USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1013 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 45 ASN : amide:sc= -0.844 K(o=-0.84,f=-11!) USER MOD Set 1.2: A 48 THR OG1 : rot 130:sc= 0 USER MOD Set 2.1: A 35 ASN : amide:sc= 0.186 K(o=0.19,f=-0.6) USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 23 MET CE :methyl 175:sc= -0.0593 (180deg=-0.098) USER MOD Set 3.2: A 53 MET CE :methyl 141:sc= -0.567 (180deg=-1.79!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc=-1.45e-05 (180deg=-0.076) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.17) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -51:sc= 0.104 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -54:sc= 0.39 USER MOD Single : A 57 THR OG1 : rot -29:sc= 0.703 USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.19) USER MOD Single : A 60 ASN : amide:sc=-0.000807 K(o=-0.00081,f=-1.2) USER MOD Single : A 61 MET CE :methyl -167:sc= -1.39 (180deg=-1.96) USER MOD Single : A 67 ASN : amide:sc= -0.809 K(o=-0.81,f=-0.14) USER MOD Single : A 69 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.056) USER MOD Single : A 70 HIS : no HD1:sc=-0.00473 X(o=-0.0047,f=-0.012) USER MOD Single : A 72 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.4!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.23) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -122:sc= 0 (180deg=-0.576) USER MOD Single : A 88 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.033) USER MOD Single : A 89 GLN : amide:sc=-0.000218 X(o=-0.00022,f=-0.46) USER MOD Single : A 95 HIS : no HD1:sc= -0.0946 X(o=-0.095,f=-0.029) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 25:sc= 0.452 USER MOD Single : A 101 THR OG1 : rot 93:sc= 1.31 USER MOD Single : A 104 ASN : amide:sc= 0.876 K(o=0.88,f=-5.7!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 102:sc= 1.26 USER MOD Single : A 116 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 119 LYS NZ :NH3+ 159:sc= 1.19 (180deg=0.886) USER MOD Single : A 123 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.059) USER MOD Single : A 124 LYS NZ :NH3+ 162:sc= 0.234 (180deg=0.127) USER MOD Single : A 126 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.45) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -179:sc= 0 (180deg=-0.00245) USER MOD ----------------------------------------------------------------- ATOM 113 N LEU A 8 2.715 6.424 10.274 1.00 0.00 N ATOM 114 CA LEU A 8 2.366 6.685 8.878 1.00 0.00 C ATOM 115 C LEU A 8 2.143 8.193 8.668 1.00 0.00 C ATOM 116 O LEU A 8 1.476 8.820 9.499 1.00 0.00 O ATOM 117 CB LEU A 8 1.130 5.815 8.562 1.00 0.00 C ATOM 118 CG LEU A 8 0.440 5.983 7.205 1.00 0.00 C ATOM 119 CD1 LEU A 8 -0.525 7.174 7.207 1.00 0.00 C ATOM 120 CD2 LEU A 8 1.441 6.025 6.047 1.00 0.00 C ATOM 0 HA LEU A 8 3.164 6.416 8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.429 4.771 8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.386 6.003 9.336 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.168 5.094 7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.996 7.262 6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.292 7.020 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.026 8.088 7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.904 6.145 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.123 6.864 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.010 5.096 6.024 1.00 0.00 H new ATOM 132 N SER A 9 2.726 8.783 7.621 1.00 0.00 N ATOM 133 CA SER A 9 2.560 10.190 7.253 1.00 0.00 C ATOM 134 C SER A 9 1.702 10.369 5.996 1.00 0.00 C ATOM 135 O SER A 9 0.953 11.345 5.942 1.00 0.00 O ATOM 136 CB SER A 9 3.930 10.848 7.044 1.00 0.00 C ATOM 137 OG SER A 9 4.402 11.499 8.210 1.00 0.00 O ATOM 0 H SER A 9 3.346 8.278 6.987 1.00 0.00 H new ATOM 0 HA SER A 9 2.038 10.676 8.077 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.651 10.090 6.738 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.862 11.570 6.231 1.00 0.00 H new ATOM 0 HG SER A 9 5.277 11.901 8.029 1.00 0.00 H new ATOM 143 N LEU A 10 1.772 9.463 5.006 1.00 0.00 N ATOM 144 CA LEU A 10 0.984 9.588 3.776 1.00 0.00 C ATOM 145 C LEU A 10 -0.495 9.788 4.096 1.00 0.00 C ATOM 146 O LEU A 10 -1.039 9.071 4.931 1.00 0.00 O ATOM 147 CB LEU A 10 1.121 8.365 2.849 1.00 0.00 C ATOM 148 CG LEU A 10 2.402 8.230 2.005 1.00 0.00 C ATOM 149 CD1 LEU A 10 2.181 7.232 0.861 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.838 9.565 1.383 1.00 0.00 C ATOM 0 H LEU A 10 2.368 8.636 5.037 1.00 0.00 H new ATOM 0 HA LEU A 10 1.383 10.459 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.032 7.470 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.271 8.368 2.166 1.00 0.00 H new ATOM 0 HG LEU A 10 3.182 7.885 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.094 7.146 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.922 6.257 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.370 7.583 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.746 9.415 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.046 9.940 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.032 10.289 2.174 1.00 0.00 H new ATOM 162 N ASN A 11 -1.168 10.723 3.416 1.00 0.00 N ATOM 163 CA ASN A 11 -2.540 11.132 3.746 1.00 0.00 C ATOM 164 C ASN A 11 -3.599 10.110 3.294 1.00 0.00 C ATOM 165 O ASN A 11 -4.550 10.445 2.583 1.00 0.00 O ATOM 166 CB ASN A 11 -2.842 12.524 3.164 1.00 0.00 C ATOM 167 CG ASN A 11 -4.133 13.089 3.752 1.00 0.00 C ATOM 168 OD1 ASN A 11 -4.590 12.688 4.817 1.00 0.00 O ATOM 169 ND2 ASN A 11 -4.750 14.058 3.101 1.00 0.00 N ATOM 0 H ASN A 11 -0.775 11.220 2.617 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.600 11.178 4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.014 13.200 3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.929 12.459 2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.601 14.468 3.484 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.375 14.396 2.215 1.00 0.00 H new ATOM 176 N PHE A 12 -3.424 8.838 3.657 1.00 0.00 N ATOM 177 CA PHE A 12 -4.187 7.697 3.173 1.00 0.00 C ATOM 178 C PHE A 12 -5.678 7.897 3.375 1.00 0.00 C ATOM 179 O PHE A 12 -6.462 7.511 2.506 1.00 0.00 O ATOM 180 CB PHE A 12 -3.702 6.415 3.861 1.00 0.00 C ATOM 181 CG PHE A 12 -2.611 5.731 3.074 1.00 0.00 C ATOM 182 CD1 PHE A 12 -2.949 5.077 1.879 1.00 0.00 C ATOM 183 CD2 PHE A 12 -1.266 5.814 3.473 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.939 4.535 1.073 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.256 5.254 2.670 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.594 4.625 1.463 1.00 0.00 C ATOM 0 H PHE A 12 -2.708 8.567 4.331 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.021 7.603 2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.334 6.655 4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.541 5.731 3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.984 4.992 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.007 6.309 4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.197 4.045 0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.777 5.308 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.180 4.210 0.834 1.00 0.00 H new ATOM 196 N GLY A 13 -6.059 8.557 4.471 1.00 0.00 N ATOM 197 CA GLY A 13 -7.437 8.883 4.783 1.00 0.00 C ATOM 198 C GLY A 13 -8.175 9.512 3.606 1.00 0.00 C ATOM 199 O GLY A 13 -9.307 9.114 3.344 1.00 0.00 O ATOM 0 H GLY A 13 -5.398 8.883 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.959 7.977 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.461 9.569 5.630 1.00 0.00 H new ATOM 203 N LYS A 14 -7.550 10.445 2.874 1.00 0.00 N ATOM 204 CA LYS A 14 -8.188 11.146 1.757 1.00 0.00 C ATOM 205 C LYS A 14 -8.417 10.227 0.571 1.00 0.00 C ATOM 206 O LYS A 14 -9.554 10.146 0.116 1.00 0.00 O ATOM 207 CB LYS A 14 -7.359 12.376 1.331 1.00 0.00 C ATOM 208 CG LYS A 14 -8.013 13.688 1.802 1.00 0.00 C ATOM 209 CD LYS A 14 -9.070 14.215 0.811 1.00 0.00 C ATOM 210 CE LYS A 14 -8.485 15.090 -0.308 1.00 0.00 C ATOM 211 NZ LYS A 14 -7.938 16.382 0.166 1.00 0.00 N ATOM 0 H LYS A 14 -6.586 10.733 3.042 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.163 11.486 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.354 12.300 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.256 12.389 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.480 13.528 2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.241 14.445 1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.590 13.368 0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.814 14.792 1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.695 14.536 -0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.262 15.285 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.718 16.986 -0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.641 16.856 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.071 16.212 0.714 1.00 0.00 H new ATOM 225 N ALA A 15 -7.390 9.544 0.042 1.00 0.00 N ATOM 226 CA ALA A 15 -7.660 8.633 -1.068 1.00 0.00 C ATOM 227 C ALA A 15 -8.632 7.534 -0.630 1.00 0.00 C ATOM 228 O ALA A 15 -9.446 7.108 -1.441 1.00 0.00 O ATOM 229 CB ALA A 15 -6.381 7.991 -1.565 1.00 0.00 C ATOM 0 H ALA A 15 -6.418 9.601 0.347 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.103 9.216 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.609 7.318 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.694 8.765 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.918 7.428 -0.755 1.00 0.00 H new ATOM 235 N LEU A 16 -8.576 7.073 0.627 1.00 0.00 N ATOM 236 CA LEU A 16 -9.519 6.082 1.138 1.00 0.00 C ATOM 237 C LEU A 16 -10.933 6.643 1.169 1.00 0.00 C ATOM 238 O LEU A 16 -11.851 5.907 0.832 1.00 0.00 O ATOM 239 CB LEU A 16 -9.119 5.561 2.531 1.00 0.00 C ATOM 240 CG LEU A 16 -8.038 4.476 2.428 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.394 4.173 3.775 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.593 3.132 1.947 1.00 0.00 C ATOM 0 H LEU A 16 -7.881 7.376 1.309 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.491 5.236 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.752 6.387 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.996 5.157 3.037 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.321 4.888 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.636 3.400 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.929 5.077 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.156 3.825 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.785 2.403 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.352 2.781 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.038 3.254 0.959 1.00 0.00 H new ATOM 254 N ASP A 17 -11.119 7.913 1.528 1.00 0.00 N ATOM 255 CA ASP A 17 -12.428 8.568 1.565 1.00 0.00 C ATOM 256 C ASP A 17 -13.040 8.661 0.168 1.00 0.00 C ATOM 257 O ASP A 17 -14.260 8.648 0.037 1.00 0.00 O ATOM 258 CB ASP A 17 -12.307 9.976 2.165 1.00 0.00 C ATOM 259 CG ASP A 17 -13.682 10.597 2.423 1.00 0.00 C ATOM 260 OD1 ASP A 17 -14.448 10.078 3.269 1.00 0.00 O ATOM 261 OD2 ASP A 17 -13.976 11.657 1.818 1.00 0.00 O ATOM 0 H ASP A 17 -10.353 8.526 1.806 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.082 7.962 2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.748 9.927 3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.740 10.614 1.487 1.00 0.00 H new ATOM 266 N GLU A 18 -12.222 8.704 -0.888 1.00 0.00 N ATOM 267 CA GLU A 18 -12.692 8.613 -2.256 1.00 0.00 C ATOM 268 C GLU A 18 -12.892 7.157 -2.672 1.00 0.00 C ATOM 269 O GLU A 18 -13.948 6.841 -3.212 1.00 0.00 O ATOM 270 CB GLU A 18 -11.694 9.321 -3.180 1.00 0.00 C ATOM 271 CG GLU A 18 -11.434 10.766 -2.783 1.00 0.00 C ATOM 272 CD GLU A 18 -12.576 11.721 -3.138 1.00 0.00 C ATOM 273 OE1 GLU A 18 -12.917 11.900 -4.330 1.00 0.00 O ATOM 274 OE2 GLU A 18 -13.191 12.308 -2.222 1.00 0.00 O ATOM 0 H GLU A 18 -11.210 8.804 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.661 9.105 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.751 8.774 -3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.072 9.294 -4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.256 10.811 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.522 11.108 -3.272 1.00 0.00 H new ATOM 281 N CYS A 19 -11.927 6.266 -2.422 1.00 0.00 N ATOM 282 CA CYS A 19 -11.945 4.858 -2.798 1.00 0.00 C ATOM 283 C CYS A 19 -13.115 4.106 -2.174 1.00 0.00 C ATOM 284 O CYS A 19 -13.750 3.283 -2.836 1.00 0.00 O ATOM 285 CB CYS A 19 -10.626 4.209 -2.378 1.00 0.00 C ATOM 286 SG CYS A 19 -9.244 4.522 -3.501 1.00 0.00 S ATOM 0 H CYS A 19 -11.073 6.525 -1.928 1.00 0.00 H new ATOM 0 HA CYS A 19 -12.069 4.803 -3.880 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.359 4.569 -1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.775 3.132 -2.297 1.00 0.00 H new ATOM 291 N LYS A 20 -13.418 4.396 -0.907 1.00 0.00 N ATOM 292 CA LYS A 20 -14.581 3.854 -0.221 1.00 0.00 C ATOM 293 C LYS A 20 -15.866 4.268 -0.926 1.00 0.00 C ATOM 294 O LYS A 20 -16.857 3.573 -0.765 1.00 0.00 O ATOM 295 CB LYS A 20 -14.582 4.259 1.266 1.00 0.00 C ATOM 296 CG LYS A 20 -14.866 5.749 1.515 1.00 0.00 C ATOM 297 CD LYS A 20 -16.310 6.116 1.881 1.00 0.00 C ATOM 298 CE LYS A 20 -16.732 5.525 3.239 1.00 0.00 C ATOM 299 NZ LYS A 20 -15.980 6.078 4.394 1.00 0.00 N ATOM 0 H LYS A 20 -12.855 5.019 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.527 2.766 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.330 3.666 1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.614 4.008 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.212 6.092 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.589 6.304 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.411 7.201 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.983 5.755 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.796 5.708 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.595 4.444 3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.293 5.610 5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.963 5.911 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.157 7.100 4.466 1.00 0.00 H new ATOM 313 N LYS A 21 -15.887 5.369 -1.688 1.00 0.00 N ATOM 314 CA LYS A 21 -17.053 5.755 -2.464 1.00 0.00 C ATOM 315 C LYS A 21 -16.977 5.159 -3.872 1.00 0.00 C ATOM 316 O LYS A 21 -18.000 4.697 -4.379 1.00 0.00 O ATOM 317 CB LYS A 21 -17.196 7.280 -2.503 1.00 0.00 C ATOM 318 CG LYS A 21 -17.270 7.840 -1.080 1.00 0.00 C ATOM 319 CD LYS A 21 -17.313 9.364 -1.057 1.00 0.00 C ATOM 320 CE LYS A 21 -17.298 9.822 0.396 1.00 0.00 C ATOM 321 NZ LYS A 21 -17.320 11.287 0.496 1.00 0.00 N ATOM 0 H LYS A 21 -15.097 6.008 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.945 5.355 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.349 7.719 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -18.094 7.554 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.157 7.447 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.407 7.495 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.458 9.776 -1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.210 9.726 -1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.160 9.407 0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.408 9.435 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.309 11.567 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.484 11.680 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.182 11.653 0.044 1.00 0.00 H new ATOM 335 N GLU A 22 -15.781 5.131 -4.479 1.00 0.00 N ATOM 336 CA GLU A 22 -15.507 4.619 -5.824 1.00 0.00 C ATOM 337 C GLU A 22 -16.036 3.196 -5.938 1.00 0.00 C ATOM 338 O GLU A 22 -16.941 2.922 -6.718 1.00 0.00 O ATOM 339 CB GLU A 22 -13.998 4.650 -6.156 1.00 0.00 C ATOM 340 CG GLU A 22 -13.395 6.058 -6.251 1.00 0.00 C ATOM 341 CD GLU A 22 -12.727 6.354 -7.595 1.00 0.00 C ATOM 342 OE1 GLU A 22 -11.645 5.804 -7.904 1.00 0.00 O ATOM 343 OE2 GLU A 22 -13.246 7.229 -8.325 1.00 0.00 O ATOM 0 H GLU A 22 -14.940 5.482 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.012 5.265 -6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.459 4.089 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.837 4.135 -7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.181 6.792 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.661 6.183 -5.455 1.00 0.00 H new ATOM 350 N MET A 23 -15.519 2.309 -5.090 1.00 0.00 N ATOM 351 CA MET A 23 -15.873 0.896 -5.071 1.00 0.00 C ATOM 352 C MET A 23 -17.025 0.642 -4.080 1.00 0.00 C ATOM 353 O MET A 23 -17.308 -0.507 -3.739 1.00 0.00 O ATOM 354 CB MET A 23 -14.647 0.029 -4.725 1.00 0.00 C ATOM 355 CG MET A 23 -13.234 0.611 -4.873 1.00 0.00 C ATOM 356 SD MET A 23 -12.060 -0.471 -5.728 1.00 0.00 S ATOM 357 CE MET A 23 -11.818 0.513 -7.233 1.00 0.00 C ATOM 0 H MET A 23 -14.828 2.561 -4.383 1.00 0.00 H new ATOM 0 HA MET A 23 -16.212 0.613 -6.068 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.759 -0.294 -3.690 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.696 -0.866 -5.345 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.299 1.555 -5.414 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.843 0.838 -3.881 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.051 0.048 -7.852 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.754 0.562 -7.790 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.504 1.521 -6.962 1.00 0.00 H new ATOM 367 N THR A 24 -17.631 1.717 -3.558 1.00 0.00 N ATOM 368 CA THR A 24 -18.639 1.774 -2.504 1.00 0.00 C ATOM 369 C THR A 24 -18.335 0.877 -1.284 1.00 0.00 C ATOM 370 O THR A 24 -19.259 0.390 -0.627 1.00 0.00 O ATOM 371 CB THR A 24 -20.044 1.623 -3.110 1.00 0.00 C ATOM 372 OG1 THR A 24 -21.021 2.128 -2.216 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.364 0.196 -3.542 1.00 0.00 C ATOM 0 H THR A 24 -17.403 2.651 -3.898 1.00 0.00 H new ATOM 0 HA THR A 24 -18.603 2.766 -2.053 1.00 0.00 H new ATOM 0 HB THR A 24 -20.062 2.216 -4.024 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.887 1.734 -1.329 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.370 0.159 -3.961 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.645 -0.126 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.306 -0.467 -2.679 1.00 0.00 H new ATOM 381 N LEU A 25 -17.058 0.659 -0.951 1.00 0.00 N ATOM 382 CA LEU A 25 -16.670 -0.306 0.077 1.00 0.00 C ATOM 383 C LEU A 25 -17.279 0.039 1.452 1.00 0.00 C ATOM 384 O LEU A 25 -17.776 1.145 1.700 1.00 0.00 O ATOM 385 CB LEU A 25 -15.137 -0.388 0.243 1.00 0.00 C ATOM 386 CG LEU A 25 -14.259 -0.462 -1.025 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.795 -0.240 -0.644 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.382 -1.823 -1.714 1.00 0.00 C ATOM 0 H LEU A 25 -16.272 1.144 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.055 -1.267 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.819 0.483 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.916 -1.266 0.850 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.601 0.311 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.174 -0.292 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.684 0.741 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.482 -1.010 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.751 -1.839 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.064 -2.608 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.419 -1.992 -2.003 1.00 0.00 H new ATOM 400 N THR A 26 -17.094 -0.876 2.397 1.00 0.00 N ATOM 401 CA THR A 26 -17.600 -0.771 3.764 1.00 0.00 C ATOM 402 C THR A 26 -16.648 0.076 4.607 1.00 0.00 C ATOM 403 O THR A 26 -15.462 0.167 4.298 1.00 0.00 O ATOM 404 CB THR A 26 -17.755 -2.177 4.368 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.651 -3.017 4.036 1.00 0.00 O ATOM 406 CG2 THR A 26 -19.048 -2.837 3.882 1.00 0.00 C ATOM 0 H THR A 26 -16.573 -1.737 2.230 1.00 0.00 H new ATOM 0 HA THR A 26 -18.576 -0.286 3.754 1.00 0.00 H new ATOM 0 HB THR A 26 -17.790 -2.055 5.451 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.781 -3.902 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 26 -19.137 -3.830 4.322 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.902 -2.229 4.182 1.00 0.00 H new ATOM 0 HG23 THR A 26 -19.027 -2.922 2.795 1.00 0.00 H new ATOM 414 N ASP A 27 -17.135 0.657 5.701 1.00 0.00 N ATOM 415 CA ASP A 27 -16.354 1.566 6.535 1.00 0.00 C ATOM 416 C ASP A 27 -15.291 0.857 7.354 1.00 0.00 C ATOM 417 O ASP A 27 -14.348 1.501 7.808 1.00 0.00 O ATOM 418 CB ASP A 27 -17.256 2.330 7.501 1.00 0.00 C ATOM 419 CG ASP A 27 -16.839 3.797 7.565 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.746 4.407 6.470 1.00 0.00 O ATOM 421 OD2 ASP A 27 -16.759 4.375 8.669 1.00 0.00 O ATOM 0 H ASP A 27 -18.087 0.509 6.035 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.862 2.247 5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.294 2.253 7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.197 1.884 8.494 1.00 0.00 H new ATOM 426 N ALA A 28 -15.437 -0.458 7.519 1.00 0.00 N ATOM 427 CA ALA A 28 -14.438 -1.339 8.110 1.00 0.00 C ATOM 428 C ALA A 28 -13.039 -1.000 7.599 1.00 0.00 C ATOM 429 O ALA A 28 -12.132 -0.850 8.406 1.00 0.00 O ATOM 430 CB ALA A 28 -14.772 -2.803 7.809 1.00 0.00 C ATOM 0 H ALA A 28 -16.283 -0.952 7.235 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.452 -1.190 9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.016 -3.448 8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -15.750 -3.046 8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.788 -2.958 6.730 1.00 0.00 H new ATOM 436 N ILE A 29 -12.881 -0.805 6.284 1.00 0.00 N ATOM 437 CA ILE A 29 -11.620 -0.514 5.592 1.00 0.00 C ATOM 438 C ILE A 29 -10.874 0.706 6.158 1.00 0.00 C ATOM 439 O ILE A 29 -9.658 0.804 6.007 1.00 0.00 O ATOM 440 CB ILE A 29 -11.863 -0.482 4.062 1.00 0.00 C ATOM 441 CG1 ILE A 29 -12.560 0.812 3.593 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.658 -1.713 3.578 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.506 1.825 3.179 1.00 0.00 C ATOM 0 H ILE A 29 -13.671 -0.848 5.640 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.920 -1.326 5.787 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.872 -0.507 3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.225 0.598 2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.177 1.218 4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.806 -1.650 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.103 -2.621 3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.627 -1.739 4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.993 2.742 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.859 2.045 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.908 1.416 2.365 1.00 0.00 H new ATOM 455 N ASN A 30 -11.577 1.628 6.821 1.00 0.00 N ATOM 456 CA ASN A 30 -11.000 2.807 7.461 1.00 0.00 C ATOM 457 C ASN A 30 -10.059 2.404 8.602 1.00 0.00 C ATOM 458 O ASN A 30 -9.103 3.117 8.903 1.00 0.00 O ATOM 459 CB ASN A 30 -12.152 3.677 7.992 1.00 0.00 C ATOM 460 CG ASN A 30 -11.813 5.151 8.138 1.00 0.00 C ATOM 461 OD1 ASN A 30 -10.684 5.555 8.397 1.00 0.00 O ATOM 462 ND2 ASN A 30 -12.811 6.002 7.965 1.00 0.00 N ATOM 0 H ASN A 30 -12.590 1.571 6.929 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.410 3.368 6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.005 3.578 7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.464 3.291 8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.646 7.005 8.047 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.746 5.655 7.750 1.00 0.00 H new ATOM 469 N GLU A 31 -10.312 1.248 9.219 1.00 0.00 N ATOM 470 CA GLU A 31 -9.490 0.629 10.247 1.00 0.00 C ATOM 471 C GLU A 31 -8.783 -0.588 9.657 1.00 0.00 C ATOM 472 O GLU A 31 -7.574 -0.713 9.804 1.00 0.00 O ATOM 473 CB GLU A 31 -10.367 0.204 11.437 1.00 0.00 C ATOM 474 CG GLU A 31 -10.958 1.388 12.214 1.00 0.00 C ATOM 475 CD GLU A 31 -9.928 2.052 13.129 1.00 0.00 C ATOM 476 OE1 GLU A 31 -9.071 2.838 12.653 1.00 0.00 O ATOM 477 OE2 GLU A 31 -10.006 1.827 14.359 1.00 0.00 O ATOM 0 H GLU A 31 -11.140 0.694 9.000 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.748 1.345 10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.180 -0.424 11.073 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.773 -0.406 12.117 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.345 2.125 11.510 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.803 1.043 12.811 1.00 0.00 H new ATOM 484 N ASP A 32 -9.509 -1.480 8.977 1.00 0.00 N ATOM 485 CA ASP A 32 -9.042 -2.835 8.703 1.00 0.00 C ATOM 486 C ASP A 32 -7.877 -2.876 7.721 1.00 0.00 C ATOM 487 O ASP A 32 -7.097 -3.824 7.717 1.00 0.00 O ATOM 488 CB ASP A 32 -10.190 -3.798 8.330 1.00 0.00 C ATOM 489 CG ASP A 32 -10.086 -5.144 9.073 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.787 -5.112 10.295 1.00 0.00 O ATOM 491 OD2 ASP A 32 -10.517 -6.177 8.502 1.00 0.00 O ATOM 0 H ASP A 32 -10.436 -1.280 8.603 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.639 -3.210 9.644 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.146 -3.329 8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.177 -3.977 7.255 1.00 0.00 H new ATOM 496 N PHE A 33 -7.716 -1.828 6.915 1.00 0.00 N ATOM 497 CA PHE A 33 -6.513 -1.588 6.134 1.00 0.00 C ATOM 498 C PHE A 33 -5.277 -1.423 7.018 1.00 0.00 C ATOM 499 O PHE A 33 -4.251 -2.052 6.791 1.00 0.00 O ATOM 500 CB PHE A 33 -6.707 -0.303 5.332 1.00 0.00 C ATOM 501 CG PHE A 33 -5.464 0.184 4.614 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.681 -0.701 3.847 1.00 0.00 C ATOM 503 CD2 PHE A 33 -5.110 1.542 4.683 1.00 0.00 C ATOM 504 CE1 PHE A 33 -3.593 -0.212 3.111 1.00 0.00 C ATOM 505 CE2 PHE A 33 -4.029 2.035 3.940 1.00 0.00 C ATOM 506 CZ PHE A 33 -3.282 1.160 3.140 1.00 0.00 C ATOM 0 H PHE A 33 -8.432 -1.113 6.787 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.353 -2.450 5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.496 -0.464 4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.053 0.481 6.005 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.919 -1.754 3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.676 2.211 5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.993 -0.889 2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.773 3.083 3.984 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.465 1.540 2.544 1.00 0.00 H new ATOM 516 N TYR A 34 -5.371 -0.548 8.010 1.00 0.00 N ATOM 517 CA TYR A 34 -4.296 -0.246 8.938 1.00 0.00 C ATOM 518 C TYR A 34 -4.079 -1.441 9.874 1.00 0.00 C ATOM 519 O TYR A 34 -2.961 -1.715 10.314 1.00 0.00 O ATOM 520 CB TYR A 34 -4.682 1.011 9.725 1.00 0.00 C ATOM 521 CG TYR A 34 -4.846 2.271 8.881 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.043 2.485 8.162 1.00 0.00 C ATOM 523 CD2 TYR A 34 -3.816 3.232 8.813 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.224 3.644 7.384 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.004 4.409 8.069 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.215 4.632 7.375 1.00 0.00 C ATOM 527 OH TYR A 34 -5.422 5.823 6.751 1.00 0.00 O ATOM 0 H TYR A 34 -6.221 -0.016 8.194 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.362 -0.063 8.406 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.617 0.820 10.252 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.921 1.195 10.483 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.831 1.748 8.210 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.884 3.063 9.332 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.124 3.776 6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.218 5.148 8.027 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.624 6.384 6.844 1.00 0.00 H new ATOM 537 N ASN A 35 -5.159 -2.157 10.194 1.00 0.00 N ATOM 538 CA ASN A 35 -5.113 -3.432 10.904 1.00 0.00 C ATOM 539 C ASN A 35 -4.402 -4.502 10.088 1.00 0.00 C ATOM 540 O ASN A 35 -3.784 -5.369 10.694 1.00 0.00 O ATOM 541 CB ASN A 35 -6.497 -3.999 11.243 1.00 0.00 C ATOM 542 CG ASN A 35 -7.338 -3.156 12.188 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.823 -2.427 13.032 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.652 -3.267 12.107 1.00 0.00 N ATOM 0 H ASN A 35 -6.106 -1.859 9.962 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.577 -3.203 11.825 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.052 -4.135 10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.367 -4.987 11.684 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.248 -2.745 12.749 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.070 -3.875 11.403 1.00 0.00 H new ATOM 551 N PHE A 36 -4.484 -4.475 8.751 1.00 0.00 N ATOM 552 CA PHE A 36 -3.986 -5.537 7.879 1.00 0.00 C ATOM 553 C PHE A 36 -2.527 -5.866 8.212 1.00 0.00 C ATOM 554 O PHE A 36 -2.134 -7.031 8.247 1.00 0.00 O ATOM 555 CB PHE A 36 -4.137 -5.129 6.405 1.00 0.00 C ATOM 556 CG PHE A 36 -3.713 -6.112 5.325 1.00 0.00 C ATOM 557 CD1 PHE A 36 -3.601 -7.501 5.547 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.396 -5.592 4.056 1.00 0.00 C ATOM 559 CE1 PHE A 36 -3.159 -8.349 4.516 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.958 -6.439 3.025 1.00 0.00 C ATOM 561 CZ PHE A 36 -2.832 -7.817 3.259 1.00 0.00 C ATOM 0 H PHE A 36 -4.906 -3.699 8.240 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.579 -6.436 8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.186 -4.885 6.236 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.569 -4.211 6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.856 -7.914 6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.490 -4.532 3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.071 -9.411 4.692 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.719 -6.031 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.483 -8.468 2.471 1.00 0.00 H new ATOM 571 N TRP A 37 -1.725 -4.830 8.471 1.00 0.00 N ATOM 572 CA TRP A 37 -0.305 -4.956 8.750 1.00 0.00 C ATOM 573 C TRP A 37 -0.036 -5.591 10.115 1.00 0.00 C ATOM 574 O TRP A 37 1.032 -6.181 10.288 1.00 0.00 O ATOM 575 CB TRP A 37 0.359 -3.569 8.705 1.00 0.00 C ATOM 576 CG TRP A 37 -0.118 -2.638 7.630 1.00 0.00 C ATOM 577 CD1 TRP A 37 -0.382 -2.976 6.349 1.00 0.00 C ATOM 578 CD2 TRP A 37 -0.450 -1.222 7.746 1.00 0.00 C ATOM 579 NE1 TRP A 37 -0.894 -1.886 5.678 1.00 0.00 N ATOM 580 CE2 TRP A 37 -0.982 -0.781 6.500 1.00 0.00 C ATOM 581 CE3 TRP A 37 -0.376 -0.272 8.787 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -1.451 0.529 6.316 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -0.803 1.056 8.599 1.00 0.00 C ATOM 584 CH2 TRP A 37 -1.352 1.453 7.368 1.00 0.00 C ATOM 0 H TRP A 37 -2.057 -3.866 8.491 1.00 0.00 H new ATOM 0 HA TRP A 37 0.116 -5.609 7.986 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.206 -3.085 9.670 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.433 -3.708 8.585 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.217 -3.952 5.916 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.173 -1.895 4.697 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.016 -0.570 9.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.885 0.824 5.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.708 1.771 9.403 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.697 2.467 7.232 1.00 0.00 H new ATOM 595 N LYS A 38 -0.938 -5.419 11.093 1.00 0.00 N ATOM 596 CA LYS A 38 -0.751 -5.884 12.470 1.00 0.00 C ATOM 597 C LYS A 38 -0.716 -7.412 12.519 1.00 0.00 C ATOM 598 O LYS A 38 -1.204 -8.090 11.612 1.00 0.00 O ATOM 599 CB LYS A 38 -1.904 -5.389 13.360 1.00 0.00 C ATOM 600 CG LYS A 38 -1.976 -3.866 13.552 1.00 0.00 C ATOM 601 CD LYS A 38 -3.185 -3.503 14.438 1.00 0.00 C ATOM 602 CE LYS A 38 -2.872 -2.401 15.454 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.022 -2.186 16.354 1.00 0.00 N ATOM 0 H LYS A 38 -1.829 -4.946 10.944 1.00 0.00 H new ATOM 0 HA LYS A 38 0.196 -5.485 12.835 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.846 -5.730 12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.813 -5.859 14.339 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.056 -3.505 14.012 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.063 -3.373 12.584 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.010 -3.181 13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.520 -4.394 14.968 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.993 -2.675 16.037 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.633 -1.474 14.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.793 -1.436 17.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.852 -1.904 15.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.232 -3.067 16.865 1.00 0.00 H new ATOM 617 N GLU A 39 -0.124 -7.950 13.579 1.00 0.00 N ATOM 618 CA GLU A 39 0.117 -9.366 13.705 1.00 0.00 C ATOM 619 C GLU A 39 -1.082 -10.029 14.388 1.00 0.00 C ATOM 620 O GLU A 39 -1.899 -9.405 15.086 1.00 0.00 O ATOM 621 CB GLU A 39 1.478 -9.597 14.384 1.00 0.00 C ATOM 622 CG GLU A 39 2.644 -9.298 13.410 1.00 0.00 C ATOM 623 CD GLU A 39 2.804 -7.829 12.968 1.00 0.00 C ATOM 624 OE1 GLU A 39 2.530 -6.909 13.784 1.00 0.00 O ATOM 625 OE2 GLU A 39 3.155 -7.613 11.776 1.00 0.00 O ATOM 0 H GLU A 39 0.201 -7.404 14.377 1.00 0.00 H new ATOM 0 HA GLU A 39 0.197 -9.851 12.732 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.562 -8.959 15.264 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.545 -10.628 14.731 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.574 -9.617 13.881 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.511 -9.911 12.519 1.00 0.00 H new ATOM 632 N GLY A 40 -1.178 -11.339 14.177 1.00 0.00 N ATOM 633 CA GLY A 40 -2.300 -12.174 14.569 1.00 0.00 C ATOM 634 C GLY A 40 -3.615 -11.838 13.863 1.00 0.00 C ATOM 635 O GLY A 40 -4.668 -12.276 14.326 1.00 0.00 O ATOM 0 H GLY A 40 -0.442 -11.866 13.708 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.050 -13.216 14.368 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.446 -12.083 15.645 1.00 0.00 H new ATOM 639 N TYR A 41 -3.610 -10.960 12.865 1.00 0.00 N ATOM 640 CA TYR A 41 -4.792 -10.346 12.299 1.00 0.00 C ATOM 641 C TYR A 41 -5.092 -10.969 10.932 1.00 0.00 C ATOM 642 O TYR A 41 -4.275 -10.892 10.014 1.00 0.00 O ATOM 643 CB TYR A 41 -4.496 -8.845 12.237 1.00 0.00 C ATOM 644 CG TYR A 41 -5.545 -7.955 12.868 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.887 -7.964 12.444 1.00 0.00 C ATOM 646 CD2 TYR A 41 -5.131 -7.051 13.852 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.794 -7.006 12.923 1.00 0.00 C ATOM 648 CE2 TYR A 41 -6.031 -6.093 14.346 1.00 0.00 C ATOM 649 CZ TYR A 41 -7.373 -6.081 13.905 1.00 0.00 C ATOM 650 OH TYR A 41 -8.222 -5.165 14.440 1.00 0.00 O ATOM 0 H TYR A 41 -2.748 -10.650 12.416 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.689 -10.511 12.896 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.541 -8.659 12.728 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.379 -8.557 11.192 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.222 -8.715 11.744 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.121 -7.090 14.231 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.805 -6.976 12.544 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.696 -5.362 15.067 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.743 -4.620 15.099 1.00 0.00 H new ATOM 660 N GLU A 42 -6.261 -11.597 10.778 1.00 0.00 N ATOM 661 CA GLU A 42 -6.614 -12.356 9.578 1.00 0.00 C ATOM 662 C GLU A 42 -7.480 -11.517 8.628 1.00 0.00 C ATOM 663 O GLU A 42 -8.657 -11.817 8.396 1.00 0.00 O ATOM 664 CB GLU A 42 -7.274 -13.687 9.972 1.00 0.00 C ATOM 665 CG GLU A 42 -6.259 -14.781 10.312 1.00 0.00 C ATOM 666 CD GLU A 42 -5.474 -14.552 11.610 1.00 0.00 C ATOM 667 OE1 GLU A 42 -6.035 -14.820 12.705 1.00 0.00 O ATOM 668 OE2 GLU A 42 -4.268 -14.235 11.509 1.00 0.00 O ATOM 0 H GLU A 42 -6.993 -11.592 11.488 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.706 -12.597 9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.925 -13.523 10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.907 -14.028 9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.784 -15.733 10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.552 -14.869 9.487 1.00 0.00 H new ATOM 675 N ILE A 43 -6.893 -10.470 8.041 1.00 0.00 N ATOM 676 CA ILE A 43 -7.575 -9.614 7.074 1.00 0.00 C ATOM 677 C ILE A 43 -7.499 -10.305 5.710 1.00 0.00 C ATOM 678 O ILE A 43 -6.702 -9.956 4.844 1.00 0.00 O ATOM 679 CB ILE A 43 -7.094 -8.153 7.064 1.00 0.00 C ATOM 680 CG1 ILE A 43 -7.121 -7.550 8.478 1.00 0.00 C ATOM 681 CG2 ILE A 43 -8.060 -7.333 6.192 1.00 0.00 C ATOM 682 CD1 ILE A 43 -5.951 -7.976 9.349 1.00 0.00 C ATOM 0 H ILE A 43 -5.929 -10.194 8.226 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.618 -9.504 7.370 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.074 -8.127 6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.126 -6.463 8.399 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.051 -7.839 8.968 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.737 -6.292 6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.063 -7.732 5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.066 -7.392 6.608 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.040 -7.510 10.331 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.956 -9.060 9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.017 -7.663 8.882 1.00 0.00 H new ATOM 694 N LYS A 44 -8.351 -11.308 5.519 1.00 0.00 N ATOM 695 CA LYS A 44 -8.494 -12.065 4.280 1.00 0.00 C ATOM 696 C LYS A 44 -9.756 -11.655 3.514 1.00 0.00 C ATOM 697 O LYS A 44 -10.233 -12.408 2.656 1.00 0.00 O ATOM 698 CB LYS A 44 -8.375 -13.568 4.562 1.00 0.00 C ATOM 699 CG LYS A 44 -9.361 -14.056 5.626 1.00 0.00 C ATOM 700 CD LYS A 44 -9.848 -15.491 5.397 1.00 0.00 C ATOM 701 CE LYS A 44 -10.783 -15.568 4.180 1.00 0.00 C ATOM 702 NZ LYS A 44 -11.369 -16.912 4.004 1.00 0.00 N ATOM 0 H LYS A 44 -8.985 -11.628 6.251 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.674 -11.820 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.544 -14.120 3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.359 -13.792 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.886 -13.994 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.222 -13.388 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.993 -16.149 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.371 -15.847 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.584 -14.838 4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.229 -15.296 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.992 -16.913 3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.608 -17.608 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.921 -17.163 4.849 1.00 0.00 H new ATOM 716 N ASN A 45 -10.358 -10.513 3.855 1.00 0.00 N ATOM 717 CA ASN A 45 -11.469 -9.950 3.099 1.00 0.00 C ATOM 718 C ASN A 45 -10.960 -9.428 1.751 1.00 0.00 C ATOM 719 O ASN A 45 -9.816 -9.026 1.577 1.00 0.00 O ATOM 720 CB ASN A 45 -12.242 -8.881 3.894 1.00 0.00 C ATOM 721 CG ASN A 45 -13.029 -7.964 2.973 1.00 0.00 C ATOM 722 OD1 ASN A 45 -12.509 -6.934 2.600 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.161 -8.392 2.419 1.00 0.00 N ATOM 0 H ASN A 45 -10.085 -9.955 4.664 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.193 -10.742 2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.922 -9.367 4.593 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.543 -8.291 4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.600 -7.852 1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.590 -9.260 2.740 1.00 0.00 H new ATOM 730 N ARG A 46 -11.868 -9.449 0.787 1.00 0.00 N ATOM 731 CA ARG A 46 -11.685 -9.133 -0.627 1.00 0.00 C ATOM 732 C ARG A 46 -11.574 -7.623 -0.846 1.00 0.00 C ATOM 733 O ARG A 46 -10.754 -7.150 -1.625 1.00 0.00 O ATOM 734 CB ARG A 46 -12.922 -9.636 -1.378 1.00 0.00 C ATOM 735 CG ARG A 46 -13.301 -11.084 -1.049 1.00 0.00 C ATOM 736 CD ARG A 46 -14.694 -11.358 -1.594 1.00 0.00 C ATOM 737 NE ARG A 46 -14.900 -12.804 -1.728 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.047 -13.408 -2.046 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.153 -12.708 -2.248 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.071 -14.727 -2.135 1.00 0.00 N ATOM 0 H ARG A 46 -12.834 -9.709 0.988 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.769 -9.604 -0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.766 -8.987 -1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.743 -9.552 -2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.580 -11.773 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.278 -11.245 0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.445 -10.935 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.818 -10.873 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.092 -13.404 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.136 -11.692 -2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.021 -13.185 -2.490 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.222 -15.265 -1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.938 -15.206 -2.377 1.00 0.00 H new ATOM 754 N GLU A 47 -12.438 -6.879 -0.165 1.00 0.00 N ATOM 755 CA GLU A 47 -12.671 -5.447 -0.270 1.00 0.00 C ATOM 756 C GLU A 47 -11.475 -4.667 0.316 1.00 0.00 C ATOM 757 O GLU A 47 -11.171 -3.579 -0.164 1.00 0.00 O ATOM 758 CB GLU A 47 -14.004 -5.151 0.407 1.00 0.00 C ATOM 759 CG GLU A 47 -15.167 -5.699 -0.424 1.00 0.00 C ATOM 760 CD GLU A 47 -15.513 -5.124 -1.802 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.386 -4.229 -1.869 1.00 0.00 O ATOM 762 OE2 GLU A 47 -15.081 -5.715 -2.815 1.00 0.00 O ATOM 0 H GLU A 47 -13.046 -7.302 0.536 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.741 -5.117 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.019 -5.597 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.120 -4.075 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.981 -6.764 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.063 -5.610 0.190 1.00 0.00 H new ATOM 769 N THR A 48 -10.725 -5.243 1.264 1.00 0.00 N ATOM 770 CA THR A 48 -9.396 -4.789 1.671 1.00 0.00 C ATOM 771 C THR A 48 -8.482 -4.726 0.448 1.00 0.00 C ATOM 772 O THR A 48 -7.855 -3.692 0.201 1.00 0.00 O ATOM 773 CB THR A 48 -8.839 -5.731 2.763 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.654 -5.616 3.913 1.00 0.00 O ATOM 775 CG2 THR A 48 -7.386 -5.468 3.188 1.00 0.00 C ATOM 0 H THR A 48 -11.039 -6.063 1.783 1.00 0.00 H new ATOM 0 HA THR A 48 -9.452 -3.787 2.096 1.00 0.00 H new ATOM 0 HB THR A 48 -8.849 -6.727 2.320 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.916 -6.509 4.219 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.097 -6.184 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.729 -5.577 2.325 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.300 -4.456 3.584 1.00 0.00 H new ATOM 783 N GLY A 49 -8.449 -5.807 -0.339 1.00 0.00 N ATOM 784 CA GLY A 49 -7.755 -5.854 -1.612 1.00 0.00 C ATOM 785 C GLY A 49 -8.215 -4.727 -2.513 1.00 0.00 C ATOM 786 O GLY A 49 -7.382 -4.032 -3.080 1.00 0.00 O ATOM 0 H GLY A 49 -8.914 -6.682 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.680 -5.780 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.939 -6.813 -2.097 1.00 0.00 H new ATOM 790 N CYS A 50 -9.527 -4.521 -2.631 1.00 0.00 N ATOM 791 CA CYS A 50 -10.070 -3.466 -3.465 1.00 0.00 C ATOM 792 C CYS A 50 -9.592 -2.082 -3.028 1.00 0.00 C ATOM 793 O CYS A 50 -9.277 -1.263 -3.885 1.00 0.00 O ATOM 794 CB CYS A 50 -11.591 -3.493 -3.440 1.00 0.00 C ATOM 795 SG CYS A 50 -12.421 -4.980 -4.048 1.00 0.00 S ATOM 0 H CYS A 50 -10.233 -5.080 -2.152 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.710 -3.651 -4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.911 -3.328 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.950 -2.647 -4.025 1.00 0.00 H new ATOM 800 N ALA A 51 -9.533 -1.789 -1.724 1.00 0.00 N ATOM 801 CA ALA A 51 -9.059 -0.485 -1.279 1.00 0.00 C ATOM 802 C ALA A 51 -7.596 -0.291 -1.664 1.00 0.00 C ATOM 803 O ALA A 51 -7.256 0.779 -2.155 1.00 0.00 O ATOM 804 CB ALA A 51 -9.270 -0.270 0.227 1.00 0.00 C ATOM 0 H ALA A 51 -9.803 -2.427 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.657 0.271 -1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.901 0.716 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.333 -0.339 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.727 -1.034 0.783 1.00 0.00 H new ATOM 810 N ILE A 52 -6.748 -1.308 -1.501 1.00 0.00 N ATOM 811 CA ILE A 52 -5.337 -1.269 -1.881 1.00 0.00 C ATOM 812 C ILE A 52 -5.247 -1.059 -3.408 1.00 0.00 C ATOM 813 O ILE A 52 -4.537 -0.189 -3.892 1.00 0.00 O ATOM 814 CB ILE A 52 -4.647 -2.557 -1.378 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.703 -2.580 0.170 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.190 -2.635 -1.872 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.357 -3.916 0.819 1.00 0.00 C ATOM 0 H ILE A 52 -7.030 -2.199 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.808 -0.437 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.171 -3.426 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.019 -1.822 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.706 -2.292 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.729 -3.551 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.175 -2.635 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.634 -1.774 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.427 -3.823 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.055 -4.679 0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.342 -4.202 0.544 1.00 0.00 H new ATOM 829 N MET A 53 -6.010 -1.830 -4.177 1.00 0.00 N ATOM 830 CA MET A 53 -6.070 -1.816 -5.638 1.00 0.00 C ATOM 831 C MET A 53 -6.567 -0.466 -6.192 1.00 0.00 C ATOM 832 O MET A 53 -6.098 -0.006 -7.230 1.00 0.00 O ATOM 833 CB MET A 53 -7.026 -2.958 -6.015 1.00 0.00 C ATOM 834 CG MET A 53 -7.092 -3.339 -7.476 1.00 0.00 C ATOM 835 SD MET A 53 -8.734 -3.863 -8.067 1.00 0.00 S ATOM 836 CE MET A 53 -9.786 -2.512 -7.453 1.00 0.00 C ATOM 0 H MET A 53 -6.641 -2.523 -3.775 1.00 0.00 H new ATOM 0 HA MET A 53 -5.079 -1.951 -6.071 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.739 -3.842 -5.446 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.029 -2.682 -5.691 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.763 -2.488 -8.072 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.383 -4.147 -7.657 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.542 -2.272 -8.200 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.274 -2.822 -6.529 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.173 -1.632 -7.261 1.00 0.00 H new ATOM 846 N CYS A 54 -7.489 0.200 -5.491 1.00 0.00 N ATOM 847 CA CYS A 54 -7.907 1.564 -5.793 1.00 0.00 C ATOM 848 C CYS A 54 -6.786 2.529 -5.425 1.00 0.00 C ATOM 849 O CYS A 54 -6.472 3.459 -6.168 1.00 0.00 O ATOM 850 CB CYS A 54 -9.172 1.880 -4.985 1.00 0.00 C ATOM 851 SG CYS A 54 -9.819 3.558 -5.202 1.00 0.00 S ATOM 0 H CYS A 54 -7.970 -0.203 -4.687 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.122 1.669 -6.856 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.949 1.168 -5.262 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.958 1.723 -3.928 1.00 0.00 H new ATOM 856 N LEU A 55 -6.196 2.346 -4.243 1.00 0.00 N ATOM 857 CA LEU A 55 -5.134 3.215 -3.763 1.00 0.00 C ATOM 858 C LEU A 55 -3.926 3.243 -4.691 1.00 0.00 C ATOM 859 O LEU A 55 -3.273 4.286 -4.768 1.00 0.00 O ATOM 860 CB LEU A 55 -4.684 2.803 -2.352 1.00 0.00 C ATOM 861 CG LEU A 55 -5.577 3.350 -1.234 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.200 2.694 0.095 1.00 0.00 C ATOM 863 CD2 LEU A 55 -5.383 4.858 -1.122 1.00 0.00 C ATOM 0 H LEU A 55 -6.443 1.595 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.555 4.220 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.665 1.715 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.663 3.149 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.619 3.129 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.837 3.086 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.336 1.615 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.158 2.913 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.018 5.248 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.340 5.075 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.652 5.331 -2.066 1.00 0.00 H new ATOM 875 N SER A 56 -3.646 2.158 -5.416 1.00 0.00 N ATOM 876 CA SER A 56 -2.465 2.057 -6.261 1.00 0.00 C ATOM 877 C SER A 56 -2.553 2.993 -7.482 1.00 0.00 C ATOM 878 O SER A 56 -1.605 3.127 -8.254 1.00 0.00 O ATOM 879 CB SER A 56 -2.211 0.577 -6.592 1.00 0.00 C ATOM 880 OG SER A 56 -3.137 0.020 -7.487 1.00 0.00 O ATOM 0 H SER A 56 -4.236 1.326 -5.430 1.00 0.00 H new ATOM 0 HA SER A 56 -1.585 2.415 -5.726 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.211 0.477 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.226 0.002 -5.666 1.00 0.00 H new ATOM 0 HG SER A 56 -4.045 0.158 -7.146 1.00 0.00 H new ATOM 886 N THR A 57 -3.666 3.722 -7.631 1.00 0.00 N ATOM 887 CA THR A 57 -3.863 4.715 -8.679 1.00 0.00 C ATOM 888 C THR A 57 -4.282 6.064 -8.066 1.00 0.00 C ATOM 889 O THR A 57 -4.831 6.915 -8.761 1.00 0.00 O ATOM 890 CB THR A 57 -4.736 4.107 -9.809 1.00 0.00 C ATOM 891 OG1 THR A 57 -5.145 5.051 -10.788 1.00 0.00 O ATOM 892 CG2 THR A 57 -6.011 3.414 -9.312 1.00 0.00 C ATOM 0 H THR A 57 -4.469 3.631 -7.009 1.00 0.00 H new ATOM 0 HA THR A 57 -2.938 4.976 -9.194 1.00 0.00 H new ATOM 0 HB THR A 57 -4.061 3.373 -10.249 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.221 5.937 -10.376 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.564 3.016 -10.163 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.744 2.599 -8.640 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.632 4.134 -8.779 1.00 0.00 H new ATOM 900 N LYS A 58 -4.035 6.296 -6.771 1.00 0.00 N ATOM 901 CA LYS A 58 -4.491 7.481 -6.031 1.00 0.00 C ATOM 902 C LYS A 58 -3.350 8.215 -5.330 1.00 0.00 C ATOM 903 O LYS A 58 -3.619 9.083 -4.497 1.00 0.00 O ATOM 904 CB LYS A 58 -5.552 7.040 -5.008 1.00 0.00 C ATOM 905 CG LYS A 58 -6.893 6.627 -5.629 1.00 0.00 C ATOM 906 CD LYS A 58 -7.909 7.754 -5.611 1.00 0.00 C ATOM 907 CE LYS A 58 -9.226 7.226 -6.185 1.00 0.00 C ATOM 908 NZ LYS A 58 -9.247 7.153 -7.664 1.00 0.00 N ATOM 0 H LYS A 58 -3.499 5.649 -6.193 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.915 8.186 -6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.158 6.203 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.725 7.856 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.730 6.304 -6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.294 5.771 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.057 8.115 -4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.550 8.598 -6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.416 6.233 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.041 7.868 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.066 6.591 -7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.318 8.113 -8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.372 6.704 -8.002 1.00 0.00 H new ATOM 922 N LEU A 59 -2.087 7.889 -5.605 1.00 0.00 N ATOM 923 CA LEU A 59 -0.946 8.365 -4.825 1.00 0.00 C ATOM 924 C LEU A 59 -0.828 9.892 -4.904 1.00 0.00 C ATOM 925 O LEU A 59 -0.329 10.517 -3.972 1.00 0.00 O ATOM 926 CB LEU A 59 0.369 7.741 -5.362 1.00 0.00 C ATOM 927 CG LEU A 59 0.322 6.313 -5.952 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.625 5.895 -6.649 1.00 0.00 C ATOM 929 CD2 LEU A 59 -0.004 5.271 -4.892 1.00 0.00 C ATOM 0 H LEU A 59 -1.826 7.282 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.106 8.067 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.760 8.405 -6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.092 7.739 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.472 6.353 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.520 4.883 -7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.834 6.580 -7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.446 5.925 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.027 4.282 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.758 5.293 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.977 5.491 -4.453 1.00 0.00 H new ATOM 941 N ASN A 60 -1.339 10.511 -5.973 1.00 0.00 N ATOM 942 CA ASN A 60 -1.429 11.962 -6.144 1.00 0.00 C ATOM 943 C ASN A 60 -2.202 12.649 -5.014 1.00 0.00 C ATOM 944 O ASN A 60 -1.938 13.813 -4.716 1.00 0.00 O ATOM 945 CB ASN A 60 -2.126 12.276 -7.478 1.00 0.00 C ATOM 946 CG ASN A 60 -3.540 11.700 -7.513 1.00 0.00 C ATOM 947 OD1 ASN A 60 -3.705 10.502 -7.715 1.00 0.00 O ATOM 948 ND2 ASN A 60 -4.566 12.491 -7.266 1.00 0.00 N ATOM 0 H ASN A 60 -1.714 9.996 -6.770 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.409 12.347 -6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.167 13.355 -7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.543 11.864 -8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.511 12.108 -7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.415 13.486 -7.100 1.00 0.00 H new ATOM 955 N MET A 61 -3.153 11.952 -4.387 1.00 0.00 N ATOM 956 CA MET A 61 -3.912 12.459 -3.250 1.00 0.00 C ATOM 957 C MET A 61 -3.031 12.502 -1.998 1.00 0.00 C ATOM 958 O MET A 61 -3.324 13.226 -1.042 1.00 0.00 O ATOM 959 CB MET A 61 -5.095 11.518 -2.975 1.00 0.00 C ATOM 960 CG MET A 61 -6.090 11.384 -4.135 1.00 0.00 C ATOM 961 SD MET A 61 -7.191 12.801 -4.376 1.00 0.00 S ATOM 962 CE MET A 61 -8.203 12.630 -2.884 1.00 0.00 C ATOM 0 H MET A 61 -3.418 11.006 -4.662 1.00 0.00 H new ATOM 0 HA MET A 61 -4.263 13.464 -3.484 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.706 10.529 -2.732 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.630 11.876 -2.095 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.530 11.219 -5.055 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.699 10.495 -3.969 1.00 0.00 H new ATOM 0 HE1 MET A 61 -9.082 13.269 -2.965 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.518 11.592 -2.775 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.619 12.926 -2.012 1.00 0.00 H new ATOM 972 N LEU A 62 -1.998 11.659 -1.962 1.00 0.00 N ATOM 973 CA LEU A 62 -1.277 11.239 -0.768 1.00 0.00 C ATOM 974 C LEU A 62 0.034 11.985 -0.669 1.00 0.00 C ATOM 975 O LEU A 62 0.414 12.378 0.432 1.00 0.00 O ATOM 976 CB LEU A 62 -1.024 9.717 -0.819 1.00 0.00 C ATOM 977 CG LEU A 62 -2.297 8.908 -1.099 1.00 0.00 C ATOM 978 CD1 LEU A 62 -2.126 7.408 -0.924 1.00 0.00 C ATOM 979 CD2 LEU A 62 -3.407 9.323 -0.149 1.00 0.00 C ATOM 0 H LEU A 62 -1.626 11.231 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.877 11.467 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.286 9.502 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.595 9.393 0.129 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.536 9.118 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.069 6.907 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.358 7.047 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.827 7.193 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.304 8.740 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.092 9.144 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.623 10.383 -0.283 1.00 0.00 H new ATOM 991 N ASP A 63 0.665 12.231 -1.812 1.00 0.00 N ATOM 992 CA ASP A 63 1.888 12.993 -1.943 1.00 0.00 C ATOM 993 C ASP A 63 1.645 14.157 -2.913 1.00 0.00 C ATOM 994 O ASP A 63 1.572 13.934 -4.124 1.00 0.00 O ATOM 995 CB ASP A 63 3.028 12.092 -2.413 1.00 0.00 C ATOM 996 CG ASP A 63 4.302 12.908 -2.600 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.369 14.089 -2.190 1.00 0.00 O ATOM 998 OD2 ASP A 63 5.281 12.346 -3.128 1.00 0.00 O ATOM 0 H ASP A 63 0.318 11.887 -2.707 1.00 0.00 H new ATOM 0 HA ASP A 63 2.181 13.401 -0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.199 11.300 -1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.756 11.609 -3.351 1.00 0.00 H new ATOM 1003 N PRO A 64 1.463 15.395 -2.419 1.00 0.00 N ATOM 1004 CA PRO A 64 1.262 16.564 -3.267 1.00 0.00 C ATOM 1005 C PRO A 64 2.530 16.959 -4.027 1.00 0.00 C ATOM 1006 O PRO A 64 2.445 17.572 -5.095 1.00 0.00 O ATOM 1007 CB PRO A 64 0.866 17.692 -2.314 1.00 0.00 C ATOM 1008 CG PRO A 64 1.445 17.283 -0.962 1.00 0.00 C ATOM 1009 CD PRO A 64 1.445 15.763 -1.014 1.00 0.00 C ATOM 0 HA PRO A 64 0.506 16.356 -4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.270 18.649 -2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.217 17.804 -2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.451 17.679 -0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.837 17.655 -0.137 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.314 15.358 -0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.562 15.359 -0.519 1.00 0.00 H new ATOM 1017 N GLU A 65 3.693 16.649 -3.463 1.00 0.00 N ATOM 1018 CA GLU A 65 5.015 16.913 -4.021 1.00 0.00 C ATOM 1019 C GLU A 65 5.358 15.910 -5.127 1.00 0.00 C ATOM 1020 O GLU A 65 6.352 16.087 -5.836 1.00 0.00 O ATOM 1021 CB GLU A 65 6.067 16.888 -2.904 1.00 0.00 C ATOM 1022 CG GLU A 65 5.707 17.895 -1.804 1.00 0.00 C ATOM 1023 CD GLU A 65 6.772 17.984 -0.720 1.00 0.00 C ATOM 1024 OE1 GLU A 65 7.734 18.765 -0.903 1.00 0.00 O ATOM 1025 OE2 GLU A 65 6.597 17.350 0.351 1.00 0.00 O ATOM 0 H GLU A 65 3.741 16.183 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 65 5.011 17.905 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.132 15.886 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.048 17.125 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.565 18.879 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.757 17.610 -1.352 1.00 0.00 H new ATOM 1032 N GLY A 66 4.530 14.874 -5.287 1.00 0.00 N ATOM 1033 CA GLY A 66 4.570 13.918 -6.378 1.00 0.00 C ATOM 1034 C GLY A 66 5.953 13.314 -6.550 1.00 0.00 C ATOM 1035 O GLY A 66 6.461 13.251 -7.659 1.00 0.00 O ATOM 0 H GLY A 66 3.781 14.677 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.847 13.124 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.271 14.410 -7.303 1.00 0.00 H new ATOM 1039 N ASN A 67 6.610 12.949 -5.456 1.00 0.00 N ATOM 1040 CA ASN A 67 7.782 12.085 -5.481 1.00 0.00 C ATOM 1041 C ASN A 67 7.303 10.651 -5.603 1.00 0.00 C ATOM 1042 O ASN A 67 7.939 9.838 -6.270 1.00 0.00 O ATOM 1043 CB ASN A 67 8.545 12.184 -4.148 1.00 0.00 C ATOM 1044 CG ASN A 67 9.357 13.445 -3.939 1.00 0.00 C ATOM 1045 OD1 ASN A 67 10.426 13.405 -3.340 1.00 0.00 O ATOM 1046 ND2 ASN A 67 8.857 14.602 -4.337 1.00 0.00 N ATOM 0 H ASN A 67 6.341 13.247 -4.518 1.00 0.00 H new ATOM 0 HA ASN A 67 8.426 12.382 -6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.826 12.100 -3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.215 11.328 -4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.361 15.468 -4.146 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.967 14.629 -4.835 1.00 0.00 H new ATOM 1053 N LEU A 68 6.201 10.309 -4.932 1.00 0.00 N ATOM 1054 CA LEU A 68 5.582 9.013 -5.095 1.00 0.00 C ATOM 1055 C LEU A 68 4.884 8.987 -6.453 1.00 0.00 C ATOM 1056 O LEU A 68 3.802 9.560 -6.625 1.00 0.00 O ATOM 1057 CB LEU A 68 4.645 8.704 -3.921 1.00 0.00 C ATOM 1058 CG LEU A 68 4.074 7.274 -3.984 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.124 6.185 -4.247 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.373 6.951 -2.664 1.00 0.00 C ATOM 0 H LEU A 68 5.725 10.922 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 68 6.330 8.220 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.186 8.835 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.823 9.420 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 68 3.386 7.265 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.638 5.210 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.614 6.375 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.867 6.196 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.968 5.940 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.089 7.022 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.562 7.660 -2.500 1.00 0.00 H new ATOM 1072 N HIS A 69 5.526 8.344 -7.423 1.00 0.00 N ATOM 1073 CA HIS A 69 4.942 8.002 -8.706 1.00 0.00 C ATOM 1074 C HIS A 69 4.872 6.484 -8.804 1.00 0.00 C ATOM 1075 O HIS A 69 5.603 5.757 -8.126 1.00 0.00 O ATOM 1076 CB HIS A 69 5.803 8.533 -9.853 1.00 0.00 C ATOM 1077 CG HIS A 69 5.972 10.030 -9.966 1.00 0.00 C ATOM 1078 ND1 HIS A 69 4.977 10.986 -9.976 1.00 0.00 N ATOM 1079 CD2 HIS A 69 7.161 10.675 -10.180 1.00 0.00 C ATOM 1080 CE1 HIS A 69 5.564 12.172 -10.218 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.885 12.025 -10.405 1.00 0.00 N ATOM 0 H HIS A 69 6.495 8.040 -7.331 1.00 0.00 H new ATOM 0 HA HIS A 69 3.950 8.448 -8.782 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.794 8.089 -9.762 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.376 8.172 -10.789 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.140 10.219 -10.176 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.042 13.117 -10.257 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.553 12.753 -10.660 1.00 0.00 H new ATOM 1089 N HIS A 70 4.013 6.028 -9.703 1.00 0.00 N ATOM 1090 CA HIS A 70 3.835 4.625 -10.031 1.00 0.00 C ATOM 1091 C HIS A 70 5.104 4.145 -10.737 1.00 0.00 C ATOM 1092 O HIS A 70 5.624 4.832 -11.622 1.00 0.00 O ATOM 1093 CB HIS A 70 2.557 4.461 -10.866 1.00 0.00 C ATOM 1094 CG HIS A 70 2.186 3.034 -11.170 1.00 0.00 C ATOM 1095 ND1 HIS A 70 2.728 2.247 -12.160 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.242 2.290 -10.514 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.138 1.043 -12.086 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.202 1.027 -11.120 1.00 0.00 N ATOM 0 H HIS A 70 3.403 6.644 -10.240 1.00 0.00 H new ATOM 0 HA HIS A 70 3.699 4.005 -9.145 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.729 4.933 -10.336 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.681 4.998 -11.806 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.638 2.617 -9.681 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.382 0.201 -12.717 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.586 0.251 -10.877 1.00 0.00 H new ATOM 1106 N GLY A 71 5.623 2.992 -10.322 1.00 0.00 N ATOM 1107 CA GLY A 71 6.837 2.367 -10.823 1.00 0.00 C ATOM 1108 C GLY A 71 8.077 3.236 -10.635 1.00 0.00 C ATOM 1109 O GLY A 71 9.038 3.077 -11.385 1.00 0.00 O ATOM 0 H GLY A 71 5.181 2.441 -9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.986 1.415 -10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.714 2.144 -11.883 1.00 0.00 H new ATOM 1113 N ASN A 72 8.060 4.215 -9.720 1.00 0.00 N ATOM 1114 CA ASN A 72 9.200 5.105 -9.522 1.00 0.00 C ATOM 1115 C ASN A 72 9.277 5.606 -8.078 1.00 0.00 C ATOM 1116 O ASN A 72 9.303 6.812 -7.826 1.00 0.00 O ATOM 1117 CB ASN A 72 9.145 6.286 -10.511 1.00 0.00 C ATOM 1118 CG ASN A 72 10.478 7.024 -10.553 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.510 6.533 -10.101 1.00 0.00 O ATOM 1120 ND2 ASN A 72 10.491 8.242 -11.047 1.00 0.00 N ATOM 0 H ASN A 72 7.267 4.406 -9.108 1.00 0.00 H new ATOM 0 HA ASN A 72 10.107 4.533 -9.719 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.896 5.920 -11.507 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.353 6.975 -10.217 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.358 8.780 -11.055 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.634 8.649 -11.422 1.00 0.00 H new ATOM 1127 N ALA A 73 9.255 4.706 -7.098 1.00 0.00 N ATOM 1128 CA ALA A 73 9.157 5.101 -5.698 1.00 0.00 C ATOM 1129 C ALA A 73 10.518 5.389 -5.047 1.00 0.00 C ATOM 1130 O ALA A 73 10.534 5.715 -3.864 1.00 0.00 O ATOM 1131 CB ALA A 73 8.419 4.011 -4.919 1.00 0.00 C ATOM 0 H ALA A 73 9.304 3.698 -7.249 1.00 0.00 H new ATOM 0 HA ALA A 73 8.602 6.039 -5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.343 4.301 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.419 3.881 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.968 3.073 -4.997 1.00 0.00 H new ATOM 1137 N MET A 74 11.659 5.290 -5.740 1.00 0.00 N ATOM 1138 CA MET A 74 12.955 5.145 -5.083 1.00 0.00 C ATOM 1139 C MET A 74 13.359 6.436 -4.380 1.00 0.00 C ATOM 1140 O MET A 74 13.986 6.390 -3.318 1.00 0.00 O ATOM 1141 CB MET A 74 14.032 4.719 -6.093 1.00 0.00 C ATOM 1142 CG MET A 74 14.015 3.212 -6.356 1.00 0.00 C ATOM 1143 SD MET A 74 15.528 2.599 -7.150 1.00 0.00 S ATOM 1144 CE MET A 74 15.097 0.839 -7.264 1.00 0.00 C ATOM 0 H MET A 74 11.706 5.308 -6.759 1.00 0.00 H new ATOM 0 HA MET A 74 12.864 4.364 -4.328 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.878 5.251 -7.032 1.00 0.00 H new ATOM 0 HB3 MET A 74 15.014 5.010 -5.719 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.872 2.688 -5.411 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.160 2.971 -6.987 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.917 0.293 -7.732 1.00 0.00 H new ATOM 0 HE2 MET A 74 14.921 0.442 -6.264 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.195 0.724 -7.865 1.00 0.00 H new ATOM 1154 N GLU A 75 12.992 7.585 -4.944 1.00 0.00 N ATOM 1155 CA GLU A 75 13.222 8.867 -4.285 1.00 0.00 C ATOM 1156 C GLU A 75 12.345 8.993 -3.037 1.00 0.00 C ATOM 1157 O GLU A 75 12.838 9.347 -1.969 1.00 0.00 O ATOM 1158 CB GLU A 75 12.978 10.042 -5.243 1.00 0.00 C ATOM 1159 CG GLU A 75 14.232 10.410 -6.051 1.00 0.00 C ATOM 1160 CD GLU A 75 14.213 11.867 -6.524 1.00 0.00 C ATOM 1161 OE1 GLU A 75 13.302 12.270 -7.279 1.00 0.00 O ATOM 1162 OE2 GLU A 75 15.156 12.623 -6.184 1.00 0.00 O ATOM 0 H GLU A 75 12.535 7.654 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 75 14.268 8.903 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.170 9.787 -5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.649 10.910 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.118 10.241 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.311 9.751 -6.916 1.00 0.00 H new ATOM 1169 N PHE A 76 11.057 8.661 -3.139 1.00 0.00 N ATOM 1170 CA PHE A 76 10.143 8.648 -2.009 1.00 0.00 C ATOM 1171 C PHE A 76 10.661 7.699 -0.924 1.00 0.00 C ATOM 1172 O PHE A 76 10.629 8.056 0.253 1.00 0.00 O ATOM 1173 CB PHE A 76 8.748 8.285 -2.549 1.00 0.00 C ATOM 1174 CG PHE A 76 7.756 7.820 -1.512 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.135 8.762 -0.680 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.482 6.449 -1.355 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.257 8.329 0.328 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.571 6.019 -0.372 1.00 0.00 C ATOM 1179 CZ PHE A 76 5.974 6.960 0.482 1.00 0.00 C ATOM 0 H PHE A 76 10.620 8.392 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 76 10.073 9.622 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.335 9.156 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.859 7.501 -3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.331 9.816 -0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.972 5.725 -1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.798 9.051 0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.332 4.970 -0.275 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.297 6.632 1.257 1.00 0.00 H new ATOM 1189 N ALA A 77 11.167 6.521 -1.291 1.00 0.00 N ATOM 1190 CA ALA A 77 11.738 5.533 -0.386 1.00 0.00 C ATOM 1191 C ALA A 77 12.940 6.114 0.372 1.00 0.00 C ATOM 1192 O ALA A 77 13.014 5.997 1.601 1.00 0.00 O ATOM 1193 CB ALA A 77 12.083 4.275 -1.196 1.00 0.00 C ATOM 0 H ALA A 77 11.189 6.221 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 77 11.016 5.255 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.512 3.523 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.178 3.879 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.804 4.529 -1.973 1.00 0.00 H new ATOM 1199 N LYS A 78 13.838 6.835 -0.316 1.00 0.00 N ATOM 1200 CA LYS A 78 14.952 7.528 0.335 1.00 0.00 C ATOM 1201 C LYS A 78 14.489 8.443 1.457 1.00 0.00 C ATOM 1202 O LYS A 78 15.183 8.531 2.473 1.00 0.00 O ATOM 1203 CB LYS A 78 15.787 8.298 -0.699 1.00 0.00 C ATOM 1204 CG LYS A 78 16.948 7.434 -1.184 1.00 0.00 C ATOM 1205 CD LYS A 78 17.662 8.064 -2.383 1.00 0.00 C ATOM 1206 CE LYS A 78 18.799 7.145 -2.838 1.00 0.00 C ATOM 1207 NZ LYS A 78 20.035 7.343 -2.060 1.00 0.00 N ATOM 0 H LYS A 78 13.811 6.952 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 78 15.582 6.766 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.160 8.585 -1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.168 9.219 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.660 7.291 -0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.577 6.447 -1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.957 8.220 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.057 9.043 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.480 6.107 -2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.006 7.324 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.772 6.697 -2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 20.358 8.326 -2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.849 7.146 -1.056 1.00 0.00 H new ATOM 1221 N LYS A 79 13.316 9.071 1.334 1.00 0.00 N ATOM 1222 CA LYS A 79 12.824 9.986 2.362 1.00 0.00 C ATOM 1223 C LYS A 79 12.525 9.305 3.683 1.00 0.00 C ATOM 1224 O LYS A 79 12.471 10.005 4.695 1.00 0.00 O ATOM 1225 CB LYS A 79 11.601 10.778 1.897 1.00 0.00 C ATOM 1226 CG LYS A 79 11.962 11.545 0.613 1.00 0.00 C ATOM 1227 CD LYS A 79 11.143 12.800 0.302 1.00 0.00 C ATOM 1228 CE LYS A 79 9.677 12.546 -0.062 1.00 0.00 C ATOM 1229 NZ LYS A 79 8.729 12.909 1.015 1.00 0.00 N ATOM 0 H LYS A 79 12.693 8.961 0.534 1.00 0.00 H new ATOM 0 HA LYS A 79 13.647 10.681 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.764 10.105 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.284 11.473 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.012 11.832 0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.866 10.860 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.177 13.461 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.619 13.331 -0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.430 13.114 -0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.549 11.492 -0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.757 12.712 0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.939 12.349 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.824 13.921 1.234 1.00 0.00 H new ATOM 1243 N HIS A 80 12.349 7.986 3.711 1.00 0.00 N ATOM 1244 CA HIS A 80 12.177 7.260 4.966 1.00 0.00 C ATOM 1245 C HIS A 80 13.416 6.442 5.337 1.00 0.00 C ATOM 1246 O HIS A 80 13.502 5.942 6.461 1.00 0.00 O ATOM 1247 CB HIS A 80 10.870 6.481 4.927 1.00 0.00 C ATOM 1248 CG HIS A 80 9.665 7.364 4.669 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.640 7.065 3.810 1.00 0.00 N ATOM 1250 CD2 HIS A 80 9.477 8.664 5.069 1.00 0.00 C ATOM 1251 CE1 HIS A 80 7.863 8.148 3.693 1.00 0.00 C ATOM 1252 NE2 HIS A 80 8.302 9.137 4.484 1.00 0.00 N ATOM 0 H HIS A 80 12.322 7.398 2.878 1.00 0.00 H new ATOM 0 HA HIS A 80 12.089 7.966 5.792 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.930 5.720 4.149 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.736 5.959 5.874 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.127 9.224 5.724 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.999 8.216 3.048 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.867 10.048 4.629 1.00 0.00 H new ATOM 1260 N GLY A 81 14.428 6.427 4.463 1.00 0.00 N ATOM 1261 CA GLY A 81 15.742 5.845 4.717 1.00 0.00 C ATOM 1262 C GLY A 81 16.074 4.621 3.873 1.00 0.00 C ATOM 1263 O GLY A 81 17.137 4.024 4.059 1.00 0.00 O ATOM 0 H GLY A 81 14.348 6.834 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.501 6.607 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 81 15.805 5.570 5.770 1.00 0.00 H new ATOM 1267 N ALA A 82 15.218 4.274 2.919 1.00 0.00 N ATOM 1268 CA ALA A 82 15.441 3.155 2.012 1.00 0.00 C ATOM 1269 C ALA A 82 16.331 3.618 0.857 1.00 0.00 C ATOM 1270 O ALA A 82 15.952 4.496 0.085 1.00 0.00 O ATOM 1271 CB ALA A 82 14.103 2.592 1.526 1.00 0.00 C ATOM 0 H ALA A 82 14.341 4.767 2.752 1.00 0.00 H new ATOM 0 HA ALA A 82 15.954 2.345 2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.284 1.757 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.521 2.247 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.550 3.371 1.001 1.00 0.00 H new ATOM 1277 N ASP A 83 17.544 3.074 0.758 1.00 0.00 N ATOM 1278 CA ASP A 83 18.395 3.180 -0.426 1.00 0.00 C ATOM 1279 C ASP A 83 17.780 2.443 -1.618 1.00 0.00 C ATOM 1280 O ASP A 83 16.682 1.891 -1.542 1.00 0.00 O ATOM 1281 CB ASP A 83 19.815 2.666 -0.141 1.00 0.00 C ATOM 1282 CG ASP A 83 19.876 1.359 0.638 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.573 0.288 0.067 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.232 1.451 1.836 1.00 0.00 O ATOM 0 H ASP A 83 17.970 2.537 1.513 1.00 0.00 H new ATOM 0 HA ASP A 83 18.466 4.237 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.335 2.532 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.358 3.430 0.415 1.00 0.00 H new ATOM 1289 N GLU A 84 18.485 2.470 -2.751 1.00 0.00 N ATOM 1290 CA GLU A 84 18.087 1.819 -3.986 1.00 0.00 C ATOM 1291 C GLU A 84 17.890 0.331 -3.717 1.00 0.00 C ATOM 1292 O GLU A 84 16.902 -0.222 -4.175 1.00 0.00 O ATOM 1293 CB GLU A 84 19.149 2.118 -5.067 1.00 0.00 C ATOM 1294 CG GLU A 84 19.563 0.915 -5.928 1.00 0.00 C ATOM 1295 CD GLU A 84 20.743 1.163 -6.869 1.00 0.00 C ATOM 1296 OE1 GLU A 84 21.465 2.179 -6.763 1.00 0.00 O ATOM 1297 OE2 GLU A 84 21.027 0.281 -7.715 1.00 0.00 O ATOM 0 H GLU A 84 19.375 2.962 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 84 17.137 2.200 -4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.766 2.899 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.038 2.518 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.814 0.085 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.705 0.601 -6.522 1.00 0.00 H new ATOM 1304 N THR A 85 18.797 -0.314 -2.975 1.00 0.00 N ATOM 1305 CA THR A 85 18.702 -1.745 -2.735 1.00 0.00 C ATOM 1306 C THR A 85 17.478 -2.030 -1.874 1.00 0.00 C ATOM 1307 O THR A 85 16.727 -2.945 -2.186 1.00 0.00 O ATOM 1308 CB THR A 85 19.989 -2.258 -2.076 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.089 -2.087 -2.957 1.00 0.00 O ATOM 1310 CG2 THR A 85 19.863 -3.729 -1.657 1.00 0.00 C ATOM 0 H THR A 85 19.599 0.136 -2.535 1.00 0.00 H new ATOM 0 HA THR A 85 18.587 -2.273 -3.682 1.00 0.00 H new ATOM 0 HB THR A 85 20.159 -1.672 -1.173 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.906 -2.416 -2.527 1.00 0.00 H new ATOM 0 HG21 THR A 85 20.794 -4.057 -1.194 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.046 -3.835 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.659 -4.341 -2.535 1.00 0.00 H new ATOM 1318 N MET A 86 17.257 -1.262 -0.810 1.00 0.00 N ATOM 1319 CA MET A 86 16.134 -1.459 0.082 1.00 0.00 C ATOM 1320 C MET A 86 14.807 -1.291 -0.650 1.00 0.00 C ATOM 1321 O MET A 86 13.893 -2.065 -0.385 1.00 0.00 O ATOM 1322 CB MET A 86 16.268 -0.435 1.213 1.00 0.00 C ATOM 1323 CG MET A 86 17.260 -0.845 2.301 1.00 0.00 C ATOM 1324 SD MET A 86 17.388 0.400 3.612 1.00 0.00 S ATOM 1325 CE MET A 86 18.974 -0.045 4.352 1.00 0.00 C ATOM 0 H MET A 86 17.860 -0.482 -0.547 1.00 0.00 H new ATOM 0 HA MET A 86 16.142 -2.474 0.479 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.580 0.520 0.791 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.289 -0.278 1.667 1.00 0.00 H new ATOM 0 HG2 MET A 86 16.950 -1.796 2.734 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.242 -1.003 1.855 1.00 0.00 H new ATOM 0 HE1 MET A 86 18.833 -0.266 5.410 1.00 0.00 H new ATOM 0 HE2 MET A 86 19.377 -0.924 3.848 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.671 0.786 4.245 1.00 0.00 H new ATOM 1335 N ALA A 87 14.697 -0.340 -1.576 1.00 0.00 N ATOM 1336 CA ALA A 87 13.515 -0.268 -2.424 1.00 0.00 C ATOM 1337 C ALA A 87 13.481 -1.479 -3.355 1.00 0.00 C ATOM 1338 O ALA A 87 12.511 -2.230 -3.357 1.00 0.00 O ATOM 1339 CB ALA A 87 13.511 1.058 -3.190 1.00 0.00 C ATOM 0 H ALA A 87 15.399 0.378 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 87 12.610 -0.295 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.626 1.109 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.499 1.887 -2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.405 1.123 -3.810 1.00 0.00 H new ATOM 1345 N GLN A 88 14.548 -1.707 -4.125 1.00 0.00 N ATOM 1346 CA GLN A 88 14.600 -2.728 -5.163 1.00 0.00 C ATOM 1347 C GLN A 88 14.258 -4.114 -4.616 1.00 0.00 C ATOM 1348 O GLN A 88 13.618 -4.895 -5.317 1.00 0.00 O ATOM 1349 CB GLN A 88 15.989 -2.732 -5.828 1.00 0.00 C ATOM 1350 CG GLN A 88 16.116 -3.638 -7.063 1.00 0.00 C ATOM 1351 CD GLN A 88 15.344 -3.107 -8.264 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.932 -2.551 -9.186 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.031 -3.264 -8.287 1.00 0.00 N ATOM 0 H GLN A 88 15.414 -1.175 -4.039 1.00 0.00 H new ATOM 0 HA GLN A 88 13.846 -2.484 -5.912 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.239 -1.711 -6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.728 -3.044 -5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.168 -3.738 -7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.753 -4.636 -6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.559 -3.729 -7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.490 -2.920 -9.081 1.00 0.00 H new ATOM 1362 N GLN A 89 14.658 -4.397 -3.375 1.00 0.00 N ATOM 1363 CA GLN A 89 14.315 -5.586 -2.619 1.00 0.00 C ATOM 1364 C GLN A 89 12.809 -5.787 -2.579 1.00 0.00 C ATOM 1365 O GLN A 89 12.334 -6.895 -2.825 1.00 0.00 O ATOM 1366 CB GLN A 89 14.873 -5.420 -1.195 1.00 0.00 C ATOM 1367 CG GLN A 89 16.347 -5.812 -1.123 1.00 0.00 C ATOM 1368 CD GLN A 89 16.596 -7.311 -1.075 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.722 -8.153 -1.255 1.00 0.00 O ATOM 1370 NE2 GLN A 89 17.828 -7.684 -0.797 1.00 0.00 N ATOM 0 H GLN A 89 15.262 -3.765 -2.849 1.00 0.00 H new ATOM 0 HA GLN A 89 14.748 -6.466 -3.095 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.755 -4.385 -0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.297 -6.035 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.863 -5.398 -1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.790 -5.354 -0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.552 -6.981 -0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.058 -8.676 -0.731 1.00 0.00 H new ATOM 1379 N LEU A 90 12.071 -4.738 -2.227 1.00 0.00 N ATOM 1380 CA LEU A 90 10.631 -4.798 -2.068 1.00 0.00 C ATOM 1381 C LEU A 90 9.947 -4.840 -3.428 1.00 0.00 C ATOM 1382 O LEU A 90 9.022 -5.629 -3.584 1.00 0.00 O ATOM 1383 CB LEU A 90 10.158 -3.592 -1.244 1.00 0.00 C ATOM 1384 CG LEU A 90 10.796 -3.501 0.158 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.471 -2.146 0.787 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.387 -4.630 1.121 1.00 0.00 C ATOM 0 H LEU A 90 12.465 -3.815 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 90 10.362 -5.710 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.383 -2.678 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.074 -3.641 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 90 11.869 -3.614 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.924 -2.086 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.867 -1.349 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.390 -2.036 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.882 -4.486 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.306 -4.613 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.682 -5.591 0.701 1.00 0.00 H new ATOM 1398 N ILE A 91 10.435 -4.071 -4.400 1.00 0.00 N ATOM 1399 CA ILE A 91 9.938 -4.062 -5.774 1.00 0.00 C ATOM 1400 C ILE A 91 10.019 -5.474 -6.370 1.00 0.00 C ATOM 1401 O ILE A 91 9.058 -5.970 -6.959 1.00 0.00 O ATOM 1402 CB ILE A 91 10.741 -3.001 -6.565 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.263 -1.574 -6.208 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.702 -3.205 -8.089 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.388 -0.543 -6.156 1.00 0.00 C ATOM 0 H ILE A 91 11.206 -3.421 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 91 8.885 -3.784 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 91 11.780 -3.128 -6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.523 -1.254 -6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.762 -1.600 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.286 -2.424 -8.576 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.122 -4.180 -8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.670 -3.156 -8.436 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.976 0.433 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.117 -0.838 -5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.875 -0.487 -7.129 1.00 0.00 H new ATOM 1417 N ASP A 92 11.156 -6.163 -6.202 1.00 0.00 N ATOM 1418 CA ASP A 92 11.300 -7.519 -6.736 1.00 0.00 C ATOM 1419 C ASP A 92 10.267 -8.425 -6.110 1.00 0.00 C ATOM 1420 O ASP A 92 9.622 -9.203 -6.800 1.00 0.00 O ATOM 1421 CB ASP A 92 12.673 -8.128 -6.437 1.00 0.00 C ATOM 1422 CG ASP A 92 13.066 -9.213 -7.457 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.218 -9.703 -8.241 1.00 0.00 O ATOM 1424 OD2 ASP A 92 14.251 -9.616 -7.486 1.00 0.00 O ATOM 0 H ASP A 92 11.976 -5.809 -5.709 1.00 0.00 H new ATOM 0 HA ASP A 92 11.174 -7.439 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.426 -7.340 -6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.667 -8.559 -5.436 1.00 0.00 H new ATOM 1429 N ILE A 93 10.128 -8.316 -4.792 1.00 0.00 N ATOM 1430 CA ILE A 93 9.150 -9.045 -4.002 1.00 0.00 C ATOM 1431 C ILE A 93 7.709 -8.773 -4.427 1.00 0.00 C ATOM 1432 O ILE A 93 6.948 -9.733 -4.437 1.00 0.00 O ATOM 1433 CB ILE A 93 9.396 -8.784 -2.504 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.711 -9.532 -2.177 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.235 -9.263 -1.627 1.00 0.00 C ATOM 1436 CD1 ILE A 93 11.228 -9.404 -0.745 1.00 0.00 C ATOM 0 H ILE A 93 10.713 -7.698 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 93 9.289 -10.109 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 93 9.471 -7.717 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.565 -10.590 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.486 -9.172 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.460 -9.055 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.323 -8.740 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.095 -10.336 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.153 -9.971 -0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.418 -8.355 -0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.482 -9.795 -0.053 1.00 0.00 H new ATOM 1448 N VAL A 94 7.308 -7.545 -4.755 1.00 0.00 N ATOM 1449 CA VAL A 94 5.962 -7.275 -5.273 1.00 0.00 C ATOM 1450 C VAL A 94 5.700 -8.211 -6.455 1.00 0.00 C ATOM 1451 O VAL A 94 4.776 -9.028 -6.409 1.00 0.00 O ATOM 1452 CB VAL A 94 5.782 -5.776 -5.617 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.544 -5.484 -6.486 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.648 -4.963 -4.324 1.00 0.00 C ATOM 0 H VAL A 94 7.897 -6.717 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 94 5.212 -7.480 -4.509 1.00 0.00 H new ATOM 0 HB VAL A 94 6.666 -5.493 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.484 -4.414 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.625 -6.025 -7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.646 -5.806 -5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.521 -3.908 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.781 -5.312 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.546 -5.090 -3.720 1.00 0.00 H new ATOM 1464 N HIS A 95 6.563 -8.170 -7.469 1.00 0.00 N ATOM 1465 CA HIS A 95 6.389 -8.973 -8.670 1.00 0.00 C ATOM 1466 C HIS A 95 6.606 -10.456 -8.340 1.00 0.00 C ATOM 1467 O HIS A 95 5.918 -11.346 -8.830 1.00 0.00 O ATOM 1468 CB HIS A 95 7.399 -8.478 -9.706 1.00 0.00 C ATOM 1469 CG HIS A 95 7.376 -6.987 -9.955 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.495 -6.225 -10.190 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.310 -6.127 -9.834 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.108 -4.943 -10.228 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.779 -4.832 -10.087 1.00 0.00 N ATOM 0 H HIS A 95 7.396 -7.582 -7.478 1.00 0.00 H new ATOM 0 HA HIS A 95 5.379 -8.873 -9.068 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.400 -8.762 -9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.212 -8.992 -10.649 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.295 -6.401 -9.588 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.780 -4.107 -10.356 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.223 -3.979 -10.151 1.00 0.00 H new ATOM 1481 N GLY A 96 7.550 -10.734 -7.446 1.00 0.00 N ATOM 1482 CA GLY A 96 7.888 -12.037 -6.892 1.00 0.00 C ATOM 1483 C GLY A 96 6.726 -12.668 -6.141 1.00 0.00 C ATOM 1484 O GLY A 96 6.704 -13.889 -5.966 1.00 0.00 O ATOM 0 H GLY A 96 8.142 -9.997 -7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.200 -12.701 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.738 -11.933 -6.218 1.00 0.00 H new ATOM 1488 N CYS A 97 5.759 -11.852 -5.733 1.00 0.00 N ATOM 1489 CA CYS A 97 4.563 -12.249 -5.039 1.00 0.00 C ATOM 1490 C CYS A 97 3.423 -12.404 -6.017 1.00 0.00 C ATOM 1491 O CYS A 97 2.665 -13.366 -5.866 1.00 0.00 O ATOM 1492 CB CYS A 97 4.227 -11.265 -3.919 1.00 0.00 C ATOM 1493 SG CYS A 97 5.084 -11.642 -2.371 1.00 0.00 S ATOM 0 H CYS A 97 5.802 -10.845 -5.891 1.00 0.00 H new ATOM 0 HA CYS A 97 4.733 -13.217 -4.568 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.490 -10.256 -4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.151 -11.274 -3.745 1.00 0.00 H new ATOM 1498 N GLU A 98 3.342 -11.563 -7.051 1.00 0.00 N ATOM 1499 CA GLU A 98 2.468 -11.827 -8.176 1.00 0.00 C ATOM 1500 C GLU A 98 2.769 -13.224 -8.727 1.00 0.00 C ATOM 1501 O GLU A 98 1.849 -13.982 -9.015 1.00 0.00 O ATOM 1502 CB GLU A 98 2.653 -10.849 -9.324 1.00 0.00 C ATOM 1503 CG GLU A 98 2.341 -9.397 -9.006 1.00 0.00 C ATOM 1504 CD GLU A 98 2.574 -8.564 -10.275 1.00 0.00 C ATOM 1505 OE1 GLU A 98 2.074 -8.970 -11.355 1.00 0.00 O ATOM 1506 OE2 GLU A 98 3.309 -7.559 -10.219 1.00 0.00 O ATOM 0 H GLU A 98 3.874 -10.696 -7.124 1.00 0.00 H new ATOM 0 HA GLU A 98 1.449 -11.732 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.685 -10.913 -9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.019 -11.165 -10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.309 -9.295 -8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.977 -9.041 -8.196 1.00 0.00 H new ATOM 1513 N LYS A 99 4.057 -13.588 -8.833 1.00 0.00 N ATOM 1514 CA LYS A 99 4.489 -14.873 -9.383 1.00 0.00 C ATOM 1515 C LYS A 99 3.905 -16.040 -8.587 1.00 0.00 C ATOM 1516 O LYS A 99 3.528 -17.052 -9.187 1.00 0.00 O ATOM 1517 CB LYS A 99 6.025 -14.918 -9.446 1.00 0.00 C ATOM 1518 CG LYS A 99 6.545 -14.183 -10.699 1.00 0.00 C ATOM 1519 CD LYS A 99 7.884 -13.468 -10.505 1.00 0.00 C ATOM 1520 CE LYS A 99 9.000 -14.423 -10.071 1.00 0.00 C ATOM 1521 NZ LYS A 99 10.280 -13.734 -9.788 1.00 0.00 N ATOM 0 H LYS A 99 4.829 -12.992 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 99 4.107 -14.975 -10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.444 -14.459 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.362 -15.954 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.646 -14.903 -11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.799 -13.452 -11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.170 -12.979 -11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.769 -12.684 -9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.681 -14.963 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.159 -15.165 -10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.994 -14.433 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.605 -13.240 -10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.141 -13.045 -9.022 1.00 0.00 H new ATOM 1535 N SER A 100 3.800 -15.921 -7.262 1.00 0.00 N ATOM 1536 CA SER A 100 3.156 -16.920 -6.419 1.00 0.00 C ATOM 1537 C SER A 100 1.629 -16.761 -6.331 1.00 0.00 C ATOM 1538 O SER A 100 0.971 -17.664 -5.812 1.00 0.00 O ATOM 1539 CB SER A 100 3.807 -16.916 -5.034 1.00 0.00 C ATOM 1540 OG SER A 100 4.051 -15.617 -4.526 1.00 0.00 O ATOM 0 H SER A 100 4.163 -15.121 -6.744 1.00 0.00 H new ATOM 0 HA SER A 100 3.310 -17.891 -6.890 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.164 -17.454 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.750 -17.461 -5.083 1.00 0.00 H new ATOM 0 HG SER A 100 3.427 -14.983 -4.937 1.00 0.00 H new ATOM 1546 N THR A 101 1.056 -15.646 -6.794 1.00 0.00 N ATOM 1547 CA THR A 101 -0.368 -15.346 -6.659 1.00 0.00 C ATOM 1548 C THR A 101 -1.082 -15.710 -7.972 1.00 0.00 C ATOM 1549 O THR A 101 -0.847 -15.059 -8.995 1.00 0.00 O ATOM 1550 CB THR A 101 -0.586 -13.875 -6.271 1.00 0.00 C ATOM 1551 OG1 THR A 101 0.160 -13.549 -5.118 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.045 -13.613 -5.916 1.00 0.00 C ATOM 0 H THR A 101 1.578 -14.917 -7.280 1.00 0.00 H new ATOM 0 HA THR A 101 -0.795 -15.944 -5.854 1.00 0.00 H new ATOM 0 HB THR A 101 -0.277 -13.278 -7.129 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.028 -13.179 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.171 -12.565 -5.645 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.676 -13.844 -6.774 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.333 -14.242 -5.074 1.00 0.00 H new ATOM 1560 N PRO A 102 -1.936 -16.747 -7.985 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.564 -17.237 -9.204 1.00 0.00 C ATOM 1562 C PRO A 102 -3.547 -16.190 -9.738 1.00 0.00 C ATOM 1563 O PRO A 102 -4.094 -15.405 -8.958 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.223 -18.556 -8.799 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.578 -18.337 -7.330 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.440 -17.458 -6.823 1.00 0.00 C ATOM 0 HA PRO A 102 -1.866 -17.408 -10.024 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.108 -18.764 -9.400 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.545 -19.400 -8.927 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.545 -17.847 -7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.633 -19.279 -6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.794 -16.762 -6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.656 -18.060 -6.364 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.730 -16.135 -11.058 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.466 -15.077 -11.745 1.00 0.00 C ATOM 1576 C ALA A 103 -5.966 -15.139 -11.424 1.00 0.00 C ATOM 1577 O ALA A 103 -6.737 -15.831 -12.095 1.00 0.00 O ATOM 1578 CB ALA A 103 -4.181 -15.156 -13.247 1.00 0.00 C ATOM 0 H ALA A 103 -3.361 -16.843 -11.693 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.125 -14.106 -11.386 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.729 -14.368 -13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.113 -15.030 -13.422 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.498 -16.127 -13.627 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.364 -14.427 -10.373 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.687 -14.514 -9.778 1.00 0.00 C ATOM 1586 C ASN A 104 -8.716 -13.741 -10.581 1.00 0.00 C ATOM 1587 O ASN A 104 -8.496 -12.591 -10.964 1.00 0.00 O ATOM 1588 CB ASN A 104 -7.657 -13.991 -8.340 1.00 0.00 C ATOM 1589 CG ASN A 104 -8.748 -14.563 -7.477 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -9.933 -14.336 -7.682 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -8.364 -15.319 -6.474 1.00 0.00 N ATOM 0 H ASN A 104 -5.756 -13.757 -9.902 1.00 0.00 H new ATOM 0 HA ASN A 104 -7.977 -15.565 -9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.690 -14.226 -7.895 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.746 -12.905 -8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.058 -15.729 -5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.371 -15.496 -6.320 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.880 -14.358 -10.742 1.00 0.00 N ATOM 1599 CA ASP A 105 -11.097 -13.804 -11.307 1.00 0.00 C ATOM 1600 C ASP A 105 -11.601 -12.576 -10.546 1.00 0.00 C ATOM 1601 O ASP A 105 -12.396 -11.801 -11.074 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.133 -14.917 -11.248 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.525 -14.545 -11.741 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -13.693 -13.968 -12.842 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.474 -14.901 -11.006 1.00 0.00 O ATOM 0 H ASP A 105 -10.004 -15.330 -10.459 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.908 -13.463 -12.325 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.770 -15.758 -11.838 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.212 -15.262 -10.217 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.118 -12.338 -9.326 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.314 -11.080 -8.611 1.00 0.00 C ATOM 1612 C ASP A 106 -9.967 -10.365 -8.540 1.00 0.00 C ATOM 1613 O ASP A 106 -9.053 -10.830 -7.851 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.847 -11.313 -7.193 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.585 -10.086 -6.647 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.097 -8.960 -6.906 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.594 -10.241 -5.924 1.00 0.00 O ATOM 0 H ASP A 106 -10.573 -13.023 -8.802 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.052 -10.479 -9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.521 -12.170 -7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.018 -11.562 -6.531 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.801 -9.245 -9.245 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.589 -8.451 -9.189 1.00 0.00 C ATOM 1624 C LYS A 107 -8.314 -7.981 -7.774 1.00 0.00 C ATOM 1625 O LYS A 107 -7.150 -7.894 -7.391 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.697 -7.261 -10.163 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.356 -7.059 -10.863 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.199 -8.148 -11.930 1.00 0.00 C ATOM 1629 CE LYS A 107 -7.514 -7.593 -13.316 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.372 -6.879 -13.926 1.00 0.00 N ATOM 0 H LYS A 107 -10.512 -8.868 -9.872 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.747 -9.072 -9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.480 -7.448 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.977 -6.357 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.312 -6.071 -11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.540 -7.113 -10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.181 -8.538 -11.912 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.864 -8.982 -11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.814 -8.412 -13.970 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.364 -6.914 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.645 -6.525 -14.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.099 -6.079 -13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.567 -7.530 -14.023 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.353 -7.761 -6.971 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.165 -7.417 -5.577 1.00 0.00 C ATOM 1646 C CYS A 108 -8.542 -8.586 -4.809 1.00 0.00 C ATOM 1647 O CYS A 108 -7.606 -8.382 -4.039 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.490 -7.032 -4.943 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.356 -5.618 -5.654 1.00 0.00 S ATOM 0 H CYS A 108 -10.328 -7.816 -7.267 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.486 -6.565 -5.527 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.153 -7.896 -4.992 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.314 -6.826 -3.887 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.047 -9.813 -4.986 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.531 -10.988 -4.286 1.00 0.00 C ATOM 1656 C ILE A 109 -7.099 -11.299 -4.743 1.00 0.00 C ATOM 1657 O ILE A 109 -6.252 -11.624 -3.908 1.00 0.00 O ATOM 1658 CB ILE A 109 -9.518 -12.178 -4.409 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -10.851 -11.769 -3.743 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -8.928 -13.425 -3.738 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -11.935 -12.842 -3.775 1.00 0.00 C ATOM 0 H ILE A 109 -9.822 -10.015 -5.617 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.461 -10.781 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.693 -12.420 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.655 -11.500 -2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.229 -10.875 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.629 -14.254 -3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -7.988 -13.689 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -8.747 -13.219 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -12.833 -12.466 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.165 -13.096 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.582 -13.731 -3.253 1.00 0.00 H new ATOM 1673 N TRP A 110 -6.805 -11.166 -6.037 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.436 -11.183 -6.552 1.00 0.00 C ATOM 1675 C TRP A 110 -4.571 -10.176 -5.780 1.00 0.00 C ATOM 1676 O TRP A 110 -3.634 -10.576 -5.091 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.418 -10.919 -8.066 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.055 -10.971 -8.681 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.395 -12.108 -8.986 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.153 -9.878 -9.038 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.139 -11.808 -9.470 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -1.942 -10.444 -9.539 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.222 -8.469 -8.960 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -0.862 -9.655 -9.953 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.138 -7.665 -9.362 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -0.967 -8.254 -9.871 1.00 0.00 C ATOM 0 H TRP A 110 -7.513 -11.043 -6.760 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.010 -12.174 -6.398 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.055 -11.653 -8.559 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -5.854 -9.939 -8.258 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.792 -13.106 -8.868 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.445 -12.504 -9.742 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.121 -8.001 -8.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 0.039 -10.115 -10.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.206 -6.590 -9.279 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.148 -7.631 -10.199 1.00 0.00 H new ATOM 1697 N THR A 111 -4.922 -8.891 -5.839 1.00 0.00 N ATOM 1698 CA THR A 111 -4.222 -7.778 -5.204 1.00 0.00 C ATOM 1699 C THR A 111 -3.974 -8.054 -3.714 1.00 0.00 C ATOM 1700 O THR A 111 -2.885 -7.769 -3.201 1.00 0.00 O ATOM 1701 CB THR A 111 -5.043 -6.499 -5.485 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.093 -6.311 -6.879 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.541 -5.189 -4.872 1.00 0.00 C ATOM 0 H THR A 111 -5.745 -8.584 -6.358 1.00 0.00 H new ATOM 0 HA THR A 111 -3.224 -7.643 -5.620 1.00 0.00 H new ATOM 0 HB THR A 111 -6.005 -6.688 -5.008 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.962 -6.611 -7.219 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.212 -4.376 -5.151 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.515 -5.282 -3.786 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.538 -4.975 -5.242 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.948 -8.619 -2.991 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.842 -8.919 -1.576 1.00 0.00 C ATOM 1713 C LEU A 112 -3.853 -10.060 -1.362 1.00 0.00 C ATOM 1714 O LEU A 112 -3.039 -9.983 -0.443 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.261 -9.207 -1.069 1.00 0.00 C ATOM 1716 CG LEU A 112 -6.452 -9.374 0.445 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -6.142 -10.806 0.847 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -5.685 -8.359 1.298 1.00 0.00 C ATOM 0 H LEU A 112 -5.848 -8.883 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.442 -8.085 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.908 -8.396 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.614 -10.117 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.500 -9.158 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.279 -10.920 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.814 -11.485 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.110 -11.042 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.878 -8.551 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.617 -8.452 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.014 -7.351 1.047 1.00 0.00 H new ATOM 1730 N GLY A 113 -3.876 -11.083 -2.221 1.00 0.00 N ATOM 1731 CA GLY A 113 -2.887 -12.152 -2.265 1.00 0.00 C ATOM 1732 C GLY A 113 -1.479 -11.569 -2.333 1.00 0.00 C ATOM 1733 O GLY A 113 -0.684 -11.813 -1.422 1.00 0.00 O ATOM 0 H GLY A 113 -4.607 -11.189 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.984 -12.783 -1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.067 -12.788 -3.132 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.193 -10.751 -3.355 1.00 0.00 N ATOM 1738 CA VAL A 114 0.114 -10.120 -3.556 1.00 0.00 C ATOM 1739 C VAL A 114 0.518 -9.363 -2.280 1.00 0.00 C ATOM 1740 O VAL A 114 1.611 -9.570 -1.755 1.00 0.00 O ATOM 1741 CB VAL A 114 0.107 -9.203 -4.804 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.505 -8.628 -5.080 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.331 -9.963 -6.065 1.00 0.00 C ATOM 0 H VAL A 114 -1.874 -10.507 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 114 0.861 -10.891 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.600 -8.402 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.468 -7.989 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.834 -8.043 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.206 -9.444 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.323 -9.286 -6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.357 -10.788 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.338 -10.355 -5.922 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.365 -8.522 -1.727 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.037 -7.718 -0.553 1.00 0.00 C ATOM 1755 C ALA A 115 0.173 -8.555 0.716 1.00 0.00 C ATOM 1756 O ALA A 115 0.979 -8.168 1.568 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.119 -6.660 -0.333 1.00 0.00 C ATOM 0 H ALA A 115 -1.313 -8.384 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 115 0.918 -7.233 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.870 -6.062 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.179 -6.013 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -2.080 -7.150 -0.178 1.00 0.00 H new ATOM 1763 N THR A 116 -0.538 -9.672 0.877 1.00 0.00 N ATOM 1764 CA THR A 116 -0.342 -10.584 2.003 1.00 0.00 C ATOM 1765 C THR A 116 1.030 -11.246 1.865 1.00 0.00 C ATOM 1766 O THR A 116 1.818 -11.249 2.812 1.00 0.00 O ATOM 1767 CB THR A 116 -1.469 -11.634 2.054 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.735 -11.011 2.004 1.00 0.00 O ATOM 1769 CG2 THR A 116 -1.429 -12.451 3.349 1.00 0.00 C ATOM 0 H THR A 116 -1.267 -9.970 0.229 1.00 0.00 H new ATOM 0 HA THR A 116 -0.378 -10.028 2.940 1.00 0.00 H new ATOM 0 HB THR A 116 -1.315 -12.286 1.194 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.984 -10.850 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 116 -2.240 -13.179 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.474 -12.971 3.422 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.545 -11.784 4.204 1.00 0.00 H new ATOM 1777 N CYS A 117 1.323 -11.767 0.668 1.00 0.00 N ATOM 1778 CA CYS A 117 2.607 -12.343 0.318 1.00 0.00 C ATOM 1779 C CYS A 117 3.723 -11.346 0.622 1.00 0.00 C ATOM 1780 O CYS A 117 4.681 -11.716 1.291 1.00 0.00 O ATOM 1781 CB CYS A 117 2.586 -12.785 -1.149 1.00 0.00 C ATOM 1782 SG CYS A 117 4.172 -13.373 -1.802 1.00 0.00 S ATOM 0 H CYS A 117 0.649 -11.796 -0.097 1.00 0.00 H new ATOM 0 HA CYS A 117 2.803 -13.230 0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 117 1.848 -13.579 -1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.248 -11.947 -1.759 1.00 0.00 H new ATOM 1787 N PHE A 118 3.595 -10.081 0.210 1.00 0.00 N ATOM 1788 CA PHE A 118 4.628 -9.080 0.408 1.00 0.00 C ATOM 1789 C PHE A 118 5.045 -8.986 1.893 1.00 0.00 C ATOM 1790 O PHE A 118 6.195 -9.205 2.268 1.00 0.00 O ATOM 1791 CB PHE A 118 4.119 -7.750 -0.186 1.00 0.00 C ATOM 1792 CG PHE A 118 5.068 -6.575 -0.080 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.404 -6.784 0.271 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.633 -5.265 -0.338 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.280 -5.711 0.405 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.510 -4.178 -0.183 1.00 0.00 C ATOM 1797 CZ PHE A 118 6.834 -4.396 0.210 1.00 0.00 C ATOM 0 H PHE A 118 2.767 -9.729 -0.271 1.00 0.00 H new ATOM 0 HA PHE A 118 5.544 -9.357 -0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.885 -7.910 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.186 -7.485 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.761 -7.789 0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.616 -5.091 -0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.313 -5.893 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.161 -3.173 -0.368 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.504 -3.563 0.361 1.00 0.00 H new ATOM 1807 N LYS A 119 4.096 -8.687 2.766 1.00 0.00 N ATOM 1808 CA LYS A 119 4.229 -8.635 4.231 1.00 0.00 C ATOM 1809 C LYS A 119 4.905 -9.877 4.800 1.00 0.00 C ATOM 1810 O LYS A 119 5.734 -9.784 5.712 1.00 0.00 O ATOM 1811 CB LYS A 119 2.824 -8.504 4.835 1.00 0.00 C ATOM 1812 CG LYS A 119 2.750 -7.624 6.101 1.00 0.00 C ATOM 1813 CD LYS A 119 2.854 -8.369 7.447 1.00 0.00 C ATOM 1814 CE LYS A 119 4.185 -8.135 8.175 1.00 0.00 C ATOM 1815 NZ LYS A 119 4.226 -8.785 9.509 1.00 0.00 N ATOM 0 H LYS A 119 3.150 -8.458 2.461 1.00 0.00 H new ATOM 0 HA LYS A 119 4.857 -7.781 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.155 -8.090 4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.453 -9.500 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.550 -6.886 6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.809 -7.075 6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.035 -8.052 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.727 -9.437 7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.002 -8.517 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.348 -7.064 8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.215 -8.911 9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.732 -8.187 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.759 -9.713 9.457 1.00 0.00 H new ATOM 1829 N ALA A 120 4.511 -11.043 4.299 1.00 0.00 N ATOM 1830 CA ALA A 120 5.161 -12.305 4.646 1.00 0.00 C ATOM 1831 C ALA A 120 6.638 -12.297 4.227 1.00 0.00 C ATOM 1832 O ALA A 120 7.499 -12.628 5.039 1.00 0.00 O ATOM 1833 CB ALA A 120 4.408 -13.498 4.044 1.00 0.00 C ATOM 0 H ALA A 120 3.736 -11.142 3.644 1.00 0.00 H new ATOM 0 HA ALA A 120 5.129 -12.414 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 120 4.914 -14.424 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 120 3.388 -13.515 4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.387 -13.404 2.958 1.00 0.00 H new ATOM 1839 N GLU A 121 6.950 -11.907 2.992 1.00 0.00 N ATOM 1840 CA GLU A 121 8.306 -11.856 2.455 1.00 0.00 C ATOM 1841 C GLU A 121 9.205 -10.873 3.211 1.00 0.00 C ATOM 1842 O GLU A 121 10.360 -11.204 3.459 1.00 0.00 O ATOM 1843 CB GLU A 121 8.281 -11.505 0.968 1.00 0.00 C ATOM 1844 CG GLU A 121 7.690 -12.603 0.068 1.00 0.00 C ATOM 1845 CD GLU A 121 8.594 -13.825 -0.066 1.00 0.00 C ATOM 1846 OE1 GLU A 121 9.680 -13.709 -0.677 1.00 0.00 O ATOM 1847 OE2 GLU A 121 8.232 -14.924 0.424 1.00 0.00 O ATOM 0 H GLU A 121 6.244 -11.609 2.319 1.00 0.00 H new ATOM 0 HA GLU A 121 8.732 -12.850 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.704 -10.591 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.298 -11.291 0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.727 -12.915 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.501 -12.189 -0.922 1.00 0.00 H new ATOM 1854 N ILE A 122 8.708 -9.713 3.653 1.00 0.00 N ATOM 1855 CA ILE A 122 9.426 -8.839 4.578 1.00 0.00 C ATOM 1856 C ILE A 122 9.938 -9.634 5.794 1.00 0.00 C ATOM 1857 O ILE A 122 11.005 -9.324 6.313 1.00 0.00 O ATOM 1858 CB ILE A 122 8.572 -7.593 4.945 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.299 -6.694 3.727 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.196 -6.798 6.109 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.392 -5.492 4.012 1.00 0.00 C ATOM 0 H ILE A 122 7.794 -9.356 3.377 1.00 0.00 H new ATOM 0 HA ILE A 122 10.315 -8.446 4.085 1.00 0.00 H new ATOM 0 HB ILE A 122 7.605 -7.965 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.251 -6.331 3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.844 -7.297 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.571 -5.935 6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 122 9.267 -7.437 6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.193 -6.459 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.254 -4.915 3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.424 -5.843 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.852 -4.862 4.773 1.00 0.00 H new ATOM 1873 N HIS A 123 9.240 -10.673 6.261 1.00 0.00 N ATOM 1874 CA HIS A 123 9.711 -11.480 7.386 1.00 0.00 C ATOM 1875 C HIS A 123 10.915 -12.379 7.035 1.00 0.00 C ATOM 1876 O HIS A 123 11.617 -12.840 7.939 1.00 0.00 O ATOM 1877 CB HIS A 123 8.549 -12.310 7.958 1.00 0.00 C ATOM 1878 CG HIS A 123 8.570 -12.534 9.458 1.00 0.00 C ATOM 1879 ND1 HIS A 123 7.796 -13.459 10.123 1.00 0.00 N ATOM 1880 CD2 HIS A 123 9.328 -11.886 10.402 1.00 0.00 C ATOM 1881 CE1 HIS A 123 8.087 -13.385 11.434 1.00 0.00 C ATOM 1882 NE2 HIS A 123 9.032 -12.450 11.652 1.00 0.00 N ATOM 0 H HIS A 123 8.345 -10.974 5.875 1.00 0.00 H new ATOM 0 HA HIS A 123 10.072 -10.787 8.146 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.613 -11.817 7.697 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.545 -13.282 7.465 1.00 0.00 H new ATOM 0 HD2 HIS A 123 10.028 -11.085 10.215 1.00 0.00 H new ATOM 0 HE1 HIS A 123 7.628 -13.989 12.203 1.00 0.00 H new ATOM 0 HE2 HIS A 123 9.450 -12.201 12.549 1.00 0.00 H new ATOM 1890 N LYS A 124 11.196 -12.633 5.748 1.00 0.00 N ATOM 1891 CA LYS A 124 12.488 -13.174 5.321 1.00 0.00 C ATOM 1892 C LYS A 124 13.580 -12.111 5.408 1.00 0.00 C ATOM 1893 O LYS A 124 14.715 -12.481 5.708 1.00 0.00 O ATOM 1894 CB LYS A 124 12.463 -13.721 3.878 1.00 0.00 C ATOM 1895 CG LYS A 124 11.738 -15.064 3.725 1.00 0.00 C ATOM 1896 CD LYS A 124 10.342 -14.939 3.111 1.00 0.00 C ATOM 1897 CE LYS A 124 9.770 -16.318 2.762 1.00 0.00 C ATOM 1898 NZ LYS A 124 10.268 -16.853 1.479 1.00 0.00 N ATOM 0 H LYS A 124 10.540 -12.470 4.984 1.00 0.00 H new ATOM 0 HA LYS A 124 12.700 -13.999 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.983 -12.986 3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.489 -13.833 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.342 -15.725 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 124 11.655 -15.536 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.677 -14.432 3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.390 -14.323 2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.018 -17.018 3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.683 -16.252 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.100 -17.879 1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.767 -16.392 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.288 -16.666 1.397 1.00 0.00 H new ATOM 1912 N LEU A 125 13.297 -10.840 5.101 1.00 0.00 N ATOM 1913 CA LEU A 125 14.349 -9.828 5.009 1.00 0.00 C ATOM 1914 C LEU A 125 15.082 -9.686 6.342 1.00 0.00 C ATOM 1915 O LEU A 125 14.584 -9.981 7.431 1.00 0.00 O ATOM 1916 CB LEU A 125 13.813 -8.451 4.569 1.00 0.00 C ATOM 1917 CG LEU A 125 13.593 -8.271 3.053 1.00 0.00 C ATOM 1918 CD1 LEU A 125 12.764 -7.008 2.793 1.00 0.00 C ATOM 1919 CD2 LEU A 125 14.949 -8.132 2.343 1.00 0.00 C ATOM 0 H LEU A 125 12.356 -10.492 4.914 1.00 0.00 H new ATOM 0 HA LEU A 125 15.042 -10.175 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.866 -8.271 5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.510 -7.685 4.910 1.00 0.00 H new ATOM 0 HG LEU A 125 13.064 -9.143 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.612 -6.887 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.797 -7.099 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.292 -6.139 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.788 -8.005 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.478 -7.264 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.544 -9.029 2.517 1.00 0.00 H new ATOM 1931 N ASN A 126 16.296 -9.163 6.230 1.00 0.00 N ATOM 1932 CA ASN A 126 17.181 -8.859 7.353 1.00 0.00 C ATOM 1933 C ASN A 126 16.926 -7.443 7.889 1.00 0.00 C ATOM 1934 O ASN A 126 17.685 -6.941 8.714 1.00 0.00 O ATOM 1935 CB ASN A 126 18.633 -9.045 6.888 1.00 0.00 C ATOM 1936 CG ASN A 126 19.672 -8.838 7.981 1.00 0.00 C ATOM 1937 OD1 ASN A 126 19.499 -9.247 9.125 1.00 0.00 O ATOM 1938 ND2 ASN A 126 20.799 -8.243 7.643 1.00 0.00 N ATOM 0 H ASN A 126 16.708 -8.930 5.326 1.00 0.00 H new ATOM 0 HA ASN A 126 16.982 -9.539 8.181 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.746 -10.050 6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 126 18.834 -8.347 6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 126 21.538 -8.119 8.335 1.00 0.00 H new ATOM 0 HD22 ASN A 126 20.932 -7.907 6.689 1.00 0.00 H new ATOM 1945 N TRP A 127 15.912 -6.738 7.387 1.00 0.00 N ATOM 1946 CA TRP A 127 15.544 -5.410 7.859 1.00 0.00 C ATOM 1947 C TRP A 127 14.026 -5.260 7.818 1.00 0.00 C ATOM 1948 O TRP A 127 13.322 -6.165 7.367 1.00 0.00 O ATOM 1949 CB TRP A 127 16.252 -4.349 7.013 1.00 0.00 C ATOM 1950 CG TRP A 127 15.853 -4.297 5.574 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.080 -5.253 4.646 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.127 -3.241 4.887 1.00 0.00 C ATOM 1953 NE1 TRP A 127 15.541 -4.864 3.441 1.00 0.00 N ATOM 1954 CE2 TRP A 127 14.876 -3.666 3.552 1.00 0.00 C ATOM 1955 CE3 TRP A 127 14.654 -1.966 5.257 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.116 -2.909 2.658 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 13.955 -1.161 4.342 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.654 -1.643 3.054 1.00 0.00 C ATOM 0 H TRP A 127 15.318 -7.080 6.632 1.00 0.00 H new ATOM 0 HA TRP A 127 15.864 -5.273 8.892 1.00 0.00 H new ATOM 0 HB2 TRP A 127 16.066 -3.372 7.458 1.00 0.00 H new ATOM 0 HB3 TRP A 127 17.326 -4.525 7.067 1.00 0.00 H new ATOM 0 HD1 TRP A 127 16.604 -6.180 4.823 1.00 0.00 H new ATOM 0 HE1 TRP A 127 15.624 -5.397 2.575 1.00 0.00 H new ATOM 0 HE3 TRP A 127 14.831 -1.603 6.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 13.886 -3.292 1.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.647 -0.166 4.628 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.070 -1.042 2.373 1.00 0.00 H new ATOM 1969 N ALA A 128 13.528 -4.123 8.299 1.00 0.00 N ATOM 1970 CA ALA A 128 12.103 -3.835 8.402 1.00 0.00 C ATOM 1971 C ALA A 128 11.800 -2.514 7.684 1.00 0.00 C ATOM 1972 O ALA A 128 12.065 -1.452 8.245 1.00 0.00 O ATOM 1973 CB ALA A 128 11.668 -3.809 9.872 1.00 0.00 C ATOM 0 H ALA A 128 14.118 -3.362 8.635 1.00 0.00 H new ATOM 0 HA ALA A 128 11.528 -4.623 7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.601 -3.593 9.932 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.868 -4.779 10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.225 -3.037 10.403 1.00 0.00 H new ATOM 1979 N PRO A 129 11.262 -2.537 6.455 1.00 0.00 N ATOM 1980 CA PRO A 129 10.737 -1.335 5.824 1.00 0.00 C ATOM 1981 C PRO A 129 9.606 -0.746 6.670 1.00 0.00 C ATOM 1982 O PRO A 129 8.730 -1.492 7.128 1.00 0.00 O ATOM 1983 CB PRO A 129 10.212 -1.759 4.451 1.00 0.00 C ATOM 1984 CG PRO A 129 10.653 -3.209 4.271 1.00 0.00 C ATOM 1985 CD PRO A 129 10.939 -3.713 5.675 1.00 0.00 C ATOM 0 HA PRO A 129 11.507 -0.569 5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.127 -1.671 4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.619 -1.125 3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.874 -3.801 3.791 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.539 -3.276 3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.074 -4.232 6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.766 -4.423 5.675 1.00 0.00 H new ATOM 1993 N SER A 130 9.600 0.577 6.852 1.00 0.00 N ATOM 1994 CA SER A 130 8.499 1.250 7.524 1.00 0.00 C ATOM 1995 C SER A 130 7.225 1.175 6.675 1.00 0.00 C ATOM 1996 O SER A 130 7.280 0.930 5.466 1.00 0.00 O ATOM 1997 CB SER A 130 8.847 2.716 7.760 1.00 0.00 C ATOM 1998 OG SER A 130 9.953 2.902 8.623 1.00 0.00 O ATOM 0 H SER A 130 10.347 1.198 6.542 1.00 0.00 H new ATOM 0 HA SER A 130 8.329 0.752 8.478 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.061 3.189 6.802 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.979 3.224 8.180 1.00 0.00 H new ATOM 0 HG SER A 130 10.125 3.861 8.732 1.00 0.00 H new ATOM 2004 N MET A 131 6.076 1.454 7.293 1.00 0.00 N ATOM 2005 CA MET A 131 4.776 1.356 6.646 1.00 0.00 C ATOM 2006 C MET A 131 4.630 2.315 5.473 1.00 0.00 C ATOM 2007 O MET A 131 4.209 1.855 4.417 1.00 0.00 O ATOM 2008 CB MET A 131 3.670 1.611 7.664 1.00 0.00 C ATOM 2009 CG MET A 131 3.501 0.409 8.601 1.00 0.00 C ATOM 2010 SD MET A 131 3.870 0.748 10.338 1.00 0.00 S ATOM 2011 CE MET A 131 2.360 1.645 10.777 1.00 0.00 C ATOM 0 H MET A 131 6.026 1.757 8.266 1.00 0.00 H new ATOM 0 HA MET A 131 4.692 0.345 6.247 1.00 0.00 H new ATOM 0 HB2 MET A 131 3.905 2.501 8.247 1.00 0.00 H new ATOM 0 HB3 MET A 131 2.732 1.808 7.146 1.00 0.00 H new ATOM 0 HG2 MET A 131 2.475 0.048 8.525 1.00 0.00 H new ATOM 0 HG3 MET A 131 4.149 -0.397 8.257 1.00 0.00 H new ATOM 0 HE1 MET A 131 2.412 1.956 11.821 1.00 0.00 H new ATOM 0 HE2 MET A 131 2.261 2.525 10.141 1.00 0.00 H new ATOM 0 HE3 MET A 131 1.496 0.995 10.634 1.00 0.00 H new ATOM 2021 N ASP A 132 4.989 3.599 5.623 1.00 0.00 N ATOM 2022 CA ASP A 132 4.922 4.578 4.528 1.00 0.00 C ATOM 2023 C ASP A 132 5.575 3.998 3.264 1.00 0.00 C ATOM 2024 O ASP A 132 5.062 4.191 2.164 1.00 0.00 O ATOM 2025 CB ASP A 132 5.662 5.878 4.879 1.00 0.00 C ATOM 2026 CG ASP A 132 4.922 6.905 5.740 1.00 0.00 C ATOM 2027 OD1 ASP A 132 4.195 7.759 5.191 1.00 0.00 O ATOM 2028 OD2 ASP A 132 5.129 6.937 6.974 1.00 0.00 O ATOM 0 H ASP A 132 5.332 3.986 6.502 1.00 0.00 H new ATOM 0 HA ASP A 132 3.867 4.796 4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 132 6.585 5.611 5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 132 5.947 6.365 3.946 1.00 0.00 H new ATOM 2033 N VAL A 133 6.673 3.251 3.427 1.00 0.00 N ATOM 2034 CA VAL A 133 7.409 2.617 2.346 1.00 0.00 C ATOM 2035 C VAL A 133 6.689 1.331 1.919 1.00 0.00 C ATOM 2036 O VAL A 133 6.175 1.273 0.811 1.00 0.00 O ATOM 2037 CB VAL A 133 8.876 2.404 2.775 1.00 0.00 C ATOM 2038 CG1 VAL A 133 9.720 1.833 1.630 1.00 0.00 C ATOM 2039 CG2 VAL A 133 9.519 3.724 3.219 1.00 0.00 C ATOM 0 H VAL A 133 7.080 3.070 4.345 1.00 0.00 H new ATOM 0 HA VAL A 133 7.439 3.257 1.464 1.00 0.00 H new ATOM 0 HB VAL A 133 8.854 1.698 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 133 10.747 1.696 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.309 0.872 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 133 9.705 2.524 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 133 10.552 3.544 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 133 9.497 4.435 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.965 4.132 4.064 1.00 0.00 H new ATOM 2049 N ALA A 134 6.603 0.295 2.764 1.00 0.00 N ATOM 2050 CA ALA A 134 6.044 -1.006 2.372 1.00 0.00 C ATOM 2051 C ALA A 134 4.578 -0.941 1.919 1.00 0.00 C ATOM 2052 O ALA A 134 4.066 -1.911 1.363 1.00 0.00 O ATOM 2053 CB ALA A 134 6.147 -2.005 3.524 1.00 0.00 C ATOM 0 H ALA A 134 6.917 0.334 3.734 1.00 0.00 H new ATOM 0 HA ALA A 134 6.640 -1.329 1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 134 5.728 -2.962 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.194 -2.139 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.593 -1.628 4.384 1.00 0.00 H new ATOM 2059 N VAL A 135 3.870 0.151 2.182 1.00 0.00 N ATOM 2060 CA VAL A 135 2.547 0.407 1.642 1.00 0.00 C ATOM 2061 C VAL A 135 2.697 1.293 0.400 1.00 0.00 C ATOM 2062 O VAL A 135 2.144 0.947 -0.639 1.00 0.00 O ATOM 2063 CB VAL A 135 1.656 0.999 2.756 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.225 1.266 2.290 1.00 0.00 C ATOM 2065 CG2 VAL A 135 1.571 0.045 3.968 1.00 0.00 C ATOM 0 H VAL A 135 4.210 0.897 2.790 1.00 0.00 H new ATOM 0 HA VAL A 135 2.046 -0.503 1.314 1.00 0.00 H new ATOM 0 HB VAL A 135 2.129 1.942 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.355 1.681 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.238 1.975 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.231 0.332 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 135 0.937 0.488 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.146 -0.908 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 135 2.570 -0.120 4.372 1.00 0.00 H new ATOM 2075 N GLY A 136 3.455 2.392 0.464 1.00 0.00 N ATOM 2076 CA GLY A 136 3.645 3.311 -0.651 1.00 0.00 C ATOM 2077 C GLY A 136 4.182 2.628 -1.910 1.00 0.00 C ATOM 2078 O GLY A 136 3.732 2.961 -3.004 1.00 0.00 O ATOM 0 H GLY A 136 3.959 2.668 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 136 2.695 3.791 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.335 4.099 -0.350 1.00 0.00 H new ATOM 2082 N GLU A 137 5.119 1.690 -1.757 1.00 0.00 N ATOM 2083 CA GLU A 137 5.822 1.037 -2.856 1.00 0.00 C ATOM 2084 C GLU A 137 4.884 0.059 -3.555 1.00 0.00 C ATOM 2085 O GLU A 137 4.640 0.222 -4.742 1.00 0.00 O ATOM 2086 CB GLU A 137 7.114 0.365 -2.354 1.00 0.00 C ATOM 2087 CG GLU A 137 8.150 1.410 -1.885 1.00 0.00 C ATOM 2088 CD GLU A 137 9.600 1.031 -2.207 1.00 0.00 C ATOM 2089 OE1 GLU A 137 9.937 1.028 -3.412 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.375 0.831 -1.243 1.00 0.00 O ATOM 0 H GLU A 137 5.415 1.357 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 137 6.128 1.782 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 137 6.878 -0.310 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.543 -0.242 -3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.923 2.368 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.051 1.548 -0.808 1.00 0.00 H new ATOM 2097 N ILE A 138 4.240 -0.873 -2.831 1.00 0.00 N ATOM 2098 CA ILE A 138 3.370 -1.847 -3.509 1.00 0.00 C ATOM 2099 C ILE A 138 2.234 -1.145 -4.265 1.00 0.00 C ATOM 2100 O ILE A 138 1.748 -1.640 -5.274 1.00 0.00 O ATOM 2101 CB ILE A 138 2.874 -2.954 -2.551 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.030 -4.010 -3.307 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.101 -2.386 -1.343 1.00 0.00 C ATOM 2104 CD1 ILE A 138 1.807 -5.341 -2.571 1.00 0.00 C ATOM 0 H ILE A 138 4.300 -0.972 -1.818 1.00 0.00 H new ATOM 0 HA ILE A 138 3.970 -2.362 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 138 3.761 -3.447 -2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.057 -3.575 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.515 -4.221 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 138 1.775 -3.205 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.750 -1.718 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.231 -1.833 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.204 -6.004 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 138 2.770 -5.810 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.289 -5.154 -1.630 1.00 0.00 H new ATOM 2116 N LEU A 139 1.806 0.029 -3.811 1.00 0.00 N ATOM 2117 CA LEU A 139 0.805 0.835 -4.488 1.00 0.00 C ATOM 2118 C LEU A 139 1.339 1.552 -5.719 1.00 0.00 C ATOM 2119 O LEU A 139 0.621 1.746 -6.690 1.00 0.00 O ATOM 2120 CB LEU A 139 0.346 1.895 -3.515 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.492 1.342 -2.358 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.761 2.493 -1.401 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.784 0.731 -2.873 1.00 0.00 C ATOM 0 H LEU A 139 2.152 0.450 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 139 0.008 0.166 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.219 2.406 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.239 2.641 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 139 0.043 0.546 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.357 2.136 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.185 2.888 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.304 3.281 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.363 0.345 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.364 1.492 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.553 -0.083 -3.560 1.00 0.00 H new ATOM 2135 N ALA A 140 2.584 1.984 -5.693 1.00 0.00 N ATOM 2136 CA ALA A 140 3.285 2.329 -6.921 1.00 0.00 C ATOM 2137 C ALA A 140 3.361 1.147 -7.915 1.00 0.00 C ATOM 2138 O ALA A 140 3.794 1.370 -9.048 1.00 0.00 O ATOM 2139 CB ALA A 140 4.679 2.887 -6.597 1.00 0.00 C ATOM 0 H ALA A 140 3.132 2.105 -4.841 1.00 0.00 H new ATOM 0 HA ALA A 140 2.707 3.106 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.193 3.141 -7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.579 3.780 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.255 2.136 -6.057 1.00 0.00 H new ATOM 2145 N GLU A 141 3.000 -0.091 -7.549 1.00 0.00 N ATOM 2146 CA GLU A 141 3.362 -1.270 -8.317 1.00 0.00 C ATOM 2147 C GLU A 141 2.212 -2.189 -8.741 1.00 0.00 C ATOM 2148 O GLU A 141 2.317 -2.804 -9.805 1.00 0.00 O ATOM 2149 CB GLU A 141 4.435 -1.998 -7.523 1.00 0.00 C ATOM 2150 CG GLU A 141 5.727 -1.177 -7.521 1.00 0.00 C ATOM 2151 CD GLU A 141 6.839 -1.897 -6.785 1.00 0.00 C ATOM 2152 OE1 GLU A 141 7.534 -2.646 -7.505 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.054 -1.641 -5.579 1.00 0.00 O ATOM 0 H GLU A 141 2.451 -0.293 -6.714 1.00 0.00 H new ATOM 0 HA GLU A 141 3.730 -0.935 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.095 -2.161 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.618 -2.980 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.036 -0.980 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.545 -0.210 -7.052 1.00 0.00 H new ATOM 2160 N VAL A 142 1.138 -2.307 -7.963 1.00 0.00 N ATOM 2161 CA VAL A 142 0.104 -3.334 -8.122 1.00 0.00 C ATOM 2162 C VAL A 142 -1.111 -2.794 -8.865 1.00 0.00 C ATOM 2163 O VAL A 142 -1.593 -3.482 -9.792 1.00 0.00 O ATOM 2164 CB VAL A 142 -0.210 -3.924 -6.733 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.628 -4.464 -6.559 1.00 0.00 C ATOM 2166 CG2 VAL A 142 0.804 -5.037 -6.434 1.00 0.00 C ATOM 0 H VAL A 142 0.956 -1.675 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 142 0.462 -4.147 -8.753 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.134 -3.096 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.747 -4.856 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.346 -3.660 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.805 -5.261 -7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.596 -5.465 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.725 -5.814 -7.194 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.812 -4.623 -6.442 1.00 0.00 H new