USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 935 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 55 TYR OH : rot 30:sc= 0.986 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 172:sc= 1.06 (180deg=-0.375) USER MOD Set 2.1: A 33 THR OG1 : rot 64:sc= 0.00775 USER MOD Set 2.2: A 67 MET CE :methyl -177:sc= 0 (180deg=-0.0135) USER MOD Set 2.3: A 86 THR OG1 : rot 79:sc= 0.722 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0848) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 0.836 (180deg=0.508) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.939 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 36 CYS SG : rot -60:sc= 0.0571 USER MOD Single : A 39 CYS SG : rot -163:sc= 0.429 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 70:sc= 0.669 USER MOD Single : A 44 LYS NZ :NH3+ 142:sc= -0.131 (180deg=-0.684) USER MOD Single : A 48 LYS NZ :NH3+ -129:sc= -0.034 (180deg=-0.37) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 57 ASN : amide:sc= 0.183 K(o=0.18,f=-4.4!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.5!) USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= 2.01 (180deg=1.51) USER MOD Single : A 65 MET CE :methyl -157:sc=-0.00879 (180deg=-0.916) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= -0.0337 (180deg=-0.201) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -2.64! C(o=-2.6!,f=-8.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 150:sc= 1.12 (180deg=0.549) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 12.055 0.302 8.985 1.00 0.00 N ATOM 51 CA GLY A 5 11.368 0.243 7.713 1.00 0.00 C ATOM 52 C GLY A 5 10.001 0.885 7.758 1.00 0.00 C ATOM 53 O GLY A 5 9.697 1.651 8.673 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.973 0.740 6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.266 -0.798 7.408 1.00 0.00 H new ATOM 57 N ILE A 6 9.180 0.585 6.761 1.00 0.00 N ATOM 58 CA ILE A 6 7.822 1.108 6.706 1.00 0.00 C ATOM 59 C ILE A 6 6.949 0.369 7.709 1.00 0.00 C ATOM 60 O ILE A 6 7.105 -0.838 7.900 1.00 0.00 O ATOM 61 CB ILE A 6 7.218 0.961 5.291 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.183 1.519 4.240 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.878 1.680 5.207 1.00 0.00 C ATOM 64 CD1 ILE A 6 7.728 1.296 2.812 1.00 0.00 C ATOM 0 H ILE A 6 9.431 -0.019 5.978 1.00 0.00 H new ATOM 0 HA ILE A 6 7.858 2.169 6.953 1.00 0.00 H new ATOM 0 HB ILE A 6 7.058 -0.099 5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.310 2.588 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.161 1.057 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.466 1.567 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.188 1.250 5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.019 2.739 5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.462 1.718 2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.629 0.227 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.765 1.782 2.657 1.00 0.00 H new ATOM 76 N ALA A 7 6.048 1.087 8.359 1.00 0.00 N ATOM 77 CA ALA A 7 5.169 0.480 9.344 1.00 0.00 C ATOM 78 C ALA A 7 3.724 0.521 8.875 1.00 0.00 C ATOM 79 O ALA A 7 3.097 1.581 8.856 1.00 0.00 O ATOM 80 CB ALA A 7 5.314 1.173 10.692 1.00 0.00 C ATOM 0 H ALA A 7 5.906 2.088 8.223 1.00 0.00 H new ATOM 0 HA ALA A 7 5.460 -0.564 9.461 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.648 0.704 11.416 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.344 1.085 11.037 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.054 2.227 10.589 1.00 0.00 H new ATOM 86 N PHE A 8 3.203 -0.630 8.481 1.00 0.00 N ATOM 87 CA PHE A 8 1.821 -0.735 8.055 1.00 0.00 C ATOM 88 C PHE A 8 0.932 -1.103 9.236 1.00 0.00 C ATOM 89 O PHE A 8 1.257 -2.006 10.009 1.00 0.00 O ATOM 90 CB PHE A 8 1.688 -1.786 6.954 1.00 0.00 C ATOM 91 CG PHE A 8 2.282 -1.369 5.641 1.00 0.00 C ATOM 92 CD1 PHE A 8 1.518 -0.693 4.706 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.604 -1.656 5.340 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.059 -0.310 3.495 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.151 -1.276 4.129 1.00 0.00 C ATOM 96 CZ PHE A 8 3.378 -0.602 3.204 1.00 0.00 C ATOM 0 H PHE A 8 3.721 -1.508 8.448 1.00 0.00 H new ATOM 0 HA PHE A 8 1.503 0.231 7.662 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.170 -2.706 7.284 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.632 -2.014 6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.486 -0.462 4.926 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.213 -2.182 6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.451 0.218 2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.182 -1.506 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.803 -0.304 2.257 1.00 0.00 H new ATOM 106 N ARG A 9 -0.177 -0.398 9.379 1.00 0.00 N ATOM 107 CA ARG A 9 -1.104 -0.662 10.469 1.00 0.00 C ATOM 108 C ARG A 9 -2.295 -1.470 9.964 1.00 0.00 C ATOM 109 O ARG A 9 -2.816 -1.218 8.874 1.00 0.00 O ATOM 110 CB ARG A 9 -1.551 0.649 11.129 1.00 0.00 C ATOM 111 CG ARG A 9 -2.095 1.685 10.157 1.00 0.00 C ATOM 112 CD ARG A 9 -2.109 3.075 10.775 1.00 0.00 C ATOM 113 NE ARG A 9 -0.763 3.520 11.131 1.00 0.00 N ATOM 114 CZ ARG A 9 -0.481 4.689 11.697 1.00 0.00 C ATOM 115 NH1 ARG A 9 -1.446 5.562 11.960 1.00 0.00 N ATOM 116 NH2 ARG A 9 0.778 4.990 11.995 1.00 0.00 N ATOM 0 H ARG A 9 -0.458 0.360 8.757 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.595 -1.254 11.230 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.318 0.426 11.871 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.705 1.079 11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.485 1.693 9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.106 1.409 9.857 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.552 3.781 10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.739 3.072 11.665 1.00 0.00 H new ATOM 0 HE ARG A 9 0.014 2.890 10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.414 5.338 11.728 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.220 6.457 12.395 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.524 4.325 11.789 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.999 5.886 12.429 1.00 0.00 H new ATOM 130 N GLU A 10 -2.702 -2.458 10.747 1.00 0.00 N ATOM 131 CA GLU A 10 -3.750 -3.379 10.328 1.00 0.00 C ATOM 132 C GLU A 10 -5.113 -2.915 10.832 1.00 0.00 C ATOM 133 O GLU A 10 -5.503 -3.205 11.963 1.00 0.00 O ATOM 134 CB GLU A 10 -3.443 -4.792 10.837 1.00 0.00 C ATOM 135 CG GLU A 10 -2.067 -5.291 10.426 1.00 0.00 C ATOM 136 CD GLU A 10 -1.769 -6.686 10.934 1.00 0.00 C ATOM 137 OE1 GLU A 10 -1.552 -6.844 12.153 1.00 0.00 O ATOM 138 OE2 GLU A 10 -1.735 -7.631 10.113 1.00 0.00 O ATOM 0 H GLU A 10 -2.323 -2.643 11.676 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.780 -3.396 9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.517 -4.803 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.200 -5.480 10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.993 -5.283 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.310 -4.603 10.802 1.00 0.00 H new ATOM 145 N LEU A 11 -5.823 -2.184 9.986 1.00 0.00 N ATOM 146 CA LEU A 11 -7.126 -1.650 10.325 1.00 0.00 C ATOM 147 C LEU A 11 -8.145 -2.022 9.253 1.00 0.00 C ATOM 148 O LEU A 11 -7.771 -2.381 8.139 1.00 0.00 O ATOM 149 CB LEU A 11 -7.040 -0.130 10.439 1.00 0.00 C ATOM 150 CG LEU A 11 -6.198 0.400 11.600 1.00 0.00 C ATOM 151 CD1 LEU A 11 -6.097 1.915 11.533 1.00 0.00 C ATOM 152 CD2 LEU A 11 -6.792 -0.035 12.930 1.00 0.00 C ATOM 0 H LEU A 11 -5.509 -1.946 9.045 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.444 -2.073 11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.631 0.263 9.508 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.051 0.267 10.536 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.194 -0.018 11.518 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.495 2.277 12.366 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.629 2.207 10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.095 2.349 11.592 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.180 0.351 13.745 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.806 0.355 13.021 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.817 -1.124 12.979 1.00 0.00 H new ATOM 164 N SER A 12 -9.424 -1.936 9.591 1.00 0.00 N ATOM 165 CA SER A 12 -10.483 -2.166 8.620 1.00 0.00 C ATOM 166 C SER A 12 -10.534 -1.020 7.606 1.00 0.00 C ATOM 167 O SER A 12 -10.032 0.076 7.873 1.00 0.00 O ATOM 168 CB SER A 12 -11.827 -2.302 9.337 1.00 0.00 C ATOM 169 OG SER A 12 -11.785 -3.341 10.300 1.00 0.00 O ATOM 0 H SER A 12 -9.753 -1.709 10.530 1.00 0.00 H new ATOM 0 HA SER A 12 -10.274 -3.092 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.081 -1.360 9.824 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.612 -2.507 8.610 1.00 0.00 H new ATOM 0 HG SER A 12 -12.655 -3.408 10.747 1.00 0.00 H new ATOM 175 N PHE A 13 -11.159 -1.272 6.460 1.00 0.00 N ATOM 176 CA PHE A 13 -11.231 -0.287 5.378 1.00 0.00 C ATOM 177 C PHE A 13 -11.907 1.016 5.842 1.00 0.00 C ATOM 178 O PHE A 13 -11.309 2.088 5.735 1.00 0.00 O ATOM 179 CB PHE A 13 -11.959 -0.884 4.165 1.00 0.00 C ATOM 180 CG PHE A 13 -12.026 0.033 2.972 1.00 0.00 C ATOM 181 CD1 PHE A 13 -10.980 0.083 2.064 1.00 0.00 C ATOM 182 CD2 PHE A 13 -13.137 0.833 2.753 1.00 0.00 C ATOM 183 CE1 PHE A 13 -11.042 0.916 0.962 1.00 0.00 C ATOM 184 CE2 PHE A 13 -13.201 1.667 1.654 1.00 0.00 C ATOM 185 CZ PHE A 13 -12.152 1.709 0.757 1.00 0.00 C ATOM 0 H PHE A 13 -11.627 -2.155 6.253 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.213 -0.034 5.083 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.457 -1.806 3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -12.973 -1.152 4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.108 -0.535 2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -13.962 0.804 3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.221 0.946 0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.072 2.286 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.200 2.361 -0.103 1.00 0.00 H new ATOM 195 N PRO A 14 -13.154 0.963 6.377 1.00 0.00 N ATOM 196 CA PRO A 14 -13.841 2.164 6.868 1.00 0.00 C ATOM 197 C PRO A 14 -13.063 2.848 7.989 1.00 0.00 C ATOM 198 O PRO A 14 -13.057 4.076 8.097 1.00 0.00 O ATOM 199 CB PRO A 14 -15.185 1.639 7.390 1.00 0.00 C ATOM 200 CG PRO A 14 -14.981 0.178 7.589 1.00 0.00 C ATOM 201 CD PRO A 14 -13.989 -0.242 6.546 1.00 0.00 C ATOM 0 HA PRO A 14 -13.948 2.916 6.086 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.464 2.129 8.323 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.987 1.831 6.677 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.607 -0.032 8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.919 -0.366 7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.399 -1.099 6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.479 -0.527 5.615 1.00 0.00 H new ATOM 209 N GLU A 15 -12.393 2.041 8.806 1.00 0.00 N ATOM 210 CA GLU A 15 -11.602 2.548 9.918 1.00 0.00 C ATOM 211 C GLU A 15 -10.457 3.415 9.432 1.00 0.00 C ATOM 212 O GLU A 15 -10.250 4.520 9.934 1.00 0.00 O ATOM 213 CB GLU A 15 -11.050 1.394 10.746 1.00 0.00 C ATOM 214 CG GLU A 15 -12.085 0.752 11.649 1.00 0.00 C ATOM 215 CD GLU A 15 -12.715 1.757 12.586 1.00 0.00 C ATOM 216 OE1 GLU A 15 -12.028 2.209 13.526 1.00 0.00 O ATOM 217 OE2 GLU A 15 -13.895 2.114 12.379 1.00 0.00 O ATOM 0 H GLU A 15 -12.384 1.025 8.716 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.259 3.159 10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.644 0.637 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.222 1.757 11.355 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.860 0.288 11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.617 -0.043 12.230 1.00 0.00 H new ATOM 224 N ALA A 16 -9.716 2.909 8.457 1.00 0.00 N ATOM 225 CA ALA A 16 -8.580 3.631 7.919 1.00 0.00 C ATOM 226 C ALA A 16 -9.042 4.893 7.200 1.00 0.00 C ATOM 227 O ALA A 16 -8.442 5.958 7.346 1.00 0.00 O ATOM 228 CB ALA A 16 -7.782 2.741 6.977 1.00 0.00 C ATOM 0 H ALA A 16 -9.884 2.001 8.024 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.933 3.924 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.933 3.298 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.422 1.867 7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.419 2.419 6.153 1.00 0.00 H new ATOM 234 N LEU A 17 -10.119 4.758 6.434 1.00 0.00 N ATOM 235 CA LEU A 17 -10.705 5.879 5.704 1.00 0.00 C ATOM 236 C LEU A 17 -11.085 7.004 6.662 1.00 0.00 C ATOM 237 O LEU A 17 -10.690 8.156 6.482 1.00 0.00 O ATOM 238 CB LEU A 17 -11.948 5.408 4.945 1.00 0.00 C ATOM 239 CG LEU A 17 -12.557 6.429 3.980 1.00 0.00 C ATOM 240 CD1 LEU A 17 -11.572 6.775 2.875 1.00 0.00 C ATOM 241 CD2 LEU A 17 -13.858 5.897 3.396 1.00 0.00 C ATOM 0 H LEU A 17 -10.609 3.873 6.301 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.967 6.257 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.690 4.511 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.709 5.121 5.671 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.778 7.341 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.023 7.502 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.668 7.199 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.317 5.873 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.278 6.634 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.662 4.971 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.566 5.704 4.202 1.00 0.00 H new ATOM 253 N LYS A 18 -11.848 6.644 7.685 1.00 0.00 N ATOM 254 CA LYS A 18 -12.293 7.587 8.708 1.00 0.00 C ATOM 255 C LYS A 18 -11.101 8.283 9.358 1.00 0.00 C ATOM 256 O LYS A 18 -11.068 9.512 9.487 1.00 0.00 O ATOM 257 CB LYS A 18 -13.093 6.839 9.777 1.00 0.00 C ATOM 258 CG LYS A 18 -13.719 7.741 10.820 1.00 0.00 C ATOM 259 CD LYS A 18 -14.901 8.504 10.247 1.00 0.00 C ATOM 260 CE LYS A 18 -15.527 9.426 11.279 1.00 0.00 C ATOM 261 NZ LYS A 18 -14.622 10.542 11.654 1.00 0.00 N ATOM 0 H LYS A 18 -12.177 5.690 7.831 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.921 8.343 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.880 6.262 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.436 6.126 10.275 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.046 7.144 11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.974 8.445 11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.575 9.089 9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.650 7.798 9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.458 9.832 10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.782 8.852 12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.140 11.227 12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.814 10.168 12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.277 11.013 10.794 1.00 0.00 H new ATOM 275 N ARG A 19 -10.119 7.480 9.746 1.00 0.00 N ATOM 276 CA ARG A 19 -8.919 7.961 10.385 1.00 0.00 C ATOM 277 C ARG A 19 -8.181 8.945 9.480 1.00 0.00 C ATOM 278 O ARG A 19 -7.686 9.969 9.935 1.00 0.00 O ATOM 279 CB ARG A 19 -8.035 6.761 10.714 1.00 0.00 C ATOM 280 CG ARG A 19 -6.682 7.132 11.264 1.00 0.00 C ATOM 281 CD ARG A 19 -6.782 7.715 12.663 1.00 0.00 C ATOM 282 NE ARG A 19 -5.469 7.964 13.249 1.00 0.00 N ATOM 283 CZ ARG A 19 -5.146 7.667 14.505 1.00 0.00 C ATOM 284 NH1 ARG A 19 -6.018 7.038 15.288 1.00 0.00 N ATOM 285 NH2 ARG A 19 -3.943 7.977 14.967 1.00 0.00 N ATOM 0 H ARG A 19 -10.141 6.468 9.621 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.176 8.492 11.301 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.550 6.130 11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.899 6.164 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.043 6.249 11.283 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.206 7.856 10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.345 8.647 12.627 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.340 7.030 13.302 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.755 8.392 12.660 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.937 6.782 14.926 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.768 6.811 16.251 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.268 8.442 14.360 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.692 7.751 15.929 1.00 0.00 H new ATOM 299 N ALA A 20 -8.132 8.635 8.197 1.00 0.00 N ATOM 300 CA ALA A 20 -7.433 9.476 7.240 1.00 0.00 C ATOM 301 C ALA A 20 -8.148 10.805 7.023 1.00 0.00 C ATOM 302 O ALA A 20 -7.509 11.819 6.745 1.00 0.00 O ATOM 303 CB ALA A 20 -7.275 8.744 5.925 1.00 0.00 C ATOM 0 H ALA A 20 -8.568 7.806 7.793 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.448 9.698 7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.750 9.382 5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.702 7.830 6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.259 8.492 5.529 1.00 0.00 H new ATOM 309 N GLU A 21 -9.471 10.801 7.152 1.00 0.00 N ATOM 310 CA GLU A 21 -10.248 12.022 6.975 1.00 0.00 C ATOM 311 C GLU A 21 -9.911 13.045 8.050 1.00 0.00 C ATOM 312 O GLU A 21 -9.678 14.214 7.746 1.00 0.00 O ATOM 313 CB GLU A 21 -11.749 11.739 6.999 1.00 0.00 C ATOM 314 CG GLU A 21 -12.247 10.940 5.809 1.00 0.00 C ATOM 315 CD GLU A 21 -13.758 10.900 5.741 1.00 0.00 C ATOM 316 OE1 GLU A 21 -14.382 10.294 6.636 1.00 0.00 O ATOM 317 OE2 GLU A 21 -14.332 11.481 4.794 1.00 0.00 O ATOM 0 H GLU A 21 -10.023 9.973 7.377 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.984 12.428 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.991 11.198 7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.286 12.687 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.855 11.376 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.860 9.923 5.869 1.00 0.00 H new ATOM 324 N VAL A 22 -9.880 12.603 9.301 1.00 0.00 N ATOM 325 CA VAL A 22 -9.612 13.507 10.416 1.00 0.00 C ATOM 326 C VAL A 22 -8.139 13.916 10.467 1.00 0.00 C ATOM 327 O VAL A 22 -7.802 14.981 10.981 1.00 0.00 O ATOM 328 CB VAL A 22 -10.036 12.895 11.770 1.00 0.00 C ATOM 329 CG1 VAL A 22 -11.536 12.648 11.790 1.00 0.00 C ATOM 330 CG2 VAL A 22 -9.277 11.607 12.056 1.00 0.00 C ATOM 0 H VAL A 22 -10.036 11.631 9.570 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.214 14.399 10.242 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.787 13.608 12.556 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.821 12.217 12.750 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.062 13.592 11.646 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.802 11.958 10.989 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.598 11.201 13.015 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.481 10.882 11.268 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.207 11.815 12.089 1.00 0.00 H new ATOM 340 N GLU A 23 -7.271 13.066 9.934 1.00 0.00 N ATOM 341 CA GLU A 23 -5.845 13.365 9.869 1.00 0.00 C ATOM 342 C GLU A 23 -5.529 14.209 8.635 1.00 0.00 C ATOM 343 O GLU A 23 -4.458 14.810 8.545 1.00 0.00 O ATOM 344 CB GLU A 23 -5.035 12.068 9.819 1.00 0.00 C ATOM 345 CG GLU A 23 -5.162 11.205 11.065 1.00 0.00 C ATOM 346 CD GLU A 23 -4.407 11.768 12.249 1.00 0.00 C ATOM 347 OE1 GLU A 23 -3.214 11.430 12.404 1.00 0.00 O ATOM 348 OE2 GLU A 23 -4.999 12.535 13.033 1.00 0.00 O ATOM 0 H GLU A 23 -7.530 12.162 9.539 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.574 13.927 10.763 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.354 11.487 8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.984 12.315 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.216 11.105 11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.791 10.203 10.847 1.00 0.00 H new ATOM 355 N ASP A 24 -6.486 14.253 7.703 1.00 0.00 N ATOM 356 CA ASP A 24 -6.300 14.888 6.396 1.00 0.00 C ATOM 357 C ASP A 24 -5.096 14.281 5.684 1.00 0.00 C ATOM 358 O ASP A 24 -4.043 14.909 5.541 1.00 0.00 O ATOM 359 CB ASP A 24 -6.160 16.412 6.513 1.00 0.00 C ATOM 360 CG ASP A 24 -6.055 17.091 5.157 1.00 0.00 C ATOM 361 OD1 ASP A 24 -6.973 16.911 4.326 1.00 0.00 O ATOM 362 OD2 ASP A 24 -5.054 17.800 4.916 1.00 0.00 O ATOM 0 H ASP A 24 -7.413 13.848 7.835 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.193 14.697 5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.019 16.813 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.275 16.648 7.104 1.00 0.00 H new ATOM 367 N LYS A 25 -5.256 13.034 5.268 1.00 0.00 N ATOM 368 CA LYS A 25 -4.172 12.280 4.666 1.00 0.00 C ATOM 369 C LYS A 25 -4.743 11.181 3.774 1.00 0.00 C ATOM 370 O LYS A 25 -5.866 10.729 3.989 1.00 0.00 O ATOM 371 CB LYS A 25 -3.296 11.695 5.781 1.00 0.00 C ATOM 372 CG LYS A 25 -1.995 11.076 5.305 1.00 0.00 C ATOM 373 CD LYS A 25 -1.074 10.773 6.477 1.00 0.00 C ATOM 374 CE LYS A 25 -0.634 12.048 7.178 1.00 0.00 C ATOM 375 NZ LYS A 25 0.242 11.773 8.349 1.00 0.00 N ATOM 0 H LYS A 25 -6.135 12.521 5.338 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.557 12.930 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.067 12.485 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.869 10.937 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.205 10.158 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.497 11.755 4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.587 10.124 7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.198 10.229 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.102 12.684 6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.513 12.602 7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.216 12.584 9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.095 10.922 8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.218 11.621 8.024 1.00 0.00 H new ATOM 389 N LEU A 26 -3.985 10.769 2.765 1.00 0.00 N ATOM 390 CA LEU A 26 -4.466 9.773 1.809 1.00 0.00 C ATOM 391 C LEU A 26 -4.166 8.357 2.290 1.00 0.00 C ATOM 392 O LEU A 26 -3.277 8.144 3.120 1.00 0.00 O ATOM 393 CB LEU A 26 -3.852 9.991 0.417 1.00 0.00 C ATOM 394 CG LEU A 26 -4.267 11.280 -0.305 1.00 0.00 C ATOM 395 CD1 LEU A 26 -3.526 12.488 0.256 1.00 0.00 C ATOM 396 CD2 LEU A 26 -4.026 11.148 -1.802 1.00 0.00 C ATOM 0 H LEU A 26 -3.039 11.106 2.586 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.546 9.896 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.766 9.986 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.119 9.143 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.332 11.436 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.840 13.387 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.754 12.595 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.453 12.348 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.325 12.070 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.968 10.963 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.613 10.317 -2.193 1.00 0.00 H new ATOM 408 N LEU A 27 -4.907 7.393 1.757 1.00 0.00 N ATOM 409 CA LEU A 27 -4.757 5.999 2.152 1.00 0.00 C ATOM 410 C LEU A 27 -3.808 5.264 1.221 1.00 0.00 C ATOM 411 O LEU A 27 -4.024 5.214 0.008 1.00 0.00 O ATOM 412 CB LEU A 27 -6.110 5.271 2.150 1.00 0.00 C ATOM 413 CG LEU A 27 -7.092 5.648 3.263 1.00 0.00 C ATOM 414 CD1 LEU A 27 -6.409 5.591 4.619 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.703 7.019 3.011 1.00 0.00 C ATOM 0 H LEU A 27 -5.621 7.553 1.047 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.348 6.000 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.595 5.455 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.921 4.199 2.211 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.904 4.921 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.122 5.862 5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.042 4.581 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.572 6.289 4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.396 7.262 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.912 7.769 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.238 7.010 2.062 1.00 0.00 H new ATOM 427 N PHE A 28 -2.762 4.693 1.790 1.00 0.00 N ATOM 428 CA PHE A 28 -1.875 3.824 1.048 1.00 0.00 C ATOM 429 C PHE A 28 -2.075 2.396 1.528 1.00 0.00 C ATOM 430 O PHE A 28 -1.610 2.019 2.603 1.00 0.00 O ATOM 431 CB PHE A 28 -0.413 4.246 1.214 1.00 0.00 C ATOM 432 CG PHE A 28 0.546 3.352 0.483 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.592 3.352 -0.900 1.00 0.00 C ATOM 434 CD2 PHE A 28 1.388 2.497 1.178 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.461 2.521 -1.579 1.00 0.00 C ATOM 436 CE2 PHE A 28 2.256 1.662 0.507 1.00 0.00 C ATOM 437 CZ PHE A 28 2.293 1.673 -0.874 1.00 0.00 C ATOM 0 H PHE A 28 -2.507 4.818 2.770 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.113 3.896 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.293 5.268 0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.160 4.249 2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.060 4.010 -1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.364 2.485 2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.490 2.534 -2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.906 1.000 1.060 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.972 1.019 -1.402 1.00 0.00 H new ATOM 447 N VAL A 29 -2.801 1.617 0.749 1.00 0.00 N ATOM 448 CA VAL A 29 -3.134 0.258 1.135 1.00 0.00 C ATOM 449 C VAL A 29 -2.230 -0.738 0.424 1.00 0.00 C ATOM 450 O VAL A 29 -2.196 -0.785 -0.806 1.00 0.00 O ATOM 451 CB VAL A 29 -4.606 -0.068 0.804 1.00 0.00 C ATOM 452 CG1 VAL A 29 -4.987 -1.445 1.319 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.535 0.992 1.375 1.00 0.00 C ATOM 0 H VAL A 29 -3.172 1.902 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.986 0.178 2.212 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.713 -0.070 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.029 -1.650 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.349 -2.197 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.857 -1.478 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.567 0.742 1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.419 1.032 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.286 1.963 0.947 1.00 0.00 H new ATOM 463 N ASP A 30 -1.495 -1.522 1.197 1.00 0.00 N ATOM 464 CA ASP A 30 -0.659 -2.575 0.638 1.00 0.00 C ATOM 465 C ASP A 30 -1.294 -3.933 0.879 1.00 0.00 C ATOM 466 O ASP A 30 -1.706 -4.253 1.999 1.00 0.00 O ATOM 467 CB ASP A 30 0.748 -2.558 1.235 1.00 0.00 C ATOM 468 CG ASP A 30 1.569 -3.754 0.783 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.921 -3.816 -0.416 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.850 -4.635 1.623 1.00 0.00 O ATOM 0 H ASP A 30 -1.460 -1.450 2.214 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.577 -2.391 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.255 -1.638 0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.681 -2.554 2.323 1.00 0.00 H new ATOM 475 N CYS A 31 -1.422 -4.707 -0.182 1.00 0.00 N ATOM 476 CA CYS A 31 -1.925 -6.060 -0.078 1.00 0.00 C ATOM 477 C CYS A 31 -0.926 -7.040 -0.672 1.00 0.00 C ATOM 478 O CYS A 31 -0.712 -7.067 -1.885 1.00 0.00 O ATOM 479 CB CYS A 31 -3.271 -6.181 -0.790 1.00 0.00 C ATOM 480 SG CYS A 31 -4.568 -5.145 -0.076 1.00 0.00 S ATOM 0 H CYS A 31 -1.182 -4.418 -1.130 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.065 -6.300 0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.142 -5.914 -1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.594 -7.222 -0.763 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.672 -5.310 -0.743 1.00 0.00 H new ATOM 486 N PHE A 32 -0.326 -7.849 0.177 1.00 0.00 N ATOM 487 CA PHE A 32 0.607 -8.865 -0.274 1.00 0.00 C ATOM 488 C PHE A 32 -0.031 -10.236 -0.141 1.00 0.00 C ATOM 489 O PHE A 32 -0.972 -10.419 0.632 1.00 0.00 O ATOM 490 CB PHE A 32 1.921 -8.790 0.518 1.00 0.00 C ATOM 491 CG PHE A 32 1.758 -8.933 2.007 1.00 0.00 C ATOM 492 CD1 PHE A 32 1.385 -7.848 2.784 1.00 0.00 C ATOM 493 CD2 PHE A 32 1.983 -10.150 2.628 1.00 0.00 C ATOM 494 CE1 PHE A 32 1.237 -7.976 4.151 1.00 0.00 C ATOM 495 CE2 PHE A 32 1.840 -10.284 3.993 1.00 0.00 C ATOM 496 CZ PHE A 32 1.466 -9.195 4.757 1.00 0.00 C ATOM 0 H PHE A 32 -0.468 -7.824 1.187 1.00 0.00 H new ATOM 0 HA PHE A 32 0.845 -8.688 -1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.591 -9.572 0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.404 -7.836 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.208 -6.891 2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.274 -11.005 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.942 -7.124 4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.020 -11.239 4.464 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.353 -9.297 5.826 1.00 0.00 H new ATOM 506 N THR A 33 0.470 -11.195 -0.896 1.00 0.00 N ATOM 507 CA THR A 33 -0.082 -12.536 -0.871 1.00 0.00 C ATOM 508 C THR A 33 0.778 -13.448 0.012 1.00 0.00 C ATOM 509 O THR A 33 1.914 -13.105 0.355 1.00 0.00 O ATOM 510 CB THR A 33 -0.190 -13.103 -2.302 1.00 0.00 C ATOM 511 OG1 THR A 33 -0.687 -12.084 -3.184 1.00 0.00 O ATOM 512 CG2 THR A 33 -1.125 -14.304 -2.351 1.00 0.00 C ATOM 0 H THR A 33 1.257 -11.071 -1.533 1.00 0.00 H new ATOM 0 HA THR A 33 -1.085 -12.493 -0.447 1.00 0.00 H new ATOM 0 HB THR A 33 0.803 -13.425 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.042 -11.348 -3.230 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.180 -14.681 -3.372 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.746 -15.088 -1.695 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.120 -14.005 -2.021 1.00 0.00 H new ATOM 520 N THR A 34 0.224 -14.593 0.400 1.00 0.00 N ATOM 521 CA THR A 34 0.879 -15.498 1.335 1.00 0.00 C ATOM 522 C THR A 34 2.051 -16.254 0.710 1.00 0.00 C ATOM 523 O THR A 34 2.936 -16.723 1.428 1.00 0.00 O ATOM 524 CB THR A 34 -0.132 -16.503 1.911 1.00 0.00 C ATOM 525 OG1 THR A 34 -0.999 -16.972 0.870 1.00 0.00 O ATOM 526 CG2 THR A 34 -0.956 -15.867 3.017 1.00 0.00 C ATOM 0 H THR A 34 -0.687 -14.917 0.076 1.00 0.00 H new ATOM 0 HA THR A 34 1.281 -14.875 2.134 1.00 0.00 H new ATOM 0 HB THR A 34 0.420 -17.344 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.640 -17.613 1.242 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.664 -16.597 3.409 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.295 -15.536 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.501 -15.011 2.619 1.00 0.00 H new ATOM 534 N TRP A 35 2.065 -16.379 -0.616 1.00 0.00 N ATOM 535 CA TRP A 35 3.169 -17.057 -1.289 1.00 0.00 C ATOM 536 C TRP A 35 4.455 -16.267 -1.119 1.00 0.00 C ATOM 537 O TRP A 35 4.427 -15.068 -0.822 1.00 0.00 O ATOM 538 CB TRP A 35 2.893 -17.252 -2.776 1.00 0.00 C ATOM 539 CG TRP A 35 1.719 -18.123 -3.069 1.00 0.00 C ATOM 540 CD1 TRP A 35 1.532 -19.416 -2.679 1.00 0.00 C ATOM 541 CD2 TRP A 35 0.577 -17.765 -3.838 1.00 0.00 C ATOM 542 NE1 TRP A 35 0.327 -19.878 -3.151 1.00 0.00 N ATOM 543 CE2 TRP A 35 -0.278 -18.879 -3.872 1.00 0.00 C ATOM 544 CE3 TRP A 35 0.199 -16.599 -4.495 1.00 0.00 C ATOM 545 CZ2 TRP A 35 -1.496 -18.858 -4.549 1.00 0.00 C ATOM 546 CZ3 TRP A 35 -1.008 -16.575 -5.167 1.00 0.00 C ATOM 547 CH2 TRP A 35 -1.843 -17.699 -5.191 1.00 0.00 C ATOM 0 H TRP A 35 1.337 -16.026 -1.236 1.00 0.00 H new ATOM 0 HA TRP A 35 3.273 -18.039 -0.828 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.732 -16.277 -3.235 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.777 -17.683 -3.245 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.228 -19.992 -2.087 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.055 -20.810 -2.992 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.837 -15.728 -4.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.142 -19.723 -4.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.312 -15.676 -5.682 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.780 -17.651 -5.727 1.00 0.00 H new ATOM 558 N CYS A 36 5.576 -16.929 -1.321 1.00 0.00 N ATOM 559 CA CYS A 36 6.863 -16.297 -1.132 1.00 0.00 C ATOM 560 C CYS A 36 7.362 -15.674 -2.430 1.00 0.00 C ATOM 561 O CYS A 36 6.749 -15.835 -3.485 1.00 0.00 O ATOM 562 CB CYS A 36 7.872 -17.314 -0.595 1.00 0.00 C ATOM 563 SG CYS A 36 8.081 -18.773 -1.645 1.00 0.00 S ATOM 0 H CYS A 36 5.621 -17.904 -1.616 1.00 0.00 H new ATOM 0 HA CYS A 36 6.751 -15.496 -0.402 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.838 -16.823 -0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.554 -17.636 0.397 1.00 0.00 H new ATOM 0 HG CYS A 36 6.943 -19.391 -1.761 1.00 0.00 H new ATOM 569 N GLY A 37 8.470 -14.951 -2.340 1.00 0.00 N ATOM 570 CA GLY A 37 9.041 -14.323 -3.510 1.00 0.00 C ATOM 571 C GLY A 37 9.077 -12.813 -3.394 1.00 0.00 C ATOM 572 O GLY A 37 9.847 -12.269 -2.595 1.00 0.00 O ATOM 0 H GLY A 37 8.983 -14.789 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.053 -14.697 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.461 -14.604 -4.389 1.00 0.00 H new ATOM 576 N PRO A 38 8.236 -12.113 -4.175 1.00 0.00 N ATOM 577 CA PRO A 38 8.186 -10.643 -4.197 1.00 0.00 C ATOM 578 C PRO A 38 7.965 -10.026 -2.817 1.00 0.00 C ATOM 579 O PRO A 38 8.409 -8.908 -2.555 1.00 0.00 O ATOM 580 CB PRO A 38 6.992 -10.338 -5.105 1.00 0.00 C ATOM 581 CG PRO A 38 6.842 -11.546 -5.962 1.00 0.00 C ATOM 582 CD PRO A 38 7.275 -12.711 -5.119 1.00 0.00 C ATOM 0 HA PRO A 38 9.131 -10.223 -4.542 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.090 -10.153 -4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.171 -9.447 -5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.810 -11.665 -6.290 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.455 -11.465 -6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.432 -13.166 -4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.737 -13.493 -5.722 1.00 0.00 H new ATOM 590 N CYS A 39 7.281 -10.756 -1.942 1.00 0.00 N ATOM 591 CA CYS A 39 6.996 -10.273 -0.597 1.00 0.00 C ATOM 592 C CYS A 39 8.288 -10.014 0.179 1.00 0.00 C ATOM 593 O CYS A 39 8.544 -8.891 0.604 1.00 0.00 O ATOM 594 CB CYS A 39 6.116 -11.282 0.144 1.00 0.00 C ATOM 595 SG CYS A 39 4.591 -11.700 -0.731 1.00 0.00 S ATOM 0 H CYS A 39 6.913 -11.686 -2.142 1.00 0.00 H new ATOM 0 HA CYS A 39 6.460 -9.327 -0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.688 -12.194 0.313 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.863 -10.878 1.124 1.00 0.00 H new ATOM 0 HG CYS A 39 3.758 -12.264 0.093 1.00 0.00 H new ATOM 601 N LYS A 40 9.118 -11.044 0.327 1.00 0.00 N ATOM 602 CA LYS A 40 10.374 -10.915 1.067 1.00 0.00 C ATOM 603 C LYS A 40 11.312 -9.933 0.374 1.00 0.00 C ATOM 604 O LYS A 40 12.102 -9.246 1.022 1.00 0.00 O ATOM 605 CB LYS A 40 11.059 -12.275 1.196 1.00 0.00 C ATOM 606 CG LYS A 40 12.370 -12.231 1.966 1.00 0.00 C ATOM 607 CD LYS A 40 13.055 -13.586 1.989 1.00 0.00 C ATOM 608 CE LYS A 40 12.202 -14.628 2.688 1.00 0.00 C ATOM 609 NZ LYS A 40 12.865 -15.955 2.709 1.00 0.00 N ATOM 0 H LYS A 40 8.946 -11.975 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 40 10.141 -10.536 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.380 -12.968 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.247 -12.673 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.034 -11.495 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.181 -11.902 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.261 -13.908 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.016 -13.501 2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.999 -14.306 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.240 -14.710 2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.253 -16.641 3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.036 -16.273 1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.771 -15.882 3.214 1.00 0.00 H new ATOM 623 N ARG A 41 11.206 -9.874 -0.948 1.00 0.00 N ATOM 624 CA ARG A 41 12.007 -8.960 -1.747 1.00 0.00 C ATOM 625 C ARG A 41 11.781 -7.530 -1.268 1.00 0.00 C ATOM 626 O ARG A 41 12.721 -6.750 -1.118 1.00 0.00 O ATOM 627 CB ARG A 41 11.625 -9.093 -3.223 1.00 0.00 C ATOM 628 CG ARG A 41 12.739 -8.753 -4.191 1.00 0.00 C ATOM 629 CD ARG A 41 13.969 -9.561 -3.867 1.00 0.00 C ATOM 630 NE ARG A 41 14.943 -9.565 -4.958 1.00 0.00 N ATOM 631 CZ ARG A 41 16.222 -9.222 -4.830 1.00 0.00 C ATOM 632 NH1 ARG A 41 16.690 -8.780 -3.669 1.00 0.00 N ATOM 633 NH2 ARG A 41 17.036 -9.314 -5.874 1.00 0.00 N ATOM 0 H ARG A 41 10.567 -10.454 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 41 13.063 -9.208 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.297 -10.116 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.774 -8.443 -3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.419 -8.957 -5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.968 -7.689 -4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.437 -9.159 -2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.677 -10.587 -3.642 1.00 0.00 H new ATOM 0 HE ARG A 41 14.619 -9.851 -5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.067 -8.701 -2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.672 -8.520 -3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.680 -9.647 -6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.017 -9.052 -5.780 1.00 0.00 H new ATOM 647 N LEU A 42 10.523 -7.211 -0.995 1.00 0.00 N ATOM 648 CA LEU A 42 10.160 -5.908 -0.465 1.00 0.00 C ATOM 649 C LEU A 42 10.519 -5.814 1.013 1.00 0.00 C ATOM 650 O LEU A 42 11.076 -4.807 1.458 1.00 0.00 O ATOM 651 CB LEU A 42 8.663 -5.649 -0.655 1.00 0.00 C ATOM 652 CG LEU A 42 8.194 -5.588 -2.107 1.00 0.00 C ATOM 653 CD1 LEU A 42 6.692 -5.359 -2.169 1.00 0.00 C ATOM 654 CD2 LEU A 42 8.938 -4.493 -2.859 1.00 0.00 C ATOM 0 H LEU A 42 9.734 -7.842 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 42 10.720 -5.150 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.107 -6.434 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.408 -4.708 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 42 8.415 -6.542 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.373 -5.318 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.178 -6.177 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.447 -4.418 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.593 -4.462 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.747 -3.531 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.008 -4.701 -2.840 1.00 0.00 H new ATOM 666 N SER A 43 10.219 -6.875 1.757 1.00 0.00 N ATOM 667 CA SER A 43 10.466 -6.925 3.194 1.00 0.00 C ATOM 668 C SER A 43 11.908 -6.557 3.539 1.00 0.00 C ATOM 669 O SER A 43 12.174 -6.012 4.609 1.00 0.00 O ATOM 670 CB SER A 43 10.137 -8.314 3.739 1.00 0.00 C ATOM 671 OG SER A 43 8.779 -8.645 3.505 1.00 0.00 O ATOM 0 H SER A 43 9.798 -7.724 1.380 1.00 0.00 H new ATOM 0 HA SER A 43 9.815 -6.187 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.782 -9.055 3.267 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.343 -8.347 4.809 1.00 0.00 H new ATOM 0 HG SER A 43 8.638 -8.789 2.546 1.00 0.00 H new ATOM 677 N LYS A 44 12.837 -6.853 2.645 1.00 0.00 N ATOM 678 CA LYS A 44 14.228 -6.510 2.882 1.00 0.00 C ATOM 679 C LYS A 44 14.557 -5.109 2.368 1.00 0.00 C ATOM 680 O LYS A 44 15.177 -4.315 3.077 1.00 0.00 O ATOM 681 CB LYS A 44 15.159 -7.535 2.236 1.00 0.00 C ATOM 682 CG LYS A 44 16.625 -7.262 2.520 1.00 0.00 C ATOM 683 CD LYS A 44 17.522 -8.363 1.986 1.00 0.00 C ATOM 684 CE LYS A 44 18.971 -8.120 2.377 1.00 0.00 C ATOM 685 NZ LYS A 44 19.123 -7.959 3.847 1.00 0.00 N ATOM 0 H LYS A 44 12.656 -7.324 1.759 1.00 0.00 H new ATOM 0 HA LYS A 44 14.384 -6.521 3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.903 -8.530 2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.997 -7.537 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.911 -6.311 2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.774 -7.163 3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.193 -9.326 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.437 -8.412 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.585 -8.954 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.339 -7.227 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.004 -8.417 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.157 -6.947 4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.315 -8.401 4.330 1.00 0.00 H new ATOM 699 N VAL A 45 14.124 -4.797 1.151 1.00 0.00 N ATOM 700 CA VAL A 45 14.556 -3.572 0.483 1.00 0.00 C ATOM 701 C VAL A 45 13.774 -2.336 0.937 1.00 0.00 C ATOM 702 O VAL A 45 14.368 -1.348 1.374 1.00 0.00 O ATOM 703 CB VAL A 45 14.446 -3.709 -1.051 1.00 0.00 C ATOM 704 CG1 VAL A 45 14.873 -2.424 -1.745 1.00 0.00 C ATOM 705 CG2 VAL A 45 15.283 -4.881 -1.543 1.00 0.00 C ATOM 0 H VAL A 45 13.478 -5.371 0.609 1.00 0.00 H new ATOM 0 HA VAL A 45 15.598 -3.429 0.768 1.00 0.00 H new ATOM 0 HB VAL A 45 13.402 -3.898 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 45 14.786 -2.547 -2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 45 14.231 -1.605 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 45 15.908 -2.198 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 45 15.194 -4.963 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.327 -4.720 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.928 -5.801 -1.079 1.00 0.00 H new ATOM 715 N VAL A 46 12.453 -2.380 0.858 1.00 0.00 N ATOM 716 CA VAL A 46 11.657 -1.194 1.164 1.00 0.00 C ATOM 717 C VAL A 46 11.427 -1.046 2.664 1.00 0.00 C ATOM 718 O VAL A 46 11.151 0.044 3.155 1.00 0.00 O ATOM 719 CB VAL A 46 10.305 -1.169 0.415 1.00 0.00 C ATOM 720 CG1 VAL A 46 10.532 -1.178 -1.088 1.00 0.00 C ATOM 721 CG2 VAL A 46 9.415 -2.328 0.829 1.00 0.00 C ATOM 0 H VAL A 46 11.915 -3.204 0.591 1.00 0.00 H new ATOM 0 HA VAL A 46 12.242 -0.344 0.812 1.00 0.00 H new ATOM 0 HB VAL A 46 9.791 -0.247 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.571 -1.160 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.112 -0.301 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.076 -2.080 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.474 -2.277 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.916 -3.270 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.216 -2.270 1.899 1.00 0.00 H new ATOM 731 N PHE A 47 11.553 -2.146 3.391 1.00 0.00 N ATOM 732 CA PHE A 47 11.413 -2.120 4.842 1.00 0.00 C ATOM 733 C PHE A 47 12.765 -1.905 5.520 1.00 0.00 C ATOM 734 O PHE A 47 13.012 -2.399 6.622 1.00 0.00 O ATOM 735 CB PHE A 47 10.764 -3.411 5.345 1.00 0.00 C ATOM 736 CG PHE A 47 9.305 -3.526 5.001 1.00 0.00 C ATOM 737 CD1 PHE A 47 8.898 -4.112 3.813 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.339 -3.046 5.869 1.00 0.00 C ATOM 739 CE1 PHE A 47 7.558 -4.219 3.498 1.00 0.00 C ATOM 740 CE2 PHE A 47 6.996 -3.149 5.558 1.00 0.00 C ATOM 741 CZ PHE A 47 6.605 -3.738 4.371 1.00 0.00 C ATOM 0 H PHE A 47 11.752 -3.068 3.002 1.00 0.00 H new ATOM 0 HA PHE A 47 10.766 -1.282 5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.296 -4.263 4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.879 -3.468 6.427 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.639 -4.490 3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.638 -2.586 6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.256 -4.679 2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.252 -2.769 6.243 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.556 -3.821 4.128 1.00 0.00 H new ATOM 751 N LYS A 48 13.632 -1.157 4.856 1.00 0.00 N ATOM 752 CA LYS A 48 14.900 -0.758 5.447 1.00 0.00 C ATOM 753 C LYS A 48 15.110 0.739 5.303 1.00 0.00 C ATOM 754 O LYS A 48 15.254 1.446 6.298 1.00 0.00 O ATOM 755 CB LYS A 48 16.079 -1.485 4.801 1.00 0.00 C ATOM 756 CG LYS A 48 17.428 -0.941 5.258 1.00 0.00 C ATOM 757 CD LYS A 48 18.574 -1.482 4.425 1.00 0.00 C ATOM 758 CE LYS A 48 19.886 -0.780 4.749 1.00 0.00 C ATOM 759 NZ LYS A 48 19.839 0.675 4.436 1.00 0.00 N ATOM 0 H LYS A 48 13.481 -0.814 3.907 1.00 0.00 H new ATOM 0 HA LYS A 48 14.856 -1.027 6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.020 -2.547 5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.005 -1.397 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.419 0.147 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.587 -1.201 6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.680 -2.552 4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.346 -1.356 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.117 -0.915 5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.694 -1.245 4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.661 0.931 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.965 0.890 3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.858 1.221 5.321 1.00 0.00 H new ATOM 773 N ASP A 49 15.121 1.203 4.057 1.00 0.00 N ATOM 774 CA ASP A 49 15.480 2.582 3.744 1.00 0.00 C ATOM 775 C ASP A 49 14.658 3.573 4.550 1.00 0.00 C ATOM 776 O ASP A 49 13.435 3.642 4.419 1.00 0.00 O ATOM 777 CB ASP A 49 15.310 2.861 2.257 1.00 0.00 C ATOM 778 CG ASP A 49 15.982 4.153 1.844 1.00 0.00 C ATOM 779 OD1 ASP A 49 17.209 4.128 1.610 1.00 0.00 O ATOM 780 OD2 ASP A 49 15.296 5.193 1.762 1.00 0.00 O ATOM 0 H ASP A 49 14.883 0.638 3.241 1.00 0.00 H new ATOM 0 HA ASP A 49 16.528 2.710 4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.728 2.035 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.248 2.911 2.016 1.00 0.00 H new ATOM 785 N SER A 50 15.349 4.346 5.372 1.00 0.00 N ATOM 786 CA SER A 50 14.707 5.266 6.289 1.00 0.00 C ATOM 787 C SER A 50 14.046 6.424 5.553 1.00 0.00 C ATOM 788 O SER A 50 13.046 6.966 6.015 1.00 0.00 O ATOM 789 CB SER A 50 15.731 5.778 7.299 1.00 0.00 C ATOM 790 OG SER A 50 16.957 6.103 6.663 1.00 0.00 O ATOM 0 H SER A 50 16.368 4.352 5.420 1.00 0.00 H new ATOM 0 HA SER A 50 13.918 4.731 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.337 6.658 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.904 5.020 8.063 1.00 0.00 H new ATOM 0 HG SER A 50 17.595 6.430 7.331 1.00 0.00 H new ATOM 796 N LEU A 51 14.597 6.793 4.402 1.00 0.00 N ATOM 797 CA LEU A 51 14.046 7.878 3.608 1.00 0.00 C ATOM 798 C LEU A 51 12.725 7.458 2.976 1.00 0.00 C ATOM 799 O LEU A 51 11.729 8.183 3.052 1.00 0.00 O ATOM 800 CB LEU A 51 15.050 8.304 2.539 1.00 0.00 C ATOM 801 CG LEU A 51 16.376 8.840 3.082 1.00 0.00 C ATOM 802 CD1 LEU A 51 17.313 9.204 1.942 1.00 0.00 C ATOM 803 CD2 LEU A 51 16.136 10.040 3.983 1.00 0.00 C ATOM 0 H LEU A 51 15.426 6.354 4.000 1.00 0.00 H new ATOM 0 HA LEU A 51 13.852 8.730 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.256 7.450 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.592 9.072 1.915 1.00 0.00 H new ATOM 0 HG LEU A 51 16.848 8.056 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.251 9.583 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.511 8.319 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.850 9.971 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.090 10.408 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 51 15.642 10.828 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 51 15.504 9.745 4.821 1.00 0.00 H new ATOM 815 N VAL A 52 12.723 6.281 2.358 1.00 0.00 N ATOM 816 CA VAL A 52 11.502 5.710 1.802 1.00 0.00 C ATOM 817 C VAL A 52 10.469 5.498 2.905 1.00 0.00 C ATOM 818 O VAL A 52 9.304 5.875 2.763 1.00 0.00 O ATOM 819 CB VAL A 52 11.780 4.369 1.082 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.488 3.728 0.595 1.00 0.00 C ATOM 821 CG2 VAL A 52 12.737 4.576 -0.083 1.00 0.00 C ATOM 0 H VAL A 52 13.554 5.704 2.230 1.00 0.00 H new ATOM 0 HA VAL A 52 11.111 6.415 1.068 1.00 0.00 H new ATOM 0 HB VAL A 52 12.244 3.694 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.715 2.787 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.834 3.537 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.989 4.400 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.921 3.622 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.298 5.275 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.679 4.980 0.287 1.00 0.00 H new ATOM 831 N ALA A 53 10.915 4.914 4.010 1.00 0.00 N ATOM 832 CA ALA A 53 10.048 4.657 5.152 1.00 0.00 C ATOM 833 C ALA A 53 9.466 5.951 5.710 1.00 0.00 C ATOM 834 O ALA A 53 8.300 6.000 6.104 1.00 0.00 O ATOM 835 CB ALA A 53 10.815 3.916 6.235 1.00 0.00 C ATOM 0 H ALA A 53 11.879 4.608 4.139 1.00 0.00 H new ATOM 0 HA ALA A 53 9.219 4.036 4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.157 3.729 7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.176 2.966 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.662 4.520 6.559 1.00 0.00 H new ATOM 841 N ASP A 54 10.285 6.993 5.748 1.00 0.00 N ATOM 842 CA ASP A 54 9.857 8.290 6.258 1.00 0.00 C ATOM 843 C ASP A 54 8.758 8.873 5.389 1.00 0.00 C ATOM 844 O ASP A 54 7.743 9.348 5.895 1.00 0.00 O ATOM 845 CB ASP A 54 11.039 9.263 6.316 1.00 0.00 C ATOM 846 CG ASP A 54 10.657 10.626 6.859 1.00 0.00 C ATOM 847 OD1 ASP A 54 10.678 10.805 8.097 1.00 0.00 O ATOM 848 OD2 ASP A 54 10.354 11.530 6.055 1.00 0.00 O ATOM 0 H ASP A 54 11.254 6.966 5.430 1.00 0.00 H new ATOM 0 HA ASP A 54 9.469 8.142 7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.824 8.836 6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.456 9.380 5.316 1.00 0.00 H new ATOM 853 N TYR A 55 8.957 8.808 4.081 1.00 0.00 N ATOM 854 CA TYR A 55 8.027 9.399 3.131 1.00 0.00 C ATOM 855 C TYR A 55 6.642 8.766 3.249 1.00 0.00 C ATOM 856 O TYR A 55 5.634 9.474 3.306 1.00 0.00 O ATOM 857 CB TYR A 55 8.558 9.235 1.705 1.00 0.00 C ATOM 858 CG TYR A 55 7.851 10.104 0.687 1.00 0.00 C ATOM 859 CD1 TYR A 55 8.151 11.454 0.579 1.00 0.00 C ATOM 860 CD2 TYR A 55 6.892 9.575 -0.169 1.00 0.00 C ATOM 861 CE1 TYR A 55 7.517 12.254 -0.350 1.00 0.00 C ATOM 862 CE2 TYR A 55 6.255 10.372 -1.104 1.00 0.00 C ATOM 863 CZ TYR A 55 6.573 11.710 -1.190 1.00 0.00 C ATOM 864 OH TYR A 55 5.949 12.510 -2.119 1.00 0.00 O ATOM 0 H TYR A 55 9.760 8.349 3.651 1.00 0.00 H new ATOM 0 HA TYR A 55 7.936 10.460 3.362 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.622 9.471 1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.460 8.191 1.408 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.894 11.887 1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.640 8.527 -0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.761 13.304 -0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 55 5.512 9.947 -1.763 1.00 0.00 H new ATOM 0 HH TYR A 55 6.556 13.230 -2.391 1.00 0.00 H new ATOM 874 N PHE A 56 6.595 7.438 3.294 1.00 0.00 N ATOM 875 CA PHE A 56 5.326 6.726 3.384 1.00 0.00 C ATOM 876 C PHE A 56 4.672 6.906 4.750 1.00 0.00 C ATOM 877 O PHE A 56 3.489 7.230 4.833 1.00 0.00 O ATOM 878 CB PHE A 56 5.516 5.241 3.080 1.00 0.00 C ATOM 879 CG PHE A 56 5.653 4.945 1.613 1.00 0.00 C ATOM 880 CD1 PHE A 56 4.534 4.907 0.797 1.00 0.00 C ATOM 881 CD2 PHE A 56 6.897 4.705 1.051 1.00 0.00 C ATOM 882 CE1 PHE A 56 4.652 4.636 -0.553 1.00 0.00 C ATOM 883 CE2 PHE A 56 7.021 4.432 -0.298 1.00 0.00 C ATOM 884 CZ PHE A 56 5.897 4.397 -1.101 1.00 0.00 C ATOM 0 H PHE A 56 7.418 6.836 3.270 1.00 0.00 H new ATOM 0 HA PHE A 56 4.660 7.157 2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.404 4.882 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.667 4.685 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.558 5.091 1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.779 4.732 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.772 4.611 -1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.996 4.246 -0.724 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.992 4.183 -2.155 1.00 0.00 H new ATOM 894 N ASN A 57 5.442 6.705 5.816 1.00 0.00 N ATOM 895 CA ASN A 57 4.922 6.827 7.180 1.00 0.00 C ATOM 896 C ASN A 57 4.386 8.232 7.448 1.00 0.00 C ATOM 897 O ASN A 57 3.454 8.411 8.229 1.00 0.00 O ATOM 898 CB ASN A 57 6.010 6.490 8.208 1.00 0.00 C ATOM 899 CG ASN A 57 6.158 4.997 8.469 1.00 0.00 C ATOM 900 OD1 ASN A 57 5.843 4.163 7.621 1.00 0.00 O ATOM 901 ND2 ASN A 57 6.661 4.649 9.646 1.00 0.00 N ATOM 0 H ASN A 57 6.430 6.456 5.764 1.00 0.00 H new ATOM 0 HA ASN A 57 4.101 6.117 7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.964 6.886 7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.780 6.994 9.147 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.797 3.664 9.871 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.911 5.367 10.326 1.00 0.00 H new ATOM 908 N ARG A 58 4.979 9.220 6.795 1.00 0.00 N ATOM 909 CA ARG A 58 4.615 10.611 7.019 1.00 0.00 C ATOM 910 C ARG A 58 3.467 11.058 6.116 1.00 0.00 C ATOM 911 O ARG A 58 2.455 11.564 6.593 1.00 0.00 O ATOM 912 CB ARG A 58 5.831 11.504 6.781 1.00 0.00 C ATOM 913 CG ARG A 58 5.609 12.964 7.136 1.00 0.00 C ATOM 914 CD ARG A 58 6.856 13.791 6.871 1.00 0.00 C ATOM 915 NE ARG A 58 8.029 13.222 7.526 1.00 0.00 N ATOM 916 CZ ARG A 58 8.714 13.832 8.490 1.00 0.00 C ATOM 917 NH1 ARG A 58 8.390 15.063 8.868 1.00 0.00 N ATOM 918 NH2 ARG A 58 9.738 13.217 9.062 1.00 0.00 N ATOM 0 H ARG A 58 5.717 9.084 6.104 1.00 0.00 H new ATOM 0 HA ARG A 58 4.277 10.701 8.051 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.668 11.123 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.118 11.436 5.732 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.777 13.360 6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.331 13.047 8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.032 13.851 5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.699 14.810 7.225 1.00 0.00 H new ATOM 0 HE ARG A 58 8.344 12.299 7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.612 15.546 8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.919 15.525 9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.000 12.278 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.264 13.683 9.801 1.00 0.00 H new ATOM 932 N HIS A 59 3.619 10.861 4.812 1.00 0.00 N ATOM 933 CA HIS A 59 2.701 11.455 3.843 1.00 0.00 C ATOM 934 C HIS A 59 1.446 10.622 3.619 1.00 0.00 C ATOM 935 O HIS A 59 0.440 11.136 3.129 1.00 0.00 O ATOM 936 CB HIS A 59 3.403 11.682 2.506 1.00 0.00 C ATOM 937 CG HIS A 59 4.370 12.823 2.517 1.00 0.00 C ATOM 938 ND1 HIS A 59 4.093 14.043 1.944 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.616 12.930 3.035 1.00 0.00 C ATOM 940 CE1 HIS A 59 5.124 14.848 2.109 1.00 0.00 C ATOM 941 NE2 HIS A 59 6.063 14.201 2.767 1.00 0.00 N ATOM 0 H HIS A 59 4.364 10.298 4.401 1.00 0.00 H new ATOM 0 HA HIS A 59 2.388 12.408 4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.933 10.772 2.226 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.651 11.863 1.738 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.158 12.159 3.562 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.188 15.869 1.762 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.972 14.580 3.034 1.00 0.00 H new ATOM 950 N PHE A 60 1.492 9.346 3.967 1.00 0.00 N ATOM 951 CA PHE A 60 0.364 8.463 3.704 1.00 0.00 C ATOM 952 C PHE A 60 -0.040 7.688 4.950 1.00 0.00 C ATOM 953 O PHE A 60 0.715 7.605 5.920 1.00 0.00 O ATOM 954 CB PHE A 60 0.701 7.482 2.578 1.00 0.00 C ATOM 955 CG PHE A 60 0.924 8.144 1.247 1.00 0.00 C ATOM 956 CD1 PHE A 60 -0.151 8.500 0.450 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.208 8.409 0.792 1.00 0.00 C ATOM 958 CE1 PHE A 60 0.047 9.106 -0.774 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.411 9.014 -0.433 1.00 0.00 C ATOM 960 CZ PHE A 60 1.330 9.364 -1.216 1.00 0.00 C ATOM 0 H PHE A 60 2.287 8.902 4.427 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.475 9.089 3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.596 6.923 2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.109 6.759 2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.156 8.301 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.057 8.139 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.800 9.378 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.415 9.213 -0.778 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.487 9.839 -2.173 1.00 0.00 H new ATOM 970 N VAL A 61 -1.252 7.157 4.927 1.00 0.00 N ATOM 971 CA VAL A 61 -1.692 6.228 5.953 1.00 0.00 C ATOM 972 C VAL A 61 -1.476 4.810 5.448 1.00 0.00 C ATOM 973 O VAL A 61 -2.158 4.363 4.525 1.00 0.00 O ATOM 974 CB VAL A 61 -3.177 6.428 6.324 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.598 5.461 7.421 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.439 7.863 6.751 1.00 0.00 C ATOM 0 H VAL A 61 -1.948 7.354 4.208 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.108 6.412 6.855 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.775 6.219 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.648 5.622 7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.458 4.436 7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.989 5.631 8.309 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.492 7.980 7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.825 8.102 7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.188 8.538 5.933 1.00 0.00 H new ATOM 986 N ASN A 62 -0.518 4.121 6.045 1.00 0.00 N ATOM 987 CA ASN A 62 -0.116 2.803 5.577 1.00 0.00 C ATOM 988 C ASN A 62 -1.043 1.729 6.121 1.00 0.00 C ATOM 989 O ASN A 62 -0.967 1.361 7.293 1.00 0.00 O ATOM 990 CB ASN A 62 1.327 2.509 5.993 1.00 0.00 C ATOM 991 CG ASN A 62 2.324 3.460 5.358 1.00 0.00 C ATOM 992 OD1 ASN A 62 2.867 3.188 4.288 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.569 4.585 6.010 1.00 0.00 N ATOM 0 H ASN A 62 -0.001 4.454 6.859 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.181 2.795 4.489 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.409 2.575 7.078 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.580 1.486 5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.228 5.263 5.628 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.099 4.774 6.895 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.924 1.241 5.264 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.886 0.226 5.653 1.00 0.00 C ATOM 1002 C LEU A 63 -2.423 -1.151 5.197 1.00 0.00 C ATOM 1003 O LEU A 63 -2.116 -1.358 4.021 1.00 0.00 O ATOM 1004 CB LEU A 63 -4.261 0.540 5.057 1.00 0.00 C ATOM 1005 CG LEU A 63 -5.376 -0.422 5.467 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.588 -0.381 6.972 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.669 -0.089 4.736 1.00 0.00 C ATOM 0 H LEU A 63 -1.992 1.534 4.289 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.964 0.226 6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.546 1.550 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.179 0.536 3.970 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.076 -1.432 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.385 -1.072 7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.667 -0.671 7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.864 0.630 7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.450 -0.785 5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.974 0.928 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.511 -0.171 3.661 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.373 -2.085 6.133 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.956 -3.446 5.840 1.00 0.00 C ATOM 1021 C LYS A 64 -3.170 -4.351 5.676 1.00 0.00 C ATOM 1022 O LYS A 64 -4.001 -4.457 6.579 1.00 0.00 O ATOM 1023 CB LYS A 64 -1.057 -3.968 6.965 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.570 -5.393 6.764 1.00 0.00 C ATOM 1025 CD LYS A 64 0.402 -5.797 7.860 1.00 0.00 C ATOM 1026 CE LYS A 64 0.864 -7.237 7.710 1.00 0.00 C ATOM 1027 NZ LYS A 64 -0.242 -8.211 7.920 1.00 0.00 N ATOM 0 H LYS A 64 -2.618 -1.923 7.110 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.395 -3.448 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.193 -3.311 7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.603 -3.912 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.421 -6.074 6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.085 -5.481 5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.267 -5.135 7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.074 -5.669 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.286 -7.379 6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.661 -7.437 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.148 -9.107 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.916 -7.827 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.732 -8.380 7.018 1.00 0.00 H new ATOM 1041 N MET A 65 -3.275 -4.987 4.518 1.00 0.00 N ATOM 1042 CA MET A 65 -4.371 -5.906 4.242 1.00 0.00 C ATOM 1043 C MET A 65 -3.853 -7.211 3.659 1.00 0.00 C ATOM 1044 O MET A 65 -3.150 -7.216 2.649 1.00 0.00 O ATOM 1045 CB MET A 65 -5.379 -5.276 3.277 1.00 0.00 C ATOM 1046 CG MET A 65 -6.399 -4.377 3.954 1.00 0.00 C ATOM 1047 SD MET A 65 -7.522 -5.299 5.022 1.00 0.00 S ATOM 1048 CE MET A 65 -8.628 -3.995 5.550 1.00 0.00 C ATOM 0 H MET A 65 -2.611 -4.883 3.751 1.00 0.00 H new ATOM 0 HA MET A 65 -4.870 -6.117 5.188 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.838 -4.696 2.529 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.904 -6.070 2.746 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.880 -3.621 4.543 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.975 -3.849 3.194 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.103 -4.279 6.489 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.063 -3.074 5.693 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.393 -3.837 4.790 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.187 -8.309 4.314 1.00 0.00 N ATOM 1059 CA ASP A 66 -3.838 -9.627 3.822 1.00 0.00 C ATOM 1060 C ASP A 66 -4.976 -10.170 2.971 1.00 0.00 C ATOM 1061 O ASP A 66 -6.142 -9.870 3.225 1.00 0.00 O ATOM 1062 CB ASP A 66 -3.562 -10.577 4.988 1.00 0.00 C ATOM 1063 CG ASP A 66 -2.300 -10.237 5.754 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -2.330 -9.301 6.583 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -1.278 -10.926 5.561 1.00 0.00 O ATOM 0 H ASP A 66 -4.703 -8.312 5.194 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.935 -9.550 3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.410 -10.557 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.484 -11.595 4.607 1.00 0.00 H new ATOM 1070 N MET A 67 -4.641 -10.986 1.982 1.00 0.00 N ATOM 1071 CA MET A 67 -5.633 -11.498 1.038 1.00 0.00 C ATOM 1072 C MET A 67 -6.610 -12.447 1.725 1.00 0.00 C ATOM 1073 O MET A 67 -7.714 -12.685 1.236 1.00 0.00 O ATOM 1074 CB MET A 67 -4.945 -12.225 -0.121 1.00 0.00 C ATOM 1075 CG MET A 67 -4.050 -11.335 -0.970 1.00 0.00 C ATOM 1076 SD MET A 67 -4.966 -10.055 -1.849 1.00 0.00 S ATOM 1077 CE MET A 67 -3.654 -9.309 -2.816 1.00 0.00 C ATOM 0 H MET A 67 -3.689 -11.310 1.809 1.00 0.00 H new ATOM 0 HA MET A 67 -6.190 -10.645 0.650 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.348 -13.044 0.281 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.708 -12.670 -0.760 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.302 -10.866 -0.331 1.00 0.00 H new ATOM 0 HG3 MET A 67 -3.513 -11.951 -1.691 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.051 -8.463 -3.376 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.862 -8.964 -2.151 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.250 -10.046 -3.510 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.198 -12.978 2.865 1.00 0.00 N ATOM 1088 CA GLU A 68 -6.999 -13.949 3.594 1.00 0.00 C ATOM 1089 C GLU A 68 -7.432 -13.412 4.955 1.00 0.00 C ATOM 1090 O GLU A 68 -7.887 -14.170 5.812 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.203 -15.238 3.784 1.00 0.00 C ATOM 1092 CG GLU A 68 -4.814 -15.003 4.351 1.00 0.00 C ATOM 1093 CD GLU A 68 -4.154 -16.278 4.821 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -3.994 -17.211 4.006 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -3.809 -16.360 6.015 1.00 0.00 O ATOM 0 H GLU A 68 -5.308 -12.751 3.308 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.896 -14.148 3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.753 -15.903 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.116 -15.749 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.190 -14.534 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.880 -14.304 5.185 1.00 0.00 H new ATOM 1102 N LYS A 69 -7.303 -12.109 5.153 1.00 0.00 N ATOM 1103 CA LYS A 69 -7.603 -11.514 6.439 1.00 0.00 C ATOM 1104 C LYS A 69 -8.546 -10.328 6.275 1.00 0.00 C ATOM 1105 O LYS A 69 -8.312 -9.446 5.448 1.00 0.00 O ATOM 1106 CB LYS A 69 -6.303 -11.085 7.114 1.00 0.00 C ATOM 1107 CG LYS A 69 -6.464 -10.671 8.563 1.00 0.00 C ATOM 1108 CD LYS A 69 -5.110 -10.510 9.229 1.00 0.00 C ATOM 1109 CE LYS A 69 -5.236 -10.199 10.710 1.00 0.00 C ATOM 1110 NZ LYS A 69 -3.912 -10.226 11.390 1.00 0.00 N ATOM 0 H LYS A 69 -6.993 -11.448 4.440 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.103 -12.251 7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.590 -11.907 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.874 -10.253 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.016 -9.733 8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.051 -11.419 9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.531 -11.424 9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.557 -9.710 8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.692 -9.217 10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.902 -10.924 11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.036 -10.009 12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.489 -11.170 11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.285 -9.517 10.958 1.00 0.00 H new ATOM 1124 N GLY A 70 -9.623 -10.336 7.050 1.00 0.00 N ATOM 1125 CA GLY A 70 -10.577 -9.246 7.026 1.00 0.00 C ATOM 1126 C GLY A 70 -11.274 -9.120 5.689 1.00 0.00 C ATOM 1127 O GLY A 70 -11.752 -10.109 5.128 1.00 0.00 O ATOM 0 H GLY A 70 -9.854 -11.087 7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.321 -9.400 7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.064 -8.312 7.255 1.00 0.00 H new ATOM 1131 N GLU A 71 -11.312 -7.908 5.168 1.00 0.00 N ATOM 1132 CA GLU A 71 -11.952 -7.643 3.886 1.00 0.00 C ATOM 1133 C GLU A 71 -10.957 -7.776 2.738 1.00 0.00 C ATOM 1134 O GLU A 71 -11.279 -7.445 1.595 1.00 0.00 O ATOM 1135 CB GLU A 71 -12.581 -6.244 3.874 1.00 0.00 C ATOM 1136 CG GLU A 71 -13.960 -6.173 4.522 1.00 0.00 C ATOM 1137 CD GLU A 71 -13.963 -6.594 5.976 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -13.606 -5.768 6.841 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -14.340 -7.747 6.267 1.00 0.00 O ATOM 0 H GLU A 71 -10.906 -7.085 5.613 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.739 -8.385 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.914 -5.553 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.659 -5.902 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.337 -5.153 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.648 -6.810 3.966 1.00 0.00 H new ATOM 1146 N GLY A 72 -9.760 -8.275 3.042 1.00 0.00 N ATOM 1147 CA GLY A 72 -8.731 -8.449 2.028 1.00 0.00 C ATOM 1148 C GLY A 72 -9.200 -9.286 0.854 1.00 0.00 C ATOM 1149 O GLY A 72 -8.910 -8.971 -0.301 1.00 0.00 O ATOM 0 H GLY A 72 -9.483 -8.564 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.413 -7.471 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.858 -8.921 2.479 1.00 0.00 H new ATOM 1153 N VAL A 73 -9.946 -10.342 1.151 1.00 0.00 N ATOM 1154 CA VAL A 73 -10.467 -11.224 0.114 1.00 0.00 C ATOM 1155 C VAL A 73 -11.492 -10.496 -0.762 1.00 0.00 C ATOM 1156 O VAL A 73 -11.536 -10.694 -1.981 1.00 0.00 O ATOM 1157 CB VAL A 73 -11.086 -12.512 0.715 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -12.213 -12.186 1.683 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -11.575 -13.445 -0.386 1.00 0.00 C ATOM 0 H VAL A 73 -10.204 -10.609 2.101 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.624 -11.520 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.303 -13.023 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.625 -13.111 2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.827 -11.575 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -12.996 -11.638 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.005 -14.341 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.333 -12.938 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.737 -13.724 -1.025 1.00 0.00 H new ATOM 1169 N GLU A 74 -12.294 -9.626 -0.151 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.281 -8.866 -0.900 1.00 0.00 C ATOM 1171 C GLU A 74 -12.584 -7.817 -1.758 1.00 0.00 C ATOM 1172 O GLU A 74 -12.985 -7.574 -2.889 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.306 -8.199 0.026 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.412 -7.484 -0.735 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.448 -6.848 0.165 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -17.359 -7.568 0.628 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.378 -5.621 0.391 1.00 0.00 O ATOM 0 H GLU A 74 -12.277 -9.434 0.851 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.822 -9.560 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.748 -8.955 0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.795 -7.484 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.969 -6.714 -1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.905 -8.195 -1.398 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.526 -7.221 -1.220 1.00 0.00 N ATOM 1185 CA LEU A 75 -10.739 -6.242 -1.963 1.00 0.00 C ATOM 1186 C LEU A 75 -10.122 -6.889 -3.198 1.00 0.00 C ATOM 1187 O LEU A 75 -10.084 -6.289 -4.275 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.639 -5.646 -1.077 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.127 -4.896 0.164 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -8.946 -4.385 0.976 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -11.039 -3.743 -0.229 1.00 0.00 C ATOM 0 H LEU A 75 -11.193 -7.398 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.403 -5.437 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.978 -6.452 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.040 -4.964 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.698 -5.590 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.311 -3.854 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.329 -5.227 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.350 -3.707 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.375 -3.223 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.493 -3.049 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.903 -4.130 -0.769 1.00 0.00 H new ATOM 1203 N ARG A 76 -9.664 -8.126 -3.035 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.075 -8.884 -4.132 1.00 0.00 C ATOM 1205 C ARG A 76 -10.068 -9.017 -5.286 1.00 0.00 C ATOM 1206 O ARG A 76 -9.717 -8.813 -6.451 1.00 0.00 O ATOM 1207 CB ARG A 76 -8.649 -10.273 -3.639 1.00 0.00 C ATOM 1208 CG ARG A 76 -7.809 -11.049 -4.641 1.00 0.00 C ATOM 1209 CD ARG A 76 -7.482 -12.446 -4.136 1.00 0.00 C ATOM 1210 NE ARG A 76 -8.664 -13.309 -4.094 1.00 0.00 N ATOM 1211 CZ ARG A 76 -8.701 -14.494 -3.484 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -7.625 -14.963 -2.866 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -9.815 -15.219 -3.502 1.00 0.00 N ATOM 0 H ARG A 76 -9.690 -8.627 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.196 -8.349 -4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.084 -10.162 -2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.541 -10.853 -3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.345 -11.120 -5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.884 -10.507 -4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.728 -12.897 -4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.048 -12.378 -3.138 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.511 -12.984 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.764 -14.416 -2.856 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.659 -15.870 -2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.644 -14.869 -3.983 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.841 -16.125 -3.035 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.312 -9.342 -4.948 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.369 -9.512 -5.942 1.00 0.00 C ATOM 1229 C LYS A 77 -12.871 -8.156 -6.444 1.00 0.00 C ATOM 1230 O LYS A 77 -13.313 -8.023 -7.587 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.519 -10.321 -5.326 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.689 -10.571 -6.265 1.00 0.00 C ATOM 1233 CD LYS A 77 -15.753 -11.431 -5.602 1.00 0.00 C ATOM 1234 CE LYS A 77 -16.946 -11.658 -6.519 1.00 0.00 C ATOM 1235 NZ LYS A 77 -17.641 -10.387 -6.856 1.00 0.00 N ATOM 0 H LYS A 77 -11.615 -9.494 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.967 -10.052 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.130 -11.281 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.884 -9.796 -4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.125 -9.619 -6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.333 -11.062 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.321 -12.392 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.087 -10.951 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.611 -12.142 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.648 -12.339 -6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.554 -10.599 -7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.804 -9.839 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.052 -9.832 -7.510 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.788 -7.158 -5.579 1.00 0.00 N ATOM 1250 CA LYS A 78 -13.277 -5.820 -5.872 1.00 0.00 C ATOM 1251 C LYS A 78 -12.425 -5.147 -6.944 1.00 0.00 C ATOM 1252 O LYS A 78 -12.943 -4.625 -7.930 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.256 -4.973 -4.594 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.792 -3.559 -4.762 1.00 0.00 C ATOM 1255 CD LYS A 78 -15.310 -3.524 -4.750 1.00 0.00 C ATOM 1256 CE LYS A 78 -15.829 -2.097 -4.817 1.00 0.00 C ATOM 1257 NZ LYS A 78 -17.309 -2.027 -4.673 1.00 0.00 N ATOM 0 H LYS A 78 -12.378 -7.253 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.298 -5.903 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.842 -5.481 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.231 -4.918 -4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.408 -2.928 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.427 -3.141 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.696 -4.094 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.680 -4.006 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.361 -1.505 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.537 -1.651 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.616 -1.035 -4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.758 -2.569 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.588 -2.428 -3.755 1.00 0.00 H new ATOM 1271 N TYR A 79 -11.114 -5.179 -6.751 1.00 0.00 N ATOM 1272 CA TYR A 79 -10.194 -4.466 -7.627 1.00 0.00 C ATOM 1273 C TYR A 79 -9.621 -5.389 -8.699 1.00 0.00 C ATOM 1274 O TYR A 79 -8.879 -4.946 -9.578 1.00 0.00 O ATOM 1275 CB TYR A 79 -9.074 -3.833 -6.797 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.579 -2.837 -5.772 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -10.001 -3.253 -4.514 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -9.637 -1.482 -6.063 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.463 -2.348 -3.580 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -10.099 -0.570 -5.132 1.00 0.00 C ATOM 1281 CZ TYR A 79 -10.511 -1.009 -3.892 1.00 0.00 C ATOM 1282 OH TYR A 79 -10.971 -0.108 -2.960 1.00 0.00 O ATOM 0 H TYR A 79 -10.662 -5.692 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.745 -3.677 -8.138 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.520 -4.620 -6.286 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.374 -3.333 -7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.967 -4.303 -4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.316 -1.133 -7.033 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.786 -2.690 -2.608 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.137 0.482 -5.375 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.940 0.796 -3.336 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.970 -6.671 -8.612 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.554 -7.637 -9.616 1.00 0.00 C ATOM 1294 C GLY A 80 -8.049 -7.753 -9.723 1.00 0.00 C ATOM 1295 O GLY A 80 -7.500 -7.840 -10.821 1.00 0.00 O ATOM 0 H GLY A 80 -10.537 -7.060 -7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.974 -8.613 -9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.962 -7.348 -10.584 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.381 -7.748 -8.583 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.931 -7.807 -8.545 1.00 0.00 C ATOM 1301 C VAL A 81 -5.439 -9.237 -8.776 1.00 0.00 C ATOM 1302 O VAL A 81 -6.038 -10.199 -8.285 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.397 -7.264 -7.205 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -5.747 -5.788 -7.053 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -5.943 -8.066 -6.030 1.00 0.00 C ATOM 0 H VAL A 81 -7.824 -7.703 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.547 -7.178 -9.348 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.312 -7.368 -7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.363 -5.419 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.299 -5.222 -7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.830 -5.666 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.549 -7.660 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.031 -8.004 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.640 -9.108 -6.129 1.00 0.00 H new ATOM 1315 N HIS A 82 -4.369 -9.379 -9.552 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.859 -10.705 -9.907 1.00 0.00 C ATOM 1317 C HIS A 82 -2.368 -10.836 -9.603 1.00 0.00 C ATOM 1318 O HIS A 82 -1.737 -11.821 -9.985 1.00 0.00 O ATOM 1319 CB HIS A 82 -4.090 -10.990 -11.396 1.00 0.00 C ATOM 1320 CG HIS A 82 -5.518 -10.894 -11.831 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -5.938 -10.053 -12.835 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -6.624 -11.545 -11.402 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -7.240 -10.187 -13.002 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -7.682 -11.089 -12.146 1.00 0.00 N ATOM 0 H HIS A 82 -3.840 -8.601 -9.946 1.00 0.00 H new ATOM 0 HA HIS A 82 -4.404 -11.429 -9.302 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.496 -10.290 -11.983 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.720 -11.990 -11.623 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.666 -12.287 -10.618 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.843 -9.649 -13.719 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.650 -11.396 -12.053 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.810 -9.852 -8.917 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.383 -9.849 -8.624 1.00 0.00 C ATOM 1335 C ALA A 83 -0.127 -10.291 -7.188 1.00 0.00 C ATOM 1336 O ALA A 83 -1.069 -10.563 -6.440 1.00 0.00 O ATOM 1337 CB ALA A 83 0.204 -8.468 -8.867 1.00 0.00 C ATOM 0 H ALA A 83 -2.320 -9.047 -8.553 1.00 0.00 H new ATOM 0 HA ALA A 83 0.106 -10.558 -9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.271 -8.482 -8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.055 -8.188 -9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.292 -7.743 -8.222 1.00 0.00 H new ATOM 1343 N TYR A 84 1.140 -10.336 -6.796 1.00 0.00 N ATOM 1344 CA TYR A 84 1.502 -10.745 -5.442 1.00 0.00 C ATOM 1345 C TYR A 84 1.571 -9.539 -4.503 1.00 0.00 C ATOM 1346 O TYR A 84 0.977 -9.576 -3.419 1.00 0.00 O ATOM 1347 CB TYR A 84 2.834 -11.497 -5.422 1.00 0.00 C ATOM 1348 CG TYR A 84 2.836 -12.757 -6.263 1.00 0.00 C ATOM 1349 CD1 TYR A 84 2.063 -13.854 -5.908 1.00 0.00 C ATOM 1350 CD2 TYR A 84 3.607 -12.844 -7.415 1.00 0.00 C ATOM 1351 CE1 TYR A 84 2.057 -15.003 -6.677 1.00 0.00 C ATOM 1352 CE2 TYR A 84 3.608 -13.990 -8.189 1.00 0.00 C ATOM 1353 CZ TYR A 84 2.829 -15.066 -7.816 1.00 0.00 C ATOM 1354 OH TYR A 84 2.816 -16.208 -8.587 1.00 0.00 O ATOM 0 H TYR A 84 1.932 -10.096 -7.392 1.00 0.00 H new ATOM 0 HA TYR A 84 0.721 -11.419 -5.091 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.621 -10.832 -5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.078 -11.758 -4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.456 -13.809 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.216 -12.003 -7.711 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.450 -15.847 -6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.215 -14.042 -9.081 1.00 0.00 H new ATOM 0 HH TYR A 84 3.413 -16.091 -9.355 1.00 0.00 H new ATOM 1364 N PRO A 85 2.316 -8.469 -4.871 1.00 0.00 N ATOM 1365 CA PRO A 85 2.286 -7.211 -4.149 1.00 0.00 C ATOM 1366 C PRO A 85 1.264 -6.251 -4.763 1.00 0.00 C ATOM 1367 O PRO A 85 1.164 -6.142 -5.987 1.00 0.00 O ATOM 1368 CB PRO A 85 3.712 -6.668 -4.321 1.00 0.00 C ATOM 1369 CG PRO A 85 4.342 -7.474 -5.423 1.00 0.00 C ATOM 1370 CD PRO A 85 3.279 -8.393 -5.972 1.00 0.00 C ATOM 0 HA PRO A 85 1.995 -7.328 -3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.696 -5.608 -4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.279 -6.765 -3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.726 -6.820 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.188 -8.048 -5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.826 -7.992 -6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.683 -9.373 -6.225 1.00 0.00 H new ATOM 1378 N THR A 86 0.500 -5.562 -3.929 1.00 0.00 N ATOM 1379 CA THR A 86 -0.554 -4.691 -4.429 1.00 0.00 C ATOM 1380 C THR A 86 -0.530 -3.334 -3.738 1.00 0.00 C ATOM 1381 O THR A 86 -0.789 -3.236 -2.539 1.00 0.00 O ATOM 1382 CB THR A 86 -1.936 -5.333 -4.214 1.00 0.00 C ATOM 1383 OG1 THR A 86 -1.855 -6.747 -4.446 1.00 0.00 O ATOM 1384 CG2 THR A 86 -2.969 -4.720 -5.144 1.00 0.00 C ATOM 0 H THR A 86 0.588 -5.588 -2.913 1.00 0.00 H new ATOM 0 HA THR A 86 -0.374 -4.549 -5.495 1.00 0.00 H new ATOM 0 HB THR A 86 -2.245 -5.148 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.460 -7.185 -3.663 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.937 -5.190 -4.973 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.046 -3.650 -4.948 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.666 -4.879 -6.179 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.236 -2.289 -4.501 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.200 -0.934 -3.968 1.00 0.00 C ATOM 1394 C LEU A 87 -1.451 -0.179 -4.399 1.00 0.00 C ATOM 1395 O LEU A 87 -1.639 0.118 -5.579 1.00 0.00 O ATOM 1396 CB LEU A 87 1.057 -0.185 -4.435 1.00 0.00 C ATOM 1397 CG LEU A 87 2.389 -0.685 -3.855 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.800 -2.012 -4.475 1.00 0.00 C ATOM 1399 CD2 LEU A 87 3.479 0.353 -4.060 1.00 0.00 C ATOM 0 H LEU A 87 -0.018 -2.355 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.169 -0.994 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.110 -0.246 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.944 0.869 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 87 2.249 -0.844 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.746 -2.338 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.033 -2.760 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.916 -1.890 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.416 -0.016 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.605 0.542 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.199 1.279 -3.558 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.310 0.123 -3.444 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.594 0.724 -3.751 1.00 0.00 C ATOM 1413 C LEU A 88 -3.706 2.117 -3.142 1.00 0.00 C ATOM 1414 O LEU A 88 -3.343 2.333 -1.984 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.720 -0.167 -3.232 1.00 0.00 C ATOM 1416 CG LEU A 88 -6.096 0.113 -3.825 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.105 -0.190 -5.316 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -7.149 -0.709 -3.108 1.00 0.00 C ATOM 0 H LEU A 88 -2.142 -0.038 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.678 0.820 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.461 -1.207 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.779 -0.056 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.327 1.170 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.095 0.015 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.369 0.437 -5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.858 -1.240 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.128 -0.502 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.921 -1.769 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.156 -0.448 -2.050 1.00 0.00 H new ATOM 1430 N PHE A 89 -4.209 3.055 -3.930 1.00 0.00 N ATOM 1431 CA PHE A 89 -4.377 4.426 -3.474 1.00 0.00 C ATOM 1432 C PHE A 89 -5.853 4.745 -3.286 1.00 0.00 C ATOM 1433 O PHE A 89 -6.603 4.855 -4.259 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.761 5.402 -4.478 1.00 0.00 C ATOM 1435 CG PHE A 89 -2.330 5.095 -4.817 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -1.306 5.480 -3.969 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -2.014 4.417 -5.984 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.010 5.193 -4.278 1.00 0.00 C ATOM 1439 CE2 PHE A 89 -0.702 4.127 -6.298 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.311 4.515 -5.443 1.00 0.00 C ATOM 0 H PHE A 89 -4.509 2.891 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.866 4.533 -2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.353 5.390 -5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.821 6.412 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.538 6.010 -3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.804 4.112 -6.655 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.802 5.498 -3.610 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.468 3.598 -7.210 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.339 4.288 -5.686 1.00 0.00 H new ATOM 1450 N ILE A 90 -6.269 4.887 -2.037 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.657 5.187 -1.729 1.00 0.00 C ATOM 1452 C ILE A 90 -7.799 6.651 -1.319 1.00 0.00 C ATOM 1453 O ILE A 90 -7.040 7.148 -0.483 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.207 4.268 -0.611 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -8.126 2.798 -1.041 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.639 4.640 -0.254 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -8.909 2.482 -2.299 1.00 0.00 C ATOM 0 H ILE A 90 -5.664 4.799 -1.220 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.243 5.003 -2.629 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.591 4.407 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.081 2.533 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.494 2.171 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.001 3.979 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.671 5.672 0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.272 4.536 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.802 1.424 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.962 2.714 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.527 3.081 -3.126 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.756 7.338 -1.927 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.975 8.756 -1.651 1.00 0.00 C ATOM 1471 C ASN A 91 -10.142 8.951 -0.694 1.00 0.00 C ATOM 1472 O ASN A 91 -10.770 7.983 -0.264 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.232 9.529 -2.948 1.00 0.00 C ATOM 1474 CG ASN A 91 -10.417 9.003 -3.728 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -11.546 9.404 -3.494 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -10.164 8.101 -4.664 1.00 0.00 N ATOM 0 H ASN A 91 -9.395 6.939 -2.615 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.071 9.145 -1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.398 10.580 -2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.342 9.481 -3.575 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.927 7.715 -5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.206 7.792 -4.829 1.00 0.00 H new ATOM 1483 N SER A 92 -10.453 10.210 -0.397 1.00 0.00 N ATOM 1484 CA SER A 92 -11.478 10.546 0.585 1.00 0.00 C ATOM 1485 C SER A 92 -12.871 10.098 0.139 1.00 0.00 C ATOM 1486 O SER A 92 -13.774 9.957 0.964 1.00 0.00 O ATOM 1487 CB SER A 92 -11.473 12.053 0.843 1.00 0.00 C ATOM 1488 OG SER A 92 -10.190 12.492 1.259 1.00 0.00 O ATOM 0 H SER A 92 -10.005 11.020 -0.827 1.00 0.00 H new ATOM 0 HA SER A 92 -11.241 10.011 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.766 12.582 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.211 12.297 1.607 1.00 0.00 H new ATOM 0 HG SER A 92 -10.210 13.459 1.416 1.00 0.00 H new ATOM 1494 N SER A 93 -13.047 9.862 -1.157 1.00 0.00 N ATOM 1495 CA SER A 93 -14.339 9.432 -1.675 1.00 0.00 C ATOM 1496 C SER A 93 -14.570 7.942 -1.406 1.00 0.00 C ATOM 1497 O SER A 93 -15.604 7.383 -1.778 1.00 0.00 O ATOM 1498 CB SER A 93 -14.447 9.725 -3.174 1.00 0.00 C ATOM 1499 OG SER A 93 -14.215 11.101 -3.441 1.00 0.00 O ATOM 0 H SER A 93 -12.317 9.960 -1.862 1.00 0.00 H new ATOM 0 HA SER A 93 -15.112 9.997 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.725 9.118 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.437 9.443 -3.533 1.00 0.00 H new ATOM 0 HG SER A 93 -14.287 11.264 -4.405 1.00 0.00 H new ATOM 1505 N GLY A 94 -13.597 7.303 -0.757 1.00 0.00 N ATOM 1506 CA GLY A 94 -13.729 5.903 -0.401 1.00 0.00 C ATOM 1507 C GLY A 94 -13.591 4.991 -1.600 1.00 0.00 C ATOM 1508 O GLY A 94 -14.197 3.918 -1.652 1.00 0.00 O ATOM 0 H GLY A 94 -12.718 7.734 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.971 5.645 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.699 5.739 0.068 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.798 5.420 -2.568 1.00 0.00 N ATOM 1513 CA GLU A 95 -12.601 4.655 -3.789 1.00 0.00 C ATOM 1514 C GLU A 95 -11.163 4.772 -4.270 1.00 0.00 C ATOM 1515 O GLU A 95 -10.344 5.444 -3.639 1.00 0.00 O ATOM 1516 CB GLU A 95 -13.562 5.136 -4.875 1.00 0.00 C ATOM 1517 CG GLU A 95 -13.439 6.617 -5.191 1.00 0.00 C ATOM 1518 CD GLU A 95 -14.357 7.046 -6.314 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -13.935 6.978 -7.488 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -15.507 7.445 -6.029 1.00 0.00 O ATOM 0 H GLU A 95 -12.278 6.297 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.808 3.606 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.383 4.564 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -14.584 4.925 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.668 7.197 -4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.408 6.843 -5.462 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.861 4.128 -5.387 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.521 4.161 -5.946 1.00 0.00 C ATOM 1529 C VAL A 96 -9.501 5.000 -7.222 1.00 0.00 C ATOM 1530 O VAL A 96 -10.521 5.131 -7.906 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.004 2.732 -6.247 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -9.794 2.092 -7.382 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -7.516 2.746 -6.561 1.00 0.00 C ATOM 0 H VAL A 96 -11.529 3.575 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.861 4.615 -5.207 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.153 2.127 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.410 1.090 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.846 2.031 -7.104 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.692 2.697 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.178 1.731 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.334 3.374 -7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.968 3.143 -5.707 1.00 0.00 H new ATOM 1543 N VAL A 97 -8.355 5.596 -7.518 1.00 0.00 N ATOM 1544 CA VAL A 97 -8.177 6.323 -8.765 1.00 0.00 C ATOM 1545 C VAL A 97 -7.274 5.523 -9.698 1.00 0.00 C ATOM 1546 O VAL A 97 -7.599 5.313 -10.868 1.00 0.00 O ATOM 1547 CB VAL A 97 -7.571 7.727 -8.539 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -7.484 8.493 -9.852 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -8.386 8.507 -7.515 1.00 0.00 C ATOM 0 H VAL A 97 -7.535 5.590 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 97 -9.162 6.456 -9.213 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.561 7.603 -8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.055 9.478 -9.671 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.853 7.945 -10.552 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.482 8.604 -10.275 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.942 9.492 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -9.409 8.619 -7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.390 7.969 -6.567 1.00 0.00 H new ATOM 1559 N TYR A 98 -6.152 5.058 -9.161 1.00 0.00 N ATOM 1560 CA TYR A 98 -5.216 4.255 -9.930 1.00 0.00 C ATOM 1561 C TYR A 98 -4.913 2.946 -9.204 1.00 0.00 C ATOM 1562 O TYR A 98 -4.527 2.947 -8.034 1.00 0.00 O ATOM 1563 CB TYR A 98 -3.916 5.029 -10.168 1.00 0.00 C ATOM 1564 CG TYR A 98 -2.976 4.349 -11.138 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -3.128 4.521 -12.505 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -1.945 3.531 -10.689 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -2.284 3.898 -13.399 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -1.096 2.903 -11.580 1.00 0.00 C ATOM 1569 CZ TYR A 98 -1.271 3.090 -12.934 1.00 0.00 C ATOM 1570 OH TYR A 98 -0.428 2.468 -13.832 1.00 0.00 O ATOM 0 H TYR A 98 -5.870 5.225 -8.195 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.673 4.027 -10.893 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.158 6.022 -10.546 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.405 5.166 -9.215 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.921 5.154 -12.876 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.806 3.384 -9.628 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.417 4.043 -14.461 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.300 2.269 -11.217 1.00 0.00 H new ATOM 0 HH TYR A 98 0.234 1.935 -13.344 1.00 0.00 H new ATOM 1580 N ARG A 99 -5.113 1.837 -9.901 1.00 0.00 N ATOM 1581 CA ARG A 99 -4.772 0.524 -9.371 1.00 0.00 C ATOM 1582 C ARG A 99 -3.354 0.158 -9.774 1.00 0.00 C ATOM 1583 O ARG A 99 -3.010 0.196 -10.956 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.737 -0.543 -9.890 1.00 0.00 C ATOM 1585 CG ARG A 99 -7.169 -0.373 -9.419 1.00 0.00 C ATOM 1586 CD ARG A 99 -8.074 -1.404 -10.078 1.00 0.00 C ATOM 1587 NE ARG A 99 -9.471 -1.292 -9.656 1.00 0.00 N ATOM 1588 CZ ARG A 99 -10.483 -1.861 -10.314 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -10.253 -2.529 -11.434 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -11.724 -1.755 -9.856 1.00 0.00 N ATOM 0 H ARG A 99 -5.512 1.820 -10.840 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.849 0.566 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.722 -0.531 -10.980 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.378 -1.524 -9.577 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.216 -0.479 -8.335 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.519 0.631 -9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.017 -1.290 -11.161 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.708 -2.404 -9.843 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.682 -0.752 -8.817 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.302 -2.609 -11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.027 -2.964 -11.937 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.908 -1.237 -8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.494 -2.192 -10.363 1.00 0.00 H new ATOM 1604 N LEU A 100 -2.536 -0.198 -8.801 1.00 0.00 N ATOM 1605 CA LEU A 100 -1.145 -0.527 -9.071 1.00 0.00 C ATOM 1606 C LEU A 100 -0.806 -1.900 -8.500 1.00 0.00 C ATOM 1607 O LEU A 100 -0.790 -2.099 -7.286 1.00 0.00 O ATOM 1608 CB LEU A 100 -0.218 0.554 -8.484 1.00 0.00 C ATOM 1609 CG LEU A 100 1.210 0.601 -9.052 1.00 0.00 C ATOM 1610 CD1 LEU A 100 1.853 1.945 -8.746 1.00 0.00 C ATOM 1611 CD2 LEU A 100 2.069 -0.523 -8.486 1.00 0.00 C ATOM 0 H LEU A 100 -2.807 -0.267 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.994 -0.559 -10.150 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.683 1.527 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.154 0.403 -7.406 1.00 0.00 H new ATOM 0 HG LEU A 100 1.144 0.469 -10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.864 1.966 -9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.263 2.742 -9.198 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.894 2.092 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.072 -0.462 -8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.124 -0.428 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.626 -1.485 -8.744 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.553 -2.851 -9.383 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.146 -4.182 -8.964 1.00 0.00 C ATOM 1625 C VAL A 101 1.318 -4.418 -9.314 1.00 0.00 C ATOM 1626 O VAL A 101 1.790 -3.985 -10.372 1.00 0.00 O ATOM 1627 CB VAL A 101 -1.023 -5.285 -9.599 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -2.452 -5.186 -9.091 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -0.993 -5.207 -11.118 1.00 0.00 C ATOM 0 H VAL A 101 -0.622 -2.727 -10.393 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.278 -4.237 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.612 -6.251 -9.304 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.056 -5.970 -9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.462 -5.305 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.864 -4.211 -9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.619 -5.996 -11.535 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.369 -4.236 -11.440 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.031 -5.333 -11.469 1.00 0.00 H new ATOM 1639 N GLY A 102 2.037 -5.074 -8.417 1.00 0.00 N ATOM 1640 CA GLY A 102 3.448 -5.325 -8.637 1.00 0.00 C ATOM 1641 C GLY A 102 4.320 -4.367 -7.853 1.00 0.00 C ATOM 1642 O GLY A 102 3.820 -3.403 -7.274 1.00 0.00 O ATOM 0 H GLY A 102 1.669 -5.438 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.684 -6.349 -8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.672 -5.233 -9.700 1.00 0.00 H new ATOM 1646 N ALA A 103 5.620 -4.620 -7.835 1.00 0.00 N ATOM 1647 CA ALA A 103 6.545 -3.784 -7.081 1.00 0.00 C ATOM 1648 C ALA A 103 7.884 -3.668 -7.795 1.00 0.00 C ATOM 1649 O ALA A 103 8.212 -4.488 -8.657 1.00 0.00 O ATOM 1650 CB ALA A 103 6.736 -4.337 -5.676 1.00 0.00 C ATOM 0 H ALA A 103 6.059 -5.395 -8.332 1.00 0.00 H new ATOM 0 HA ALA A 103 6.115 -2.785 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.430 -3.701 -5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.776 -4.358 -5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.139 -5.348 -5.735 1.00 0.00 H new ATOM 1656 N GLU A 104 8.647 -2.650 -7.421 1.00 0.00 N ATOM 1657 CA GLU A 104 9.916 -2.342 -8.068 1.00 0.00 C ATOM 1658 C GLU A 104 11.009 -2.179 -7.015 1.00 0.00 C ATOM 1659 O GLU A 104 10.780 -2.431 -5.830 1.00 0.00 O ATOM 1660 CB GLU A 104 9.807 -1.037 -8.862 1.00 0.00 C ATOM 1661 CG GLU A 104 8.514 -0.880 -9.645 1.00 0.00 C ATOM 1662 CD GLU A 104 8.332 -1.920 -10.731 1.00 0.00 C ATOM 1663 OE1 GLU A 104 9.339 -2.371 -11.313 1.00 0.00 O ATOM 1664 OE2 GLU A 104 7.172 -2.282 -11.020 1.00 0.00 O ATOM 0 H GLU A 104 8.404 -2.014 -6.661 1.00 0.00 H new ATOM 0 HA GLU A 104 10.164 -3.162 -8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.903 -0.198 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.646 -0.978 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.672 -0.936 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.490 0.112 -10.096 1.00 0.00 H new ATOM 1671 N ASP A 105 12.197 -1.774 -7.454 1.00 0.00 N ATOM 1672 CA ASP A 105 13.260 -1.387 -6.528 1.00 0.00 C ATOM 1673 C ASP A 105 12.817 -0.132 -5.772 1.00 0.00 C ATOM 1674 O ASP A 105 11.904 0.561 -6.218 1.00 0.00 O ATOM 1675 CB ASP A 105 14.563 -1.118 -7.287 1.00 0.00 C ATOM 1676 CG ASP A 105 15.799 -1.262 -6.413 1.00 0.00 C ATOM 1677 OD1 ASP A 105 16.022 -0.413 -5.526 1.00 0.00 O ATOM 1678 OD2 ASP A 105 16.562 -2.231 -6.617 1.00 0.00 O ATOM 0 H ASP A 105 12.449 -1.705 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 105 13.444 -2.198 -5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.637 -1.808 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.534 -0.111 -7.703 1.00 0.00 H new ATOM 1683 N ALA A 106 13.472 0.176 -4.657 1.00 0.00 N ATOM 1684 CA ALA A 106 13.022 1.247 -3.759 1.00 0.00 C ATOM 1685 C ALA A 106 12.800 2.592 -4.481 1.00 0.00 C ATOM 1686 O ALA A 106 11.695 3.138 -4.427 1.00 0.00 O ATOM 1687 CB ALA A 106 13.985 1.408 -2.587 1.00 0.00 C ATOM 0 H ALA A 106 14.320 -0.300 -4.348 1.00 0.00 H new ATOM 0 HA ALA A 106 12.048 0.943 -3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.633 2.207 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 106 14.034 0.475 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.977 1.658 -2.963 1.00 0.00 H new ATOM 1693 N PRO A 107 13.823 3.150 -5.174 1.00 0.00 N ATOM 1694 CA PRO A 107 13.681 4.436 -5.872 1.00 0.00 C ATOM 1695 C PRO A 107 12.643 4.390 -6.993 1.00 0.00 C ATOM 1696 O PRO A 107 11.878 5.338 -7.182 1.00 0.00 O ATOM 1697 CB PRO A 107 15.075 4.697 -6.450 1.00 0.00 C ATOM 1698 CG PRO A 107 15.736 3.363 -6.494 1.00 0.00 C ATOM 1699 CD PRO A 107 15.183 2.595 -5.331 1.00 0.00 C ATOM 0 HA PRO A 107 13.333 5.217 -5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.012 5.138 -7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.636 5.394 -5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.526 2.853 -7.434 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.819 3.460 -6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.160 1.524 -5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.783 2.739 -4.432 1.00 0.00 H new ATOM 1707 N GLU A 108 12.620 3.284 -7.721 1.00 0.00 N ATOM 1708 CA GLU A 108 11.718 3.113 -8.849 1.00 0.00 C ATOM 1709 C GLU A 108 10.272 2.964 -8.386 1.00 0.00 C ATOM 1710 O GLU A 108 9.353 3.484 -9.018 1.00 0.00 O ATOM 1711 CB GLU A 108 12.139 1.889 -9.655 1.00 0.00 C ATOM 1712 CG GLU A 108 13.534 2.004 -10.242 1.00 0.00 C ATOM 1713 CD GLU A 108 13.652 3.124 -11.256 1.00 0.00 C ATOM 1714 OE1 GLU A 108 13.205 2.935 -12.403 1.00 0.00 O ATOM 1715 OE2 GLU A 108 14.205 4.192 -10.918 1.00 0.00 O ATOM 0 H GLU A 108 13.225 2.481 -7.547 1.00 0.00 H new ATOM 0 HA GLU A 108 11.777 4.003 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.094 1.008 -9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.425 1.732 -10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 108 14.250 2.171 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.803 1.060 -10.716 1.00 0.00 H new ATOM 1722 N LEU A 109 10.079 2.254 -7.280 1.00 0.00 N ATOM 1723 CA LEU A 109 8.752 2.068 -6.709 1.00 0.00 C ATOM 1724 C LEU A 109 8.141 3.417 -6.381 1.00 0.00 C ATOM 1725 O LEU A 109 7.005 3.711 -6.754 1.00 0.00 O ATOM 1726 CB LEU A 109 8.832 1.218 -5.441 1.00 0.00 C ATOM 1727 CG LEU A 109 7.486 0.832 -4.819 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.647 0.030 -5.805 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.704 0.040 -3.538 1.00 0.00 C ATOM 0 H LEU A 109 10.828 1.797 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 109 8.126 1.554 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.381 0.305 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.414 1.761 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 109 6.945 1.746 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.696 -0.234 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.463 0.628 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.181 -0.879 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.739 -0.227 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.265 -0.867 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.264 0.647 -2.826 1.00 0.00 H new ATOM 1741 N LEU A 110 8.927 4.234 -5.693 1.00 0.00 N ATOM 1742 CA LEU A 110 8.504 5.577 -5.312 1.00 0.00 C ATOM 1743 C LEU A 110 8.152 6.409 -6.545 1.00 0.00 C ATOM 1744 O LEU A 110 7.231 7.221 -6.515 1.00 0.00 O ATOM 1745 CB LEU A 110 9.606 6.270 -4.506 1.00 0.00 C ATOM 1746 CG LEU A 110 9.223 7.630 -3.915 1.00 0.00 C ATOM 1747 CD1 LEU A 110 8.067 7.476 -2.937 1.00 0.00 C ATOM 1748 CD2 LEU A 110 10.425 8.263 -3.229 1.00 0.00 C ATOM 0 H LEU A 110 9.868 3.989 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 110 7.612 5.490 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.909 5.610 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.476 6.403 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 110 8.902 8.286 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.806 8.451 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.204 7.059 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.361 6.808 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.139 9.229 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 110 10.771 7.611 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.226 8.403 -3.955 1.00 0.00 H new ATOM 1760 N LYS A 111 8.884 6.193 -7.631 1.00 0.00 N ATOM 1761 CA LYS A 111 8.600 6.880 -8.883 1.00 0.00 C ATOM 1762 C LYS A 111 7.244 6.473 -9.443 1.00 0.00 C ATOM 1763 O LYS A 111 6.413 7.325 -9.742 1.00 0.00 O ATOM 1764 CB LYS A 111 9.672 6.584 -9.930 1.00 0.00 C ATOM 1765 CG LYS A 111 10.928 7.423 -9.799 1.00 0.00 C ATOM 1766 CD LYS A 111 11.779 7.285 -11.047 1.00 0.00 C ATOM 1767 CE LYS A 111 12.925 8.277 -11.071 1.00 0.00 C ATOM 1768 NZ LYS A 111 13.628 8.255 -12.377 1.00 0.00 N ATOM 0 H LYS A 111 9.675 5.550 -7.670 1.00 0.00 H new ATOM 0 HA LYS A 111 8.593 7.947 -8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.945 5.531 -9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.247 6.741 -10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 111 10.662 8.469 -9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 111 11.497 7.106 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.177 6.272 -11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.155 7.432 -11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.545 9.280 -10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.629 8.043 -10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.407 8.944 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.010 7.303 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.960 8.502 -13.135 1.00 0.00 H new ATOM 1782 N LYS A 112 7.020 5.172 -9.572 1.00 0.00 N ATOM 1783 CA LYS A 112 5.830 4.664 -10.245 1.00 0.00 C ATOM 1784 C LYS A 112 4.547 5.045 -9.514 1.00 0.00 C ATOM 1785 O LYS A 112 3.542 5.359 -10.155 1.00 0.00 O ATOM 1786 CB LYS A 112 5.910 3.146 -10.424 1.00 0.00 C ATOM 1787 CG LYS A 112 7.088 2.709 -11.280 1.00 0.00 C ATOM 1788 CD LYS A 112 7.034 1.229 -11.625 1.00 0.00 C ATOM 1789 CE LYS A 112 5.786 0.867 -12.412 1.00 0.00 C ATOM 1790 NZ LYS A 112 5.783 -0.566 -12.818 1.00 0.00 N ATOM 0 H LYS A 112 7.646 4.448 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 112 5.798 5.134 -11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.985 2.674 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.986 2.790 -10.879 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.102 3.294 -12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.017 2.923 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.917 0.961 -12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.065 0.643 -10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.903 1.075 -11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.721 1.496 -13.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.803 -0.908 -12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.240 -0.665 -13.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.304 -1.127 -12.114 1.00 0.00 H new ATOM 1804 N VAL A 113 4.573 5.031 -8.187 1.00 0.00 N ATOM 1805 CA VAL A 113 3.417 5.379 -7.415 1.00 0.00 C ATOM 1806 C VAL A 113 3.101 6.873 -7.532 1.00 0.00 C ATOM 1807 O VAL A 113 1.947 7.252 -7.737 1.00 0.00 O ATOM 1808 CB VAL A 113 3.619 4.968 -5.947 1.00 0.00 C ATOM 1809 CG1 VAL A 113 3.744 3.458 -5.828 1.00 0.00 C ATOM 1810 CG2 VAL A 113 4.829 5.646 -5.327 1.00 0.00 C ATOM 0 H VAL A 113 5.392 4.779 -7.634 1.00 0.00 H new ATOM 0 HA VAL A 113 2.561 4.834 -7.812 1.00 0.00 H new ATOM 0 HB VAL A 113 2.739 5.298 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.886 3.186 -4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.836 2.987 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.599 3.117 -6.411 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.933 5.327 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.725 5.371 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.698 6.728 -5.362 1.00 0.00 H new ATOM 1820 N LYS A 114 4.127 7.714 -7.432 1.00 0.00 N ATOM 1821 CA LYS A 114 3.953 9.156 -7.567 1.00 0.00 C ATOM 1822 C LYS A 114 3.557 9.534 -8.990 1.00 0.00 C ATOM 1823 O LYS A 114 2.781 10.467 -9.208 1.00 0.00 O ATOM 1824 CB LYS A 114 5.224 9.886 -7.160 1.00 0.00 C ATOM 1825 CG LYS A 114 5.541 9.745 -5.683 1.00 0.00 C ATOM 1826 CD LYS A 114 6.699 10.617 -5.278 1.00 0.00 C ATOM 1827 CE LYS A 114 6.382 12.082 -5.487 1.00 0.00 C ATOM 1828 NZ LYS A 114 5.159 12.503 -4.747 1.00 0.00 N ATOM 0 H LYS A 114 5.088 7.421 -7.258 1.00 0.00 H new ATOM 0 HA LYS A 114 3.145 9.459 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.060 9.501 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.124 10.943 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.662 10.010 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.773 8.704 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.941 10.441 -4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.581 10.347 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.229 12.686 -5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.245 12.274 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.055 13.536 -4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.325 12.046 -5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.243 12.221 -3.749 1.00 0.00 H new ATOM 1842 N LEU A 115 4.099 8.800 -9.954 1.00 0.00 N ATOM 1843 CA LEU A 115 3.800 9.026 -11.360 1.00 0.00 C ATOM 1844 C LEU A 115 2.346 8.689 -11.654 1.00 0.00 C ATOM 1845 O LEU A 115 1.678 9.393 -12.408 1.00 0.00 O ATOM 1846 CB LEU A 115 4.726 8.177 -12.240 1.00 0.00 C ATOM 1847 CG LEU A 115 4.569 8.377 -13.750 1.00 0.00 C ATOM 1848 CD1 LEU A 115 4.972 9.785 -14.153 1.00 0.00 C ATOM 1849 CD2 LEU A 115 5.392 7.347 -14.513 1.00 0.00 C ATOM 0 H LEU A 115 4.754 8.037 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 115 3.966 10.079 -11.586 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.758 8.396 -11.968 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.552 7.126 -12.011 1.00 0.00 H new ATOM 0 HG LEU A 115 3.518 8.238 -14.004 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.852 9.904 -15.230 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.340 10.507 -13.636 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.014 9.957 -13.883 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.269 7.504 -15.585 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.444 7.454 -14.249 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.053 6.345 -14.252 1.00 0.00 H new ATOM 1861 N GLY A 116 1.857 7.621 -11.037 1.00 0.00 N ATOM 1862 CA GLY A 116 0.497 7.183 -11.273 1.00 0.00 C ATOM 1863 C GLY A 116 -0.537 8.170 -10.766 1.00 0.00 C ATOM 1864 O GLY A 116 -1.583 8.360 -11.390 1.00 0.00 O ATOM 0 H GLY A 116 2.381 7.049 -10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.351 7.028 -12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.341 6.220 -10.787 1.00 0.00 H new ATOM 1868 N VAL A 117 -0.242 8.812 -9.643 1.00 0.00 N ATOM 1869 CA VAL A 117 -1.189 9.720 -9.010 1.00 0.00 C ATOM 1870 C VAL A 117 -0.990 11.167 -9.459 1.00 0.00 C ATOM 1871 O VAL A 117 -1.726 12.056 -9.026 1.00 0.00 O ATOM 1872 CB VAL A 117 -1.093 9.658 -7.470 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.418 8.258 -6.971 1.00 0.00 C ATOM 1874 CG2 VAL A 117 0.286 10.098 -6.989 1.00 0.00 C ATOM 0 H VAL A 117 0.647 8.720 -9.151 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.178 9.387 -9.326 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.827 10.349 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.345 8.233 -5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.430 7.990 -7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.711 7.546 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.326 10.045 -5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.046 9.441 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.473 11.123 -7.309 1.00 0.00 H new ATOM 1884 N GLU A 118 0.001 11.389 -10.327 1.00 0.00 N ATOM 1885 CA GLU A 118 0.329 12.730 -10.824 1.00 0.00 C ATOM 1886 C GLU A 118 0.652 13.688 -9.674 1.00 0.00 C ATOM 1887 O GLU A 118 -0.226 14.392 -9.166 1.00 0.00 O ATOM 1888 CB GLU A 118 -0.816 13.292 -11.676 1.00 0.00 C ATOM 1889 CG GLU A 118 -1.050 12.532 -12.972 1.00 0.00 C ATOM 1890 CD GLU A 118 0.102 12.670 -13.947 1.00 0.00 C ATOM 1891 OE1 GLU A 118 1.039 11.849 -13.891 1.00 0.00 O ATOM 1892 OE2 GLU A 118 0.075 13.600 -14.778 1.00 0.00 O ATOM 0 H GLU A 118 0.595 10.650 -10.703 1.00 0.00 H new ATOM 0 HA GLU A 118 1.217 12.639 -11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.734 13.279 -11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.603 14.335 -11.911 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -1.206 11.477 -12.747 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.964 12.896 -13.442 1.00 0.00 H new