USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 577 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 71 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 74 HIS : no HE2:sc= -0.0395 K(o=-0.039,f=-2) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -171:sc= 0.819 (180deg=0) USER MOD Set 2.2: A 66 GLN : amide:sc= 1.23 K(o=2,f=-2.9) USER MOD Set 3.1: A 54 THR OG1 : rot -64:sc= 0.785 USER MOD Set 3.2: A 57 GLN : amide:sc= -0.325 K(o=0.46,f=-4.2!) USER MOD Single : A 8 ASN : amide:sc= 0.477 K(o=0.48,f=-0.81) USER MOD Single : A 9 GLN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 15 ASN : amide:sc= 0.645 K(o=0.64,f=-0.32) USER MOD Single : A 20 THR OG1 : rot 115:sc= 1.04 USER MOD Single : A 21 ASN : amide:sc= 0.146 K(o=0.15,f=-2.6!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 96:sc= 1.2 USER MOD Single : A 27 MET CE :methyl 168:sc= 0 (180deg=-0.0704) USER MOD Single : A 30 ASN : amide:sc= -0.41 K(o=-0.41,f=-2.6!) USER MOD Single : A 31 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= 1.25 (180deg=0.726) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 72:sc= 0.00526 USER MOD Single : A 58 SER OG : rot 143:sc= 1.14 USER MOD Single : A 59 ASN : amide:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0.794) USER MOD Single : A 76 MET CE :methyl -179:sc= -0.225 (180deg=-0.229) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 32:sc= 0.504 USER MOD ----------------------------------------------------------------- ATOM 90 N PRO A 7 12.196 6.183 9.169 1.00 0.00 N ATOM 91 CA PRO A 7 13.264 6.696 8.319 1.00 0.00 C ATOM 92 C PRO A 7 14.587 5.928 8.419 1.00 0.00 C ATOM 93 O PRO A 7 14.982 5.472 9.496 1.00 0.00 O ATOM 94 CB PRO A 7 13.440 8.164 8.717 1.00 0.00 C ATOM 95 CG PRO A 7 12.045 8.563 9.187 1.00 0.00 C ATOM 96 CD PRO A 7 11.529 7.285 9.849 1.00 0.00 C ATOM 0 HA PRO A 7 12.981 6.574 7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.181 8.281 9.508 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.772 8.773 7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.078 9.396 9.889 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.411 8.871 8.355 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.755 7.279 10.915 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.446 7.205 9.752 1.00 0.00 H new ATOM 104 N ASN A 8 15.304 5.850 7.294 1.00 0.00 N ATOM 105 CA ASN A 8 16.635 5.264 7.170 1.00 0.00 C ATOM 106 C ASN A 8 17.389 6.046 6.094 1.00 0.00 C ATOM 107 O ASN A 8 16.765 6.541 5.156 1.00 0.00 O ATOM 108 CB ASN A 8 16.522 3.783 6.769 1.00 0.00 C ATOM 109 CG ASN A 8 17.893 3.176 6.509 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.847 3.422 7.241 1.00 0.00 O ATOM 111 ND2 ASN A 8 18.035 2.421 5.440 1.00 0.00 N ATOM 0 H ASN A 8 14.953 6.211 6.407 1.00 0.00 H new ATOM 0 HA ASN A 8 17.167 5.318 8.120 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.020 3.227 7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.906 3.692 5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.949 2.030 5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.231 2.227 4.843 1.00 0.00 H new ATOM 118 N GLN A 9 18.716 6.160 6.196 1.00 0.00 N ATOM 119 CA GLN A 9 19.550 6.947 5.280 1.00 0.00 C ATOM 120 C GLN A 9 19.715 6.302 3.889 1.00 0.00 C ATOM 121 O GLN A 9 20.523 6.776 3.090 1.00 0.00 O ATOM 122 CB GLN A 9 20.907 7.259 5.940 1.00 0.00 C ATOM 123 CG GLN A 9 21.854 6.051 6.051 1.00 0.00 C ATOM 124 CD GLN A 9 23.189 6.426 6.692 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.498 6.015 7.809 1.00 0.00 O ATOM 126 NE2 GLN A 9 24.016 7.200 6.006 1.00 0.00 N ATOM 0 H GLN A 9 19.252 5.699 6.931 1.00 0.00 H new ATOM 0 HA GLN A 9 19.027 7.885 5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.404 8.043 5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.728 7.658 6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.376 5.269 6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 9 22.032 5.638 5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.750 7.536 5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.919 7.460 6.403 1.00 0.00 H new ATOM 135 N ILE A 10 19.000 5.212 3.595 1.00 0.00 N ATOM 136 CA ILE A 10 19.078 4.480 2.338 1.00 0.00 C ATOM 137 C ILE A 10 17.631 4.225 1.919 1.00 0.00 C ATOM 138 O ILE A 10 16.773 3.922 2.756 1.00 0.00 O ATOM 139 CB ILE A 10 19.895 3.165 2.469 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.203 3.354 3.274 1.00 0.00 C ATOM 141 CG2 ILE A 10 20.193 2.582 1.070 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.071 2.097 3.406 1.00 0.00 C ATOM 0 H ILE A 10 18.331 4.806 4.250 1.00 0.00 H new ATOM 0 HA ILE A 10 19.612 5.054 1.581 1.00 0.00 H new ATOM 0 HB ILE A 10 19.283 2.459 3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.794 4.137 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.949 3.708 4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.766 1.661 1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.255 2.370 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.769 3.304 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.964 2.331 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.504 1.315 3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.363 1.751 2.415 1.00 0.00 H new ATOM 154 N LEU A 11 17.369 4.331 0.622 1.00 0.00 N ATOM 155 CA LEU A 11 16.054 4.243 0.011 1.00 0.00 C ATOM 156 C LEU A 11 16.121 3.160 -1.059 1.00 0.00 C ATOM 157 O LEU A 11 17.157 3.008 -1.710 1.00 0.00 O ATOM 158 CB LEU A 11 15.678 5.595 -0.627 1.00 0.00 C ATOM 159 CG LEU A 11 15.653 6.801 0.334 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.356 8.090 -0.441 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.622 6.599 1.450 1.00 0.00 C ATOM 0 H LEU A 11 18.107 4.489 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 11 15.297 4.000 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.385 5.807 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.694 5.499 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 11 16.636 6.885 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.341 8.934 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.129 8.249 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.386 8.005 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.627 7.465 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.630 6.483 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.874 5.705 2.021 1.00 0.00 H new ATOM 173 N PHE A 12 15.013 2.454 -1.262 1.00 0.00 N ATOM 174 CA PHE A 12 14.805 1.524 -2.361 1.00 0.00 C ATOM 175 C PHE A 12 13.674 2.100 -3.194 1.00 0.00 C ATOM 176 O PHE A 12 12.685 2.597 -2.645 1.00 0.00 O ATOM 177 CB PHE A 12 14.439 0.130 -1.846 1.00 0.00 C ATOM 178 CG PHE A 12 14.076 -0.842 -2.959 1.00 0.00 C ATOM 179 CD1 PHE A 12 15.047 -1.219 -3.906 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.765 -1.340 -3.079 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.728 -2.122 -4.935 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.452 -2.263 -4.094 1.00 0.00 C ATOM 183 CZ PHE A 12 13.433 -2.655 -5.022 1.00 0.00 C ATOM 0 H PHE A 12 14.206 2.518 -0.641 1.00 0.00 H new ATOM 0 HA PHE A 12 15.715 1.407 -2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.278 -0.273 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.599 0.213 -1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.045 -0.811 -3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.999 -1.013 -2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.479 -2.405 -5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.455 -2.672 -4.160 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.190 -3.364 -5.799 1.00 0.00 H new ATOM 193 N LEU A 13 13.828 2.058 -4.510 1.00 0.00 N ATOM 194 CA LEU A 13 12.974 2.743 -5.457 1.00 0.00 C ATOM 195 C LEU A 13 12.517 1.758 -6.519 1.00 0.00 C ATOM 196 O LEU A 13 13.264 0.849 -6.888 1.00 0.00 O ATOM 197 CB LEU A 13 13.754 3.874 -6.138 1.00 0.00 C ATOM 198 CG LEU A 13 13.831 5.196 -5.362 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.731 5.136 -4.123 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.370 6.267 -6.307 1.00 0.00 C ATOM 0 H LEU A 13 14.576 1.528 -4.957 1.00 0.00 H new ATOM 0 HA LEU A 13 12.114 3.157 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.770 3.526 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.298 4.071 -7.108 1.00 0.00 H new ATOM 0 HG LEU A 13 12.826 5.421 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.734 6.107 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.353 4.380 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.747 4.878 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.435 7.219 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.361 5.978 -6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.700 6.370 -7.160 1.00 0.00 H new ATOM 212 N THR A 14 11.317 1.994 -7.043 1.00 0.00 N ATOM 213 CA THR A 14 10.635 1.142 -8.012 1.00 0.00 C ATOM 214 C THR A 14 9.838 1.998 -9.013 1.00 0.00 C ATOM 215 O THR A 14 9.779 3.228 -8.892 1.00 0.00 O ATOM 216 CB THR A 14 9.741 0.124 -7.263 1.00 0.00 C ATOM 217 OG1 THR A 14 8.874 0.779 -6.363 1.00 0.00 O ATOM 218 CG2 THR A 14 10.531 -0.884 -6.427 1.00 0.00 C ATOM 0 H THR A 14 10.771 2.819 -6.793 1.00 0.00 H new ATOM 0 HA THR A 14 11.367 0.580 -8.592 1.00 0.00 H new ATOM 0 HB THR A 14 9.200 -0.398 -8.053 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.318 0.116 -5.903 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.840 -1.566 -5.931 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.198 -1.452 -7.076 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.119 -0.354 -5.678 1.00 0.00 H new ATOM 226 N ASN A 15 9.208 1.345 -10.000 1.00 0.00 N ATOM 227 CA ASN A 15 8.415 1.952 -11.078 1.00 0.00 C ATOM 228 C ASN A 15 9.177 3.036 -11.861 1.00 0.00 C ATOM 229 O ASN A 15 8.593 3.982 -12.393 1.00 0.00 O ATOM 230 CB ASN A 15 7.062 2.436 -10.534 1.00 0.00 C ATOM 231 CG ASN A 15 6.068 2.745 -11.651 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.789 1.903 -12.501 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.486 3.932 -11.661 1.00 0.00 N ATOM 0 H ASN A 15 9.240 0.328 -10.071 1.00 0.00 H new ATOM 0 HA ASN A 15 8.218 1.177 -11.818 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.643 1.674 -9.878 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.214 3.329 -9.928 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.798 4.156 -12.379 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.725 4.623 -10.950 1.00 0.00 H new ATOM 240 N LEU A 16 10.503 2.915 -11.907 1.00 0.00 N ATOM 241 CA LEU A 16 11.397 3.811 -12.632 1.00 0.00 C ATOM 242 C LEU A 16 11.319 3.489 -14.137 1.00 0.00 C ATOM 243 O LEU A 16 10.728 2.463 -14.497 1.00 0.00 O ATOM 244 CB LEU A 16 12.833 3.655 -12.088 1.00 0.00 C ATOM 245 CG LEU A 16 12.972 3.617 -10.555 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.435 3.389 -10.184 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.470 4.904 -9.895 1.00 0.00 C ATOM 0 H LEU A 16 10.999 2.166 -11.424 1.00 0.00 H new ATOM 0 HA LEU A 16 11.097 4.849 -12.489 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.257 2.737 -12.495 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.436 4.480 -12.468 1.00 0.00 H new ATOM 0 HG LEU A 16 12.354 2.798 -10.187 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.535 3.362 -9.099 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.773 2.442 -10.604 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.043 4.201 -10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.589 4.829 -8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.047 5.752 -10.265 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.417 5.049 -10.135 1.00 0.00 H new ATOM 259 N PRO A 17 11.870 4.336 -15.028 1.00 0.00 N ATOM 260 CA PRO A 17 12.036 4.022 -16.443 1.00 0.00 C ATOM 261 C PRO A 17 12.657 2.639 -16.680 1.00 0.00 C ATOM 262 O PRO A 17 13.405 2.112 -15.858 1.00 0.00 O ATOM 263 CB PRO A 17 12.924 5.127 -17.015 1.00 0.00 C ATOM 264 CG PRO A 17 12.633 6.319 -16.116 1.00 0.00 C ATOM 265 CD PRO A 17 12.336 5.686 -14.760 1.00 0.00 C ATOM 0 HA PRO A 17 11.064 3.981 -16.935 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.978 4.850 -16.986 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.679 5.340 -18.056 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.484 6.998 -16.063 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.785 6.899 -16.482 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.229 5.671 -14.135 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.580 6.258 -14.222 1.00 0.00 H new ATOM 273 N GLU A 18 12.454 2.088 -17.875 1.00 0.00 N ATOM 274 CA GLU A 18 13.162 0.883 -18.317 1.00 0.00 C ATOM 275 C GLU A 18 14.600 1.228 -18.751 1.00 0.00 C ATOM 276 O GLU A 18 15.306 0.381 -19.302 1.00 0.00 O ATOM 277 CB GLU A 18 12.372 0.202 -19.449 1.00 0.00 C ATOM 278 CG GLU A 18 10.997 -0.299 -18.982 1.00 0.00 C ATOM 279 CD GLU A 18 10.272 -1.073 -20.098 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.552 -0.451 -20.914 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.397 -2.317 -20.164 1.00 0.00 O ATOM 0 H GLU A 18 11.799 2.460 -18.562 1.00 0.00 H new ATOM 0 HA GLU A 18 13.235 0.182 -17.486 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.240 0.906 -20.271 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.949 -0.637 -19.838 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.119 -0.943 -18.111 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.387 0.548 -18.669 1.00 0.00 H new ATOM 288 N GLU A 19 15.035 2.474 -18.525 1.00 0.00 N ATOM 289 CA GLU A 19 16.258 3.057 -19.036 1.00 0.00 C ATOM 290 C GLU A 19 16.958 3.938 -17.983 1.00 0.00 C ATOM 291 O GLU A 19 17.863 4.698 -18.329 1.00 0.00 O ATOM 292 CB GLU A 19 15.953 3.872 -20.313 1.00 0.00 C ATOM 293 CG GLU A 19 15.157 3.116 -21.389 1.00 0.00 C ATOM 294 CD GLU A 19 15.051 3.934 -22.689 1.00 0.00 C ATOM 295 OE1 GLU A 19 14.107 4.743 -22.833 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.900 3.762 -23.593 1.00 0.00 O ATOM 0 H GLU A 19 14.506 3.129 -17.948 1.00 0.00 H new ATOM 0 HA GLU A 19 16.943 2.245 -19.281 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.397 4.766 -20.032 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.895 4.206 -20.747 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.640 2.161 -21.597 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.158 2.893 -21.015 1.00 0.00 H new ATOM 303 N THR A 20 16.532 3.887 -16.712 1.00 0.00 N ATOM 304 CA THR A 20 17.107 4.684 -15.631 1.00 0.00 C ATOM 305 C THR A 20 18.606 4.397 -15.537 1.00 0.00 C ATOM 306 O THR A 20 19.048 3.261 -15.734 1.00 0.00 O ATOM 307 CB THR A 20 16.409 4.380 -14.291 1.00 0.00 C ATOM 308 OG1 THR A 20 15.073 3.988 -14.493 1.00 0.00 O ATOM 309 CG2 THR A 20 16.392 5.610 -13.379 1.00 0.00 C ATOM 0 H THR A 20 15.769 3.282 -16.408 1.00 0.00 H new ATOM 0 HA THR A 20 16.955 5.741 -15.848 1.00 0.00 H new ATOM 0 HB THR A 20 16.976 3.574 -13.825 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.960 3.055 -14.216 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.893 5.362 -12.442 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.415 5.924 -13.173 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.856 6.421 -13.872 1.00 0.00 H new ATOM 317 N ASN A 21 19.384 5.422 -15.193 1.00 0.00 N ATOM 318 CA ASN A 21 20.815 5.313 -14.976 1.00 0.00 C ATOM 319 C ASN A 21 21.138 6.113 -13.719 1.00 0.00 C ATOM 320 O ASN A 21 20.379 7.012 -13.354 1.00 0.00 O ATOM 321 CB ASN A 21 21.569 5.835 -16.211 1.00 0.00 C ATOM 322 CG ASN A 21 23.085 5.694 -16.085 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.594 4.834 -15.373 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.837 6.550 -16.754 1.00 0.00 N ATOM 0 H ASN A 21 19.025 6.367 -15.056 1.00 0.00 H new ATOM 0 HA ASN A 21 21.128 4.278 -14.835 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.231 5.292 -17.093 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.318 6.884 -16.367 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.853 6.501 -16.682 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.401 7.260 -17.342 1.00 0.00 H new ATOM 331 N GLU A 22 22.252 5.806 -13.057 1.00 0.00 N ATOM 332 CA GLU A 22 22.613 6.393 -11.765 1.00 0.00 C ATOM 333 C GLU A 22 22.704 7.908 -11.872 1.00 0.00 C ATOM 334 O GLU A 22 22.286 8.619 -10.962 1.00 0.00 O ATOM 335 CB GLU A 22 23.934 5.798 -11.246 1.00 0.00 C ATOM 336 CG GLU A 22 23.794 4.284 -11.053 1.00 0.00 C ATOM 337 CD GLU A 22 25.011 3.557 -10.458 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.155 4.066 -10.515 1.00 0.00 O ATOM 339 OE2 GLU A 22 24.811 2.421 -9.972 1.00 0.00 O ATOM 0 H GLU A 22 22.938 5.136 -13.405 1.00 0.00 H new ATOM 0 HA GLU A 22 21.830 6.150 -11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.738 6.009 -11.951 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.207 6.269 -10.301 1.00 0.00 H new ATOM 0 HG2 GLU A 22 22.936 4.100 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.567 3.836 -12.020 1.00 0.00 H new ATOM 346 N MET A 23 23.176 8.397 -13.017 1.00 0.00 N ATOM 347 CA MET A 23 23.298 9.820 -13.316 1.00 0.00 C ATOM 348 C MET A 23 21.948 10.536 -13.238 1.00 0.00 C ATOM 349 O MET A 23 21.888 11.660 -12.743 1.00 0.00 O ATOM 350 CB MET A 23 23.915 10.013 -14.710 1.00 0.00 C ATOM 351 CG MET A 23 25.412 9.690 -14.754 1.00 0.00 C ATOM 352 SD MET A 23 25.894 7.948 -14.554 1.00 0.00 S ATOM 353 CE MET A 23 27.696 8.118 -14.672 1.00 0.00 C ATOM 0 H MET A 23 23.492 7.799 -13.781 1.00 0.00 H new ATOM 0 HA MET A 23 23.951 10.261 -12.563 1.00 0.00 H new ATOM 0 HB2 MET A 23 23.391 9.377 -15.424 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.762 11.044 -15.029 1.00 0.00 H new ATOM 0 HG2 MET A 23 25.805 10.042 -15.708 1.00 0.00 H new ATOM 0 HG3 MET A 23 25.905 10.269 -13.973 1.00 0.00 H new ATOM 0 HE1 MET A 23 28.161 7.138 -14.570 1.00 0.00 H new ATOM 0 HE2 MET A 23 27.959 8.545 -15.640 1.00 0.00 H new ATOM 0 HE3 MET A 23 28.052 8.773 -13.877 1.00 0.00 H new ATOM 363 N MET A 24 20.870 9.888 -13.694 1.00 0.00 N ATOM 364 CA MET A 24 19.524 10.466 -13.691 1.00 0.00 C ATOM 365 C MET A 24 19.096 10.737 -12.255 1.00 0.00 C ATOM 366 O MET A 24 18.780 11.865 -11.867 1.00 0.00 O ATOM 367 CB MET A 24 18.491 9.544 -14.377 1.00 0.00 C ATOM 368 CG MET A 24 18.839 9.250 -15.832 1.00 0.00 C ATOM 369 SD MET A 24 17.569 8.289 -16.697 1.00 0.00 S ATOM 370 CE MET A 24 18.399 8.048 -18.291 1.00 0.00 C ATOM 0 H MET A 24 20.908 8.943 -14.077 1.00 0.00 H new ATOM 0 HA MET A 24 19.559 11.396 -14.259 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.426 8.605 -13.827 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.507 10.010 -14.330 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.992 10.192 -16.358 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.783 8.707 -15.869 1.00 0.00 H new ATOM 0 HE1 MET A 24 17.754 7.470 -18.953 1.00 0.00 H new ATOM 0 HE2 MET A 24 18.608 9.018 -18.743 1.00 0.00 H new ATOM 0 HE3 MET A 24 19.335 7.511 -18.136 1.00 0.00 H new ATOM 380 N LEU A 25 19.129 9.687 -11.440 1.00 0.00 N ATOM 381 CA LEU A 25 18.674 9.810 -10.067 1.00 0.00 C ATOM 382 C LEU A 25 19.646 10.671 -9.269 1.00 0.00 C ATOM 383 O LEU A 25 19.208 11.367 -8.360 1.00 0.00 O ATOM 384 CB LEU A 25 18.504 8.441 -9.403 1.00 0.00 C ATOM 385 CG LEU A 25 17.505 7.493 -10.087 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.196 6.353 -9.118 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.214 8.202 -10.518 1.00 0.00 C ATOM 0 H LEU A 25 19.460 8.759 -11.703 1.00 0.00 H new ATOM 0 HA LEU A 25 17.696 10.292 -10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.477 7.951 -9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.186 8.594 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 25 17.957 7.112 -11.003 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.488 5.665 -9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.116 5.820 -8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.763 6.760 -8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.546 7.484 -10.995 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.723 8.628 -9.643 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.454 8.998 -11.223 1.00 0.00 H new ATOM 399 N SER A 26 20.936 10.684 -9.616 1.00 0.00 N ATOM 400 CA SER A 26 21.892 11.575 -8.983 1.00 0.00 C ATOM 401 C SER A 26 21.485 13.022 -9.246 1.00 0.00 C ATOM 402 O SER A 26 21.326 13.772 -8.292 1.00 0.00 O ATOM 403 CB SER A 26 23.321 11.298 -9.461 1.00 0.00 C ATOM 404 OG SER A 26 23.698 9.965 -9.173 1.00 0.00 O ATOM 0 H SER A 26 21.336 10.082 -10.336 1.00 0.00 H new ATOM 0 HA SER A 26 21.883 11.395 -7.908 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.391 11.477 -10.534 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.011 11.989 -8.977 1.00 0.00 H new ATOM 0 HG SER A 26 23.547 9.405 -9.963 1.00 0.00 H new ATOM 410 N MET A 27 21.242 13.416 -10.499 1.00 0.00 N ATOM 411 CA MET A 27 20.850 14.798 -10.786 1.00 0.00 C ATOM 412 C MET A 27 19.480 15.145 -10.184 1.00 0.00 C ATOM 413 O MET A 27 19.221 16.320 -9.919 1.00 0.00 O ATOM 414 CB MET A 27 20.942 15.142 -12.283 1.00 0.00 C ATOM 415 CG MET A 27 19.899 14.468 -13.179 1.00 0.00 C ATOM 416 SD MET A 27 19.868 15.095 -14.880 1.00 0.00 S ATOM 417 CE MET A 27 18.457 14.153 -15.524 1.00 0.00 C ATOM 0 H MET A 27 21.308 12.810 -11.317 1.00 0.00 H new ATOM 0 HA MET A 27 21.580 15.437 -10.288 1.00 0.00 H new ATOM 0 HB2 MET A 27 20.849 16.222 -12.396 1.00 0.00 H new ATOM 0 HB3 MET A 27 21.934 14.868 -12.641 1.00 0.00 H new ATOM 0 HG2 MET A 27 20.094 13.396 -13.202 1.00 0.00 H new ATOM 0 HG3 MET A 27 18.913 14.603 -12.735 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.157 14.562 -16.489 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.742 13.108 -15.645 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.623 14.223 -14.825 1.00 0.00 H new ATOM 427 N LEU A 28 18.602 14.156 -9.950 1.00 0.00 N ATOM 428 CA LEU A 28 17.343 14.402 -9.245 1.00 0.00 C ATOM 429 C LEU A 28 17.568 14.604 -7.745 1.00 0.00 C ATOM 430 O LEU A 28 17.195 15.646 -7.207 1.00 0.00 O ATOM 431 CB LEU A 28 16.317 13.284 -9.508 1.00 0.00 C ATOM 432 CG LEU A 28 15.775 13.254 -10.952 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.827 12.062 -11.125 1.00 0.00 C ATOM 434 CD2 LEU A 28 15.030 14.539 -11.338 1.00 0.00 C ATOM 0 H LEU A 28 18.743 13.188 -10.238 1.00 0.00 H new ATOM 0 HA LEU A 28 16.929 15.328 -9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.778 12.322 -9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.480 13.404 -8.820 1.00 0.00 H new ATOM 0 HG LEU A 28 16.640 13.163 -11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.447 12.045 -12.146 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.366 11.136 -10.923 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.993 12.156 -10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.672 14.458 -12.364 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.182 14.683 -10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.706 15.390 -11.255 1.00 0.00 H new ATOM 446 N PHE A 29 18.157 13.628 -7.054 1.00 0.00 N ATOM 447 CA PHE A 29 18.241 13.645 -5.599 1.00 0.00 C ATOM 448 C PHE A 29 19.372 14.541 -5.077 1.00 0.00 C ATOM 449 O PHE A 29 19.269 15.035 -3.955 1.00 0.00 O ATOM 450 CB PHE A 29 18.407 12.218 -5.063 1.00 0.00 C ATOM 451 CG PHE A 29 17.144 11.376 -5.039 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.704 10.686 -6.184 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.422 11.249 -3.839 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.552 9.886 -6.124 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.264 10.456 -3.776 1.00 0.00 C ATOM 456 CZ PHE A 29 14.828 9.780 -4.924 1.00 0.00 C ATOM 0 H PHE A 29 18.586 12.810 -7.486 1.00 0.00 H new ATOM 0 HA PHE A 29 17.306 14.070 -5.233 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.153 11.705 -5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.805 12.273 -4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.253 10.772 -7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.762 11.768 -2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.221 9.351 -7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.714 10.368 -2.851 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.933 9.176 -4.886 1.00 0.00 H new ATOM 466 N ASN A 30 20.435 14.801 -5.847 1.00 0.00 N ATOM 467 CA ASN A 30 21.561 15.621 -5.381 1.00 0.00 C ATOM 468 C ASN A 30 21.178 17.085 -5.126 1.00 0.00 C ATOM 469 O ASN A 30 21.980 17.834 -4.565 1.00 0.00 O ATOM 470 CB ASN A 30 22.798 15.525 -6.295 1.00 0.00 C ATOM 471 CG ASN A 30 22.759 16.367 -7.575 1.00 0.00 C ATOM 472 OD1 ASN A 30 21.762 16.981 -7.941 1.00 0.00 O ATOM 473 ND2 ASN A 30 23.870 16.423 -8.292 1.00 0.00 N ATOM 0 H ASN A 30 20.540 14.454 -6.800 1.00 0.00 H new ATOM 0 HA ASN A 30 21.837 15.190 -4.419 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.674 15.819 -5.718 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.937 14.481 -6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.897 16.976 -9.148 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.699 15.913 -7.988 1.00 0.00 H new ATOM 480 N GLN A 31 19.966 17.500 -5.518 1.00 0.00 N ATOM 481 CA GLN A 31 19.396 18.791 -5.174 1.00 0.00 C ATOM 482 C GLN A 31 19.266 18.944 -3.652 1.00 0.00 C ATOM 483 O GLN A 31 19.384 20.058 -3.138 1.00 0.00 O ATOM 484 CB GLN A 31 18.015 18.939 -5.835 1.00 0.00 C ATOM 485 CG GLN A 31 18.074 18.944 -7.370 1.00 0.00 C ATOM 486 CD GLN A 31 16.677 19.101 -7.973 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.285 20.179 -8.413 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.887 18.038 -7.988 1.00 0.00 N ATOM 0 H GLN A 31 19.349 16.929 -6.095 1.00 0.00 H new ATOM 0 HA GLN A 31 20.062 19.573 -5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.373 18.122 -5.506 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.553 19.865 -5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.714 19.758 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.524 18.016 -7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.223 17.148 -7.620 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.943 18.110 -8.367 1.00 0.00 H new ATOM 497 N PHE A 32 19.016 17.846 -2.929 1.00 0.00 N ATOM 498 CA PHE A 32 18.846 17.867 -1.482 1.00 0.00 C ATOM 499 C PHE A 32 20.233 17.897 -0.819 1.00 0.00 C ATOM 500 O PHE A 32 21.130 17.175 -1.268 1.00 0.00 O ATOM 501 CB PHE A 32 18.020 16.647 -1.046 1.00 0.00 C ATOM 502 CG PHE A 32 16.703 16.506 -1.796 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.724 17.517 -1.728 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.484 15.387 -2.621 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.557 17.421 -2.508 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.319 15.289 -3.395 1.00 0.00 C ATOM 507 CZ PHE A 32 14.363 16.314 -3.353 1.00 0.00 C ATOM 0 H PHE A 32 18.927 16.916 -3.339 1.00 0.00 H new ATOM 0 HA PHE A 32 18.303 18.758 -1.168 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.613 15.745 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.815 16.720 0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.869 18.366 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.220 14.597 -2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.809 18.199 -2.458 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.158 14.425 -4.023 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.478 16.253 -3.969 1.00 0.00 H new ATOM 517 N PRO A 33 20.428 18.663 0.270 1.00 0.00 N ATOM 518 CA PRO A 33 21.740 18.951 0.861 1.00 0.00 C ATOM 519 C PRO A 33 22.373 17.781 1.646 1.00 0.00 C ATOM 520 O PRO A 33 23.220 18.012 2.512 1.00 0.00 O ATOM 521 CB PRO A 33 21.499 20.196 1.731 1.00 0.00 C ATOM 522 CG PRO A 33 20.059 20.016 2.201 1.00 0.00 C ATOM 523 CD PRO A 33 19.393 19.424 0.963 1.00 0.00 C ATOM 0 HA PRO A 33 22.484 19.118 0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.194 20.243 2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 33 21.625 21.117 1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 33 19.991 19.348 3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 33 19.605 20.962 2.496 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.557 18.782 1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 33 18.993 20.210 0.323 1.00 0.00 H new ATOM 531 N GLY A 34 21.976 16.533 1.380 1.00 0.00 N ATOM 532 CA GLY A 34 22.449 15.359 2.108 1.00 0.00 C ATOM 533 C GLY A 34 22.553 14.097 1.265 1.00 0.00 C ATOM 534 O GLY A 34 22.912 13.057 1.813 1.00 0.00 O ATOM 0 H GLY A 34 21.308 16.310 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.429 15.580 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.775 15.169 2.944 1.00 0.00 H new ATOM 538 N PHE A 35 22.234 14.152 -0.032 1.00 0.00 N ATOM 539 CA PHE A 35 22.444 13.056 -0.963 1.00 0.00 C ATOM 540 C PHE A 35 23.915 12.646 -0.944 1.00 0.00 C ATOM 541 O PHE A 35 24.807 13.481 -0.753 1.00 0.00 O ATOM 542 CB PHE A 35 22.026 13.539 -2.359 1.00 0.00 C ATOM 543 CG PHE A 35 22.487 12.685 -3.531 1.00 0.00 C ATOM 544 CD1 PHE A 35 23.752 12.909 -4.111 1.00 0.00 C ATOM 545 CD2 PHE A 35 21.649 11.689 -4.065 1.00 0.00 C ATOM 546 CE1 PHE A 35 24.180 12.131 -5.200 1.00 0.00 C ATOM 547 CE2 PHE A 35 22.066 10.933 -5.173 1.00 0.00 C ATOM 548 CZ PHE A 35 23.339 11.141 -5.728 1.00 0.00 C ATOM 0 H PHE A 35 21.816 14.976 -0.464 1.00 0.00 H new ATOM 0 HA PHE A 35 21.850 12.186 -0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 35 20.938 13.602 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.408 14.550 -2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 35 24.395 13.682 -3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.682 11.505 -3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 35 25.157 12.296 -5.630 1.00 0.00 H new ATOM 0 HE2 PHE A 35 21.407 10.191 -5.599 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.670 10.539 -6.561 1.00 0.00 H new ATOM 558 N LYS A 36 24.159 11.367 -1.223 1.00 0.00 N ATOM 559 CA LYS A 36 25.502 10.825 -1.398 1.00 0.00 C ATOM 560 C LYS A 36 25.607 9.992 -2.667 1.00 0.00 C ATOM 561 O LYS A 36 26.561 10.210 -3.414 1.00 0.00 O ATOM 562 CB LYS A 36 25.948 9.984 -0.188 1.00 0.00 C ATOM 563 CG LYS A 36 25.984 10.769 1.132 1.00 0.00 C ATOM 564 CD LYS A 36 26.768 10.081 2.267 1.00 0.00 C ATOM 565 CE LYS A 36 26.422 8.598 2.498 1.00 0.00 C ATOM 566 NZ LYS A 36 27.314 7.671 1.750 1.00 0.00 N ATOM 0 H LYS A 36 23.421 10.672 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 36 26.169 11.683 -1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 36 25.272 9.136 -0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.940 9.577 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 36 26.425 11.748 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 36 24.961 10.939 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 36 27.833 10.159 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.590 10.628 3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 36 26.488 8.377 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 36 25.389 8.420 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 26.746 6.911 1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 27.809 8.195 1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 28.011 7.258 2.402 1.00 0.00 H new ATOM 580 N GLU A 37 24.698 9.040 -2.922 1.00 0.00 N ATOM 581 CA GLU A 37 24.923 8.094 -4.023 1.00 0.00 C ATOM 582 C GLU A 37 23.632 7.429 -4.521 1.00 0.00 C ATOM 583 O GLU A 37 22.586 7.522 -3.878 1.00 0.00 O ATOM 584 CB GLU A 37 25.943 7.026 -3.553 1.00 0.00 C ATOM 585 CG GLU A 37 26.846 6.525 -4.690 1.00 0.00 C ATOM 586 CD GLU A 37 27.919 5.552 -4.179 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.555 4.454 -3.699 1.00 0.00 O ATOM 588 OE2 GLU A 37 29.128 5.873 -4.255 1.00 0.00 O ATOM 0 H GLU A 37 23.831 8.906 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 37 25.315 8.652 -4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.563 7.446 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.405 6.181 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.237 6.030 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.327 7.375 -5.174 1.00 0.00 H new ATOM 595 N VAL A 38 23.735 6.707 -5.642 1.00 0.00 N ATOM 596 CA VAL A 38 22.710 5.862 -6.250 1.00 0.00 C ATOM 597 C VAL A 38 23.373 4.521 -6.590 1.00 0.00 C ATOM 598 O VAL A 38 24.561 4.487 -6.921 1.00 0.00 O ATOM 599 CB VAL A 38 22.167 6.528 -7.538 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.073 5.693 -8.230 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.613 7.930 -7.272 1.00 0.00 C ATOM 0 H VAL A 38 24.599 6.700 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 38 21.872 5.718 -5.568 1.00 0.00 H new ATOM 0 HB VAL A 38 23.028 6.595 -8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.732 6.211 -9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.478 4.719 -8.506 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.234 5.557 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.243 8.358 -8.204 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.797 7.868 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.404 8.564 -6.870 1.00 0.00 H new ATOM 611 N ARG A 39 22.606 3.427 -6.554 1.00 0.00 N ATOM 612 CA ARG A 39 23.013 2.119 -7.056 1.00 0.00 C ATOM 613 C ARG A 39 21.862 1.619 -7.917 1.00 0.00 C ATOM 614 O ARG A 39 20.773 1.357 -7.401 1.00 0.00 O ATOM 615 CB ARG A 39 23.363 1.123 -5.932 1.00 0.00 C ATOM 616 CG ARG A 39 24.540 1.555 -5.039 1.00 0.00 C ATOM 617 CD ARG A 39 24.076 2.333 -3.800 1.00 0.00 C ATOM 618 NE ARG A 39 25.211 2.931 -3.079 1.00 0.00 N ATOM 619 CZ ARG A 39 25.299 3.152 -1.764 1.00 0.00 C ATOM 620 NH1 ARG A 39 24.379 2.700 -0.917 1.00 0.00 N ATOM 621 NH2 ARG A 39 26.325 3.858 -1.319 1.00 0.00 N ATOM 0 H ARG A 39 21.663 3.431 -6.165 1.00 0.00 H new ATOM 0 HA ARG A 39 23.933 2.208 -7.633 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.483 0.978 -5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 39 23.599 0.158 -6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 39 25.097 0.673 -4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 39 25.225 2.174 -5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 39 23.382 3.117 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 39 23.532 1.665 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 39 26.016 3.206 -3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 39 23.581 2.170 -1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 39 24.472 2.884 0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 39 27.020 4.216 -1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 39 26.421 4.044 -0.321 1.00 0.00 H new ATOM 635 N LEU A 40 22.061 1.569 -9.231 1.00 0.00 N ATOM 636 CA LEU A 40 21.089 1.012 -10.164 1.00 0.00 C ATOM 637 C LEU A 40 21.107 -0.513 -10.070 1.00 0.00 C ATOM 638 O LEU A 40 21.980 -1.112 -9.438 1.00 0.00 O ATOM 639 CB LEU A 40 21.426 1.477 -11.602 1.00 0.00 C ATOM 640 CG LEU A 40 20.348 2.332 -12.295 1.00 0.00 C ATOM 641 CD1 LEU A 40 19.098 1.501 -12.591 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.973 3.599 -11.519 1.00 0.00 C ATOM 0 H LEU A 40 22.908 1.917 -9.681 1.00 0.00 H new ATOM 0 HA LEU A 40 20.089 1.364 -9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 40 22.354 2.049 -11.572 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.615 0.596 -12.215 1.00 0.00 H new ATOM 0 HG LEU A 40 20.793 2.665 -13.233 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.352 2.127 -13.080 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.360 0.670 -13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.690 1.113 -11.658 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.209 4.149 -12.068 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.587 3.324 -10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.856 4.226 -11.398 1.00 0.00 H new ATOM 654 N VAL A 41 20.170 -1.136 -10.779 1.00 0.00 N ATOM 655 CA VAL A 41 20.129 -2.569 -11.015 1.00 0.00 C ATOM 656 C VAL A 41 20.141 -2.683 -12.537 1.00 0.00 C ATOM 657 O VAL A 41 19.069 -2.722 -13.139 1.00 0.00 O ATOM 658 CB VAL A 41 18.929 -3.220 -10.292 1.00 0.00 C ATOM 659 CG1 VAL A 41 18.949 -4.744 -10.484 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.963 -2.922 -8.782 1.00 0.00 C ATOM 0 H VAL A 41 19.395 -0.638 -11.217 1.00 0.00 H new ATOM 0 HA VAL A 41 20.969 -3.125 -10.599 1.00 0.00 H new ATOM 0 HB VAL A 41 18.022 -2.799 -10.725 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.097 -5.187 -9.968 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.891 -4.978 -11.547 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.873 -5.150 -10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.107 -3.393 -8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.884 -3.318 -8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.923 -1.844 -8.623 1.00 0.00 H new ATOM 722 N HIS A 45 16.615 -1.931 -14.358 1.00 0.00 N ATOM 723 CA HIS A 45 16.524 -0.473 -14.499 1.00 0.00 C ATOM 724 C HIS A 45 15.256 0.173 -13.917 1.00 0.00 C ATOM 725 O HIS A 45 15.302 1.352 -13.568 1.00 0.00 O ATOM 726 CB HIS A 45 16.725 -0.029 -15.958 1.00 0.00 C ATOM 727 CG HIS A 45 17.958 -0.582 -16.628 1.00 0.00 C ATOM 728 ND1 HIS A 45 18.010 -1.666 -17.478 1.00 0.00 N ATOM 729 CD2 HIS A 45 19.226 -0.070 -16.552 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.278 -1.801 -17.903 1.00 0.00 C ATOM 731 NE2 HIS A 45 20.062 -0.848 -17.365 1.00 0.00 N ATOM 0 HA HIS A 45 17.344 -0.104 -13.884 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.851 -0.327 -16.537 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.771 1.060 -15.988 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.529 0.785 -15.967 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.620 -2.568 -18.582 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.062 -0.718 -17.518 1.00 0.00 H new ATOM 739 N ASP A 46 14.151 -0.562 -13.766 1.00 0.00 N ATOM 740 CA ASP A 46 12.885 -0.050 -13.242 1.00 0.00 C ATOM 741 C ASP A 46 12.895 0.030 -11.713 1.00 0.00 C ATOM 742 O ASP A 46 11.918 0.483 -11.116 1.00 0.00 O ATOM 743 CB ASP A 46 11.696 -0.885 -13.741 1.00 0.00 C ATOM 744 CG ASP A 46 11.505 -2.182 -12.949 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.409 -3.042 -12.976 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.443 -2.382 -12.320 1.00 0.00 O ATOM 0 H ASP A 46 14.112 -1.551 -14.011 1.00 0.00 H new ATOM 0 HA ASP A 46 12.767 0.965 -13.623 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.786 -0.288 -13.676 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.844 -1.126 -14.794 1.00 0.00 H new ATOM 751 N ILE A 47 13.997 -0.377 -11.077 1.00 0.00 N ATOM 752 CA ILE A 47 14.249 -0.300 -9.647 1.00 0.00 C ATOM 753 C ILE A 47 15.661 0.250 -9.412 1.00 0.00 C ATOM 754 O ILE A 47 16.515 0.177 -10.304 1.00 0.00 O ATOM 755 CB ILE A 47 14.089 -1.701 -9.025 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.279 -2.586 -9.470 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.712 -2.303 -9.366 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.056 -4.078 -9.324 1.00 0.00 C ATOM 0 H ILE A 47 14.780 -0.793 -11.582 1.00 0.00 H new ATOM 0 HA ILE A 47 13.533 0.371 -9.172 1.00 0.00 H new ATOM 0 HB ILE A 47 14.114 -1.638 -7.937 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.504 -2.368 -10.514 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.158 -2.306 -8.889 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.625 -3.292 -8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.926 -1.656 -8.977 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.610 -2.388 -10.448 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.944 -4.613 -9.661 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.863 -4.316 -8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.200 -4.379 -9.928 1.00 0.00 H new ATOM 770 N ALA A 48 15.920 0.765 -8.211 1.00 0.00 N ATOM 771 CA ALA A 48 17.210 1.335 -7.819 1.00 0.00 C ATOM 772 C ALA A 48 17.295 1.463 -6.299 1.00 0.00 C ATOM 773 O ALA A 48 16.310 1.241 -5.595 1.00 0.00 O ATOM 774 CB ALA A 48 17.370 2.729 -8.451 1.00 0.00 C ATOM 0 H ALA A 48 15.224 0.799 -7.466 1.00 0.00 H new ATOM 0 HA ALA A 48 18.004 0.675 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.331 3.153 -8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.326 2.643 -9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.566 3.379 -8.106 1.00 0.00 H new ATOM 780 N PHE A 49 18.455 1.894 -5.808 1.00 0.00 N ATOM 781 CA PHE A 49 18.678 2.292 -4.428 1.00 0.00 C ATOM 782 C PHE A 49 19.342 3.668 -4.446 1.00 0.00 C ATOM 783 O PHE A 49 20.070 3.990 -5.388 1.00 0.00 O ATOM 784 CB PHE A 49 19.575 1.283 -3.696 1.00 0.00 C ATOM 785 CG PHE A 49 18.975 -0.091 -3.464 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.998 -1.060 -4.487 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.432 -0.416 -2.204 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.473 -2.345 -4.256 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.922 -1.706 -1.969 1.00 0.00 C ATOM 790 CZ PHE A 49 17.943 -2.670 -2.995 1.00 0.00 C ATOM 0 H PHE A 49 19.293 1.977 -6.384 1.00 0.00 H new ATOM 0 HA PHE A 49 17.727 2.325 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.496 1.164 -4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.851 1.706 -2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.420 -0.816 -5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.408 0.325 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.477 -3.081 -5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.514 -1.957 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.552 -3.660 -2.813 1.00 0.00 H new ATOM 800 N VAL A 50 19.126 4.470 -3.406 1.00 0.00 N ATOM 801 CA VAL A 50 19.692 5.810 -3.250 1.00 0.00 C ATOM 802 C VAL A 50 20.149 5.930 -1.791 1.00 0.00 C ATOM 803 O VAL A 50 19.544 5.317 -0.911 1.00 0.00 O ATOM 804 CB VAL A 50 18.642 6.879 -3.654 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.219 8.301 -3.632 1.00 0.00 C ATOM 806 CG2 VAL A 50 18.059 6.634 -5.057 1.00 0.00 C ATOM 0 H VAL A 50 18.533 4.197 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 50 20.548 5.977 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 50 17.853 6.787 -2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.445 9.012 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.569 8.536 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.052 8.366 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.330 7.411 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.862 6.658 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.572 5.659 -5.083 1.00 0.00 H new ATOM 816 N GLU A 51 21.208 6.693 -1.516 1.00 0.00 N ATOM 817 CA GLU A 51 21.819 6.799 -0.196 1.00 0.00 C ATOM 818 C GLU A 51 22.159 8.257 0.114 1.00 0.00 C ATOM 819 O GLU A 51 22.567 9.020 -0.770 1.00 0.00 O ATOM 820 CB GLU A 51 23.059 5.892 -0.133 1.00 0.00 C ATOM 821 CG GLU A 51 23.793 5.999 1.213 1.00 0.00 C ATOM 822 CD GLU A 51 24.907 4.956 1.331 1.00 0.00 C ATOM 823 OE1 GLU A 51 24.617 3.771 1.601 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.083 5.303 1.081 1.00 0.00 O ATOM 0 H GLU A 51 21.672 7.265 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 51 21.116 6.463 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.758 4.858 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.743 6.159 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.216 6.998 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.081 5.866 2.028 1.00 0.00 H new ATOM 831 N PHE A 52 21.995 8.595 1.396 1.00 0.00 N ATOM 832 CA PHE A 52 22.066 9.917 1.996 1.00 0.00 C ATOM 833 C PHE A 52 22.966 9.887 3.232 1.00 0.00 C ATOM 834 O PHE A 52 23.338 8.819 3.727 1.00 0.00 O ATOM 835 CB PHE A 52 20.645 10.338 2.406 1.00 0.00 C ATOM 836 CG PHE A 52 19.867 11.012 1.298 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.347 10.274 0.217 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.703 12.406 1.336 1.00 0.00 C ATOM 839 CE1 PHE A 52 18.709 10.944 -0.841 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.056 13.073 0.289 1.00 0.00 C ATOM 841 CZ PHE A 52 18.583 12.344 -0.813 1.00 0.00 C ATOM 0 H PHE A 52 21.791 7.882 2.097 1.00 0.00 H new ATOM 0 HA PHE A 52 22.482 10.626 1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.096 9.457 2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.708 11.015 3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.438 9.198 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 52 20.079 12.967 2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.315 10.383 -1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.921 14.144 0.329 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.121 12.860 -1.642 1.00 0.00 H new ATOM 851 N THR A 53 23.296 11.070 3.749 1.00 0.00 N ATOM 852 CA THR A 53 24.030 11.237 4.992 1.00 0.00 C ATOM 853 C THR A 53 23.148 10.888 6.191 1.00 0.00 C ATOM 854 O THR A 53 23.585 10.114 7.043 1.00 0.00 O ATOM 855 CB THR A 53 24.555 12.678 5.094 1.00 0.00 C ATOM 856 OG1 THR A 53 25.385 12.980 3.987 1.00 0.00 O ATOM 857 CG2 THR A 53 25.338 12.882 6.395 1.00 0.00 C ATOM 0 H THR A 53 23.053 11.954 3.302 1.00 0.00 H new ATOM 0 HA THR A 53 24.880 10.555 4.997 1.00 0.00 H new ATOM 0 HB THR A 53 23.696 13.350 5.093 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.835 13.070 3.181 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.700 13.909 6.445 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.687 12.685 7.246 1.00 0.00 H new ATOM 0 HG23 THR A 53 26.186 12.197 6.421 1.00 0.00 H new ATOM 865 N THR A 54 21.928 11.432 6.270 1.00 0.00 N ATOM 866 CA THR A 54 21.067 11.212 7.422 1.00 0.00 C ATOM 867 C THR A 54 19.703 10.718 6.973 1.00 0.00 C ATOM 868 O THR A 54 19.239 10.974 5.858 1.00 0.00 O ATOM 869 CB THR A 54 20.940 12.464 8.309 1.00 0.00 C ATOM 870 OG1 THR A 54 20.266 13.491 7.622 1.00 0.00 O ATOM 871 CG2 THR A 54 22.271 13.020 8.818 1.00 0.00 C ATOM 0 H THR A 54 21.521 12.026 5.547 1.00 0.00 H new ATOM 0 HA THR A 54 21.535 10.443 8.037 1.00 0.00 H new ATOM 0 HB THR A 54 20.376 12.131 9.180 1.00 0.00 H new ATOM 0 HG1 THR A 54 20.799 13.772 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.086 13.900 9.434 1.00 0.00 H new ATOM 0 HG22 THR A 54 22.779 12.261 9.413 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.898 13.296 7.970 1.00 0.00 H new ATOM 879 N GLU A 55 19.064 10.037 7.911 1.00 0.00 N ATOM 880 CA GLU A 55 17.719 9.491 7.793 1.00 0.00 C ATOM 881 C GLU A 55 16.681 10.604 7.583 1.00 0.00 C ATOM 882 O GLU A 55 15.648 10.386 6.953 1.00 0.00 O ATOM 883 CB GLU A 55 17.359 8.666 9.044 1.00 0.00 C ATOM 884 CG GLU A 55 18.424 7.654 9.511 1.00 0.00 C ATOM 885 CD GLU A 55 19.377 8.229 10.579 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.233 9.078 10.241 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.280 7.826 11.761 1.00 0.00 O ATOM 0 H GLU A 55 19.488 9.840 8.818 1.00 0.00 H new ATOM 0 HA GLU A 55 17.702 8.839 6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.156 9.355 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.434 8.125 8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.927 6.772 9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.007 7.326 8.651 1.00 0.00 H new ATOM 894 N LEU A 56 16.944 11.805 8.111 1.00 0.00 N ATOM 895 CA LEU A 56 16.054 12.953 7.960 1.00 0.00 C ATOM 896 C LEU A 56 16.110 13.463 6.520 1.00 0.00 C ATOM 897 O LEU A 56 15.082 13.819 5.943 1.00 0.00 O ATOM 898 CB LEU A 56 16.457 14.086 8.921 1.00 0.00 C ATOM 899 CG LEU A 56 15.868 13.962 10.340 1.00 0.00 C ATOM 900 CD1 LEU A 56 16.335 12.708 11.091 1.00 0.00 C ATOM 901 CD2 LEU A 56 16.249 15.200 11.159 1.00 0.00 C ATOM 0 H LEU A 56 17.783 12.005 8.656 1.00 0.00 H new ATOM 0 HA LEU A 56 15.039 12.636 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.544 14.114 8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.142 15.038 8.493 1.00 0.00 H new ATOM 0 HG LEU A 56 14.788 13.880 10.221 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.881 12.687 12.082 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.036 11.819 10.536 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.420 12.726 11.190 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.833 15.114 12.163 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.335 15.275 11.221 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.850 16.092 10.676 1.00 0.00 H new ATOM 913 N GLN A 57 17.308 13.506 5.936 1.00 0.00 N ATOM 914 CA GLN A 57 17.500 14.042 4.598 1.00 0.00 C ATOM 915 C GLN A 57 16.930 13.070 3.563 1.00 0.00 C ATOM 916 O GLN A 57 16.242 13.519 2.644 1.00 0.00 O ATOM 917 CB GLN A 57 18.986 14.346 4.367 1.00 0.00 C ATOM 918 CG GLN A 57 19.472 15.498 5.267 1.00 0.00 C ATOM 919 CD GLN A 57 20.994 15.584 5.343 1.00 0.00 C ATOM 920 OE1 GLN A 57 21.667 14.577 5.549 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.570 16.765 5.182 1.00 0.00 N ATOM 0 H GLN A 57 18.164 13.171 6.378 1.00 0.00 H new ATOM 0 HA GLN A 57 16.959 14.982 4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.577 13.452 4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.147 14.607 3.321 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.077 16.441 4.888 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.069 15.364 6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.998 17.592 5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.586 16.848 5.228 1.00 0.00 H new ATOM 930 N SER A 58 17.127 11.755 3.729 1.00 0.00 N ATOM 931 CA SER A 58 16.473 10.776 2.868 1.00 0.00 C ATOM 932 C SER A 58 14.955 10.853 3.033 1.00 0.00 C ATOM 933 O SER A 58 14.249 10.810 2.029 1.00 0.00 O ATOM 934 CB SER A 58 16.972 9.362 3.164 1.00 0.00 C ATOM 935 OG SER A 58 16.946 9.118 4.552 1.00 0.00 O ATOM 0 H SER A 58 17.730 11.353 4.447 1.00 0.00 H new ATOM 0 HA SER A 58 16.726 11.012 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.348 8.633 2.647 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.986 9.239 2.785 1.00 0.00 H new ATOM 0 HG SER A 58 16.687 8.187 4.716 1.00 0.00 H new ATOM 941 N ASN A 59 14.442 11.010 4.261 1.00 0.00 N ATOM 942 CA ASN A 59 13.009 11.179 4.511 1.00 0.00 C ATOM 943 C ASN A 59 12.437 12.340 3.705 1.00 0.00 C ATOM 944 O ASN A 59 11.429 12.167 3.020 1.00 0.00 O ATOM 945 CB ASN A 59 12.720 11.344 6.016 1.00 0.00 C ATOM 946 CG ASN A 59 11.461 12.158 6.323 1.00 0.00 C ATOM 947 OD1 ASN A 59 11.532 13.194 6.976 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.293 11.735 5.869 1.00 0.00 N ATOM 0 H ASN A 59 15.011 11.023 5.107 1.00 0.00 H new ATOM 0 HA ASN A 59 12.507 10.271 4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.621 10.357 6.467 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.576 11.826 6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.447 12.271 6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.239 10.873 5.326 1.00 0.00 H new ATOM 955 N ALA A 60 13.071 13.506 3.763 1.00 0.00 N ATOM 956 CA ALA A 60 12.552 14.664 3.054 1.00 0.00 C ATOM 957 C ALA A 60 12.683 14.505 1.537 1.00 0.00 C ATOM 958 O ALA A 60 11.785 14.902 0.797 1.00 0.00 O ATOM 959 CB ALA A 60 13.225 15.933 3.561 1.00 0.00 C ATOM 0 H ALA A 60 13.931 13.671 4.285 1.00 0.00 H new ATOM 0 HA ALA A 60 11.485 14.745 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.829 16.795 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.028 16.048 4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.300 15.865 3.396 1.00 0.00 H new ATOM 965 N ALA A 61 13.760 13.883 1.057 1.00 0.00 N ATOM 966 CA ALA A 61 13.910 13.587 -0.362 1.00 0.00 C ATOM 967 C ALA A 61 12.831 12.608 -0.842 1.00 0.00 C ATOM 968 O ALA A 61 12.252 12.791 -1.913 1.00 0.00 O ATOM 969 CB ALA A 61 15.298 13.010 -0.622 1.00 0.00 C ATOM 0 H ALA A 61 14.542 13.575 1.635 1.00 0.00 H new ATOM 0 HA ALA A 61 13.792 14.515 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.407 12.790 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.055 13.734 -0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.425 12.093 -0.046 1.00 0.00 H new ATOM 975 N LYS A 62 12.539 11.583 -0.036 1.00 0.00 N ATOM 976 CA LYS A 62 11.478 10.615 -0.273 1.00 0.00 C ATOM 977 C LYS A 62 10.151 11.351 -0.371 1.00 0.00 C ATOM 978 O LYS A 62 9.446 11.184 -1.362 1.00 0.00 O ATOM 979 CB LYS A 62 11.548 9.541 0.837 1.00 0.00 C ATOM 980 CG LYS A 62 10.407 8.515 0.939 1.00 0.00 C ATOM 981 CD LYS A 62 9.127 9.052 1.609 1.00 0.00 C ATOM 982 CE LYS A 62 8.276 7.872 2.106 1.00 0.00 C ATOM 983 NZ LYS A 62 6.901 8.278 2.485 1.00 0.00 N ATOM 0 H LYS A 62 13.054 11.403 0.826 1.00 0.00 H new ATOM 0 HA LYS A 62 11.592 10.088 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.479 8.989 0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.616 10.058 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.159 8.165 -0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.761 7.650 1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.386 9.704 2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.557 9.652 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.224 7.113 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.765 7.413 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.421 7.483 2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.945 9.088 3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.371 8.548 1.632 1.00 0.00 H new ATOM 997 N GLU A 63 9.805 12.180 0.616 1.00 0.00 N ATOM 998 CA GLU A 63 8.503 12.842 0.619 1.00 0.00 C ATOM 999 C GLU A 63 8.373 13.796 -0.579 1.00 0.00 C ATOM 1000 O GLU A 63 7.288 13.937 -1.147 1.00 0.00 O ATOM 1001 CB GLU A 63 8.224 13.491 1.990 1.00 0.00 C ATOM 1002 CG GLU A 63 8.565 14.977 2.132 1.00 0.00 C ATOM 1003 CD GLU A 63 8.169 15.518 3.516 1.00 0.00 C ATOM 1004 OE1 GLU A 63 7.015 15.977 3.685 1.00 0.00 O ATOM 1005 OE2 GLU A 63 9.007 15.513 4.445 1.00 0.00 O ATOM 0 H GLU A 63 10.401 12.406 1.413 1.00 0.00 H new ATOM 0 HA GLU A 63 7.715 12.101 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.166 13.362 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.783 12.940 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.634 15.122 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.050 15.545 1.357 1.00 0.00 H new ATOM 1012 N ALA A 64 9.486 14.416 -0.988 1.00 0.00 N ATOM 1013 CA ALA A 64 9.538 15.327 -2.122 1.00 0.00 C ATOM 1014 C ALA A 64 9.352 14.613 -3.466 1.00 0.00 C ATOM 1015 O ALA A 64 8.629 15.131 -4.319 1.00 0.00 O ATOM 1016 CB ALA A 64 10.880 16.067 -2.124 1.00 0.00 C ATOM 0 H ALA A 64 10.388 14.292 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 64 8.711 16.028 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.918 16.749 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.984 16.634 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.693 15.345 -2.201 1.00 0.00 H new ATOM 1022 N LEU A 65 9.993 13.453 -3.674 1.00 0.00 N ATOM 1023 CA LEU A 65 10.057 12.814 -4.994 1.00 0.00 C ATOM 1024 C LEU A 65 9.179 11.568 -5.128 1.00 0.00 C ATOM 1025 O LEU A 65 9.110 11.013 -6.226 1.00 0.00 O ATOM 1026 CB LEU A 65 11.516 12.510 -5.396 1.00 0.00 C ATOM 1027 CG LEU A 65 12.420 13.735 -5.628 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.786 13.270 -6.147 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.846 14.745 -6.633 1.00 0.00 C ATOM 0 H LEU A 65 10.477 12.937 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 65 9.642 13.542 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.966 11.893 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.504 11.914 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 65 12.500 14.239 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.427 14.136 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.249 12.611 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.655 12.732 -7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.537 15.580 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.706 14.258 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.887 15.114 -6.270 1.00 0.00 H new ATOM 1041 N GLN A 66 8.480 11.117 -4.081 1.00 0.00 N ATOM 1042 CA GLN A 66 7.477 10.067 -4.261 1.00 0.00 C ATOM 1043 C GLN A 66 6.453 10.537 -5.305 1.00 0.00 C ATOM 1044 O GLN A 66 5.884 11.627 -5.189 1.00 0.00 O ATOM 1045 CB GLN A 66 6.772 9.701 -2.941 1.00 0.00 C ATOM 1046 CG GLN A 66 7.494 8.582 -2.177 1.00 0.00 C ATOM 1047 CD GLN A 66 6.691 8.087 -0.971 1.00 0.00 C ATOM 1048 OE1 GLN A 66 6.094 8.861 -0.225 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.667 6.788 -0.724 1.00 0.00 N ATOM 0 H GLN A 66 8.587 11.453 -3.124 1.00 0.00 H new ATOM 0 HA GLN A 66 7.981 9.164 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.710 10.587 -2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.749 9.389 -3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.682 7.747 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.465 8.944 -1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.161 6.142 -1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.155 6.432 0.083 1.00 0.00 H new ATOM 1058 N GLY A 67 6.226 9.707 -6.323 1.00 0.00 N ATOM 1059 CA GLY A 67 5.302 9.963 -7.419 1.00 0.00 C ATOM 1060 C GLY A 67 5.893 10.832 -8.536 1.00 0.00 C ATOM 1061 O GLY A 67 5.164 11.189 -9.463 1.00 0.00 O ATOM 0 H GLY A 67 6.699 8.807 -6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.983 9.011 -7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.411 10.451 -7.024 1.00 0.00 H new ATOM 1065 N PHE A 68 7.179 11.200 -8.473 1.00 0.00 N ATOM 1066 CA PHE A 68 7.801 12.100 -9.439 1.00 0.00 C ATOM 1067 C PHE A 68 7.948 11.383 -10.779 1.00 0.00 C ATOM 1068 O PHE A 68 8.606 10.346 -10.850 1.00 0.00 O ATOM 1069 CB PHE A 68 9.167 12.563 -8.914 1.00 0.00 C ATOM 1070 CG PHE A 68 9.919 13.491 -9.848 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.682 14.879 -9.805 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.860 12.971 -10.756 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.385 15.741 -10.666 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.559 13.833 -11.619 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.323 15.218 -11.574 1.00 0.00 C ATOM 0 H PHE A 68 7.816 10.877 -7.745 1.00 0.00 H new ATOM 0 HA PHE A 68 7.173 12.980 -9.581 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.023 13.068 -7.959 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.784 11.685 -8.720 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.960 15.282 -9.110 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.046 11.908 -10.790 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.204 16.805 -10.630 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.278 13.431 -12.317 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.862 15.880 -12.236 1.00 0.00 H new ATOM 1085 N LYS A 69 7.362 11.922 -11.850 1.00 0.00 N ATOM 1086 CA LYS A 69 7.578 11.399 -13.201 1.00 0.00 C ATOM 1087 C LYS A 69 9.044 11.594 -13.571 1.00 0.00 C ATOM 1088 O LYS A 69 9.467 12.720 -13.838 1.00 0.00 O ATOM 1089 CB LYS A 69 6.676 12.086 -14.247 1.00 0.00 C ATOM 1090 CG LYS A 69 5.455 11.245 -14.637 1.00 0.00 C ATOM 1091 CD LYS A 69 4.426 11.061 -13.514 1.00 0.00 C ATOM 1092 CE LYS A 69 3.404 9.974 -13.881 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.464 10.383 -14.956 1.00 0.00 N ATOM 0 H LYS A 69 6.732 12.723 -11.808 1.00 0.00 H new ATOM 0 HA LYS A 69 7.317 10.341 -13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.338 13.044 -13.853 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.263 12.298 -15.140 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.964 11.714 -15.490 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.796 10.263 -14.965 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.935 10.790 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.910 12.003 -13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.937 9.077 -14.197 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.833 9.708 -12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.533 9.952 -14.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.370 11.419 -14.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.830 10.065 -15.876 1.00 0.00 H new ATOM 1107 N ILE A 70 9.808 10.502 -13.601 1.00 0.00 N ATOM 1108 CA ILE A 70 11.157 10.531 -14.163 1.00 0.00 C ATOM 1109 C ILE A 70 10.957 10.706 -15.677 1.00 0.00 C ATOM 1110 O ILE A 70 11.607 11.546 -16.298 1.00 0.00 O ATOM 1111 CB ILE A 70 11.929 9.257 -13.784 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.091 9.148 -12.255 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.317 9.281 -14.437 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.487 7.742 -11.802 1.00 0.00 C ATOM 0 H ILE A 70 9.517 9.591 -13.245 1.00 0.00 H new ATOM 0 HA ILE A 70 11.767 11.345 -13.771 1.00 0.00 H new ATOM 0 HB ILE A 70 11.364 8.396 -14.140 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.847 9.859 -11.922 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.155 9.430 -11.774 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.862 8.377 -14.167 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.209 9.329 -15.521 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.868 10.155 -14.089 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.587 7.724 -10.717 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.719 7.031 -12.107 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.438 7.467 -12.259 1.00 0.00 H new ATOM 1126 N THR A 71 9.995 9.970 -16.245 1.00 0.00 N ATOM 1127 CA THR A 71 9.482 10.137 -17.597 1.00 0.00 C ATOM 1128 C THR A 71 7.953 10.057 -17.493 1.00 0.00 C ATOM 1129 O THR A 71 7.470 9.567 -16.470 1.00 0.00 O ATOM 1130 CB THR A 71 10.078 9.083 -18.547 1.00 0.00 C ATOM 1131 OG1 THR A 71 9.925 7.783 -18.018 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.569 9.317 -18.812 1.00 0.00 C ATOM 0 H THR A 71 9.536 9.208 -15.746 1.00 0.00 H new ATOM 0 HA THR A 71 9.771 11.097 -18.025 1.00 0.00 H new ATOM 0 HB THR A 71 9.531 9.178 -19.485 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.309 7.130 -18.639 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.944 8.548 -19.487 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.708 10.298 -19.266 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.117 9.272 -17.871 1.00 0.00 H new ATOM 1140 N PRO A 72 7.180 10.533 -18.492 1.00 0.00 N ATOM 1141 CA PRO A 72 5.726 10.710 -18.410 1.00 0.00 C ATOM 1142 C PRO A 72 4.896 9.552 -17.844 1.00 0.00 C ATOM 1143 O PRO A 72 3.794 9.801 -17.351 1.00 0.00 O ATOM 1144 CB PRO A 72 5.276 11.060 -19.829 1.00 0.00 C ATOM 1145 CG PRO A 72 6.475 11.824 -20.379 1.00 0.00 C ATOM 1146 CD PRO A 72 7.659 11.088 -19.755 1.00 0.00 C ATOM 0 HA PRO A 72 5.539 11.489 -17.671 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.059 10.168 -20.417 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.372 11.669 -19.829 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.509 11.795 -21.468 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.453 12.874 -20.089 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.017 10.298 -20.415 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.495 11.768 -19.588 1.00 0.00 H new ATOM 1154 N THR A 73 5.394 8.316 -17.872 1.00 0.00 N ATOM 1155 CA THR A 73 4.667 7.116 -17.474 1.00 0.00 C ATOM 1156 C THR A 73 5.399 6.336 -16.369 1.00 0.00 C ATOM 1157 O THR A 73 5.005 5.214 -16.044 1.00 0.00 O ATOM 1158 CB THR A 73 4.401 6.276 -18.743 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.576 6.198 -19.536 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.294 6.904 -19.600 1.00 0.00 C ATOM 0 H THR A 73 6.345 8.119 -18.183 1.00 0.00 H new ATOM 0 HA THR A 73 3.711 7.388 -17.026 1.00 0.00 H new ATOM 0 HB THR A 73 4.093 5.283 -18.416 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.396 5.662 -20.336 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.128 6.291 -20.486 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.373 6.960 -19.020 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.594 7.907 -19.903 1.00 0.00 H new ATOM 1168 N HIS A 74 6.434 6.925 -15.758 1.00 0.00 N ATOM 1169 CA HIS A 74 7.273 6.284 -14.753 1.00 0.00 C ATOM 1170 C HIS A 74 7.371 7.209 -13.546 1.00 0.00 C ATOM 1171 O HIS A 74 8.365 7.914 -13.342 1.00 0.00 O ATOM 1172 CB HIS A 74 8.627 5.885 -15.351 1.00 0.00 C ATOM 1173 CG HIS A 74 8.504 4.802 -16.398 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.648 3.446 -16.195 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.211 4.976 -17.725 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.460 2.825 -17.370 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.187 3.717 -18.340 1.00 0.00 N ATOM 0 H HIS A 74 6.714 7.885 -15.958 1.00 0.00 H new ATOM 0 HA HIS A 74 6.831 5.348 -14.411 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.097 6.763 -15.795 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.285 5.541 -14.553 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.861 2.993 -15.306 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.030 5.922 -18.214 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.520 1.757 -17.517 1.00 0.00 H new ATOM 1185 N ALA A 75 6.274 7.246 -12.784 1.00 0.00 N ATOM 1186 CA ALA A 75 6.211 7.887 -11.481 1.00 0.00 C ATOM 1187 C ALA A 75 7.089 7.095 -10.511 1.00 0.00 C ATOM 1188 O ALA A 75 6.737 5.978 -10.126 1.00 0.00 O ATOM 1189 CB ALA A 75 4.758 7.926 -10.989 1.00 0.00 C ATOM 0 H ALA A 75 5.391 6.821 -13.067 1.00 0.00 H new ATOM 0 HA ALA A 75 6.573 8.913 -11.545 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.717 8.408 -10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.149 8.489 -11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.374 6.909 -10.908 1.00 0.00 H new ATOM 1195 N MET A 76 8.223 7.678 -10.133 1.00 0.00 N ATOM 1196 CA MET A 76 9.159 7.170 -9.147 1.00 0.00 C ATOM 1197 C MET A 76 8.445 6.758 -7.861 1.00 0.00 C ATOM 1198 O MET A 76 7.890 7.606 -7.160 1.00 0.00 O ATOM 1199 CB MET A 76 10.164 8.290 -8.847 1.00 0.00 C ATOM 1200 CG MET A 76 11.301 7.857 -7.921 1.00 0.00 C ATOM 1201 SD MET A 76 12.311 9.231 -7.308 1.00 0.00 S ATOM 1202 CE MET A 76 12.964 9.948 -8.837 1.00 0.00 C ATOM 0 H MET A 76 8.526 8.567 -10.531 1.00 0.00 H new ATOM 0 HA MET A 76 9.659 6.284 -9.538 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.587 8.649 -9.785 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.636 9.129 -8.394 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.880 7.321 -7.071 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.943 7.156 -8.454 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.614 10.789 -8.596 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.533 9.193 -9.379 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.138 10.294 -9.458 1.00 0.00 H new ATOM 1212 N LYS A 77 8.470 5.471 -7.528 1.00 0.00 N ATOM 1213 CA LYS A 77 8.039 5.009 -6.217 1.00 0.00 C ATOM 1214 C LYS A 77 9.305 4.953 -5.372 1.00 0.00 C ATOM 1215 O LYS A 77 10.372 4.595 -5.876 1.00 0.00 O ATOM 1216 CB LYS A 77 7.418 3.619 -6.314 1.00 0.00 C ATOM 1217 CG LYS A 77 6.018 3.595 -6.940 1.00 0.00 C ATOM 1218 CD LYS A 77 5.455 2.165 -6.963 1.00 0.00 C ATOM 1219 CE LYS A 77 5.000 1.712 -5.565 1.00 0.00 C ATOM 1220 NZ LYS A 77 4.738 0.253 -5.497 1.00 0.00 N ATOM 0 H LYS A 77 8.786 4.729 -8.152 1.00 0.00 H new ATOM 0 HA LYS A 77 7.285 5.669 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.077 2.980 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.364 3.188 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.350 4.244 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.062 3.990 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.613 2.116 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.215 1.480 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.765 1.975 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.096 2.253 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.435 -0.001 -4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.989 0.003 -6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.607 -0.267 -5.735 1.00 0.00 H new ATOM 1234 N ILE A 78 9.180 5.281 -4.090 1.00 0.00 N ATOM 1235 CA ILE A 78 10.285 5.335 -3.141 1.00 0.00 C ATOM 1236 C ILE A 78 9.777 4.668 -1.867 1.00 0.00 C ATOM 1237 O ILE A 78 8.614 4.851 -1.495 1.00 0.00 O ATOM 1238 CB ILE A 78 10.714 6.798 -2.853 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.851 7.667 -4.124 1.00 0.00 C ATOM 1240 CG2 ILE A 78 12.017 6.843 -2.031 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.197 9.128 -3.834 1.00 0.00 C ATOM 0 H ILE A 78 8.282 5.523 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 78 11.164 4.829 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 78 9.903 7.232 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.623 7.240 -4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.916 7.628 -4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.294 7.881 -1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.866 6.331 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.815 6.349 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.277 9.676 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.414 9.572 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.147 9.178 -3.302 1.00 0.00 H new ATOM 1253 N THR A 79 10.667 3.967 -1.182 1.00 0.00 N ATOM 1254 CA THR A 79 10.473 3.338 0.113 1.00 0.00 C ATOM 1255 C THR A 79 11.813 3.430 0.853 1.00 0.00 C ATOM 1256 O THR A 79 12.861 3.581 0.216 1.00 0.00 O ATOM 1257 CB THR A 79 10.021 1.872 -0.079 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.433 1.320 -1.324 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.495 1.754 -0.039 1.00 0.00 C ATOM 0 H THR A 79 11.609 3.813 -1.542 1.00 0.00 H new ATOM 0 HA THR A 79 9.695 3.834 0.693 1.00 0.00 H new ATOM 0 HB THR A 79 10.490 1.326 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.284 1.723 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.207 0.712 -0.177 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.128 2.108 0.924 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.062 2.358 -0.836 1.00 0.00 H new ATOM 1267 N PHE A 80 11.817 3.344 2.182 1.00 0.00 N ATOM 1268 CA PHE A 80 13.069 3.230 2.919 1.00 0.00 C ATOM 1269 C PHE A 80 13.616 1.818 2.713 1.00 0.00 C ATOM 1270 O PHE A 80 12.874 0.841 2.842 1.00 0.00 O ATOM 1271 CB PHE A 80 12.850 3.539 4.404 1.00 0.00 C ATOM 1272 CG PHE A 80 12.457 4.982 4.662 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.424 6.001 4.577 1.00 0.00 C ATOM 1274 CD2 PHE A 80 11.121 5.312 4.953 1.00 0.00 C ATOM 1275 CE1 PHE A 80 13.058 7.344 4.782 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.756 6.650 5.172 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.722 7.665 5.084 1.00 0.00 C ATOM 0 H PHE A 80 10.978 3.351 2.762 1.00 0.00 H new ATOM 0 HA PHE A 80 13.794 3.955 2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 80 12.073 2.882 4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.764 3.314 4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.451 5.751 4.354 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.374 4.534 5.008 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.800 8.125 4.708 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.732 6.898 5.408 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.439 8.694 5.248 1.00 0.00 H new ATOM 1287 N ALA A 81 14.904 1.707 2.382 1.00 0.00 N ATOM 1288 CA ALA A 81 15.581 0.416 2.382 1.00 0.00 C ATOM 1289 C ALA A 81 15.789 0.007 3.845 1.00 0.00 C ATOM 1290 O ALA A 81 15.774 0.869 4.730 1.00 0.00 O ATOM 1291 CB ALA A 81 16.914 0.518 1.631 1.00 0.00 C ATOM 0 H ALA A 81 15.494 2.494 2.112 1.00 0.00 H new ATOM 0 HA ALA A 81 14.985 -0.340 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.411 -0.452 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.729 0.824 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.551 1.255 2.119 1.00 0.00 H new