685 7.642 1.00 0.00 C ATOM 546 C LEU A 36 0.177 -2.441 7.628 1.00 0.00 C ATOM 547 O LEU A 36 -0.083 -1.848 8.674 1.00 0.00 O ATOM 548 CB LEU A 36 0.362 -4.941 8.160 1.00 0.00 C ATOM 549 CG LEU A 36 -0.870 -5.390 7.373 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.553 -6.614 6.511 1.00 0.00 C ATOM 551 CD2 LEU A 36 -2.056 -5.639 8.307 1.00 0.00 C ATOM 0 H LEU A 36 2.113 -3.377 9.431 1.00 0.00 H new ATOM 0 HA LEU A 36 1.330 -3.901 6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.081 -5.760 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.065 -4.767 9.194 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.156 -4.585 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.446 -6.913 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.241 -6.367 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.228 -7.435 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.919 -5.957 7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.797 -6.418 9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.298 -4.720 8.841 1.00 0.00 H new ATOM 563 N VAL A 37 -0.266 -2.083 6.432 1.00 0.00 N ATOM 564 CA VAL A 37 -1.123 -0.921 6.269 1.00 0.00 C ATOM 565 C VAL A 37 -2.386 -1.325 5.507 1.00 0.00 C ATOM 566 O VAL A 37 -2.331 -1.611 4.312 1.00 0.00 O ATOM 567 CB VAL A 37 -0.348 0.207 5.584 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.269 1.386 5.260 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.837 0.658 6.440 1.00 0.00 C ATOM 0 H VAL A 37 -0.048 -2.577 5.567 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.438 -0.540 7.240 1.00 0.00 H new ATOM 0 HB VAL A 37 0.046 -0.180 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.694 2.174 4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.065 1.054 4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.705 1.771 6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.370 1.460 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.474 1.018 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.512 -0.183 6.599 1.00 0.00 H new ATOM 579 N TRP A 38 -3.496 -1.339 6.231 1.00 0.00 N ATOM 580 CA TRP A 38 -4.771 -1.704 5.639 1.00 0.00 C ATOM 581 C TRP A 38 -5.317 -0.481 4.900 1.00 0.00 C ATOM 582 O TRP A 38 -5.787 0.469 5.524 1.00 0.00 O ATOM 583 CB TRP A 38 -5.735 -2.241 6.700 1.00 0.00 C ATOM 584 CG TRP A 38 -5.593 -3.740 6.968 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.442 -4.357 8.148 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.594 -4.795 5.982 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.347 -5.724 7.996 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.443 -6.000 6.637 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.721 -4.732 4.584 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.402 -7.233 5.975 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.679 -5.973 3.937 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.526 -7.194 4.581 1.00 0.00 C ATOM 0 H TRP A 38 -3.538 -1.103 7.222 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.645 -2.516 4.923 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.572 -1.699 7.632 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.758 -2.034 6.385 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.400 -3.847 9.099 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.228 -6.408 8.744 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.841 -3.800 4.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.281 -8.163 6.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.772 -5.981 2.861 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.503 -8.110 4.009 1.00 0.00 H new ATOM 603 N GLY A 39 -5.238 -0.545 3.578 1.00 0.00 N ATOM 604 CA GLY A 39 -5.718 0.546 2.746 1.00 0.00 C ATOM 605 C GLY A 39 -7.240 0.679 2.841 1.00 0.00 C ATOM 606 O GLY A 39 -7.756 1.290 3.776 1.00 0.00 O ATOM 0 H GLY A 39 -4.849 -1.335 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.248 1.479 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.428 0.372 1.710 1.00 0.00 H new ATOM 610 N SER A 40 -7.916 0.096 1.862 1.00 0.00 N ATOM 611 CA SER A 40 -9.367 0.141 1.823 1.00 0.00 C ATOM 612 C SER A 40 -9.907 -1.042 1.017 1.00 0.00 C ATOM 613 O SER A 40 -9.445 -1.303 -0.093 1.00 0.00 O ATOM 614 CB SER A 40 -9.861 1.461 1.227 1.00 0.00 C ATOM 615 OG SER A 40 -9.954 2.489 2.208 1.00 0.00 O ATOM 0 H SER A 40 -7.485 -0.411 1.089 1.00 0.00 H new ATOM 0 HA SER A 40 -9.739 0.074 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.183 1.777 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.838 1.308 0.768 1.00 0.00 H new ATOM 0 HG SER A 40 -9.298 2.324 2.918 1.00 0.00 H new ATOM 621 N SER A 41 -10.876 -1.725 1.606 1.00 0.00 N ATOM 622 CA SER A 41 -11.484 -2.874 0.955 1.00 0.00 C ATOM 623 C SER A 41 -12.675 -2.426 0.107 1.00 0.00 C ATOM 624 O SER A 41 -13.252 -1.367 0.351 1.00 0.00 O ATOM 625 CB SER A 41 -11.926 -3.918 1.982 1.00 0.00 C ATOM 626 OG SER A 41 -12.859 -3.384 2.919 1.00 0.00 O ATOM 0 H SER A 41 -11.256 -1.506 2.527 1.00 0.00 H new ATOM 0 HA SER A 41 -10.738 -3.334 0.307 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.376 -4.766 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.053 -4.295 2.515 1.00 0.00 H new ATOM 0 HG SER A 41 -12.492 -3.458 3.825 1.00 0.00 H new ATOM 632 N LYS A 42 -13.010 -3.254 -0.871 1.00 0.00 N ATOM 633 CA LYS A 42 -14.122 -2.957 -1.757 1.00 0.00 C ATOM 634 C LYS A 42 -14.911 -4.239 -2.027 1.00 0.00 C ATOM 635 O LYS A 42 -14.467 -5.331 -1.673 1.00 0.00 O ATOM 636 CB LYS A 42 -13.625 -2.261 -3.026 1.00 0.00 C ATOM 637 CG LYS A 42 -12.372 -2.947 -3.572 1.00 0.00 C ATOM 638 CD LYS A 42 -11.234 -1.941 -3.763 1.00 0.00 C ATOM 639 CE LYS A 42 -10.841 -1.831 -5.237 1.00 0.00 C ATOM 640 NZ LYS A 42 -9.961 -0.661 -5.453 1.00 0.00 N ATOM 0 H LYS A 42 -12.530 -4.132 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.808 -2.255 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.409 -2.273 -3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.407 -1.215 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.056 -3.733 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.601 -3.427 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.542 -0.964 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.370 -2.248 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.330 -2.741 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.736 -1.739 -5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.704 -0.601 -6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.461 0.206 -5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.099 -0.765 -4.881 1.00 0.00 H new ATOM 654 N LEU A 43 -16.066 -4.066 -2.652 1.00 0.00 N ATOM 655 CA LEU A 43 -16.920 -5.196 -2.974 1.00 0.00 C ATOM 656 C LEU A 43 -17.259 -5.166 -4.466 1.00 0.00 C ATOM 657 O LEU A 43 -17.131 -4.129 -5.113 1.00 0.00 O ATOM 658 CB LEU A 43 -18.151 -5.214 -2.064 1.00 0.00 C ATOM 659 CG LEU A 43 -18.051 -6.095 -0.817 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.727 -7.543 -1.193 1.00 0.00 C ATOM 661 CD2 LEU A 43 -17.041 -5.522 0.179 1.00 0.00 C ATOM 0 H LEU A 43 -16.431 -3.159 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.398 -6.134 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -18.359 -4.192 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.007 -5.546 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.023 -6.100 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.662 -8.148 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.514 -7.937 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.775 -7.577 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.989 -6.167 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.059 -5.467 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.355 -4.523 0.481 1.00 0.00 H new ATOM 673 N VAL A 44 -17.684 -6.316 -4.966 1.00 0.00 N ATOM 674 CA VAL A 44 -18.041 -6.434 -6.370 1.00 0.00 C ATOM 675 C VAL A 44 -19.051 -7.572 -6.541 1.00 0.00 C ATOM 676 O VAL A 44 -18.734 -8.732 -6.285 1.00 0.00 O ATOM 677 CB VAL A 44 -16.781 -6.622 -7.217 1.00 0.00 C ATOM 678 CG1 VAL A 44 -17.139 -6.882 -8.682 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.848 -5.416 -7.086 1.00 0.00 C ATOM 0 H VAL A 44 -17.789 -7.174 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.518 -5.519 -6.720 1.00 0.00 H new ATOM 0 HB VAL A 44 -16.252 -7.498 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -16.225 -7.012 -9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.746 -7.785 -8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.701 -6.035 -9.075 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.960 -5.575 -7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.365 -4.518 -7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.554 -5.295 -6.043 1.00 0.00 H new ATOM 689 N PRO A 45 -20.279 -7.188 -6.982 1.00 0.00 N ATOM 690 CA PRO A 45 -21.337 -8.162 -7.190 1.00 0.00 C ATOM 691 C PRO A 45 -21.093 -8.973 -8.464 1.00 0.00 C ATOM 692 O PRO A 45 -20.658 -8.428 -9.478 1.00 0.00 O ATOM 693 CB PRO A 45 -22.618 -7.346 -7.241 1.00 0.00 C ATOM 694 CG PRO A 45 -22.190 -5.915 -7.526 1.00 0.00 C ATOM 695 CD PRO A 45 -20.691 -5.823 -7.295 1.00 0.00 C ATOM 0 HA PRO A 45 -21.386 -8.906 -6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.286 -7.716 -8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -23.160 -7.411 -6.298 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.436 -5.640 -8.552 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.720 -5.221 -6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -20.177 -5.447 -8.179 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.458 -5.142 -6.477 1.00 0.00 H new ATOM 703 N VAL A 46 -21.384 -10.262 -8.372 1.00 0.00 N ATOM 704 CA VAL A 46 -21.203 -11.154 -9.505 1.00 0.00 C ATOM 705 C VAL A 46 -22.497 -11.207 -10.318 1.00 0.00 C ATOM 706 O VAL A 46 -22.468 -11.465 -11.521 1.00 0.00 O ATOM 707 CB VAL A 46 -20.745 -12.530 -9.019 1.00 0.00 C ATOM 708 CG1 VAL A 46 -21.877 -13.260 -8.293 1.00 0.00 C ATOM 709 CG2 VAL A 46 -20.207 -13.370 -10.178 1.00 0.00 C ATOM 0 H VAL A 46 -21.744 -10.711 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.420 -10.780 -10.165 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.932 -12.380 -8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.525 -14.236 -7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.195 -12.673 -7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -22.719 -13.392 -8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -19.888 -14.343 -9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.991 -13.506 -10.923 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.358 -12.860 -10.633 1.00 0.00 H new ATOM 719 N GLY A 47 -23.602 -10.960 -9.631 1.00 0.00 N ATOM 720 CA GLY A 47 -24.904 -10.977 -10.275 1.00 0.00 C ATOM 721 C GLY A 47 -26.029 -10.965 -9.239 1.00 0.00 C ATOM 722 O GLY A 47 -26.671 -11.987 -9.003 1.00 0.00 O ATOM 0 H GLY A 47 -23.623 -10.747 -8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.000 -10.112 -10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.992 -11.864 -10.902 1.00 0.00 H new ATOM 726 N TYR A 48 -26.234 -9.797 -8.648 1.00 0.00 N ATOM 727 CA TYR A 48 -27.270 -9.639 -7.642 1.00 0.00 C ATOM 728 C TYR A 48 -27.365 -10.879 -6.752 1.00 0.00 C ATOM 729 O TYR A 48 -28.156 -11.783 -7.021 1.00 0.00 O ATOM 730 CB TYR A 48 -28.583 -9.477 -8.411 1.00 0.00 C ATOM 731 CG TYR A 48 -28.818 -8.064 -8.950 1.00 0.00 C ATOM 732 CD1 TYR A 48 -28.226 -7.669 -10.132 1.00 0.00 C ATOM 733 CD2 TYR A 48 -29.623 -7.185 -8.254 1.00 0.00 C ATOM 734 CE1 TYR A 48 -28.446 -6.340 -10.640 1.00 0.00 C ATOM 735 CE2 TYR A 48 -29.843 -5.855 -8.761 1.00 0.00 C ATOM 736 CZ TYR A 48 -29.245 -5.499 -9.929 1.00 0.00 C ATOM 737 OH TYR A 48 -29.454 -4.243 -10.409 1.00 0.00 O ATOM 0 H TYR A 48 -25.700 -8.951 -8.847 1.00 0.00 H new ATOM 0 HA TYR A 48 -27.053 -8.786 -6.999 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -28.593 -10.179 -9.245 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -29.411 -9.748 -7.756 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -27.597 -8.357 -10.677 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -30.088 -7.494 -7.330 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -27.988 -6.018 -11.563 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -30.469 -5.156 -8.226 1.00 0.00 H new ATOM 0 HH TYR A 48 -30.045 -3.754 -9.799 1.00 0.00 H new ATOM 747 N GLY A 49 -26.546 -10.885 -5.710 1.00 0.00 N ATOM 748 CA GLY A 49 -26.527 -12.000 -4.779 1.00 0.00 C ATOM 749 C GLY A 49 -25.182 -12.087 -4.055 1.00 0.00 C ATOM 750 O GLY A 49 -25.041 -11.594 -2.936 1.00 0.00 O ATOM 0 H GLY A 49 -25.891 -10.135 -5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.329 -11.884 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -26.716 -12.930 -5.316 1.00 0.00 H new ATOM 754 N ILE A 50 -24.227 -12.718 -4.723 1.00 0.00 N ATOM 755 CA ILE A 50 -22.898 -12.876 -4.157 1.00 0.00 C ATOM 756 C ILE A 50 -22.015 -11.710 -4.607 1.00 0.00 C ATOM 757 O ILE A 50 -22.333 -11.023 -5.577 1.00 0.00 O ATOM 758 CB ILE A 50 -22.326 -14.251 -4.508 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.993 -15.350 -3.679 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.803 -14.266 -4.360 1.00 0.00 C ATOM 761 CD1 ILE A 50 -23.674 -16.381 -4.581 1.00 0.00 C ATOM 0 H ILE A 50 -24.347 -13.126 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.941 -12.843 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.550 -14.457 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.247 -15.843 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.728 -14.908 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.422 -15.255 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.365 -13.525 -5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.535 -14.029 -3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.140 -17.151 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.436 -15.889 -5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -22.932 -16.839 -5.235 1.00 0.00 H new ATOM 773 N LYS A 51 -20.922 -11.523 -3.881 1.00 0.00 N ATOM 774 CA LYS A 51 -19.991 -10.452 -4.193 1.00 0.00 C ATOM 775 C LYS A 51 -18.560 -10.981 -4.093 1.00 0.00 C ATOM 776 O LYS A 51 -18.334 -12.080 -3.586 1.00 0.00 O ATOM 777 CB LYS A 51 -20.259 -9.233 -3.308 1.00 0.00 C ATOM 778 CG LYS A 51 -21.700 -8.744 -3.470 1.00 0.00 C ATOM 779 CD LYS A 51 -22.523 -9.037 -2.212 1.00 0.00 C ATOM 780 CE LYS A 51 -23.408 -7.843 -1.848 1.00 0.00 C ATOM 781 NZ LYS A 51 -24.220 -7.425 -3.013 1.00 0.00 N ATOM 0 H LYS A 51 -20.661 -12.095 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.134 -10.110 -5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.073 -9.489 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.568 -8.431 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.704 -7.673 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.159 -9.231 -4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.143 -9.918 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.856 -9.267 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.062 -8.108 -1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.788 -7.012 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.086 -6.955 -2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.671 -6.765 -3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.474 -8.261 -3.577 1.00 0.00 H new ATOM 795 N LYS A 52 -17.629 -10.176 -4.585 1.00 0.00 N ATOM 796 CA LYS A 52 -16.225 -10.550 -4.557 1.00 0.00 C ATOM 797 C LYS A 52 -15.570 -9.962 -3.306 1.00 0.00 C ATOM 798 O LYS A 52 -15.717 -8.774 -3.023 1.00 0.00 O ATOM 799 CB LYS A 52 -15.536 -10.143 -5.861 1.00 0.00 C ATOM 800 CG LYS A 52 -15.069 -11.374 -6.641 1.00 0.00 C ATOM 801 CD LYS A 52 -14.402 -10.968 -7.957 1.00 0.00 C ATOM 802 CE LYS A 52 -14.923 -11.815 -9.119 1.00 0.00 C ATOM 803 NZ LYS A 52 -14.369 -11.330 -10.403 1.00 0.00 N ATOM 0 H LYS A 52 -17.820 -9.266 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.121 -11.633 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.224 -9.559 -6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.682 -9.502 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.368 -11.948 -6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.920 -12.024 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.594 -9.914 -8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.322 -11.085 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.647 -12.859 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.012 -11.774 -9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.733 -11.916 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.653 -10.341 -10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.331 -11.392 -10.379 1.00 0.00 H new ATOM 817 N LEU A 53 -14.859 -10.820 -2.589 1.00 0.00 N ATOM 818 CA LEU A 53 -14.180 -10.400 -1.375 1.00 0.00 C ATOM 819 C LEU A 53 -12.779 -9.897 -1.727 1.00 0.00 C ATOM 820 O LEU A 53 -11.793 -10.604 -1.527 1.00 0.00 O ATOM 821 CB LEU A 53 -14.186 -11.527 -0.340 1.00 0.00 C ATOM 822 CG LEU A 53 -14.831 -11.197 1.008 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.842 -10.474 1.925 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.123 -10.401 0.817 1.00 0.00 C ATOM 0 H LEU A 53 -14.738 -11.805 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.711 -9.569 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.705 -12.384 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.156 -11.835 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.100 -12.133 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.325 -10.251 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.975 -11.111 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.521 -9.545 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.561 -10.180 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.902 -9.468 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.828 -10.987 0.227 1.00 0.00 H new ATOM 836 N GLN A 54 -12.736 -8.678 -2.246 1.00 0.00 N ATOM 837 CA GLN A 54 -11.473 -8.072 -2.628 1.00 0.00 C ATOM 838 C GLN A 54 -11.061 -7.012 -1.603 1.00 0.00 C ATOM 839 O GLN A 54 -11.912 -6.321 -1.044 1.00 0.00 O ATOM 840 CB GLN A 54 -11.554 -7.473 -4.033 1.00 0.00 C ATOM 841 CG GLN A 54 -10.431 -6.461 -4.264 1.00 0.00 C ATOM 842 CD GLN A 54 -10.029 -6.415 -5.740 1.00 0.00 C ATOM 843 OE1 GLN A 54 -10.308 -5.469 -6.457 1.00 0.00 O ATOM 844 NE2 GLN A 54 -9.357 -7.487 -6.151 1.00 0.00 N ATOM 0 H GLN A 54 -13.556 -8.094 -2.411 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.710 -8.850 -2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.490 -8.268 -4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.520 -6.987 -4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.756 -5.472 -3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.566 -6.727 -3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.156 -8.245 -5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.042 -7.551 -7.119 1.00 0.00 H new ATOM 853 N ILE A 55 -9.757 -6.917 -1.389 1.00 0.00 N ATOM 854 CA ILE A 55 -9.223 -5.953 -0.442 1.00 0.00 C ATOM 855 C ILE A 55 -7.836 -5.505 -0.905 1.00 0.00 C ATOM 856 O ILE A 55 -7.155 -6.229 -1.630 1.00 0.00 O ATOM 857 CB ILE A 55 -9.242 -6.528 0.976 1.00 0.00 C ATOM 858 CG1 ILE A 55 -7.832 -6.907 1.434 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.212 -7.707 1.078 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.275 -8.061 0.599 1.00 0.00 C ATOM 0 H ILE A 55 -9.055 -7.492 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.851 -5.063 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.604 -5.753 1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.174 -6.042 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.852 -7.191 2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.206 -8.096 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.218 -7.374 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.904 -8.492 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.272 -8.310 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.922 -8.932 0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.233 -7.765 -0.449 1.00 0.00 H new ATOM 872 N GLN A 56 -7.457 -4.314 -0.466 1.00 0.00 N ATOM 873 CA GLN A 56 -6.162 -3.760 -0.826 1.00 0.00 C ATOM 874 C GLN A 56 -5.375 -3.389 0.433 1.00 0.00 C ATOM 875 O GLN A 56 -5.953 -2.938 1.420 1.00 0.00 O ATOM 876 CB GLN A 56 -6.321 -2.552 -1.751 1.00 0.00 C ATOM 877 CG GLN A 56 -4.961 -2.069 -2.259 1.00 0.00 C ATOM 878 CD GLN A 56 -4.845 -2.255 -3.774 1.00 0.00 C ATOM 879 OE1 GLN A 56 -4.066 -3.052 -4.270 1.00 0.00 O ATOM 880 NE2 GLN A 56 -5.662 -1.476 -4.479 1.00 0.00 N ATOM 0 H GLN A 56 -8.024 -3.717 0.136 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.601 -4.520 -1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.956 -2.818 -2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.822 -1.744 -1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.827 -1.017 -2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.165 -2.621 -1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.290 -0.830 -4.000 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.660 -1.525 -5.498 1.00 0.00 H new ATOM 889 N CYS A 57 -4.067 -3.591 0.355 1.00 0.00 N ATOM 890 CA CYS A 57 -3.195 -3.283 1.476 1.00 0.00 C ATOM 891 C CYS A 57 -1.854 -2.799 0.921 1.00 0.00 C ATOM 892 O CYS A 57 -1.538 -3.037 -0.244 1.00 0.00 O ATOM 893 CB CYS A 57 -3.028 -4.483 2.410 1.00 0.00 C ATOM 894 SG CYS A 57 -3.029 -6.035 1.440 1.00 0.00 S ATOM 0 H CYS A 57 -3.591 -3.964 -0.466 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.642 -2.495 2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.096 -4.393 2.968 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.836 -4.501 3.141 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.086 -5.754 0.172 1.00 0.00 H new ATOM 900 N VAL A 58 -1.100 -2.130 1.781 1.00 0.00 N ATOM 901 CA VAL A 58 0.200 -1.611 1.391 1.00 0.00 C ATOM 902 C VAL A 58 1.279 -2.233 2.281 1.00 0.00 C ATOM 903 O VAL A 58 1.790 -1.581 3.190 1.00 0.00 O ATOM 904 CB VAL A 58 0.191 -0.082 1.442 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.424 0.497 0.748 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.096 0.479 0.832 1.00 0.00 C ATOM 0 H VAL A 58 -1.365 -1.935 2.747 1.00 0.00 H new ATOM 0 HA VAL A 58 0.428 -1.886 0.361 1.00 0.00 H new ATOM 0 HB VAL A 58 0.225 0.219 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.393 1.585 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.324 0.136 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.435 0.183 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.077 1.568 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.173 0.164 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.955 0.106 1.389 1.00 0.00 H new ATOM 916 N VAL A 59 1.593 -3.486 1.987 1.00 0.00 N ATOM 917 CA VAL A 59 2.602 -4.202 2.748 1.00 0.00 C ATOM 918 C VAL A 59 3.988 -3.876 2.185 1.00 0.00 C ATOM 919 O VAL A 59 4.104 -3.183 1.175 1.00 0.00 O ATOM 920 CB VAL A 59 2.294 -5.701 2.746 1.00 0.00 C ATOM 921 CG1 VAL A 59 0.791 -5.951 2.886 1.00 0.00 C ATOM 922 CG2 VAL A 59 2.847 -6.372 1.487 1.00 0.00 C ATOM 0 H VAL A 59 1.166 -4.024 1.232 1.00 0.00 H new ATOM 0 HA VAL A 59 2.591 -3.883 3.790 1.00 0.00 H new ATOM 0 HB VAL A 59 2.790 -6.147 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.599 -7.024 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.437 -5.522 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.265 -5.485 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.615 -7.437 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.393 -5.921 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.928 -6.237 1.448 1.00 0.00 H new ATOM 932 N GLU A 60 5.003 -4.391 2.864 1.00 0.00 N ATOM 933 CA GLU A 60 6.376 -4.163 2.443 1.00 0.00 C ATOM 934 C GLU A 60 6.786 -5.193 1.389 1.00 0.00 C ATOM 935 O GLU A 60 6.193 -6.268 1.302 1.00 0.00 O ATOM 936 CB GLU A 60 7.327 -4.194 3.641 1.00 0.00 C ATOM 937 CG GLU A 60 7.801 -2.784 4.001 1.00 0.00 C ATOM 938 CD GLU A 60 8.913 -2.322 3.056 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.505 -3.147 2.344 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.153 -1.055 3.075 1.00 0.00 O ATOM 0 H GLU A 60 4.903 -4.965 3.701 1.00 0.00 H new ATOM 0 HA GLU A 60 6.440 -3.171 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.824 -4.642 4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.187 -4.823 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.962 -2.090 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.163 -2.769 5.029 1.00 0.00 H new ATOM 947 N ASP A 61 7.798 -4.829 0.615 1.00 0.00 N ATOM 948 CA ASP A 61 8.294 -5.709 -0.430 1.00 0.00 C ATOM 949 C ASP A 61 9.411 -6.588 0.139 1.00 0.00 C ATOM 950 O ASP A 61 9.979 -7.415 -0.575 1.00 0.00 O ATOM 951 CB ASP A 61 8.872 -4.906 -1.597 1.00 0.00 C ATOM 952 CG ASP A 61 8.718 -5.561 -2.971 1.00 0.00 C ATOM 953 OD1 ASP A 61 9.423 -6.525 -3.302 1.00 0.00 O ATOM 954 OD2 ASP A 61 7.816 -5.033 -3.728 1.00 0.00 O ATOM 0 H ASP A 61 8.288 -3.937 0.690 1.00 0.00 H new ATOM 0 HA ASP A 61 7.461 -6.314 -0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.389 -3.929 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.932 -4.733 -1.410 1.00 0.00 H new ATOM 959 N ASP A 62 9.692 -6.380 1.416 1.00 0.00 N ATOM 960 CA ASP A 62 10.730 -7.144 2.088 1.00 0.00 C ATOM 961 C ASP A 62 10.280 -7.463 3.515 1.00 0.00 C ATOM 962 O ASP A 62 11.109 -7.681 4.397 1.00 0.00 O ATOM 963 CB ASP A 62 12.033 -6.348 2.170 1.00 0.00 C ATOM 964 CG ASP A 62 13.310 -7.181 2.037 1.00 0.00 C ATOM 965 OD1 ASP A 62 13.258 -8.412 1.896 1.00 0.00 O ATOM 966 OD2 ASP A 62 14.409 -6.506 2.083 1.00 0.00 O ATOM 0 H ASP A 62 9.219 -5.693 2.004 1.00 0.00 H new ATOM 0 HA ASP A 62 10.900 -8.057 1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.028 -5.590 1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.059 -5.820 3.123 1.00 0.00 H new ATOM 971 N LYS A 63 8.968 -7.480 3.698 1.00 0.00 N ATOM 972 CA LYS A 63 8.398 -7.768 5.003 1.00 0.00 C ATOM 973 C LYS A 63 7.294 -8.815 4.852 1.00 0.00 C ATOM 974 O LYS A 63 7.498 -9.988 5.160 1.00 0.00 O ATOM 975 CB LYS A 63 7.934 -6.478 5.683 1.00 0.00 C ATOM 976 CG LYS A 63 8.246 -6.503 7.180 1.00 0.00 C ATOM 977 CD LYS A 63 9.581 -5.813 7.474 1.00 0.00 C ATOM 978 CE LYS A 63 10.510 -6.735 8.266 1.00 0.00 C ATOM 979 NZ LYS A 63 11.550 -5.946 8.964 1.00 0.00 N ATOM 0 H LYS A 63 8.283 -7.299 2.964 1.00 0.00 H new ATOM 0 HA LYS A 63 9.154 -8.194 5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.425 -5.622 5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.862 -6.350 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.447 -6.006 7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.281 -7.534 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.060 -5.525 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.405 -4.897 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.932 -7.308 8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.980 -7.453 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.172 -6.586 9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.112 -5.418 8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.097 -5.278 9.620 1.00 0.00 H new ATOM 993 N VAL A 64 6.145 -8.353 4.379 1.00 0.00 N ATOM 994 CA VAL A 64 5.007 -9.236 4.184 1.00 0.00 C ATOM 995 C VAL A 64 5.114 -9.902 2.811 1.00 0.00 C ATOM 996 O VAL A 64 5.672 -9.327 1.878 1.00 0.00 O ATOM 997 CB VAL A 64 3.703 -8.456 4.369 1.00 0.00 C ATOM 998 CG1 VAL A 64 2.561 -9.389 4.779 1.00 0.00 C ATOM 999 CG2 VAL A 64 3.879 -7.326 5.384 1.00 0.00 C ATOM 0 H VAL A 64 5.978 -7.379 4.125 1.00 0.00 H new ATOM 0 HA VAL A 64 5.006 -10.029 4.932 1.00 0.00 H new ATOM 0 HB VAL A 64 3.442 -8.007 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.646 -8.811 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.411 -10.142 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.812 -9.879 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.938 -6.788 5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.175 -7.744 6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.650 -6.639 5.034 1.00 0.00 H new ATOM 1009 N GLY A 65 4.571 -11.108 2.730 1.00 0.00 N ATOM 1010 CA GLY A 65 4.599 -11.861 1.487 1.00 0.00 C ATOM 1011 C GLY A 65 3.268 -12.578 1.251 1.00 0.00 C ATOM 1012 O GLY A 65 3.167 -13.430 0.369 1.00 0.00 O ATOM 0 H GLY A 65 4.109 -11.583 3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.807 -11.188 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.409 -12.590 1.517 1.00 0.00 H new ATOM 1016 N THR A 66 2.282 -12.207 2.053 1.00 0.00 N ATOM 1017 CA THR A 66 0.962 -12.805 1.943 1.00 0.00 C ATOM 1018 C THR A 66 1.010 -14.281 2.339 1.00 0.00 C ATOM 1019 O THR A 66 0.354 -15.116 1.718 1.00 0.00 O ATOM 1020 CB THR A 66 0.457 -12.574 0.516 1.00 0.00 C ATOM 1021 OG1 THR A 66 0.744 -11.201 0.264 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.067 -12.661 0.413 1.00 0.00 C ATOM 0 H THR A 66 2.370 -11.499 2.782 1.00 0.00 H new ATOM 0 HA THR A 66 0.258 -12.340 2.633 1.00 0.00 H new ATOM 0 HB THR A 66 0.908 -13.308 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.215 -11.117 -0.591 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.372 -12.490 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.397 -13.650 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.519 -11.905 1.055 1.00 0.00 H new ATOM 1030 N ASP A 67 1.793 -14.559 3.372 1.00 0.00 N ATOM 1031 CA ASP A 67 1.935 -15.920 3.858 1.00 0.00 C ATOM 1032 C ASP A 67 1.124 -16.084 5.146 1.00 0.00 C ATOM 1033 O ASP A 67 0.250 -16.945 5.227 1.00 0.00 O ATOM 1034 CB ASP A 67 3.397 -16.242 4.175 1.00 0.00 C ATOM 1035 CG ASP A 67 4.155 -15.140 4.919 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.429 -14.096 4.214 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.466 -15.274 6.112 1.00 0.00 O ATOM 0 H ASP A 67 2.335 -13.864 3.885 1.00 0.00 H new ATOM 0 HA ASP A 67 1.578 -16.595 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.431 -17.153 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.918 -16.453 3.241 1.00 0.00 H new ATOM 1042 N MET A 68 1.445 -15.245 6.119 1.00 0.00 N ATOM 1043 CA MET A 68 0.758 -15.286 7.399 1.00 0.00 C ATOM 1044 C MET A 68 -0.675 -14.766 7.269 1.00 0.00 C ATOM 1045 O MET A 68 -1.600 -15.333 7.848 1.00 0.00 O ATOM 1046 CB MET A 68 1.520 -14.433 8.416 1.00 0.00 C ATOM 1047 CG MET A 68 1.625 -15.150 9.764 1.00 0.00 C ATOM 1048 SD MET A 68 1.112 -14.058 11.078 1.00 0.00 S ATOM 1049 CE MET A 68 -0.605 -13.837 10.645 1.00 0.00 C ATOM 0 H MET A 68 2.172 -14.533 6.047 1.00 0.00 H new ATOM 0 HA MET A 68 0.720 -16.322 7.736 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.519 -14.215 8.037 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.013 -13.477 8.547 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.002 -16.044 9.759 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.651 -15.478 9.932 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.114 -13.295 11.442 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.676 -13.270 9.717 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.075 -14.811 10.511 1.00 0.00 H new ATOM 1059 N LEU A 69 -0.813 -13.691 6.505 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.118 -13.088 6.292 1.00 0.00 C ATOM 1061 C LEU A 69 -3.053 -14.119 5.657 1.00 0.00 C ATOM 1062 O LEU A 69 -4.240 -14.168 5.980 1.00 0.00 O ATOM 1063 CB LEU A 69 -1.985 -11.797 5.482 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.397 -10.597 6.226 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -1.097 -9.447 5.262 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.313 -10.159 7.371 1.00 0.00 C ATOM 0 H LEU A 69 -0.043 -13.223 6.027 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.563 -12.796 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.362 -12.000 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.972 -11.521 5.110 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.449 -10.902 6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.680 -8.607 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.379 -9.779 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.018 -9.135 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.872 -9.304 7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.287 -9.879 6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.434 -10.982 8.076 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.486 -14.917 4.764 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.253 -15.943 4.082 1.00 0.00 C ATOM 1080 C GLU A 70 -3.718 -17.010 5.076 1.00 0.00 C ATOM 1081 O GLU A 70 -4.911 -17.289 5.182 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.444 -16.569 2.944 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.224 -17.702 2.274 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.294 -18.600 1.457 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -2.092 -18.215 0.243 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -1.797 -19.613 1.974 1.00 0.00 O ATOM 0 H GLU A 70 -1.502 -14.873 4.497 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.134 -15.476 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.198 -15.806 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.500 -16.953 3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.734 -18.295 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.994 -17.284 1.625 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.749 -17.576 5.781 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.043 -18.605 6.764 1.00 0.00 C ATOM 1095 C GLU A 71 -4.008 -18.068 7.823 1.00 0.00 C ATOM 1096 O GLU A 71 -4.596 -18.839 8.580 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.759 -19.131 7.409 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.133 -20.240 6.560 1.00 0.00 C ATOM 1099 CD GLU A 71 -0.127 -21.053 7.376 1.00 0.00 C ATOM 1100 OE1 GLU A 71 0.633 -20.480 8.172 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -0.152 -22.324 7.162 1.00 0.00 O ATOM 0 H GLU A 71 -1.760 -17.342 5.691 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.523 -19.440 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.047 -18.314 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.978 -19.512 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.915 -20.898 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.636 -19.803 5.694 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.141 -16.750 7.842 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.024 -16.101 8.796 1.00 0.00 C ATOM 1110 C GLN A 72 -6.375 -15.795 8.144 1.00 0.00 C ATOM 1111 O GLN A 72 -7.424 -16.054 8.732 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.386 -14.830 9.358 1.00 0.00 C ATOM 1113 CG GLN A 72 -5.203 -14.276 10.527 1.00 0.00 C ATOM 1114 CD GLN A 72 -4.353 -14.186 11.797 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.457 -13.367 11.918 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -4.683 -15.071 12.732 1.00 0.00 N ATOM 0 H GLN A 72 -3.652 -16.114 7.212 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.190 -16.783 9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.370 -15.045 9.689 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.313 -14.078 8.572 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.587 -13.288 10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.066 -14.916 10.708 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.444 -15.729 12.565 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.175 -15.092 13.616 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.304 -15.246 6.940 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.508 -14.901 6.203 1.00 0.00 C ATOM 1127 C ILE A 73 -8.167 -16.182 5.685 1.00 0.00 C ATOM 1128 O ILE A 73 -9.342 -16.431 5.951 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.191 -13.884 5.106 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.518 -12.640 5.689 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.446 -13.535 4.303 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -5.590 -11.987 4.662 1.00 0.00 C ATOM 0 H ILE A 73 -5.432 -15.032 6.457 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.230 -14.413 6.858 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.482 -14.338 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.278 -11.925 6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.949 -12.913 6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.193 -12.810 3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.843 -14.437 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.197 -13.109 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.124 -11.105 5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.817 -12.697 4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.167 -11.694 3.785 1.00 0.00 H new ATOM 1144 N THR A 74 -7.382 -16.958 4.952 1.00 0.00 N ATOM 1145 CA THR A 74 -7.875 -18.206 4.394 1.00 0.00 C ATOM 1146 C THR A 74 -8.067 -19.245 5.499 1.00 0.00 C ATOM 1147 O THR A 74 -8.604 -20.326 5.255 1.00 0.00 O ATOM 1148 CB THR A 74 -6.901 -18.652 3.302 1.00 0.00 C ATOM 1149 OG1 THR A 74 -5.792 -19.185 4.022 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.310 -17.474 2.527 1.00 0.00 C ATOM 0 H THR A 74 -6.409 -16.747 4.732 1.00 0.00 H new ATOM 0 HA THR A 74 -8.857 -18.076 3.940 1.00 0.00 H new ATOM 0 HB THR A 74 -7.414 -19.320 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.611 -18.625 4.805 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.626 -17.847 1.765 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.113 -16.912 2.050 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.769 -16.822 3.213 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.618 -18.885 6.692 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.734 -19.773 7.836 1.00 0.00 C ATOM 1160 C ALA A 75 -9.204 -20.150 8.037 1.00 0.00 C ATOM 1161 O ALA A 75 -9.509 -21.158 8.672 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.131 -19.099 9.069 1.00 0.00 C ATOM 0 H ALA A 75 -7.173 -17.989 6.891 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.178 -20.695 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.218 -19.765 9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.079 -18.879 8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.665 -18.171 9.274 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.075 -19.317 7.485 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.505 -19.551 7.597 1.00 0.00 C ATOM 1170 C PHE A 76 -12.041 -20.271 6.358 1.00 0.00 C ATOM 1171 O PHE A 76 -12.531 -19.633 5.427 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.174 -18.178 7.704 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.662 -17.832 9.112 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -11.868 -18.084 10.187 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -13.889 -17.272 9.288 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -12.321 -17.762 11.494 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -14.342 -16.951 10.595 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.549 -17.203 11.670 1.00 0.00 C ATOM 0 H PHE A 76 -9.819 -18.481 6.960 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.714 -20.175 8.466 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.468 -17.415 7.377 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.021 -18.143 7.018 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.894 -18.529 10.047 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.519 -17.072 8.434 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.691 -17.961 12.348 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.316 -16.507 10.735 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.894 -16.959 12.664 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.930 -21.591 6.387 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.399 -22.406 5.278 1.00 0.00 C ATOM 1190 C GLU A 77 -13.917 -22.579 5.350 1.00 0.00 C ATOM 1191 O GLU A 77 -14.521 -23.167 4.455 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.692 -23.763 5.258 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.180 -24.094 3.855 1.00 0.00 C ATOM 1194 CD GLU A 77 -12.032 -25.186 3.205 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -11.736 -26.380 3.364 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -13.033 -24.757 2.513 1.00 0.00 O ATOM 0 H GLU A 77 -11.522 -22.117 7.160 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.156 -21.893 4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.858 -23.753 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.380 -24.540 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.198 -23.197 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.142 -24.422 3.911 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.490 -22.055 6.424 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.926 -22.145 6.625 1.00 0.00 C ATOM 1205 C ASP A 78 -16.594 -20.886 6.067 1.00 0.00 C ATOM 1206 O ASP A 78 -17.789 -20.671 6.267 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.270 -22.242 8.112 1.00 0.00 C ATOM 1208 CG ASP A 78 -16.638 -23.644 8.600 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -15.682 -24.510 8.543 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -17.778 -23.898 9.014 1.00 0.00 O ATOM 0 H ASP A 78 -13.986 -21.567 7.164 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.282 -23.039 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.418 -21.884 8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -17.103 -21.570 8.322 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.793 -20.086 5.378 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.292 -18.854 4.790 1.00 0.00 C ATOM 1217 C TYR A 79 -15.617 -18.575 3.446 1.00 0.00 C ATOM 1218 O TYR A 79 -16.280 -18.209 2.477 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.926 -17.739 5.772 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.632 -17.845 7.126 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -16.229 -18.796 8.041 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -17.671 -16.991 7.430 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -16.894 -18.896 9.316 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -18.336 -17.091 8.703 1.00 0.00 C ATOM 1225 CZ TYR A 79 -17.915 -18.038 9.583 1.00 0.00 C ATOM 1226 OH TYR A 79 -18.542 -18.133 10.786 1.00 0.00 O ATOM 0 H TYR A 79 -14.803 -20.267 5.214 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.366 -18.921 4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.848 -17.751 5.934 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -16.170 -16.777 5.321 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.416 -19.465 7.802 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -17.986 -16.247 6.713 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.589 -19.635 10.042 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -19.151 -16.428 8.953 1.00 0.00 H new ATOM 0 HH TYR A 79 -19.250 -17.458 10.840 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.304 -18.758 3.431 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.531 -18.530 2.222 1.00 0.00 C ATOM 1238 C VAL A 80 -13.549 -19.798 1.364 1.00 0.00 C ATOM 1239 O VAL A 80 -13.277 -20.891 1.860 1.00 0.00 O ATOM 1240 CB VAL A 80 -12.116 -18.073 2.583 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.209 -18.075 1.351 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -12.139 -16.694 3.245 1.00 0.00 C ATOM 0 H VAL A 80 -13.757 -19.061 4.237 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.975 -17.730 1.630 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.706 -18.783 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.209 -17.746 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.156 -19.083 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.614 -17.397 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.121 -16.392 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.577 -15.968 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.736 -16.738 4.156 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.872 -19.611 0.093 1.00 0.00 N ATOM 1253 CA GLN A 81 -13.929 -20.725 -0.837 1.00 0.00 C ATOM 1254 C GLN A 81 -12.537 -21.014 -1.404 1.00 0.00 C ATOM 1255 O GLN A 81 -12.187 -22.170 -1.641 1.00 0.00 O ATOM 1256 CB GLN A 81 -14.932 -20.452 -1.960 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.234 -21.728 -2.747 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.299 -21.443 -4.250 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -16.358 -21.375 -4.850 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -14.109 -21.282 -4.820 1.00 0.00 N ATOM 0 H GLN A 81 -14.097 -18.704 -0.315 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.271 -21.607 -0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.855 -20.053 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.533 -19.692 -2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.464 -22.473 -2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.181 -22.151 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.261 -21.352 -4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.044 -21.088 -5.819 1.00 0.00 H new ATOM 1269 N SER A 82 -11.781 -19.945 -1.606 1.00 0.00 N ATOM 1270 CA SER A 82 -10.436 -20.070 -2.141 1.00 0.00 C ATOM 1271 C SER A 82 -9.852 -18.682 -2.419 1.00 0.00 C ATOM 1272 O SER A 82 -10.392 -17.929 -3.227 1.00 0.00 O ATOM 1273 CB SER A 82 -10.426 -20.914 -3.417 1.00 0.00 C ATOM 1274 OG SER A 82 -10.220 -22.298 -3.139 1.00 0.00 O ATOM 0 H SER A 82 -12.074 -18.988 -1.409 1.00 0.00 H new ATOM 0 HA SER A 82 -9.819 -20.576 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.372 -20.787 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.640 -20.557 -4.082 1.00 0.00 H new ATOM 0 HG SER A 82 -10.985 -22.648 -2.637 1.00 0.00 H new ATOM 1280 N MET A 83 -8.758 -18.388 -1.733 1.00 0.00 N ATOM 1281 CA MET A 83 -8.095 -17.105 -1.895 1.00 0.00 C ATOM 1282 C MET A 83 -7.109 -17.142 -3.064 1.00 0.00 C ATOM 1283 O MET A 83 -6.569 -18.197 -3.393 1.00 0.00 O ATOM 1284 CB MET A 83 -7.349 -16.749 -0.608 1.00 0.00 C ATOM 1285 CG MET A 83 -6.429 -15.546 -0.823 1.00 0.00 C ATOM 1286 SD MET A 83 -5.401 -15.299 0.615 1.00 0.00 S ATOM 1287 CE MET A 83 -3.789 -15.316 -0.150 1.00 0.00 C ATOM 0 H MET A 83 -8.314 -19.016 -1.063 1.00 0.00 H new ATOM 0 HA MET A 83 -8.852 -16.350 -2.106 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.066 -16.527 0.182 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.762 -17.605 -0.275 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.806 -15.707 -1.703 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.024 -14.652 -1.013 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.104 -14.699 0.431 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.414 -16.339 -0.186 1.00 0.00 H new ATOM 0 HE3 MET A 83 -3.863 -14.921 -1.163 1.00 0.00 H new ATOM 1297 N ASP A 84 -6.903 -15.976 -3.661 1.00 0.00 N ATOM 1298 CA ASP A 84 -5.991 -15.862 -4.785 1.00 0.00 C ATOM 1299 C ASP A 84 -5.324 -14.486 -4.757 1.00 0.00 C ATOM 1300 O ASP A 84 -5.535 -13.709 -3.828 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.737 -15.999 -6.114 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.023 -17.437 -6.550 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -6.765 -18.393 -5.805 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -7.540 -17.558 -7.726 1.00 0.00 O ATOM 0 H ASP A 84 -7.353 -15.103 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.251 -16.658 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.683 -15.463 -6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.154 -15.508 -6.893 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.531 -14.227 -5.787 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.831 -12.958 -5.892 1.00 0.00 C ATOM 1311 C VAL A 85 -4.393 -12.167 -7.074 1.00 0.00 C ATOM 1312 O VAL A 85 -4.466 -12.679 -8.190 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.324 -13.198 -5.996 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -1.564 -11.875 -6.105 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.818 -14.025 -4.811 1.00 0.00 C ATOM 0 H VAL A 85 -4.358 -14.874 -6.556 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.990 -12.359 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.137 -13.767 -6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.495 -12.074 -6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.894 -11.338 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.761 -11.269 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.744 -14.182 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.024 -13.493 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.325 -14.990 -4.797 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.775 -10.930 -6.791 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.328 -10.063 -7.817 1.00 0.00 C ATOM 1327 C ALA A 86 -4.186 -9.357 -8.553 1.00 0.00 C ATOM 1328 O ALA A 86 -4.375 -8.846 -9.654 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.308 -9.077 -7.180 1.00 0.00 C ATOM 0 H ALA A 86 -4.712 -10.508 -5.865 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.884 -10.645 -8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.722 -8.427 -7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.115 -9.627 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.786 -8.473 -6.438 1.00 0.00 H new ATOM 1335 N ALA A 87 -3.026 -9.354 -7.912 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.854 -8.720 -8.491 1.00 0.00 C ATOM 1337 C ALA A 87 -0.760 -8.612 -7.427 1.00 0.00 C ATOM 1338 O ALA A 87 -1.039 -8.704 -6.233 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.243 -7.357 -9.068 1.00 0.00 C ATOM 0 H ALA A 87 -2.873 -9.780 -6.998 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.459 -9.320 -9.311 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.364 -6.881 -9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.001 -7.491 -9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.642 -6.726 -8.274 1.00 0.00 H new ATOM 1345 N PHE A 88 0.463 -8.419 -7.900 1.00 0.00 N ATOM 1346 CA PHE A 88 1.600 -8.297 -7.003 1.00 0.00 C ATOM 1347 C PHE A 88 2.604 -7.270 -7.528 1.00 0.00 C ATOM 1348 O PHE A 88 3.517 -7.614 -8.278 1.00 0.00 O ATOM 1349 CB PHE A 88 2.276 -9.670 -6.948 1.00 0.00 C ATOM 1350 CG PHE A 88 2.506 -10.193 -5.529 1.00 0.00 C ATOM 1351 CD1 PHE A 88 1.499 -10.152 -4.617 1.00 0.00 C ATOM 1352 CD2 PHE A 88 3.719 -10.700 -5.180 1.00 0.00 C ATOM 1353 CE1 PHE A 88 1.713 -10.638 -3.300 1.00 0.00 C ATOM 1354 CE2 PHE A 88 3.934 -11.185 -3.863 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.926 -11.144 -2.951 1.00 0.00 C ATOM 0 H PHE A 88 0.691 -8.344 -8.891 1.00 0.00 H new ATOM 0 HA PHE A 88 1.264 -7.968 -6.019 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.663 -10.387 -7.494 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.235 -9.613 -7.463 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.536 -9.750 -4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.519 -10.734 -5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.913 -10.606 -2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.898 -11.586 -3.586 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.089 -11.513 -1.949 1.00 0.00 H new ATOM 1365 N ASN A 89 2.403 -6.028 -7.112 1.00 0.00 N ATOM 1366 CA ASN A 89 3.280 -4.947 -7.531 1.00 0.00 C ATOM 1367 C ASN A 89 3.265 -3.844 -6.471 1.00 0.00 C ATOM 1368 O ASN A 89 2.579 -3.962 -5.457 1.00 0.00 O ATOM 1369 CB ASN A 89 2.811 -4.338 -8.854 1.00 0.00 C ATOM 1370 CG ASN A 89 3.569 -4.943 -10.037 1.00 0.00 C ATOM 1371 OD1 ASN A 89 3.308 -6.053 -10.472 1.00 0.00 O ATOM 1372 ND2 ASN A 89 4.521 -4.156 -10.529 1.00 0.00 N ATOM 0 H ASN A 89 1.646 -5.746 -6.489 1.00 0.00 H new ATOM 0 HA ASN A 89 4.282 -5.356 -7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.742 -4.508 -8.978 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.962 -3.259 -8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.085 -4.470 -11.318 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.687 -3.238 -10.117 1.00 0.00 H new ATOM 1379 N LYS A 90 4.030 -2.796 -6.742 1.00 0.00 N ATOM 1380 CA LYS A 90 4.113 -1.673 -5.824 1.00 0.00 C ATOM 1381 C LYS A 90 3.049 -0.638 -6.194 1.00 0.00 C ATOM 1382 O LYS A 90 2.484 -0.645 -7.284 1.00 0.00 O ATOM 1383 CB LYS A 90 5.536 -1.110 -5.794 1.00 0.00 C ATOM 1384 CG LYS A 90 5.617 0.127 -4.897 1.00 0.00 C ATOM 1385 CD LYS A 90 7.051 0.656 -4.822 1.00 0.00 C ATOM 1386 CE LYS A 90 7.194 1.965 -5.601 1.00 0.00 C ATOM 1387 NZ LYS A 90 7.474 3.089 -4.680 1.00 0.00 N ATOM 0 H LYS A 90 4.598 -2.701 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 90 3.902 -1.997 -4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.225 -1.873 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.850 -0.852 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.958 0.905 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.264 -0.121 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.329 0.816 -3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.738 -0.088 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.000 1.875 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.280 2.164 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.568 3.970 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.692 3.184 -4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.359 2.904 -4.166 1.00 0.00 H new ATOM 1401 N ILE A 91 2.788 0.266 -5.246 1.00 0.00 N ATOM 1402 CA ILE A 91 1.807 1.316 -5.438 1.00 0.00 C ATOM 1403 C ILE A 91 2.515 2.640 -5.688 1.00 0.00 C ATOM 1404 O ILE A 91 3.572 2.673 -6.312 1.00 0.00 O ATOM 1405 CB ILE A 91 0.910 1.403 -4.207 1.00 0.00 C ATOM 1406 CG1 ILE A 91 1.398 0.418 -3.149 1.00 0.00 C ATOM 1407 CG2 ILE A 91 -0.525 1.062 -4.598 1.00 0.00 C ATOM 1408 CD1 ILE A 91 0.231 0.016 -2.253 1.00 0.00 C ATOM 1409 OXT ILE A 91 2.033 3.692 -5.267 1.00 0.00 O ATOM 0 H ILE A 91 3.249 0.284 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 91 1.187 1.089 -6.305 1.00 0.00 H new ATOM 0 HB ILE A 91 0.946 2.415 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.824 -0.464 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.190 0.871 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.166 1.124 -3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.874 1.767 -5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.561 0.051 -5.003 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.579 -0.688 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.175 0.902 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.546 -0.454 -2.856 1.00 0.00 H new