USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 99 ASN : amide:sc= -1.61 K(o=-1.8,f=-0.19) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= -0.164 USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 75 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0594) USER MOD Set 3.1: A 29 CYS SG : rot 96:sc= -1.96! USER MOD Set 3.2: A 115 MET CE :methyl -136:sc= -0.613 (180deg=-2.85!) USER MOD Set 4.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 11 ASN : amide:sc= -0.114 K(o=-0.11,f=0.76) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0.00527 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 52 MET CE :methyl -160:sc= -0.117 (180deg=-0.983) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc=-0.00546 X(o=-0.0055,f=0) USER MOD Single : A 65 ASN : amide:sc=-0.00365 X(o=-0.0037,f=-0.42) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -179:sc= -0.174 (180deg=-0.18) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.04 USER MOD Single : A 96 CYS SG : rot 61:sc= 0.486 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.007 X(o=-0.007,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl 160:sc= -0.0661 (180deg=-0.558) USER MOD Single : A 118 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.0043) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N SER A 2 -0.741 -21.651 6.083 1.00 0.00 N ATOM 84 CA SER A 2 -1.087 -20.732 5.005 1.00 0.00 C ATOM 85 C SER A 2 -0.370 -19.396 5.178 1.00 0.00 C ATOM 86 O SER A 2 -0.684 -18.600 6.063 1.00 0.00 O ATOM 87 CB SER A 2 -2.600 -20.510 4.962 1.00 0.00 C ATOM 88 OG SER A 2 -2.939 -19.485 4.044 1.00 0.00 O ATOM 0 HA SER A 2 -0.765 -21.178 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.099 -21.437 4.678 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.960 -20.246 5.956 1.00 0.00 H new ATOM 0 HG SER A 2 -3.911 -19.363 4.034 1.00 0.00 H new ATOM 94 N PRO A 3 0.620 -19.141 4.311 1.00 0.00 N ATOM 95 CA PRO A 3 1.334 -17.867 4.444 1.00 0.00 C ATOM 96 C PRO A 3 0.468 -16.674 4.055 1.00 0.00 C ATOM 97 O PRO A 3 -0.563 -16.829 3.400 1.00 0.00 O ATOM 98 CB PRO A 3 2.508 -18.015 3.473 1.00 0.00 C ATOM 99 CG PRO A 3 2.040 -19.004 2.461 1.00 0.00 C ATOM 100 CD PRO A 3 1.138 -19.955 3.198 1.00 0.00 C ATOM 0 HA PRO A 3 1.636 -17.675 5.473 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.760 -17.062 3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.404 -18.366 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.506 -18.509 1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.882 -19.532 2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.334 -20.322 2.560 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.683 -20.828 3.558 1.00 0.00 H new ATOM 108 N PHE A 4 0.893 -15.483 4.463 1.00 0.00 N ATOM 109 CA PHE A 4 0.156 -14.262 4.157 1.00 0.00 C ATOM 110 C PHE A 4 1.082 -13.198 3.575 1.00 0.00 C ATOM 111 O PHE A 4 2.306 -13.323 3.636 1.00 0.00 O ATOM 112 CB PHE A 4 -0.528 -13.725 5.416 1.00 0.00 C ATOM 113 CG PHE A 4 0.428 -13.136 6.413 1.00 0.00 C ATOM 114 CD1 PHE A 4 1.191 -13.956 7.229 1.00 0.00 C ATOM 115 CD2 PHE A 4 0.565 -11.762 6.533 1.00 0.00 C ATOM 116 CE1 PHE A 4 2.072 -13.416 8.148 1.00 0.00 C ATOM 117 CE2 PHE A 4 1.445 -11.217 7.450 1.00 0.00 C ATOM 118 CZ PHE A 4 2.200 -12.045 8.257 1.00 0.00 C ATOM 0 H PHE A 4 1.744 -15.337 5.006 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.604 -14.503 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.255 -12.965 5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.083 -14.534 5.891 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.097 -15.029 7.146 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.022 -11.110 5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.659 -14.066 8.780 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.542 -10.145 7.535 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.889 -11.621 8.972 1.00 0.00 H new ATOM 128 N LEU A 5 0.489 -12.152 3.010 1.00 0.00 N ATOM 129 CA LEU A 5 1.260 -11.066 2.415 1.00 0.00 C ATOM 130 C LEU A 5 1.120 -9.787 3.235 1.00 0.00 C ATOM 131 O LEU A 5 0.012 -9.381 3.585 1.00 0.00 O ATOM 132 CB LEU A 5 0.802 -10.816 0.977 1.00 0.00 C ATOM 133 CG LEU A 5 1.551 -11.588 -0.109 1.00 0.00 C ATOM 134 CD1 LEU A 5 0.956 -11.296 -1.478 1.00 0.00 C ATOM 135 CD2 LEU A 5 3.032 -11.242 -0.084 1.00 0.00 C ATOM 0 H LEU A 5 -0.522 -12.033 2.951 1.00 0.00 H new ATOM 0 HA LEU A 5 2.310 -11.360 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.257 -11.064 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.895 -9.750 0.767 1.00 0.00 H new ATOM 0 HG LEU A 5 1.444 -12.654 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.502 -11.854 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.092 -11.595 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.031 -10.229 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.549 -11.801 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.159 -10.174 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.450 -11.503 0.888 1.00 0.00 H new ATOM 147 N ARG A 6 2.250 -9.156 3.535 1.00 0.00 N ATOM 148 CA ARG A 6 2.253 -7.922 4.312 1.00 0.00 C ATOM 149 C ARG A 6 2.620 -6.728 3.435 1.00 0.00 C ATOM 150 O ARG A 6 3.797 -6.408 3.267 1.00 0.00 O ATOM 151 CB ARG A 6 3.236 -8.032 5.479 1.00 0.00 C ATOM 152 CG ARG A 6 3.460 -6.720 6.212 1.00 0.00 C ATOM 153 CD ARG A 6 4.334 -6.911 7.442 1.00 0.00 C ATOM 154 NE ARG A 6 3.723 -7.816 8.412 1.00 0.00 N ATOM 155 CZ ARG A 6 4.267 -8.109 9.588 1.00 0.00 C ATOM 156 NH1 ARG A 6 5.428 -7.571 9.938 1.00 0.00 N ATOM 157 NH2 ARG A 6 3.651 -8.942 10.417 1.00 0.00 N ATOM 0 H ARG A 6 3.175 -9.479 3.252 1.00 0.00 H new ATOM 0 HA ARG A 6 1.248 -7.767 4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.866 -8.775 6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.192 -8.397 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.929 -6.002 5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.499 -6.299 6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.304 -7.305 7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.515 -5.944 7.912 1.00 0.00 H new ATOM 0 HE ARG A 6 2.830 -8.247 8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.905 -6.931 9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.843 -7.798 10.842 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.758 -9.358 10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.070 -9.166 11.320 1.00 0.00 H new ATOM 171 N ILE A 7 1.605 -6.075 2.880 1.00 0.00 N ATOM 172 CA ILE A 7 1.821 -4.917 2.022 1.00 0.00 C ATOM 173 C ILE A 7 1.823 -3.625 2.832 1.00 0.00 C ATOM 174 O ILE A 7 1.038 -3.463 3.765 1.00 0.00 O ATOM 175 CB ILE A 7 0.743 -4.820 0.926 1.00 0.00 C ATOM 176 CG1 ILE A 7 0.734 -6.092 0.075 1.00 0.00 C ATOM 177 CG2 ILE A 7 0.982 -3.595 0.055 1.00 0.00 C ATOM 178 CD1 ILE A 7 -0.189 -7.166 0.605 1.00 0.00 C ATOM 0 H ILE A 7 0.625 -6.328 3.009 1.00 0.00 H new ATOM 0 HA ILE A 7 2.795 -5.050 1.552 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.232 -4.718 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.436 -5.837 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.747 -6.490 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.212 -3.540 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.943 -2.697 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.962 -3.669 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.145 -8.038 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.122 -7.449 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.210 -6.786 0.634 1.00 0.00 H new ATOM 190 N GLY A 8 2.711 -2.705 2.467 1.00 0.00 N ATOM 191 CA GLY A 8 2.799 -1.438 3.169 1.00 0.00 C ATOM 192 C GLY A 8 2.859 -0.254 2.224 1.00 0.00 C ATOM 193 O GLY A 8 3.690 -0.218 1.315 1.00 0.00 O ATOM 0 H GLY A 8 3.371 -2.815 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.937 -1.330 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.686 -1.438 3.803 1.00 0.00 H new ATOM 197 N LEU A 9 1.977 0.716 2.436 1.00 0.00 N ATOM 198 CA LEU A 9 1.933 1.907 1.594 1.00 0.00 C ATOM 199 C LEU A 9 2.532 3.108 2.318 1.00 0.00 C ATOM 200 O LEU A 9 2.236 3.351 3.488 1.00 0.00 O ATOM 201 CB LEU A 9 0.491 2.211 1.184 1.00 0.00 C ATOM 202 CG LEU A 9 -0.296 1.047 0.582 1.00 0.00 C ATOM 203 CD1 LEU A 9 -1.787 1.348 0.592 1.00 0.00 C ATOM 204 CD2 LEU A 9 0.181 0.755 -0.833 1.00 0.00 C ATOM 0 H LEU A 9 1.283 0.702 3.183 1.00 0.00 H new ATOM 0 HA LEU A 9 2.526 1.713 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.046 2.571 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.504 3.027 0.461 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.121 0.162 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.331 0.508 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.119 1.506 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.981 2.246 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.391 -0.076 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.037 1.638 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.239 0.494 -0.814 1.00 0.00 H new ATOM 216 N SER A 10 3.374 3.857 1.614 1.00 0.00 N ATOM 217 CA SER A 10 4.017 5.032 2.190 1.00 0.00 C ATOM 218 C SER A 10 4.429 6.016 1.099 1.00 0.00 C ATOM 219 O SER A 10 4.508 5.659 -0.076 1.00 0.00 O ATOM 220 CB SER A 10 5.241 4.620 3.010 1.00 0.00 C ATOM 221 OG SER A 10 6.121 3.816 2.245 1.00 0.00 O ATOM 0 H SER A 10 3.627 3.671 0.644 1.00 0.00 H new ATOM 0 HA SER A 10 3.298 5.524 2.846 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.766 5.510 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.921 4.072 3.896 1.00 0.00 H new ATOM 0 HG SER A 10 6.896 3.568 2.791 1.00 0.00 H new ATOM 227 N ASN A 11 4.692 7.256 1.497 1.00 0.00 N ATOM 228 CA ASN A 11 5.097 8.292 0.554 1.00 0.00 C ATOM 229 C ASN A 11 4.037 8.487 -0.527 1.00 0.00 C ATOM 230 O ASN A 11 4.336 8.437 -1.720 1.00 0.00 O ATOM 231 CB ASN A 11 6.437 7.931 -0.089 1.00 0.00 C ATOM 232 CG ASN A 11 7.428 7.374 0.914 1.00 0.00 C ATOM 233 OD1 ASN A 11 8.039 8.120 1.680 1.00 0.00 O ATOM 234 ND2 ASN A 11 7.593 6.056 0.914 1.00 0.00 N ATOM 0 H ASN A 11 4.632 7.568 2.466 1.00 0.00 H new ATOM 0 HA ASN A 11 5.207 9.227 1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.272 7.198 -0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.861 8.817 -0.561 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.247 5.624 1.567 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.066 5.476 0.261 1.00 0.00 H new ATOM 241 N PHE A 12 2.799 8.710 -0.100 1.00 0.00 N ATOM 242 CA PHE A 12 1.694 8.913 -1.031 1.00 0.00 C ATOM 243 C PHE A 12 1.735 10.317 -1.626 1.00 0.00 C ATOM 244 O PHE A 12 1.602 11.310 -0.911 1.00 0.00 O ATOM 245 CB PHE A 12 0.356 8.685 -0.325 1.00 0.00 C ATOM 246 CG PHE A 12 -0.835 9.034 -1.170 1.00 0.00 C ATOM 247 CD1 PHE A 12 -0.917 8.606 -2.485 1.00 0.00 C ATOM 248 CD2 PHE A 12 -1.872 9.792 -0.650 1.00 0.00 C ATOM 249 CE1 PHE A 12 -2.012 8.926 -3.266 1.00 0.00 C ATOM 250 CE2 PHE A 12 -2.969 10.114 -1.426 1.00 0.00 C ATOM 251 CZ PHE A 12 -3.039 9.682 -2.736 1.00 0.00 C ATOM 0 H PHE A 12 2.535 8.755 0.884 1.00 0.00 H new ATOM 0 HA PHE A 12 1.797 8.191 -1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.286 7.639 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.330 9.280 0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.116 8.015 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.822 10.135 0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.064 8.585 -4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.772 10.703 -1.008 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.895 9.935 -3.344 1.00 0.00 H new ATOM 261 N ASP A 13 1.921 10.391 -2.939 1.00 0.00 N ATOM 262 CA ASP A 13 1.979 11.672 -3.633 1.00 0.00 C ATOM 263 C ASP A 13 0.697 11.924 -4.419 1.00 0.00 C ATOM 264 O ASP A 13 0.044 10.985 -4.877 1.00 0.00 O ATOM 265 CB ASP A 13 3.185 11.714 -4.573 1.00 0.00 C ATOM 266 CG ASP A 13 3.642 13.129 -4.866 1.00 0.00 C ATOM 267 OD1 ASP A 13 4.465 13.660 -4.091 1.00 0.00 O ATOM 268 OD2 ASP A 13 3.178 13.705 -5.872 1.00 0.00 O ATOM 0 H ASP A 13 2.034 9.578 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 13 2.084 12.457 -2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.008 11.154 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.930 11.217 -5.509 1.00 0.00 H new ATOM 273 N CYS A 14 0.342 13.194 -4.573 1.00 0.00 N ATOM 274 CA CYS A 14 -0.864 13.569 -5.303 1.00 0.00 C ATOM 275 C CYS A 14 -0.533 14.523 -6.446 1.00 0.00 C ATOM 276 O CYS A 14 -1.130 14.453 -7.519 1.00 0.00 O ATOM 277 CB CYS A 14 -1.876 14.218 -4.358 1.00 0.00 C ATOM 278 SG CYS A 14 -1.200 15.574 -3.370 1.00 0.00 S ATOM 0 H CYS A 14 0.872 13.982 -4.202 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.300 12.663 -5.724 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.715 14.593 -4.944 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.271 13.455 -3.687 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.132 16.060 -2.604 1.00 0.00 H new ATOM 431 N PRO A 27 -7.649 12.325 4.478 1.00 0.00 N ATOM 432 CA PRO A 27 -8.192 11.321 3.558 1.00 0.00 C ATOM 433 C PRO A 27 -7.781 9.903 3.941 1.00 0.00 C ATOM 434 O PRO A 27 -6.917 9.705 4.795 1.00 0.00 O ATOM 435 CB PRO A 27 -7.581 11.708 2.209 1.00 0.00 C ATOM 436 CG PRO A 27 -6.327 12.434 2.555 1.00 0.00 C ATOM 437 CD PRO A 27 -6.607 13.152 3.846 1.00 0.00 C ATOM 0 HA PRO A 27 -9.282 11.313 3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.374 10.827 1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.258 12.340 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.493 11.741 2.667 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.054 13.137 1.769 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.715 13.220 4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.953 14.171 3.672 1.00 0.00 H new ATOM 445 N TYR A 28 -8.406 8.919 3.303 1.00 0.00 N ATOM 446 CA TYR A 28 -8.107 7.519 3.578 1.00 0.00 C ATOM 447 C TYR A 28 -8.033 6.713 2.285 1.00 0.00 C ATOM 448 O TYR A 28 -8.289 7.236 1.199 1.00 0.00 O ATOM 449 CB TYR A 28 -9.168 6.921 4.504 1.00 0.00 C ATOM 450 CG TYR A 28 -10.511 6.725 3.838 1.00 0.00 C ATOM 451 CD1 TYR A 28 -10.792 5.565 3.126 1.00 0.00 C ATOM 452 CD2 TYR A 28 -11.499 7.698 3.921 1.00 0.00 C ATOM 453 CE1 TYR A 28 -12.018 5.382 2.515 1.00 0.00 C ATOM 454 CE2 TYR A 28 -12.728 7.523 3.315 1.00 0.00 C ATOM 455 CZ TYR A 28 -12.982 6.363 2.613 1.00 0.00 C ATOM 456 OH TYR A 28 -14.205 6.185 2.007 1.00 0.00 O ATOM 0 H TYR A 28 -9.123 9.065 2.592 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.136 7.472 4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.813 5.960 4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.292 7.572 5.369 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.040 4.794 3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -11.303 8.608 4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.220 4.476 1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.485 8.289 3.390 1.00 0.00 H new ATOM 0 HH TYR A 28 -14.770 6.969 2.173 1.00 0.00 H new ATOM 466 N CYS A 29 -7.681 5.438 2.409 1.00 0.00 N ATOM 467 CA CYS A 29 -7.572 4.559 1.250 1.00 0.00 C ATOM 468 C CYS A 29 -8.410 3.299 1.443 1.00 0.00 C ATOM 469 O CYS A 29 -8.341 2.650 2.486 1.00 0.00 O ATOM 470 CB CYS A 29 -6.110 4.181 1.006 1.00 0.00 C ATOM 471 SG CYS A 29 -5.139 5.473 0.196 1.00 0.00 S ATOM 0 H CYS A 29 -7.466 4.990 3.300 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.951 5.096 0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.645 3.937 1.961 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.076 3.279 0.395 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.503 6.165 1.094 1.00 0.00 H new ATOM 477 N ALA A 30 -9.203 2.961 0.432 1.00 0.00 N ATOM 478 CA ALA A 30 -10.055 1.780 0.490 1.00 0.00 C ATOM 479 C ALA A 30 -9.408 0.601 -0.230 1.00 0.00 C ATOM 480 O ALA A 30 -9.071 0.691 -1.411 1.00 0.00 O ATOM 481 CB ALA A 30 -11.419 2.083 -0.110 1.00 0.00 C ATOM 0 H ALA A 30 -9.273 3.489 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.184 1.506 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.045 1.192 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.892 2.890 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.300 2.385 -1.151 1.00 0.00 H new ATOM 487 N VAL A 31 -9.236 -0.504 0.489 1.00 0.00 N ATOM 488 CA VAL A 31 -8.630 -1.701 -0.081 1.00 0.00 C ATOM 489 C VAL A 31 -9.661 -2.810 -0.254 1.00 0.00 C ATOM 490 O VAL A 31 -10.030 -3.485 0.708 1.00 0.00 O ATOM 491 CB VAL A 31 -7.477 -2.219 0.798 1.00 0.00 C ATOM 492 CG1 VAL A 31 -6.869 -3.477 0.195 1.00 0.00 C ATOM 493 CG2 VAL A 31 -6.419 -1.141 0.980 1.00 0.00 C ATOM 0 H VAL A 31 -9.508 -0.595 1.468 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.235 -1.421 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.878 -2.472 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.056 -3.828 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.633 -4.251 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.482 -3.254 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.612 -1.525 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.020 -0.854 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.866 -0.270 1.460 1.00 0.00 H new ATOM 503 N LEU A 32 -10.123 -2.994 -1.486 1.00 0.00 N ATOM 504 CA LEU A 32 -11.113 -4.023 -1.786 1.00 0.00 C ATOM 505 C LEU A 32 -10.436 -5.327 -2.195 1.00 0.00 C ATOM 506 O LEU A 32 -9.639 -5.357 -3.133 1.00 0.00 O ATOM 507 CB LEU A 32 -12.048 -3.549 -2.900 1.00 0.00 C ATOM 508 CG LEU A 32 -13.077 -2.488 -2.507 1.00 0.00 C ATOM 509 CD1 LEU A 32 -12.468 -1.097 -2.594 1.00 0.00 C ATOM 510 CD2 LEU A 32 -14.311 -2.588 -3.391 1.00 0.00 C ATOM 0 H LEU A 32 -9.828 -2.444 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.696 -4.206 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.440 -3.153 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.581 -4.415 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.379 -2.667 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.214 -0.355 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.615 -1.030 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.137 -0.908 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.032 -1.825 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.026 -2.436 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.760 -3.575 -3.278 1.00 0.00 H new ATOM 522 N VAL A 33 -10.759 -6.404 -1.486 1.00 0.00 N ATOM 523 CA VAL A 33 -10.185 -7.712 -1.777 1.00 0.00 C ATOM 524 C VAL A 33 -11.250 -8.681 -2.278 1.00 0.00 C ATOM 525 O VAL A 33 -12.262 -8.907 -1.614 1.00 0.00 O ATOM 526 CB VAL A 33 -9.502 -8.314 -0.535 1.00 0.00 C ATOM 527 CG1 VAL A 33 -8.847 -9.644 -0.878 1.00 0.00 C ATOM 528 CG2 VAL A 33 -8.483 -7.340 0.037 1.00 0.00 C ATOM 0 H VAL A 33 -11.416 -6.396 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.438 -7.563 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.262 -8.496 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.369 -10.055 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.604 -10.341 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.097 -9.491 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.010 -7.782 0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.724 -7.124 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.984 -6.415 0.322 1.00 0.00 H new ATOM 538 N LYS A 34 -11.016 -9.252 -3.455 1.00 0.00 N ATOM 539 CA LYS A 34 -11.954 -10.199 -4.046 1.00 0.00 C ATOM 540 C LYS A 34 -11.301 -11.565 -4.235 1.00 0.00 C ATOM 541 O LYS A 34 -10.121 -11.745 -3.937 1.00 0.00 O ATOM 542 CB LYS A 34 -12.461 -9.674 -5.391 1.00 0.00 C ATOM 543 CG LYS A 34 -13.135 -8.316 -5.299 1.00 0.00 C ATOM 544 CD LYS A 34 -13.039 -7.555 -6.610 1.00 0.00 C ATOM 545 CE LYS A 34 -13.245 -6.062 -6.405 1.00 0.00 C ATOM 546 NZ LYS A 34 -14.686 -5.688 -6.465 1.00 0.00 N ATOM 0 H LYS A 34 -10.184 -9.075 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.798 -10.310 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.623 -9.608 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.166 -10.392 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.183 -8.447 -5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.672 -7.732 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.063 -7.730 -7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.786 -7.934 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.833 -5.768 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.695 -5.511 -7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.785 -4.663 -6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.073 -5.946 -7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.207 -6.194 -5.721 1.00 0.00 H new ATOM 809 N PRO A 50 -15.238 -7.445 2.892 1.00 0.00 N ATOM 810 CA PRO A 50 -15.613 -6.057 2.604 1.00 0.00 C ATOM 811 C PRO A 50 -14.400 -5.139 2.499 1.00 0.00 C ATOM 812 O PRO A 50 -13.263 -5.568 2.700 1.00 0.00 O ATOM 813 CB PRO A 50 -16.476 -5.667 3.806 1.00 0.00 C ATOM 814 CG PRO A 50 -16.019 -6.561 4.907 1.00 0.00 C ATOM 815 CD PRO A 50 -15.623 -7.855 4.252 1.00 0.00 C ATOM 0 HA PRO A 50 -16.124 -5.963 1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.341 -4.617 4.066 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -17.536 -5.809 3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.178 -6.121 5.443 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.814 -6.720 5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.796 -8.334 4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.448 -8.567 4.239 1.00 0.00 H new ATOM 823 N THR A 51 -14.649 -3.871 2.184 1.00 0.00 N ATOM 824 CA THR A 51 -13.578 -2.892 2.051 1.00 0.00 C ATOM 825 C THR A 51 -12.693 -2.874 3.293 1.00 0.00 C ATOM 826 O THR A 51 -13.143 -3.199 4.391 1.00 0.00 O ATOM 827 CB THR A 51 -14.137 -1.477 1.812 1.00 0.00 C ATOM 828 OG1 THR A 51 -15.196 -1.525 0.850 1.00 0.00 O ATOM 829 CG2 THR A 51 -13.043 -0.539 1.324 1.00 0.00 C ATOM 0 H THR A 51 -15.584 -3.499 2.016 1.00 0.00 H new ATOM 0 HA THR A 51 -12.983 -3.190 1.188 1.00 0.00 H new ATOM 0 HB THR A 51 -14.524 -1.098 2.758 1.00 0.00 H new ATOM 0 HG1 THR A 51 -15.547 -0.622 0.705 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.461 0.454 1.162 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.252 -0.482 2.072 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.631 -0.916 0.388 1.00 0.00 H new ATOM 837 N MET A 52 -11.434 -2.490 3.110 1.00 0.00 N ATOM 838 CA MET A 52 -10.487 -2.428 4.218 1.00 0.00 C ATOM 839 C MET A 52 -9.878 -1.034 4.334 1.00 0.00 C ATOM 840 O MET A 52 -9.866 -0.269 3.369 1.00 0.00 O ATOM 841 CB MET A 52 -9.380 -3.467 4.029 1.00 0.00 C ATOM 842 CG MET A 52 -9.744 -4.845 4.557 1.00 0.00 C ATOM 843 SD MET A 52 -8.310 -5.925 4.727 1.00 0.00 S ATOM 844 CE MET A 52 -7.504 -5.669 3.147 1.00 0.00 C ATOM 0 H MET A 52 -11.046 -2.217 2.207 1.00 0.00 H new ATOM 0 HA MET A 52 -11.027 -2.647 5.139 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.143 -3.544 2.968 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.478 -3.120 4.533 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.233 -4.741 5.526 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.465 -5.309 3.884 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.826 -6.499 2.946 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.256 -5.615 2.360 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.939 -4.737 3.173 1.00 0.00 H new ATOM 854 N TYR A 53 -9.372 -0.712 5.519 1.00 0.00 N ATOM 855 CA TYR A 53 -8.764 0.591 5.762 1.00 0.00 C ATOM 856 C TYR A 53 -7.395 0.439 6.418 1.00 0.00 C ATOM 857 O TYR A 53 -7.252 0.483 7.640 1.00 0.00 O ATOM 858 CB TYR A 53 -9.674 1.446 6.646 1.00 0.00 C ATOM 859 CG TYR A 53 -11.032 1.714 6.037 1.00 0.00 C ATOM 860 CD1 TYR A 53 -11.150 2.221 4.749 1.00 0.00 C ATOM 861 CD2 TYR A 53 -12.197 1.459 6.749 1.00 0.00 C ATOM 862 CE1 TYR A 53 -12.388 2.468 4.189 1.00 0.00 C ATOM 863 CE2 TYR A 53 -13.440 1.701 6.197 1.00 0.00 C ATOM 864 CZ TYR A 53 -13.530 2.207 4.917 1.00 0.00 C ATOM 865 OH TYR A 53 -14.766 2.450 4.362 1.00 0.00 O ATOM 0 H TYR A 53 -9.371 -1.335 6.326 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.633 1.087 4.800 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.808 0.947 7.606 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.181 2.397 6.847 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.258 2.426 4.176 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.130 1.064 7.752 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.461 2.863 3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.336 1.495 6.764 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.466 2.212 5.005 1.00 0.00 H new ATOM 875 N PRO A 54 -6.359 0.256 5.587 1.00 0.00 N ATOM 876 CA PRO A 54 -5.026 0.107 6.178 1.00 0.00 C ATOM 877 C PRO A 54 -4.514 1.407 6.789 1.00 0.00 C ATOM 878 O PRO A 54 -4.990 2.500 6.482 1.00 0.00 O ATOM 879 CB PRO A 54 -4.154 -0.304 4.989 1.00 0.00 C ATOM 880 CG PRO A 54 -4.860 0.242 3.795 1.00 0.00 C ATOM 881 CD PRO A 54 -6.327 0.176 4.117 1.00 0.00 C ATOM 0 HA PRO A 54 -5.022 -0.613 6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.148 0.106 5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.053 -1.388 4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.550 1.267 3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.629 -0.342 2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.876 0.998 3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.776 -0.749 3.755 1.00 0.00 H new ATOM 889 N PRO A 55 -3.518 1.291 7.679 1.00 0.00 N ATOM 890 CA PRO A 55 -2.998 2.520 8.288 1.00 0.00 C ATOM 891 C PRO A 55 -2.226 3.379 7.292 1.00 0.00 C ATOM 892 O PRO A 55 -2.171 3.068 6.103 1.00 0.00 O ATOM 893 CB PRO A 55 -2.065 2.004 9.386 1.00 0.00 C ATOM 894 CG PRO A 55 -1.648 0.650 8.924 1.00 0.00 C ATOM 895 CD PRO A 55 -2.823 0.090 8.172 1.00 0.00 C ATOM 0 HA PRO A 55 -3.798 3.163 8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.205 2.661 9.515 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.575 1.954 10.348 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.768 0.710 8.284 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.386 0.013 9.769 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.505 -0.555 7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.465 -0.509 8.818 1.00 0.00 H new ATOM 903 N TRP A 56 -1.632 4.459 7.787 1.00 0.00 N ATOM 904 CA TRP A 56 -0.862 5.362 6.939 1.00 0.00 C ATOM 905 C TRP A 56 0.634 5.177 7.163 1.00 0.00 C ATOM 906 O TRP A 56 1.104 5.164 8.302 1.00 0.00 O ATOM 907 CB TRP A 56 -1.256 6.814 7.217 1.00 0.00 C ATOM 908 CG TRP A 56 -2.430 7.276 6.408 1.00 0.00 C ATOM 909 CD1 TRP A 56 -3.613 7.763 6.885 1.00 0.00 C ATOM 910 CD2 TRP A 56 -2.533 7.293 4.980 1.00 0.00 C ATOM 911 NE1 TRP A 56 -4.447 8.081 5.840 1.00 0.00 N ATOM 912 CE2 TRP A 56 -3.807 7.804 4.661 1.00 0.00 C ATOM 913 CE3 TRP A 56 -1.674 6.930 3.940 1.00 0.00 C ATOM 914 CZ2 TRP A 56 -4.239 7.956 3.346 1.00 0.00 C ATOM 915 CZ3 TRP A 56 -2.104 7.082 2.636 1.00 0.00 C ATOM 916 CH2 TRP A 56 -3.377 7.592 2.348 1.00 0.00 C ATOM 0 H TRP A 56 -1.669 4.730 8.770 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.086 5.124 5.899 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.488 6.924 8.276 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.403 7.461 7.009 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.858 7.881 7.930 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.389 8.461 5.928 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.690 6.537 4.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.220 8.348 3.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.448 6.803 1.825 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.684 7.700 1.318 1.00 0.00 H new ATOM 927 N ASP A 57 1.378 5.034 6.072 1.00 0.00 N ATOM 928 CA ASP A 57 2.823 4.850 6.151 1.00 0.00 C ATOM 929 C ASP A 57 3.171 3.635 7.006 1.00 0.00 C ATOM 930 O ASP A 57 4.251 3.566 7.593 1.00 0.00 O ATOM 931 CB ASP A 57 3.487 6.102 6.726 1.00 0.00 C ATOM 932 CG ASP A 57 3.323 7.310 5.826 1.00 0.00 C ATOM 933 OD1 ASP A 57 2.750 7.157 4.727 1.00 0.00 O ATOM 934 OD2 ASP A 57 3.768 8.409 6.219 1.00 0.00 O ATOM 0 H ASP A 57 1.005 5.042 5.123 1.00 0.00 H new ATOM 0 HA ASP A 57 3.199 4.680 5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.058 6.320 7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.549 5.909 6.880 1.00 0.00 H new ATOM 939 N SER A 58 2.248 2.681 7.073 1.00 0.00 N ATOM 940 CA SER A 58 2.455 1.472 7.861 1.00 0.00 C ATOM 941 C SER A 58 2.169 0.226 7.028 1.00 0.00 C ATOM 942 O SER A 58 1.775 0.318 5.865 1.00 0.00 O ATOM 943 CB SER A 58 1.559 1.486 9.101 1.00 0.00 C ATOM 944 OG SER A 58 2.203 2.128 10.188 1.00 0.00 O ATOM 0 H SER A 58 1.350 2.722 6.591 1.00 0.00 H new ATOM 0 HA SER A 58 3.498 1.447 8.176 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.625 1.999 8.873 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.301 0.464 9.379 1.00 0.00 H new ATOM 0 HG SER A 58 1.609 2.125 10.968 1.00 0.00 H new ATOM 950 N THR A 59 2.371 -0.941 7.632 1.00 0.00 N ATOM 951 CA THR A 59 2.137 -2.207 6.948 1.00 0.00 C ATOM 952 C THR A 59 0.924 -2.928 7.524 1.00 0.00 C ATOM 953 O THR A 59 0.660 -2.858 8.725 1.00 0.00 O ATOM 954 CB THR A 59 3.364 -3.133 7.044 1.00 0.00 C ATOM 955 OG1 THR A 59 3.988 -2.987 8.324 1.00 0.00 O ATOM 956 CG2 THR A 59 4.368 -2.817 5.946 1.00 0.00 C ATOM 0 H THR A 59 2.696 -1.036 8.594 1.00 0.00 H new ATOM 0 HA THR A 59 1.951 -1.970 5.900 1.00 0.00 H new ATOM 0 HB THR A 59 3.026 -4.162 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.766 -3.580 8.378 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.226 -3.484 6.034 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.898 -2.957 4.972 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.700 -1.783 6.043 1.00 0.00 H new ATOM 964 N PHE A 60 0.188 -3.621 6.662 1.00 0.00 N ATOM 965 CA PHE A 60 -0.998 -4.355 7.086 1.00 0.00 C ATOM 966 C PHE A 60 -0.937 -5.806 6.617 1.00 0.00 C ATOM 967 O PHE A 60 -0.066 -6.179 5.831 1.00 0.00 O ATOM 968 CB PHE A 60 -2.261 -3.684 6.541 1.00 0.00 C ATOM 969 CG PHE A 60 -2.313 -3.634 5.041 1.00 0.00 C ATOM 970 CD1 PHE A 60 -2.889 -4.667 4.319 1.00 0.00 C ATOM 971 CD2 PHE A 60 -1.786 -2.553 4.353 1.00 0.00 C ATOM 972 CE1 PHE A 60 -2.939 -4.623 2.939 1.00 0.00 C ATOM 973 CE2 PHE A 60 -1.833 -2.504 2.972 1.00 0.00 C ATOM 974 CZ PHE A 60 -2.410 -3.540 2.264 1.00 0.00 C ATOM 0 H PHE A 60 0.392 -3.690 5.665 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.030 -4.345 8.175 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.136 -4.220 6.909 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.321 -2.669 6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.304 -5.517 4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.334 -1.740 4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.391 -5.435 2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.419 -1.656 2.447 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.448 -3.504 1.185 1.00 0.00 H new ATOM 984 N ASP A 61 -1.866 -6.619 7.105 1.00 0.00 N ATOM 985 CA ASP A 61 -1.919 -8.029 6.737 1.00 0.00 C ATOM 986 C ASP A 61 -2.926 -8.260 5.614 1.00 0.00 C ATOM 987 O ASP A 61 -4.012 -7.680 5.613 1.00 0.00 O ATOM 988 CB ASP A 61 -2.286 -8.883 7.952 1.00 0.00 C ATOM 989 CG ASP A 61 -3.720 -8.670 8.397 1.00 0.00 C ATOM 990 OD1 ASP A 61 -4.035 -7.559 8.874 1.00 0.00 O ATOM 991 OD2 ASP A 61 -4.527 -9.614 8.267 1.00 0.00 O ATOM 0 H ASP A 61 -2.594 -6.326 7.757 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.931 -8.323 6.382 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.136 -9.935 7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.614 -8.645 8.776 1.00 0.00 H new ATOM 996 N ALA A 62 -2.558 -9.109 4.661 1.00 0.00 N ATOM 997 CA ALA A 62 -3.429 -9.417 3.534 1.00 0.00 C ATOM 998 C ALA A 62 -3.418 -10.910 3.223 1.00 0.00 C ATOM 999 O ALA A 62 -2.373 -11.481 2.909 1.00 0.00 O ATOM 1000 CB ALA A 62 -3.010 -8.618 2.309 1.00 0.00 C ATOM 0 H ALA A 62 -1.662 -9.596 4.647 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.447 -9.137 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.669 -8.858 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.077 -7.553 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.983 -8.870 2.044 1.00 0.00 H new ATOM 1006 N HIS A 63 -4.586 -11.538 3.313 1.00 0.00 N ATOM 1007 CA HIS A 63 -4.710 -12.965 3.041 1.00 0.00 C ATOM 1008 C HIS A 63 -4.339 -13.277 1.595 1.00 0.00 C ATOM 1009 O HIS A 63 -4.473 -12.428 0.713 1.00 0.00 O ATOM 1010 CB HIS A 63 -6.136 -13.439 3.328 1.00 0.00 C ATOM 1011 CG HIS A 63 -6.537 -13.295 4.764 1.00 0.00 C ATOM 1012 ND1 HIS A 63 -7.839 -13.427 5.198 1.00 0.00 N ATOM 1013 CD2 HIS A 63 -5.799 -13.031 5.867 1.00 0.00 C ATOM 1014 CE1 HIS A 63 -7.884 -13.249 6.506 1.00 0.00 C ATOM 1015 NE2 HIS A 63 -6.659 -13.007 6.937 1.00 0.00 N ATOM 0 H HIS A 63 -5.460 -11.081 3.572 1.00 0.00 H new ATOM 0 HA HIS A 63 -4.020 -13.496 3.697 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.830 -12.873 2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -6.228 -14.485 3.037 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.732 -12.869 5.900 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -8.772 -13.294 7.119 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.395 -12.831 7.906 1.00 0.00 H new ATOM 1023 N ILE A 64 -3.874 -14.499 1.358 1.00 0.00 N ATOM 1024 CA ILE A 64 -3.484 -14.922 0.019 1.00 0.00 C ATOM 1025 C ILE A 64 -4.415 -16.009 -0.506 1.00 0.00 C ATOM 1026 O ILE A 64 -4.926 -16.826 0.259 1.00 0.00 O ATOM 1027 CB ILE A 64 -2.036 -15.445 -0.007 1.00 0.00 C ATOM 1028 CG1 ILE A 64 -1.091 -14.425 0.631 1.00 0.00 C ATOM 1029 CG2 ILE A 64 -1.608 -15.749 -1.435 1.00 0.00 C ATOM 1030 CD1 ILE A 64 0.337 -14.912 0.744 1.00 0.00 C ATOM 0 H ILE A 64 -3.758 -15.214 2.076 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.555 -14.044 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.989 -16.368 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.108 -13.508 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.460 -14.172 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.582 -16.118 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.267 -16.507 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.668 -14.840 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.950 -14.138 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.367 -15.812 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.724 -15.138 -0.250 1.00 0.00 H new ATOM 1042 N ASN A 65 -4.629 -16.015 -1.818 1.00 0.00 N ATOM 1043 CA ASN A 65 -5.497 -17.003 -2.447 1.00 0.00 C ATOM 1044 C ASN A 65 -5.248 -17.068 -3.951 1.00 0.00 C ATOM 1045 O ASN A 65 -4.945 -16.057 -4.585 1.00 0.00 O ATOM 1046 CB ASN A 65 -6.965 -16.669 -2.176 1.00 0.00 C ATOM 1047 CG ASN A 65 -7.893 -17.819 -2.517 1.00 0.00 C ATOM 1048 OD1 ASN A 65 -7.613 -18.974 -2.192 1.00 0.00 O ATOM 1049 ND2 ASN A 65 -9.004 -17.509 -3.174 1.00 0.00 N ATOM 0 H ASN A 65 -4.213 -15.346 -2.466 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.267 -17.978 -2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.087 -16.407 -1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.249 -15.792 -2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.666 -18.241 -3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.195 -16.539 -3.423 1.00 0.00 H new ATOM 1056 N LYS A 66 -5.379 -18.263 -4.516 1.00 0.00 N ATOM 1057 CA LYS A 66 -5.171 -18.461 -5.945 1.00 0.00 C ATOM 1058 C LYS A 66 -6.209 -17.694 -6.758 1.00 0.00 C ATOM 1059 O LYS A 66 -7.332 -18.161 -6.947 1.00 0.00 O ATOM 1060 CB LYS A 66 -5.237 -19.951 -6.290 1.00 0.00 C ATOM 1061 CG LYS A 66 -4.835 -20.263 -7.721 1.00 0.00 C ATOM 1062 CD LYS A 66 -5.133 -21.709 -8.081 1.00 0.00 C ATOM 1063 CE LYS A 66 -6.604 -21.910 -8.408 1.00 0.00 C ATOM 1064 NZ LYS A 66 -6.810 -23.022 -9.376 1.00 0.00 N ATOM 0 H LYS A 66 -5.629 -19.110 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.182 -18.079 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.586 -20.502 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.252 -20.310 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.368 -19.600 -8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.771 -20.066 -7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.525 -22.005 -8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.852 -22.357 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.154 -22.120 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.013 -20.988 -8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.826 -23.127 -9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.306 -22.810 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.443 -23.907 -8.972 1.00 0.00 H new ATOM 1078 N GLY A 67 -5.826 -16.515 -7.238 1.00 0.00 N ATOM 1079 CA GLY A 67 -6.735 -15.703 -8.025 1.00 0.00 C ATOM 1080 C GLY A 67 -7.279 -14.521 -7.248 1.00 0.00 C ATOM 1081 O GLY A 67 -8.310 -13.953 -7.610 1.00 0.00 O ATOM 0 H GLY A 67 -4.902 -16.108 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.218 -15.342 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.565 -16.321 -8.368 1.00 0.00 H new ATOM 1085 N ARG A 68 -6.587 -14.151 -6.176 1.00 0.00 N ATOM 1086 CA ARG A 68 -7.008 -13.031 -5.343 1.00 0.00 C ATOM 1087 C ARG A 68 -6.532 -11.706 -5.932 1.00 0.00 C ATOM 1088 O ARG A 68 -5.360 -11.553 -6.277 1.00 0.00 O ATOM 1089 CB ARG A 68 -6.467 -13.192 -3.921 1.00 0.00 C ATOM 1090 CG ARG A 68 -7.331 -12.527 -2.862 1.00 0.00 C ATOM 1091 CD ARG A 68 -6.661 -12.559 -1.497 1.00 0.00 C ATOM 1092 NE ARG A 68 -7.019 -13.754 -0.739 1.00 0.00 N ATOM 1093 CZ ARG A 68 -8.221 -13.957 -0.211 1.00 0.00 C ATOM 1094 NH1 ARG A 68 -9.176 -13.048 -0.359 1.00 0.00 N ATOM 1095 NH2 ARG A 68 -8.471 -15.070 0.466 1.00 0.00 N ATOM 0 H ARG A 68 -5.732 -14.611 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.098 -13.025 -5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.380 -14.254 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.462 -12.773 -3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.528 -11.494 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.295 -13.032 -2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.579 -12.521 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.947 -11.672 -0.932 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.307 -14.473 -0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.988 -12.191 -0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.098 -13.206 0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.740 -15.772 0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.394 -15.224 0.871 1.00 0.00 H new ATOM 1109 N VAL A 69 -7.450 -10.751 -6.046 1.00 0.00 N ATOM 1110 CA VAL A 69 -7.125 -9.439 -6.593 1.00 0.00 C ATOM 1111 C VAL A 69 -7.357 -8.341 -5.561 1.00 0.00 C ATOM 1112 O VAL A 69 -8.150 -8.503 -4.635 1.00 0.00 O ATOM 1113 CB VAL A 69 -7.960 -9.132 -7.850 1.00 0.00 C ATOM 1114 CG1 VAL A 69 -7.756 -10.211 -8.903 1.00 0.00 C ATOM 1115 CG2 VAL A 69 -9.432 -8.998 -7.491 1.00 0.00 C ATOM 0 H VAL A 69 -8.425 -10.862 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.070 -9.462 -6.864 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.623 -8.183 -8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.354 -9.977 -9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.703 -10.254 -9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.065 -11.176 -8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.008 -8.781 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.785 -9.930 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.559 -8.187 -6.774 1.00 0.00 H new ATOM 1125 N MET A 70 -6.659 -7.222 -5.729 1.00 0.00 N ATOM 1126 CA MET A 70 -6.790 -6.096 -4.812 1.00 0.00 C ATOM 1127 C MET A 70 -7.059 -4.803 -5.576 1.00 0.00 C ATOM 1128 O MET A 70 -6.568 -4.615 -6.688 1.00 0.00 O ATOM 1129 CB MET A 70 -5.524 -5.948 -3.967 1.00 0.00 C ATOM 1130 CG MET A 70 -5.492 -4.675 -3.136 1.00 0.00 C ATOM 1131 SD MET A 70 -4.380 -4.795 -1.722 1.00 0.00 S ATOM 1132 CE MET A 70 -2.816 -5.082 -2.545 1.00 0.00 C ATOM 0 H MET A 70 -5.998 -7.071 -6.491 1.00 0.00 H new ATOM 0 HA MET A 70 -7.636 -6.292 -4.153 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.438 -6.808 -3.303 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.655 -5.965 -4.624 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.182 -3.842 -3.767 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.499 -4.451 -2.783 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.028 -5.196 -1.800 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.882 -5.989 -3.145 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.584 -4.235 -3.191 1.00 0.00 H new ATOM 1142 N GLN A 71 -7.842 -3.916 -4.971 1.00 0.00 N ATOM 1143 CA GLN A 71 -8.177 -2.641 -5.595 1.00 0.00 C ATOM 1144 C GLN A 71 -7.992 -1.489 -4.613 1.00 0.00 C ATOM 1145 O GLN A 71 -8.687 -1.406 -3.600 1.00 0.00 O ATOM 1146 CB GLN A 71 -9.618 -2.663 -6.108 1.00 0.00 C ATOM 1147 CG GLN A 71 -9.916 -1.579 -7.131 1.00 0.00 C ATOM 1148 CD GLN A 71 -11.308 -1.700 -7.720 1.00 0.00 C ATOM 1149 OE1 GLN A 71 -12.127 -2.490 -7.251 1.00 0.00 O ATOM 1150 NE2 GLN A 71 -11.583 -0.914 -8.755 1.00 0.00 N ATOM 0 H GLN A 71 -8.256 -4.056 -4.050 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.501 -2.489 -6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.822 -3.637 -6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.297 -2.550 -5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.808 -0.601 -6.661 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.180 -1.630 -7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.874 -0.274 -9.112 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.503 -0.951 -9.193 1.00 0.00 H new ATOM 1159 N ILE A 72 -7.052 -0.602 -4.920 1.00 0.00 N ATOM 1160 CA ILE A 72 -6.776 0.546 -4.065 1.00 0.00 C ATOM 1161 C ILE A 72 -7.444 1.806 -4.605 1.00 0.00 C ATOM 1162 O ILE A 72 -7.066 2.317 -5.660 1.00 0.00 O ATOM 1163 CB ILE A 72 -5.263 0.798 -3.930 1.00 0.00 C ATOM 1164 CG1 ILE A 72 -4.559 -0.459 -3.414 1.00 0.00 C ATOM 1165 CG2 ILE A 72 -5.003 1.976 -3.004 1.00 0.00 C ATOM 1166 CD1 ILE A 72 -3.050 -0.376 -3.481 1.00 0.00 C ATOM 0 H ILE A 72 -6.468 -0.656 -5.755 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.185 0.313 -3.082 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.860 1.039 -4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.860 -0.636 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.894 -1.318 -3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.929 2.142 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.477 2.870 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.417 1.762 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.617 -1.301 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.739 -0.230 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.705 0.463 -2.876 1.00 0.00 H new ATOM 1178 N ILE A 73 -8.436 2.303 -3.874 1.00 0.00 N ATOM 1179 CA ILE A 73 -9.154 3.506 -4.278 1.00 0.00 C ATOM 1180 C ILE A 73 -9.002 4.612 -3.240 1.00 0.00 C ATOM 1181 O ILE A 73 -9.446 4.473 -2.100 1.00 0.00 O ATOM 1182 CB ILE A 73 -10.652 3.221 -4.494 1.00 0.00 C ATOM 1183 CG1 ILE A 73 -10.839 2.123 -5.543 1.00 0.00 C ATOM 1184 CG2 ILE A 73 -11.377 4.491 -4.914 1.00 0.00 C ATOM 1185 CD1 ILE A 73 -12.270 1.650 -5.674 1.00 0.00 C ATOM 0 H ILE A 73 -8.761 1.891 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.715 3.834 -5.220 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.080 2.875 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.497 2.493 -6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.206 1.274 -5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.435 4.274 -5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.268 5.247 -4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.949 4.864 -5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -12.328 0.872 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.610 1.249 -4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.905 2.488 -5.962 1.00 0.00 H new ATOM 1197 N VAL A 74 -8.374 5.712 -3.642 1.00 0.00 N ATOM 1198 CA VAL A 74 -8.167 6.844 -2.747 1.00 0.00 C ATOM 1199 C VAL A 74 -9.281 7.874 -2.896 1.00 0.00 C ATOM 1200 O VAL A 74 -9.240 8.727 -3.783 1.00 0.00 O ATOM 1201 CB VAL A 74 -6.812 7.528 -3.012 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -6.539 8.597 -1.965 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -5.693 6.499 -3.040 1.00 0.00 C ATOM 0 H VAL A 74 -8.000 5.843 -4.582 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.175 6.450 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.854 8.012 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.578 9.069 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.327 9.349 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.516 8.140 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.743 6.999 -3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.648 5.984 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.885 5.775 -3.832 1.00 0.00 H new ATOM 1213 N LYS A 75 -10.278 7.789 -2.021 1.00 0.00 N ATOM 1214 CA LYS A 75 -11.404 8.714 -2.052 1.00 0.00 C ATOM 1215 C LYS A 75 -11.489 9.513 -0.755 1.00 0.00 C ATOM 1216 O LYS A 75 -11.059 9.049 0.300 1.00 0.00 O ATOM 1217 CB LYS A 75 -12.711 7.951 -2.280 1.00 0.00 C ATOM 1218 CG LYS A 75 -13.041 6.966 -1.172 1.00 0.00 C ATOM 1219 CD LYS A 75 -12.473 5.587 -1.466 1.00 0.00 C ATOM 1220 CE LYS A 75 -13.463 4.730 -2.241 1.00 0.00 C ATOM 1221 NZ LYS A 75 -14.569 4.239 -1.373 1.00 0.00 N ATOM 0 H LYS A 75 -10.329 7.088 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.247 9.410 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.528 8.666 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.648 7.413 -3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.640 7.332 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.122 6.898 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.551 5.687 -2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.216 5.091 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.878 5.310 -3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.941 3.880 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.084 3.479 -1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.175 3.872 -0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.222 5.022 -1.166 1.00 0.00 H new ATOM 1325 N ILE A 82 -10.289 10.358 -6.534 1.00 0.00 N ATOM 1326 CA ILE A 82 -9.014 10.945 -6.924 1.00 0.00 C ATOM 1327 C ILE A 82 -8.320 10.097 -7.984 1.00 0.00 C ATOM 1328 O ILE A 82 -7.870 10.610 -9.009 1.00 0.00 O ATOM 1329 CB ILE A 82 -8.074 11.105 -5.715 1.00 0.00 C ATOM 1330 CG1 ILE A 82 -8.806 11.793 -4.560 1.00 0.00 C ATOM 1331 CG2 ILE A 82 -6.834 11.894 -6.108 1.00 0.00 C ATOM 1332 CD1 ILE A 82 -7.957 11.955 -3.319 1.00 0.00 C ATOM 0 HA ILE A 82 -9.233 11.930 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.761 10.115 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -9.145 12.775 -4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -9.696 11.216 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.180 11.998 -5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.304 11.368 -6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.128 12.882 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.539 12.450 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.639 10.974 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.080 12.558 -3.554 1.00 0.00 H new ATOM 1344 N SER A 83 -8.238 8.794 -7.732 1.00 0.00 N ATOM 1345 CA SER A 83 -7.597 7.874 -8.664 1.00 0.00 C ATOM 1346 C SER A 83 -7.810 6.426 -8.231 1.00 0.00 C ATOM 1347 O SER A 83 -8.434 6.161 -7.204 1.00 0.00 O ATOM 1348 CB SER A 83 -6.100 8.174 -8.761 1.00 0.00 C ATOM 1349 OG SER A 83 -5.514 8.272 -7.474 1.00 0.00 O ATOM 0 H SER A 83 -8.608 8.352 -6.890 1.00 0.00 H new ATOM 0 HA SER A 83 -8.053 8.013 -9.644 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.605 7.388 -9.330 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.947 9.106 -9.305 1.00 0.00 H new ATOM 0 HG SER A 83 -4.557 8.463 -7.564 1.00 0.00 H new ATOM 1355 N GLU A 84 -7.286 5.495 -9.022 1.00 0.00 N ATOM 1356 CA GLU A 84 -7.419 4.075 -8.721 1.00 0.00 C ATOM 1357 C GLU A 84 -6.300 3.272 -9.377 1.00 0.00 C ATOM 1358 O GLU A 84 -5.572 3.781 -10.230 1.00 0.00 O ATOM 1359 CB GLU A 84 -8.779 3.556 -9.194 1.00 0.00 C ATOM 1360 CG GLU A 84 -8.883 3.410 -10.703 1.00 0.00 C ATOM 1361 CD GLU A 84 -8.442 2.043 -11.189 1.00 0.00 C ATOM 1362 OE1 GLU A 84 -9.094 1.044 -10.822 1.00 0.00 O ATOM 1363 OE2 GLU A 84 -7.444 1.974 -11.936 1.00 0.00 O ATOM 0 H GLU A 84 -6.766 5.699 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.346 3.951 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.971 2.589 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.558 4.236 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.914 3.586 -11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.272 4.176 -11.181 1.00 0.00 H new ATOM 1370 N THR A 85 -6.168 2.012 -8.973 1.00 0.00 N ATOM 1371 CA THR A 85 -5.137 1.139 -9.519 1.00 0.00 C ATOM 1372 C THR A 85 -5.529 -0.328 -9.381 1.00 0.00 C ATOM 1373 O THR A 85 -6.317 -0.692 -8.507 1.00 0.00 O ATOM 1374 CB THR A 85 -3.782 1.364 -8.822 1.00 0.00 C ATOM 1375 OG1 THR A 85 -2.774 0.553 -9.436 1.00 0.00 O ATOM 1376 CG2 THR A 85 -3.874 1.032 -7.340 1.00 0.00 C ATOM 0 H THR A 85 -6.763 1.574 -8.270 1.00 0.00 H new ATOM 0 HA THR A 85 -5.039 1.389 -10.575 1.00 0.00 H new ATOM 0 HB THR A 85 -3.515 2.416 -8.927 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.915 0.703 -8.988 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.905 1.199 -6.869 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.621 1.671 -6.870 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.162 -0.012 -7.218 1.00 0.00 H new ATOM 1384 N THR A 86 -4.974 -1.169 -10.248 1.00 0.00 N ATOM 1385 CA THR A 86 -5.266 -2.596 -10.223 1.00 0.00 C ATOM 1386 C THR A 86 -4.024 -3.406 -9.868 1.00 0.00 C ATOM 1387 O THR A 86 -2.924 -3.111 -10.336 1.00 0.00 O ATOM 1388 CB THR A 86 -5.811 -3.082 -11.579 1.00 0.00 C ATOM 1389 OG1 THR A 86 -6.603 -2.055 -12.185 1.00 0.00 O ATOM 1390 CG2 THR A 86 -6.648 -4.341 -11.406 1.00 0.00 C ATOM 0 H THR A 86 -4.319 -0.886 -10.977 1.00 0.00 H new ATOM 0 HA THR A 86 -6.027 -2.749 -9.458 1.00 0.00 H new ATOM 0 HB THR A 86 -4.964 -3.314 -12.224 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.944 -2.371 -13.047 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.022 -4.665 -12.377 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.033 -5.130 -10.972 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.489 -4.131 -10.745 1.00 0.00 H new ATOM 1398 N VAL A 87 -4.206 -4.428 -9.038 1.00 0.00 N ATOM 1399 CA VAL A 87 -3.100 -5.281 -8.621 1.00 0.00 C ATOM 1400 C VAL A 87 -3.593 -6.670 -8.233 1.00 0.00 C ATOM 1401 O VAL A 87 -4.614 -6.811 -7.560 1.00 0.00 O ATOM 1402 CB VAL A 87 -2.335 -4.669 -7.432 1.00 0.00 C ATOM 1403 CG1 VAL A 87 -3.270 -4.449 -6.253 1.00 0.00 C ATOM 1404 CG2 VAL A 87 -1.165 -5.557 -7.038 1.00 0.00 C ATOM 0 H VAL A 87 -5.110 -4.685 -8.641 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.426 -5.363 -9.473 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.939 -3.700 -7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.713 -4.016 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.071 -3.770 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.698 -5.403 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.636 -5.110 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.536 -6.541 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.484 -5.658 -7.883 1.00 0.00 H new ATOM 1414 N GLU A 88 -2.861 -7.694 -8.661 1.00 0.00 N ATOM 1415 CA GLU A 88 -3.226 -9.073 -8.358 1.00 0.00 C ATOM 1416 C GLU A 88 -2.480 -9.574 -7.125 1.00 0.00 C ATOM 1417 O GLU A 88 -1.260 -9.741 -7.148 1.00 0.00 O ATOM 1418 CB GLU A 88 -2.923 -9.978 -9.553 1.00 0.00 C ATOM 1419 CG GLU A 88 -4.044 -10.028 -10.578 1.00 0.00 C ATOM 1420 CD GLU A 88 -3.557 -10.431 -11.956 1.00 0.00 C ATOM 1421 OE1 GLU A 88 -3.221 -11.619 -12.144 1.00 0.00 O ATOM 1422 OE2 GLU A 88 -3.511 -9.558 -12.848 1.00 0.00 O ATOM 0 H GLU A 88 -2.012 -7.595 -9.218 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.296 -9.102 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.012 -9.630 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.726 -10.988 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.805 -10.734 -10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.521 -9.050 -10.637 1.00 0.00 H new ATOM 1429 N LEU A 89 -3.221 -9.811 -6.048 1.00 0.00 N ATOM 1430 CA LEU A 89 -2.632 -10.293 -4.804 1.00 0.00 C ATOM 1431 C LEU A 89 -1.930 -11.631 -5.016 1.00 0.00 C ATOM 1432 O LEU A 89 -0.915 -11.918 -4.382 1.00 0.00 O ATOM 1433 CB LEU A 89 -3.708 -10.433 -3.727 1.00 0.00 C ATOM 1434 CG LEU A 89 -4.190 -9.132 -3.085 1.00 0.00 C ATOM 1435 CD1 LEU A 89 -5.612 -9.284 -2.570 1.00 0.00 C ATOM 1436 CD2 LEU A 89 -3.255 -8.715 -1.959 1.00 0.00 C ATOM 0 H LEU A 89 -4.232 -9.677 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.892 -9.564 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.568 -10.939 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.324 -11.082 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.183 -8.351 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.937 -8.347 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.274 -9.535 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.646 -10.079 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.613 -7.787 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.229 -9.496 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.252 -8.563 -2.357 1.00 0.00 H new ATOM 1448 N TYR A 90 -2.478 -12.444 -5.912 1.00 0.00 N ATOM 1449 CA TYR A 90 -1.905 -13.752 -6.207 1.00 0.00 C ATOM 1450 C TYR A 90 -0.490 -13.615 -6.760 1.00 0.00 C ATOM 1451 O TYR A 90 0.483 -13.993 -6.107 1.00 0.00 O ATOM 1452 CB TYR A 90 -2.785 -14.503 -7.209 1.00 0.00 C ATOM 1453 CG TYR A 90 -2.270 -15.882 -7.552 1.00 0.00 C ATOM 1454 CD1 TYR A 90 -1.934 -16.788 -6.554 1.00 0.00 C ATOM 1455 CD2 TYR A 90 -2.118 -16.279 -8.875 1.00 0.00 C ATOM 1456 CE1 TYR A 90 -1.462 -18.049 -6.863 1.00 0.00 C ATOM 1457 CE2 TYR A 90 -1.649 -17.539 -9.193 1.00 0.00 C ATOM 1458 CZ TYR A 90 -1.322 -18.420 -8.184 1.00 0.00 C ATOM 1459 OH TYR A 90 -0.852 -19.675 -8.497 1.00 0.00 O ATOM 0 H TYR A 90 -3.318 -12.221 -6.446 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.859 -14.318 -5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.792 -14.591 -6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.862 -13.915 -8.124 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.044 -16.502 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.371 -15.591 -9.668 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.204 -18.741 -6.075 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.539 -17.832 -10.227 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.814 -19.777 -9.471 1.00 0.00 H new ATOM 1469 N SER A 91 -0.384 -13.070 -7.968 1.00 0.00 N ATOM 1470 CA SER A 91 0.912 -12.885 -8.611 1.00 0.00 C ATOM 1471 C SER A 91 1.856 -12.091 -7.713 1.00 0.00 C ATOM 1472 O SER A 91 3.075 -12.263 -7.768 1.00 0.00 O ATOM 1473 CB SER A 91 0.741 -12.167 -9.952 1.00 0.00 C ATOM 1474 OG SER A 91 -0.443 -12.586 -10.607 1.00 0.00 O ATOM 0 H SER A 91 -1.179 -12.749 -8.521 1.00 0.00 H new ATOM 0 HA SER A 91 1.347 -13.869 -8.786 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.709 -11.090 -9.790 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.603 -12.368 -10.588 1.00 0.00 H new ATOM 0 HG SER A 91 -0.530 -12.112 -11.460 1.00 0.00 H new ATOM 1480 N LEU A 92 1.285 -11.222 -6.887 1.00 0.00 N ATOM 1481 CA LEU A 92 2.074 -10.401 -5.975 1.00 0.00 C ATOM 1482 C LEU A 92 2.869 -11.271 -5.008 1.00 0.00 C ATOM 1483 O LEU A 92 4.070 -11.074 -4.823 1.00 0.00 O ATOM 1484 CB LEU A 92 1.164 -9.451 -5.195 1.00 0.00 C ATOM 1485 CG LEU A 92 1.857 -8.533 -4.187 1.00 0.00 C ATOM 1486 CD1 LEU A 92 2.971 -7.747 -4.860 1.00 0.00 C ATOM 1487 CD2 LEU A 92 0.850 -7.591 -3.544 1.00 0.00 C ATOM 0 H LEU A 92 0.278 -11.067 -6.830 1.00 0.00 H new ATOM 0 HA LEU A 92 2.776 -9.815 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.623 -8.830 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.422 -10.046 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 92 2.298 -9.151 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.453 -7.099 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.706 -8.438 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.554 -7.139 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.361 -6.945 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.380 -6.980 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.087 -8.172 -3.027 1.00 0.00 H new ATOM 1499 N ALA A 93 2.192 -12.236 -4.394 1.00 0.00 N ATOM 1500 CA ALA A 93 2.835 -13.140 -3.449 1.00 0.00 C ATOM 1501 C ALA A 93 4.039 -13.830 -4.082 1.00 0.00 C ATOM 1502 O ALA A 93 4.999 -14.176 -3.395 1.00 0.00 O ATOM 1503 CB ALA A 93 1.839 -14.171 -2.942 1.00 0.00 C ATOM 0 H ALA A 93 1.197 -12.412 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 93 3.190 -12.550 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.334 -14.839 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.013 -13.664 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.455 -14.750 -3.782 1.00 0.00 H new ATOM 1509 N GLU A 94 3.978 -14.028 -5.395 1.00 0.00 N ATOM 1510 CA GLU A 94 5.063 -14.680 -6.120 1.00 0.00 C ATOM 1511 C GLU A 94 6.196 -13.697 -6.401 1.00 0.00 C ATOM 1512 O GLU A 94 7.372 -14.025 -6.239 1.00 0.00 O ATOM 1513 CB GLU A 94 4.547 -15.270 -7.434 1.00 0.00 C ATOM 1514 CG GLU A 94 3.346 -16.184 -7.260 1.00 0.00 C ATOM 1515 CD GLU A 94 3.227 -17.209 -8.372 1.00 0.00 C ATOM 1516 OE1 GLU A 94 3.970 -17.090 -9.369 1.00 0.00 O ATOM 1517 OE2 GLU A 94 2.392 -18.128 -8.245 1.00 0.00 O ATOM 0 H GLU A 94 3.190 -13.747 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 94 5.450 -15.486 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.279 -14.456 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.352 -15.828 -7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.422 -16.699 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.438 -15.582 -7.227 1.00 0.00 H new ATOM 1524 N ARG A 95 5.834 -12.490 -6.824 1.00 0.00 N ATOM 1525 CA ARG A 95 6.819 -11.460 -7.130 1.00 0.00 C ATOM 1526 C ARG A 95 7.769 -11.251 -5.955 1.00 0.00 C ATOM 1527 O ARG A 95 8.970 -11.052 -6.143 1.00 0.00 O ATOM 1528 CB ARG A 95 6.121 -10.144 -7.476 1.00 0.00 C ATOM 1529 CG ARG A 95 5.424 -10.160 -8.826 1.00 0.00 C ATOM 1530 CD ARG A 95 4.887 -8.786 -9.193 1.00 0.00 C ATOM 1531 NE ARG A 95 4.234 -8.783 -10.500 1.00 0.00 N ATOM 1532 CZ ARG A 95 4.896 -8.805 -11.652 1.00 0.00 C ATOM 1533 NH1 ARG A 95 6.222 -8.830 -11.658 1.00 0.00 N ATOM 1534 NH2 ARG A 95 4.231 -8.802 -12.800 1.00 0.00 N ATOM 0 H ARG A 95 4.865 -12.202 -6.963 1.00 0.00 H new ATOM 0 HA ARG A 95 7.400 -11.792 -7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.389 -9.917 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.856 -9.339 -7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.122 -10.496 -9.593 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.604 -10.878 -8.805 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.177 -8.460 -8.433 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.705 -8.066 -9.195 1.00 0.00 H new ATOM 0 HE ARG A 95 3.215 -8.763 -10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.736 -8.832 -10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.728 -8.847 -12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.211 -8.783 -12.799 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.740 -8.819 -13.684 1.00 0.00 H new ATOM 1548 N CYS A 96 7.224 -11.296 -4.745 1.00 0.00 N ATOM 1549 CA CYS A 96 8.023 -11.110 -3.539 1.00 0.00 C ATOM 1550 C CYS A 96 9.145 -12.141 -3.465 1.00 0.00 C ATOM 1551 O CYS A 96 10.306 -11.796 -3.247 1.00 0.00 O ATOM 1552 CB CYS A 96 7.139 -11.211 -2.295 1.00 0.00 C ATOM 1553 SG CYS A 96 5.699 -10.118 -2.323 1.00 0.00 S ATOM 0 H CYS A 96 6.232 -11.460 -4.573 1.00 0.00 H new ATOM 0 HA CYS A 96 8.469 -10.116 -3.579 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.798 -12.241 -2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.740 -10.980 -1.415 1.00 0.00 H new ATOM 0 HG CYS A 96 4.941 -10.424 -3.334 1.00 0.00 H new ATOM 1559 N ARG A 97 8.789 -13.409 -3.646 1.00 0.00 N ATOM 1560 CA ARG A 97 9.764 -14.491 -3.597 1.00 0.00 C ATOM 1561 C ARG A 97 10.922 -14.223 -4.554 1.00 0.00 C ATOM 1562 O ARG A 97 12.079 -14.508 -4.243 1.00 0.00 O ATOM 1563 CB ARG A 97 9.098 -15.823 -3.947 1.00 0.00 C ATOM 1564 CG ARG A 97 7.914 -16.164 -3.057 1.00 0.00 C ATOM 1565 CD ARG A 97 7.333 -17.526 -3.401 1.00 0.00 C ATOM 1566 NE ARG A 97 6.927 -17.610 -4.801 1.00 0.00 N ATOM 1567 CZ ARG A 97 6.293 -18.655 -5.321 1.00 0.00 C ATOM 1568 NH1 ARG A 97 5.993 -19.699 -4.560 1.00 0.00 N ATOM 1569 NH2 ARG A 97 5.956 -18.657 -6.605 1.00 0.00 N ATOM 0 H ARG A 97 7.832 -13.712 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 97 10.158 -14.545 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.765 -15.791 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.838 -16.620 -3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.227 -16.154 -2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.144 -15.401 -3.166 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.072 -18.299 -3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.473 -17.725 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 97 7.142 -16.823 -5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.249 -19.701 -3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.506 -20.500 -4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.184 -17.856 -7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.469 -19.460 -7.003 1.00 0.00 H new ATOM 1583 N LYS A 98 10.603 -13.673 -5.721 1.00 0.00 N ATOM 1584 CA LYS A 98 11.616 -13.365 -6.724 1.00 0.00 C ATOM 1585 C LYS A 98 12.695 -12.455 -6.147 1.00 0.00 C ATOM 1586 O LYS A 98 13.830 -12.444 -6.621 1.00 0.00 O ATOM 1587 CB LYS A 98 10.970 -12.699 -7.942 1.00 0.00 C ATOM 1588 CG LYS A 98 9.773 -13.458 -8.487 1.00 0.00 C ATOM 1589 CD LYS A 98 9.357 -12.938 -9.853 1.00 0.00 C ATOM 1590 CE LYS A 98 9.118 -14.076 -10.833 1.00 0.00 C ATOM 1591 NZ LYS A 98 8.310 -13.638 -12.005 1.00 0.00 N ATOM 0 H LYS A 98 9.651 -13.431 -5.996 1.00 0.00 H new ATOM 0 HA LYS A 98 12.082 -14.301 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.657 -11.691 -7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.716 -12.600 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.015 -14.518 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.937 -13.368 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.449 -12.343 -9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.131 -12.277 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.076 -14.466 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.606 -14.892 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.169 -14.442 -12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.386 -13.289 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.810 -12.876 -12.506 1.00 0.00 H new ATOM 1605 N ASN A 99 12.333 -11.693 -5.119 1.00 0.00 N ATOM 1606 CA ASN A 99 13.271 -10.781 -4.476 1.00 0.00 C ATOM 1607 C ASN A 99 13.904 -11.427 -3.248 1.00 0.00 C ATOM 1608 O ASN A 99 14.331 -10.739 -2.322 1.00 0.00 O ATOM 1609 CB ASN A 99 12.562 -9.485 -4.076 1.00 0.00 C ATOM 1610 CG ASN A 99 12.512 -8.480 -5.210 1.00 0.00 C ATOM 1611 OD1 ASN A 99 12.924 -7.330 -5.054 1.00 0.00 O ATOM 1612 ND2 ASN A 99 12.004 -8.910 -6.360 1.00 0.00 N ATOM 0 H ASN A 99 11.397 -11.690 -4.714 1.00 0.00 H new ATOM 0 HA ASN A 99 14.061 -10.550 -5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.547 -9.714 -3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.076 -9.041 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.944 -8.278 -7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.675 -9.872 -6.444 1.00 0.00 H new ATOM 1619 N ASN A 100 13.961 -12.755 -3.248 1.00 0.00 N ATOM 1620 CA ASN A 100 14.542 -13.495 -2.134 1.00 0.00 C ATOM 1621 C ASN A 100 13.826 -13.164 -0.828 1.00 0.00 C ATOM 1622 O ASN A 100 14.399 -13.282 0.254 1.00 0.00 O ATOM 1623 CB ASN A 100 16.033 -13.178 -2.006 1.00 0.00 C ATOM 1624 CG ASN A 100 16.884 -14.008 -2.948 1.00 0.00 C ATOM 1625 OD1 ASN A 100 17.440 -13.492 -3.918 1.00 0.00 O ATOM 1626 ND2 ASN A 100 16.989 -15.301 -2.665 1.00 0.00 N ATOM 0 H ASN A 100 13.612 -13.340 -4.007 1.00 0.00 H new ATOM 0 HA ASN A 100 14.420 -14.559 -2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.196 -12.120 -2.211 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.353 -13.357 -0.979 1.00 0.00 H new ATOM 0 HD21 ASN A 100 17.548 -15.910 -3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 100 16.511 -15.685 -1.850 1.00 0.00 H new ATOM 1633 N GLY A 101 12.568 -12.747 -0.939 1.00 0.00 N ATOM 1634 CA GLY A 101 11.794 -12.405 0.240 1.00 0.00 C ATOM 1635 C GLY A 101 10.696 -11.403 -0.058 1.00 0.00 C ATOM 1636 O GLY A 101 9.544 -11.779 -0.277 1.00 0.00 O ATOM 0 H GLY A 101 12.072 -12.640 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.352 -13.310 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.458 -11.996 1.001 1.00 0.00 H new ATOM 1640 N LYS A 102 11.052 -10.123 -0.064 1.00 0.00 N ATOM 1641 CA LYS A 102 10.090 -9.062 -0.337 1.00 0.00 C ATOM 1642 C LYS A 102 10.507 -8.249 -1.558 1.00 0.00 C ATOM 1643 O LYS A 102 11.670 -7.867 -1.694 1.00 0.00 O ATOM 1644 CB LYS A 102 9.954 -8.143 0.879 1.00 0.00 C ATOM 1645 CG LYS A 102 11.181 -7.285 1.133 1.00 0.00 C ATOM 1646 CD LYS A 102 11.032 -5.903 0.519 1.00 0.00 C ATOM 1647 CE LYS A 102 10.397 -4.925 1.495 1.00 0.00 C ATOM 1648 NZ LYS A 102 11.385 -4.403 2.479 1.00 0.00 N ATOM 0 H LYS A 102 12.001 -9.795 0.117 1.00 0.00 H new ATOM 0 HA LYS A 102 9.126 -9.526 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.090 -7.494 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.756 -8.750 1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.345 -7.191 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.061 -7.776 0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.011 -5.531 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.422 -5.968 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.960 -4.093 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.582 -5.418 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.913 -3.740 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.784 -5.194 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.149 -3.910 1.975 1.00 0.00 H new ATOM 1662 N THR A 103 9.551 -7.986 -2.443 1.00 0.00 N ATOM 1663 CA THR A 103 9.820 -7.217 -3.652 1.00 0.00 C ATOM 1664 C THR A 103 9.218 -5.820 -3.561 1.00 0.00 C ATOM 1665 O THR A 103 8.171 -5.625 -2.945 1.00 0.00 O ATOM 1666 CB THR A 103 9.262 -7.924 -4.902 1.00 0.00 C ATOM 1667 OG1 THR A 103 9.724 -7.263 -6.086 1.00 0.00 O ATOM 1668 CG2 THR A 103 7.741 -7.937 -4.883 1.00 0.00 C ATOM 0 H THR A 103 8.584 -8.294 -2.345 1.00 0.00 H new ATOM 0 HA THR A 103 10.903 -7.137 -3.741 1.00 0.00 H new ATOM 0 HB THR A 103 9.618 -8.954 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.366 -7.719 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.370 -8.441 -5.775 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.393 -8.466 -3.996 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.369 -6.913 -4.864 1.00 0.00 H new ATOM 1676 N GLU A 104 9.886 -4.851 -4.179 1.00 0.00 N ATOM 1677 CA GLU A 104 9.415 -3.471 -4.166 1.00 0.00 C ATOM 1678 C GLU A 104 8.720 -3.121 -5.479 1.00 0.00 C ATOM 1679 O GLU A 104 9.294 -3.276 -6.558 1.00 0.00 O ATOM 1680 CB GLU A 104 10.582 -2.512 -3.924 1.00 0.00 C ATOM 1681 CG GLU A 104 11.143 -2.580 -2.513 1.00 0.00 C ATOM 1682 CD GLU A 104 12.573 -2.085 -2.429 1.00 0.00 C ATOM 1683 OE1 GLU A 104 13.389 -2.478 -3.288 1.00 0.00 O ATOM 1684 OE2 GLU A 104 12.876 -1.303 -1.503 1.00 0.00 O ATOM 0 H GLU A 104 10.754 -4.996 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 104 8.695 -3.368 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.378 -2.736 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.252 -1.493 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.517 -1.985 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.097 -3.609 -2.157 1.00 0.00 H new ATOM 1691 N ILE A 105 7.481 -2.651 -5.379 1.00 0.00 N ATOM 1692 CA ILE A 105 6.708 -2.279 -6.557 1.00 0.00 C ATOM 1693 C ILE A 105 6.131 -0.875 -6.416 1.00 0.00 C ATOM 1694 O ILE A 105 5.637 -0.500 -5.352 1.00 0.00 O ATOM 1695 CB ILE A 105 5.558 -3.271 -6.812 1.00 0.00 C ATOM 1696 CG1 ILE A 105 6.108 -4.688 -6.993 1.00 0.00 C ATOM 1697 CG2 ILE A 105 4.755 -2.849 -8.034 1.00 0.00 C ATOM 1698 CD1 ILE A 105 5.065 -5.768 -6.812 1.00 0.00 C ATOM 0 H ILE A 105 6.991 -2.519 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 105 7.393 -2.304 -7.404 1.00 0.00 H new ATOM 0 HB ILE A 105 4.895 -3.266 -5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.542 -4.776 -7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.915 -4.850 -6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.946 -3.560 -8.201 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.337 -1.856 -7.870 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.406 -2.828 -8.908 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.525 -6.746 -6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.648 -5.706 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.269 -5.631 -7.544 1.00 0.00 H new ATOM 1710 N TRP A 106 6.195 -0.104 -7.495 1.00 0.00 N ATOM 1711 CA TRP A 106 5.676 1.260 -7.491 1.00 0.00 C ATOM 1712 C TRP A 106 4.323 1.330 -8.190 1.00 0.00 C ATOM 1713 O TRP A 106 4.245 1.288 -9.419 1.00 0.00 O ATOM 1714 CB TRP A 106 6.666 2.205 -8.174 1.00 0.00 C ATOM 1715 CG TRP A 106 7.672 2.794 -7.231 1.00 0.00 C ATOM 1716 CD1 TRP A 106 8.923 2.315 -6.963 1.00 0.00 C ATOM 1717 CD2 TRP A 106 7.510 3.970 -6.431 1.00 0.00 C ATOM 1718 NE1 TRP A 106 9.548 3.123 -6.045 1.00 0.00 N ATOM 1719 CE2 TRP A 106 8.703 4.146 -5.703 1.00 0.00 C ATOM 1720 CE3 TRP A 106 6.475 4.893 -6.259 1.00 0.00 C ATOM 1721 CZ2 TRP A 106 8.886 5.205 -4.818 1.00 0.00 C ATOM 1722 CZ3 TRP A 106 6.658 5.944 -5.381 1.00 0.00 C ATOM 1723 CH2 TRP A 106 7.856 6.094 -4.670 1.00 0.00 C ATOM 0 H TRP A 106 6.600 -0.399 -8.383 1.00 0.00 H new ATOM 0 HA TRP A 106 5.544 1.569 -6.454 1.00 0.00 H new ATOM 0 HB2 TRP A 106 7.190 1.663 -8.961 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.114 3.012 -8.656 1.00 0.00 H new ATOM 0 HD1 TRP A 106 9.357 1.431 -7.407 1.00 0.00 H new ATOM 0 HE1 TRP A 106 10.489 2.984 -5.677 1.00 0.00 H new ATOM 0 HE3 TRP A 106 5.548 4.787 -6.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 9.808 5.321 -4.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 5.864 6.662 -5.240 1.00 0.00 H new ATOM 0 HH2 TRP A 106 7.969 6.927 -3.992 1.00 0.00 H new ATOM 1734 N LEU A 107 3.260 1.436 -7.401 1.00 0.00 N ATOM 1735 CA LEU A 107 1.908 1.512 -7.945 1.00 0.00 C ATOM 1736 C LEU A 107 1.728 2.774 -8.783 1.00 0.00 C ATOM 1737 O LEU A 107 2.359 3.798 -8.522 1.00 0.00 O ATOM 1738 CB LEU A 107 0.879 1.486 -6.813 1.00 0.00 C ATOM 1739 CG LEU A 107 0.771 0.175 -6.035 1.00 0.00 C ATOM 1740 CD1 LEU A 107 -0.140 0.344 -4.829 1.00 0.00 C ATOM 1741 CD2 LEU A 107 0.262 -0.940 -6.937 1.00 0.00 C ATOM 0 H LEU A 107 3.307 1.471 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 107 1.753 0.646 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.121 2.283 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.100 1.718 -7.233 1.00 0.00 H new ATOM 0 HG LEU A 107 1.765 -0.097 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.205 -0.599 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.266 1.113 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.135 0.640 -5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.191 -1.866 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.723 -0.675 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.952 -1.078 -7.769 1.00 0.00 H new ATOM 1753 N GLU A 108 0.862 2.693 -9.788 1.00 0.00 N ATOM 1754 CA GLU A 108 0.599 3.830 -10.662 1.00 0.00 C ATOM 1755 C GLU A 108 -0.892 4.155 -10.698 1.00 0.00 C ATOM 1756 O GLU A 108 -1.642 3.593 -11.497 1.00 0.00 O ATOM 1757 CB GLU A 108 1.103 3.541 -12.078 1.00 0.00 C ATOM 1758 CG GLU A 108 0.735 2.156 -12.584 1.00 0.00 C ATOM 1759 CD GLU A 108 0.746 2.066 -14.098 1.00 0.00 C ATOM 1760 OE1 GLU A 108 0.280 3.021 -14.753 1.00 0.00 O ATOM 1761 OE2 GLU A 108 1.223 1.040 -14.627 1.00 0.00 O ATOM 0 H GLU A 108 0.331 1.853 -10.017 1.00 0.00 H new ATOM 0 HA GLU A 108 1.132 4.693 -10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.695 4.288 -12.759 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.187 3.650 -12.098 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.434 1.426 -12.175 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.256 1.890 -12.215 1.00 0.00 H new ATOM 1768 N LEU A 109 -1.313 5.065 -9.827 1.00 0.00 N ATOM 1769 CA LEU A 109 -2.714 5.466 -9.758 1.00 0.00 C ATOM 1770 C LEU A 109 -3.063 6.425 -10.891 1.00 0.00 C ATOM 1771 O LEU A 109 -2.350 7.399 -11.136 1.00 0.00 O ATOM 1772 CB LEU A 109 -3.011 6.122 -8.408 1.00 0.00 C ATOM 1773 CG LEU A 109 -2.313 5.508 -7.195 1.00 0.00 C ATOM 1774 CD1 LEU A 109 -2.643 6.292 -5.935 1.00 0.00 C ATOM 1775 CD2 LEU A 109 -2.709 4.047 -7.035 1.00 0.00 C ATOM 0 H LEU A 109 -0.705 5.539 -9.159 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.328 4.572 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.732 7.174 -8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.087 6.087 -8.239 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.236 5.557 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.137 5.840 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.309 7.323 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.720 6.276 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.203 3.626 -6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.788 3.976 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.421 3.492 -7.928 1.00 0.00 H new ATOM 1787 N LYS A 110 -4.166 6.146 -11.578 1.00 0.00 N ATOM 1788 CA LYS A 110 -4.613 6.986 -12.683 1.00 0.00 C ATOM 1789 C LYS A 110 -5.954 7.638 -12.363 1.00 0.00 C ATOM 1790 O LYS A 110 -6.717 7.170 -11.517 1.00 0.00 O ATOM 1791 CB LYS A 110 -4.729 6.158 -13.965 1.00 0.00 C ATOM 1792 CG LYS A 110 -3.394 5.886 -14.636 1.00 0.00 C ATOM 1793 CD LYS A 110 -3.558 5.647 -16.127 1.00 0.00 C ATOM 1794 CE LYS A 110 -2.223 5.713 -16.853 1.00 0.00 C ATOM 1795 NZ LYS A 110 -2.398 5.815 -18.328 1.00 0.00 N ATOM 0 H LYS A 110 -4.767 5.344 -11.389 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.873 7.773 -12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.209 5.208 -13.732 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.379 6.680 -14.667 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.725 6.731 -14.473 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.925 5.016 -14.176 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.015 4.671 -16.292 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.237 6.391 -16.543 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.657 6.572 -16.494 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.637 4.824 -16.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.465 5.858 -18.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.916 4.983 -18.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.935 6.676 -18.555 1.00 0.00 H new ATOM 1809 N PRO A 111 -6.254 8.746 -13.055 1.00 0.00 N ATOM 1810 CA PRO A 111 -5.447 9.409 -14.084 1.00 0.00 C ATOM 1811 C PRO A 111 -4.202 10.072 -13.505 1.00 0.00 C ATOM 1812 O PRO A 111 -3.261 10.388 -14.233 1.00 0.00 O ATOM 1813 CB PRO A 111 -6.398 10.465 -14.655 1.00 0.00 C ATOM 1814 CG PRO A 111 -7.363 10.740 -13.554 1.00 0.00 C ATOM 1815 CD PRO A 111 -7.529 9.442 -12.814 1.00 0.00 C ATOM 0 HA PRO A 111 -5.075 8.704 -14.827 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -5.860 11.368 -14.944 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -6.908 10.098 -15.546 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -6.988 11.521 -12.893 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.317 11.088 -13.949 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.703 9.605 -11.750 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.377 8.870 -13.191 1.00 0.00 H new ATOM 1823 N GLN A 112 -4.203 10.279 -12.192 1.00 0.00 N ATOM 1824 CA GLN A 112 -3.072 10.904 -11.516 1.00 0.00 C ATOM 1825 C GLN A 112 -2.849 10.284 -10.141 1.00 0.00 C ATOM 1826 O GLN A 112 -3.714 9.583 -9.617 1.00 0.00 O ATOM 1827 CB GLN A 112 -3.303 12.410 -11.379 1.00 0.00 C ATOM 1828 CG GLN A 112 -4.654 12.767 -10.780 1.00 0.00 C ATOM 1829 CD GLN A 112 -4.945 14.253 -10.841 1.00 0.00 C ATOM 1830 OE1 GLN A 112 -5.946 14.678 -11.419 1.00 0.00 O ATOM 1831 NE2 GLN A 112 -4.070 15.053 -10.244 1.00 0.00 N ATOM 0 H GLN A 112 -4.974 10.023 -11.575 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.180 10.733 -12.119 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -2.515 12.835 -10.757 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -3.217 12.873 -12.362 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -5.437 12.225 -11.311 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.685 12.437 -9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -3.254 14.658 -9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -4.214 16.063 -10.253 1.00 0.00 H new ATOM 1840 N GLY A 113 -1.682 10.547 -9.561 1.00 0.00 N ATOM 1841 CA GLY A 113 -1.366 10.007 -8.251 1.00 0.00 C ATOM 1842 C GLY A 113 -0.487 8.775 -8.329 1.00 0.00 C ATOM 1843 O GLY A 113 -0.548 8.021 -9.301 1.00 0.00 O ATOM 0 H GLY A 113 -0.950 11.124 -9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.864 10.771 -7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.291 9.757 -7.731 1.00 0.00 H new ATOM 1847 N ARG A 114 0.334 8.569 -7.305 1.00 0.00 N ATOM 1848 CA ARG A 114 1.231 7.421 -7.263 1.00 0.00 C ATOM 1849 C ARG A 114 1.697 7.147 -5.836 1.00 0.00 C ATOM 1850 O ARG A 114 1.746 8.052 -5.004 1.00 0.00 O ATOM 1851 CB ARG A 114 2.441 7.659 -8.169 1.00 0.00 C ATOM 1852 CG ARG A 114 3.251 8.888 -7.792 1.00 0.00 C ATOM 1853 CD ARG A 114 3.608 9.716 -9.017 1.00 0.00 C ATOM 1854 NE ARG A 114 4.231 8.908 -10.062 1.00 0.00 N ATOM 1855 CZ ARG A 114 5.510 8.550 -10.050 1.00 0.00 C ATOM 1856 NH1 ARG A 114 6.298 8.926 -9.052 1.00 0.00 N ATOM 1857 NH2 ARG A 114 6.003 7.814 -11.037 1.00 0.00 N ATOM 0 H ARG A 114 0.397 9.183 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 114 0.683 6.550 -7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.088 6.783 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.099 7.762 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.682 9.499 -7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.163 8.581 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.707 10.187 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.286 10.519 -8.727 1.00 0.00 H new ATOM 0 HE ARG A 114 3.652 8.602 -10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.922 9.492 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.280 8.650 -9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.400 7.522 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.985 7.540 -11.027 1.00 0.00 H new ATOM 1871 N MET A 115 2.038 5.892 -5.561 1.00 0.00 N ATOM 1872 CA MET A 115 2.501 5.500 -4.235 1.00 0.00 C ATOM 1873 C MET A 115 3.370 4.248 -4.311 1.00 0.00 C ATOM 1874 O MET A 115 3.344 3.521 -5.305 1.00 0.00 O ATOM 1875 CB MET A 115 1.309 5.252 -3.308 1.00 0.00 C ATOM 1876 CG MET A 115 0.233 4.374 -3.924 1.00 0.00 C ATOM 1877 SD MET A 115 -0.900 3.697 -2.695 1.00 0.00 S ATOM 1878 CE MET A 115 -2.045 5.060 -2.503 1.00 0.00 C ATOM 0 H MET A 115 2.002 5.130 -6.238 1.00 0.00 H new ATOM 0 HA MET A 115 3.102 6.315 -3.832 1.00 0.00 H new ATOM 0 HB2 MET A 115 1.665 4.786 -2.389 1.00 0.00 H new ATOM 0 HB3 MET A 115 0.870 6.210 -3.030 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.332 4.956 -4.652 1.00 0.00 H new ATOM 0 HG3 MET A 115 0.705 3.555 -4.467 1.00 0.00 H new ATOM 0 HE1 MET A 115 -2.253 5.214 -1.444 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.606 5.966 -2.922 1.00 0.00 H new ATOM 0 HE3 MET A 115 -2.974 4.831 -3.026 1.00 0.00 H new ATOM 1888 N LEU A 116 4.138 4.001 -3.255 1.00 0.00 N ATOM 1889 CA LEU A 116 5.015 2.837 -3.203 1.00 0.00 C ATOM 1890 C LEU A 116 4.337 1.677 -2.480 1.00 0.00 C ATOM 1891 O LEU A 116 3.739 1.858 -1.420 1.00 0.00 O ATOM 1892 CB LEU A 116 6.327 3.194 -2.501 1.00 0.00 C ATOM 1893 CG LEU A 116 7.290 2.033 -2.249 1.00 0.00 C ATOM 1894 CD1 LEU A 116 7.667 1.358 -3.558 1.00 0.00 C ATOM 1895 CD2 LEU A 116 8.534 2.521 -1.521 1.00 0.00 C ATOM 0 H LEU A 116 4.171 4.591 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 116 5.230 2.528 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.843 3.945 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.089 3.657 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 116 6.788 1.300 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.353 0.535 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.769 0.973 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.150 2.082 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.208 1.682 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.038 3.274 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.248 2.957 -0.564 1.00 0.00 H new ATOM 1907 N MET A 117 4.439 0.486 -3.060 1.00 0.00 N ATOM 1908 CA MET A 117 3.838 -0.705 -2.469 1.00 0.00 C ATOM 1909 C MET A 117 4.898 -1.765 -2.186 1.00 0.00 C ATOM 1910 O MET A 117 5.459 -2.356 -3.108 1.00 0.00 O ATOM 1911 CB MET A 117 2.764 -1.275 -3.398 1.00 0.00 C ATOM 1912 CG MET A 117 1.888 -2.328 -2.739 1.00 0.00 C ATOM 1913 SD MET A 117 0.833 -3.192 -3.919 1.00 0.00 S ATOM 1914 CE MET A 117 2.046 -4.162 -4.810 1.00 0.00 C ATOM 0 H MET A 117 4.931 0.319 -3.938 1.00 0.00 H new ATOM 0 HA MET A 117 3.375 -0.418 -1.525 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.133 -0.460 -3.754 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.246 -1.711 -4.273 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.521 -3.052 -2.226 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.265 -1.854 -1.980 1.00 0.00 H new ATOM 0 HE1 MET A 117 1.550 -4.992 -5.312 1.00 0.00 H new ATOM 0 HE2 MET A 117 2.542 -3.534 -5.550 1.00 0.00 H new ATOM 0 HE3 MET A 117 2.786 -4.551 -4.110 1.00 0.00 H new ATOM 1924 N ASN A 118 5.167 -2.000 -0.906 1.00 0.00 N ATOM 1925 CA ASN A 118 6.160 -2.989 -0.502 1.00 0.00 C ATOM 1926 C ASN A 118 5.489 -4.218 0.104 1.00 0.00 C ATOM 1927 O ASN A 118 4.968 -4.167 1.217 1.00 0.00 O ATOM 1928 CB ASN A 118 7.137 -2.379 0.504 1.00 0.00 C ATOM 1929 CG ASN A 118 7.630 -1.010 0.076 1.00 0.00 C ATOM 1930 OD1 ASN A 118 7.409 -0.014 0.765 1.00 0.00 O ATOM 1931 ND2 ASN A 118 8.301 -0.955 -1.069 1.00 0.00 N ATOM 0 H ASN A 118 4.711 -1.519 -0.131 1.00 0.00 H new ATOM 0 HA ASN A 118 6.710 -3.299 -1.390 1.00 0.00 H new ATOM 0 HB2 ASN A 118 6.650 -2.299 1.476 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.990 -3.046 0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.656 -0.062 -1.409 1.00 0.00 H new ATOM 0 HD22 ASN A 118 8.461 -1.806 -1.608 1.00 0.00 H new ATOM 1938 N ALA A 119 5.507 -5.321 -0.637 1.00 0.00 N ATOM 1939 CA ALA A 119 4.904 -6.563 -0.173 1.00 0.00 C ATOM 1940 C ALA A 119 5.954 -7.494 0.424 1.00 0.00 C ATOM 1941 O ALA A 119 6.964 -7.794 -0.212 1.00 0.00 O ATOM 1942 CB ALA A 119 4.171 -7.254 -1.314 1.00 0.00 C ATOM 0 H ALA A 119 5.933 -5.379 -1.562 1.00 0.00 H new ATOM 0 HA ALA A 119 4.186 -6.318 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.726 -8.181 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.387 -6.598 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.875 -7.479 -2.115 1.00 0.00 H new ATOM 1948 N ARG A 120 5.708 -7.947 1.649 1.00 0.00 N ATOM 1949 CA ARG A 120 6.634 -8.842 2.332 1.00 0.00 C ATOM 1950 C ARG A 120 6.070 -10.259 2.401 1.00 0.00 C ATOM 1951 O ARG A 120 4.856 -10.457 2.351 1.00 0.00 O ATOM 1952 CB ARG A 120 6.926 -8.329 3.744 1.00 0.00 C ATOM 1953 CG ARG A 120 8.034 -7.291 3.797 1.00 0.00 C ATOM 1954 CD ARG A 120 8.098 -6.614 5.158 1.00 0.00 C ATOM 1955 NE ARG A 120 9.006 -7.304 6.070 1.00 0.00 N ATOM 1956 CZ ARG A 120 9.228 -6.914 7.321 1.00 0.00 C ATOM 1957 NH1 ARG A 120 8.611 -5.845 7.804 1.00 0.00 N ATOM 1958 NH2 ARG A 120 10.068 -7.594 8.090 1.00 0.00 N ATOM 0 H ARG A 120 4.876 -7.709 2.188 1.00 0.00 H new ATOM 0 HA ARG A 120 7.563 -8.866 1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.016 -7.898 4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.199 -9.172 4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.991 -7.767 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.869 -6.541 3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.424 -5.581 5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.100 -6.583 5.595 1.00 0.00 H new ATOM 0 HE ARG A 120 9.497 -8.130 5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.964 -5.320 7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.783 -5.547 8.764 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.544 -8.417 7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.238 -7.294 9.050 1.00 0.00 H new ATOM 1972 N TYR A 121 6.959 -11.239 2.516 1.00 0.00 N ATOM 1973 CA TYR A 121 6.551 -12.637 2.588 1.00 0.00 C ATOM 1974 C TYR A 121 6.692 -13.172 4.009 1.00 0.00 C ATOM 1975 O TYR A 121 7.721 -12.983 4.658 1.00 0.00 O ATOM 1976 CB TYR A 121 7.386 -13.484 1.627 1.00 0.00 C ATOM 1977 CG TYR A 121 6.659 -14.704 1.107 1.00 0.00 C ATOM 1978 CD1 TYR A 121 5.711 -14.593 0.097 1.00 0.00 C ATOM 1979 CD2 TYR A 121 6.919 -15.966 1.626 1.00 0.00 C ATOM 1980 CE1 TYR A 121 5.044 -15.705 -0.381 1.00 0.00 C ATOM 1981 CE2 TYR A 121 6.257 -17.083 1.154 1.00 0.00 C ATOM 1982 CZ TYR A 121 5.320 -16.947 0.150 1.00 0.00 C ATOM 1983 OH TYR A 121 4.658 -18.057 -0.322 1.00 0.00 O ATOM 0 H TYR A 121 7.967 -11.091 2.561 1.00 0.00 H new ATOM 0 HA TYR A 121 5.502 -12.699 2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 121 7.691 -12.866 0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.297 -13.803 2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 121 5.492 -13.622 -0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 121 7.651 -16.076 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 121 4.310 -15.602 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 121 6.472 -18.057 1.568 1.00 0.00 H new ATOM 0 HH TYR A 121 4.970 -18.853 0.158 1.00 0.00 H new ATOM 1993 N PHE A 122 5.649 -13.843 4.488 1.00 0.00 N ATOM 1994 CA PHE A 122 5.655 -14.407 5.833 1.00 0.00 C ATOM 1995 C PHE A 122 4.869 -15.715 5.877 1.00 0.00 C ATOM 1996 O PHE A 122 4.176 -16.069 4.923 1.00 0.00 O ATOM 1997 CB PHE A 122 5.063 -13.409 6.830 1.00 0.00 C ATOM 1998 CG PHE A 122 6.026 -12.334 7.245 1.00 0.00 C ATOM 1999 CD1 PHE A 122 7.052 -12.611 8.134 1.00 0.00 C ATOM 2000 CD2 PHE A 122 5.905 -11.047 6.746 1.00 0.00 C ATOM 2001 CE1 PHE A 122 7.939 -11.623 8.518 1.00 0.00 C ATOM 2002 CE2 PHE A 122 6.790 -10.055 7.127 1.00 0.00 C ATOM 2003 CZ PHE A 122 7.809 -10.344 8.013 1.00 0.00 C ATOM 0 H PHE A 122 4.789 -14.009 3.965 1.00 0.00 H new ATOM 0 HA PHE A 122 6.689 -14.615 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 122 4.182 -12.945 6.388 1.00 0.00 H new ATOM 0 HB3 PHE A 122 4.728 -13.948 7.716 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.160 -13.610 8.531 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.111 -10.816 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.734 -11.851 9.213 1.00 0.00 H new ATOM 0 HE2 PHE A 122 6.684 -9.055 6.732 1.00 0.00 H new ATOM 0 HZ PHE A 122 8.503 -9.572 8.310 1.00 0.00 H new ATOM 2013 N LEU A 123 4.983 -16.428 6.992 1.00 0.00 N ATOM 2014 CA LEU A 123 4.284 -17.697 7.163 1.00 0.00 C ATOM 2015 C LEU A 123 3.368 -17.655 8.381 1.00 0.00 C ATOM 2016 O LEU A 123 3.746 -17.146 9.436 1.00 0.00 O ATOM 2017 CB LEU A 123 5.290 -18.841 7.307 1.00 0.00 C ATOM 2018 CG LEU A 123 5.744 -19.504 6.005 1.00 0.00 C ATOM 2019 CD1 LEU A 123 4.600 -20.287 5.379 1.00 0.00 C ATOM 2020 CD2 LEU A 123 6.275 -18.461 5.032 1.00 0.00 C ATOM 0 H LEU A 123 5.553 -16.149 7.791 1.00 0.00 H new ATOM 0 HA LEU A 123 3.672 -17.868 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 123 6.171 -18.461 7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.851 -19.606 7.947 1.00 0.00 H new ATOM 0 HG LEU A 123 6.551 -20.200 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 123 4.941 -20.752 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 123 4.266 -21.059 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.772 -19.611 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.593 -18.951 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.489 -17.740 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.124 -17.944 5.480 1.00 0.00 H new