USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 719 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 14 HIS : no HD1:sc= -5! C(o=-7.5!,f=-27!) USER MOD Set 1.2: A 49 SER OG : rot 38:sc= -3.54! USER MOD Set 1.3: A 86 SER OG : rot -107:sc= 0.7 USER MOD Set 1.4: A 91 HIS : no HE2:sc= 0.311! C(o=-7.5!,f=-30!) USER MOD Set 2.1: A 27 GLN : amide:sc= -2.76! C(o=-2.9!,f=-26!) USER MOD Set 2.2: A 31 LYS NZ :NH3+ -120:sc= -0.107! (180deg=-1.49!) USER MOD Set 3.1: A 20 GLN : amide:sc= -0.421 K(o=0.39,f=-3.4!) USER MOD Set 3.2: A 90 TYR OH : rot -60:sc= 0.81 USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= -0.044 (180deg=-0.396) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= -0.455 (180deg=-0.794!) USER MOD Single : A 12 CYS SG : rot -97:sc= -2.71! USER MOD Single : A 13 SER OG : rot -21:sc= -1.24 USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.198 (180deg=-1.07) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc=-0.00825 (180deg=-0.175) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -0.0877 (180deg=-0.705) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= 0.759 (180deg=-0.0695) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= 0.577 (180deg=-1.07!) USER MOD Single : A 44 SER OG : rot -52:sc= 0.857 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 97:sc= 0.294 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0531 (180deg=-0.567) USER MOD Single : A 64 MET CE :methyl -149:sc= -1.46 (180deg=-5.75!) USER MOD Single : A 66 LYS NZ :NH3+ 152:sc=-0.00126 (180deg=-0.687) USER MOD Single : A 76 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.7!) USER MOD Single : A 81 SER OG : rot -80:sc= -1.92! USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= 0.699 (180deg=-0.252) USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= 1.2 (180deg=-2.47!) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -12.595 8.904 0.196 1.00 0.00 N ATOM 97 CA LYS A 9 -11.441 8.242 0.761 1.00 0.00 C ATOM 98 C LYS A 9 -10.979 7.153 -0.183 1.00 0.00 C ATOM 99 O LYS A 9 -11.750 6.684 -1.021 1.00 0.00 O ATOM 100 CB LYS A 9 -11.822 7.609 2.091 1.00 0.00 C ATOM 101 CG LYS A 9 -12.201 8.692 3.096 1.00 0.00 C ATOM 102 CD LYS A 9 -12.650 8.019 4.391 1.00 0.00 C ATOM 103 CE LYS A 9 -13.133 9.069 5.390 1.00 0.00 C ATOM 104 NZ LYS A 9 -12.047 10.042 5.680 1.00 0.00 N ATOM 0 HA LYS A 9 -10.643 8.969 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.658 6.924 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.988 7.021 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.350 9.347 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.001 9.316 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.451 7.309 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.824 7.451 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.001 9.591 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.452 8.584 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.281 10.576 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.152 9.531 5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.948 10.700 4.881 1.00 0.00 H new ATOM 118 N ILE A 10 -9.754 6.720 -0.014 1.00 0.00 N ATOM 119 CA ILE A 10 -9.222 5.631 -0.812 1.00 0.00 C ATOM 120 C ILE A 10 -9.120 4.399 0.068 1.00 0.00 C ATOM 121 O ILE A 10 -8.546 4.465 1.151 1.00 0.00 O ATOM 122 CB ILE A 10 -7.818 5.984 -1.343 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.553 7.496 -1.192 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.715 5.578 -2.818 1.00 0.00 C ATOM 125 CD1 ILE A 10 -6.336 7.908 -2.023 1.00 0.00 C ATOM 0 H ILE A 10 -9.101 7.103 0.670 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.882 5.450 -1.660 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.070 5.442 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.429 8.059 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.385 7.740 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.723 5.827 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.881 4.505 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.468 6.114 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.161 8.978 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.459 7.358 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.520 7.683 -3.074 1.00 0.00 H new ATOM 137 N LYS A 11 -9.677 3.286 -0.386 1.00 0.00 N ATOM 138 CA LYS A 11 -9.598 2.046 0.379 1.00 0.00 C ATOM 139 C LYS A 11 -8.405 1.251 -0.099 1.00 0.00 C ATOM 140 O LYS A 11 -8.428 0.680 -1.195 1.00 0.00 O ATOM 141 CB LYS A 11 -10.863 1.218 0.177 1.00 0.00 C ATOM 142 CG LYS A 11 -12.073 1.977 0.721 1.00 0.00 C ATOM 143 CD LYS A 11 -13.350 1.220 0.351 1.00 0.00 C ATOM 144 CE LYS A 11 -13.381 -0.148 1.054 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.648 -0.837 0.722 1.00 0.00 N ATOM 0 H LYS A 11 -10.183 3.213 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.496 2.284 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.003 1.004 -0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.766 0.259 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.997 2.078 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.101 2.985 0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.224 1.804 0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.400 1.083 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.531 -0.752 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.296 -0.018 2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.624 -1.807 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.445 -0.322 1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.767 -0.867 -0.311 1.00 0.00 H new ATOM 159 N CYS A 12 -7.348 1.245 0.681 1.00 0.00 N ATOM 160 CA CYS A 12 -6.143 0.569 0.267 1.00 0.00 C ATOM 161 C CYS A 12 -5.377 0.026 1.443 1.00 0.00 C ATOM 162 O CYS A 12 -5.622 0.399 2.592 1.00 0.00 O ATOM 163 CB CYS A 12 -5.264 1.505 -0.584 1.00 0.00 C ATOM 164 SG CYS A 12 -3.695 1.846 0.262 1.00 0.00 S ATOM 0 H CYS A 12 -7.299 1.695 1.595 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.434 -0.283 -0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.069 1.048 -1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.793 2.439 -0.772 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.778 2.982 0.888 1.00 0.00 H new ATOM 170 N SER A 13 -4.400 -0.782 1.134 1.00 0.00 N ATOM 171 CA SER A 13 -3.496 -1.314 2.112 1.00 0.00 C ATOM 172 C SER A 13 -2.080 -1.152 1.599 1.00 0.00 C ATOM 173 O SER A 13 -1.854 -1.172 0.378 1.00 0.00 O ATOM 174 CB SER A 13 -3.822 -2.785 2.373 1.00 0.00 C ATOM 175 OG SER A 13 -5.178 -2.888 2.813 1.00 0.00 O ATOM 0 H SER A 13 -4.208 -1.093 0.182 1.00 0.00 H new ATOM 0 HA SER A 13 -3.597 -0.777 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.675 -3.370 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.149 -3.192 3.128 1.00 0.00 H new ATOM 0 HG SER A 13 -5.474 -2.023 3.165 1.00 0.00 H new ATOM 181 N HIS A 14 -1.127 -0.939 2.507 1.00 0.00 N ATOM 182 CA HIS A 14 0.254 -0.718 2.092 1.00 0.00 C ATOM 183 C HIS A 14 1.238 -1.586 2.842 1.00 0.00 C ATOM 184 O HIS A 14 1.027 -1.935 4.007 1.00 0.00 O ATOM 185 CB HIS A 14 0.650 0.774 2.171 1.00 0.00 C ATOM 186 CG HIS A 14 1.549 1.062 3.354 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.691 1.833 3.234 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.486 0.698 4.673 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.268 1.904 4.453 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.576 1.227 5.368 1.00 0.00 N ATOM 0 H HIS A 14 -1.283 -0.915 3.515 1.00 0.00 H new ATOM 0 HA HIS A 14 0.304 -1.019 1.046 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.158 1.063 1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.250 1.384 2.243 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.708 0.091 5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.180 2.444 4.661 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.794 1.119 6.358 1.00 0.00 H new ATOM 198 N ILE A 15 2.321 -1.889 2.173 1.00 0.00 N ATOM 199 CA ILE A 15 3.414 -2.638 2.728 1.00 0.00 C ATOM 200 C ILE A 15 4.708 -1.856 2.493 1.00 0.00 C ATOM 201 O ILE A 15 5.022 -1.506 1.357 1.00 0.00 O ATOM 202 CB ILE A 15 3.464 -4.015 2.042 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.195 -4.799 2.387 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.684 -4.808 2.495 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.092 -6.036 1.498 1.00 0.00 C ATOM 0 H ILE A 15 2.469 -1.613 1.202 1.00 0.00 H new ATOM 0 HA ILE A 15 3.286 -2.788 3.800 1.00 0.00 H new ATOM 0 HB ILE A 15 3.532 -3.862 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.213 -5.095 3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.318 -4.167 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.695 -5.777 1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.590 -4.258 2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.641 -4.957 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.187 -6.590 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.053 -5.730 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.962 -6.672 1.658 1.00 0.00 H new ATOM 217 N LEU A 16 5.439 -1.576 3.561 1.00 0.00 N ATOM 218 CA LEU A 16 6.689 -0.824 3.454 1.00 0.00 C ATOM 219 C LEU A 16 7.839 -1.801 3.265 1.00 0.00 C ATOM 220 O LEU A 16 7.946 -2.783 4.012 1.00 0.00 O ATOM 221 CB LEU A 16 6.914 0.023 4.722 1.00 0.00 C ATOM 222 CG LEU A 16 8.151 0.940 4.558 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.887 1.999 3.479 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.446 1.649 5.888 1.00 0.00 C ATOM 0 H LEU A 16 5.193 -1.855 4.511 1.00 0.00 H new ATOM 0 HA LEU A 16 6.636 -0.151 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.030 0.629 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.052 -0.632 5.582 1.00 0.00 H new ATOM 0 HG LEU A 16 9.003 0.328 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.764 2.637 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.680 1.507 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.029 2.606 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.317 2.294 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.585 2.251 6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.646 0.906 6.660 1.00 0.00 H new ATOM 236 N VAL A 17 8.661 -1.557 2.249 1.00 0.00 N ATOM 237 CA VAL A 17 9.784 -2.421 1.921 1.00 0.00 C ATOM 238 C VAL A 17 11.078 -1.612 1.807 1.00 0.00 C ATOM 239 O VAL A 17 11.074 -0.473 1.323 1.00 0.00 O ATOM 240 CB VAL A 17 9.517 -3.195 0.615 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.340 -4.147 0.808 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.194 -2.231 -0.525 1.00 0.00 C ATOM 0 H VAL A 17 8.565 -0.752 1.630 1.00 0.00 H new ATOM 0 HA VAL A 17 9.900 -3.142 2.730 1.00 0.00 H new ATOM 0 HB VAL A 17 10.415 -3.760 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.156 -4.691 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.571 -4.854 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.451 -3.576 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.009 -2.797 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.307 -1.651 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.036 -1.556 -0.681 1.00 0.00 H new ATOM 252 N LYS A 18 12.172 -2.199 2.255 1.00 0.00 N ATOM 253 CA LYS A 18 13.468 -1.555 2.192 1.00 0.00 C ATOM 254 C LYS A 18 13.913 -1.359 0.757 1.00 0.00 C ATOM 255 O LYS A 18 14.614 -0.389 0.443 1.00 0.00 O ATOM 256 CB LYS A 18 14.508 -2.408 2.911 1.00 0.00 C ATOM 257 CG LYS A 18 14.219 -2.433 4.409 1.00 0.00 C ATOM 258 CD LYS A 18 14.079 -3.882 4.888 1.00 0.00 C ATOM 259 CE LYS A 18 15.407 -4.619 4.714 1.00 0.00 C ATOM 260 NZ LYS A 18 16.499 -3.805 5.310 1.00 0.00 N ATOM 0 H LYS A 18 12.187 -3.130 2.670 1.00 0.00 H new ATOM 0 HA LYS A 18 13.378 -0.581 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.496 -3.423 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.506 -2.007 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.024 -1.937 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.304 -1.880 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.778 -3.900 5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.296 -4.387 4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.361 -5.596 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.604 -4.794 3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.300 -4.423 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.809 -3.086 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.152 -3.336 6.171 1.00 0.00 H new ATOM 274 N LYS A 19 13.692 -2.383 -0.047 1.00 0.00 N ATOM 275 CA LYS A 19 14.255 -2.431 -1.381 1.00 0.00 C ATOM 276 C LYS A 19 13.187 -2.673 -2.432 1.00 0.00 C ATOM 277 O LYS A 19 12.185 -3.358 -2.184 1.00 0.00 O ATOM 278 CB LYS A 19 15.328 -3.530 -1.442 1.00 0.00 C ATOM 279 CG LYS A 19 16.453 -3.129 -2.408 1.00 0.00 C ATOM 280 CD LYS A 19 17.584 -4.161 -2.319 1.00 0.00 C ATOM 281 CE LYS A 19 18.755 -3.745 -3.226 1.00 0.00 C ATOM 282 NZ LYS A 19 18.344 -3.829 -4.652 1.00 0.00 N ATOM 0 H LYS A 19 13.125 -3.193 0.203 1.00 0.00 H new ATOM 0 HA LYS A 19 14.708 -1.464 -1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 19 15.739 -3.701 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.878 -4.468 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.072 -3.076 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.829 -2.137 -2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.926 -4.248 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.215 -5.143 -2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.068 -2.728 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.613 -4.393 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.183 -3.747 -5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.878 -4.742 -4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.682 -3.056 -4.869 1.00 0.00 H new ATOM 296 N GLN A 20 13.441 -2.185 -3.629 1.00 0.00 N ATOM 297 CA GLN A 20 12.539 -2.403 -4.740 1.00 0.00 C ATOM 298 C GLN A 20 12.402 -3.891 -5.004 1.00 0.00 C ATOM 299 O GLN A 20 11.318 -4.376 -5.314 1.00 0.00 O ATOM 300 CB GLN A 20 13.044 -1.677 -5.989 1.00 0.00 C ATOM 301 CG GLN A 20 12.876 -0.165 -5.796 1.00 0.00 C ATOM 302 CD GLN A 20 13.397 0.591 -7.008 1.00 0.00 C ATOM 303 OE1 GLN A 20 12.988 1.732 -7.248 1.00 0.00 O ATOM 304 NE2 GLN A 20 14.270 0.041 -7.786 1.00 0.00 N ATOM 0 H GLN A 20 14.268 -1.633 -3.857 1.00 0.00 H new ATOM 0 HA GLN A 20 11.559 -1.999 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 20 14.092 -1.919 -6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.488 -2.008 -6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.824 0.072 -5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.413 0.155 -4.903 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.608 -0.901 -7.588 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.621 0.549 -8.598 1.00 0.00 H new ATOM 313 N GLY A 21 13.485 -4.622 -4.808 1.00 0.00 N ATOM 314 CA GLY A 21 13.463 -6.067 -4.972 1.00 0.00 C ATOM 315 C GLY A 21 12.465 -6.685 -4.015 1.00 0.00 C ATOM 316 O GLY A 21 11.703 -7.580 -4.395 1.00 0.00 O ATOM 0 H GLY A 21 14.391 -4.240 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.199 -6.320 -5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.456 -6.477 -4.788 1.00 0.00 H new ATOM 320 N GLU A 22 12.395 -6.144 -2.806 1.00 0.00 N ATOM 321 CA GLU A 22 11.408 -6.591 -1.844 1.00 0.00 C ATOM 322 C GLU A 22 10.013 -6.243 -2.355 1.00 0.00 C ATOM 323 O GLU A 22 9.094 -7.072 -2.315 1.00 0.00 O ATOM 324 CB GLU A 22 11.650 -5.906 -0.491 1.00 0.00 C ATOM 325 CG GLU A 22 12.959 -6.416 0.139 1.00 0.00 C ATOM 326 CD GLU A 22 13.265 -5.677 1.438 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.466 -4.850 1.845 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.296 -5.951 2.016 1.00 0.00 O ATOM 0 H GLU A 22 13.008 -5.400 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 22 11.491 -7.670 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.700 -4.826 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.814 -6.105 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.880 -7.485 0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.782 -6.280 -0.563 1.00 0.00 H new ATOM 335 N ALA A 23 9.885 -5.038 -2.915 1.00 0.00 N ATOM 336 CA ALA A 23 8.625 -4.599 -3.500 1.00 0.00 C ATOM 337 C ALA A 23 8.199 -5.555 -4.604 1.00 0.00 C ATOM 338 O ALA A 23 7.061 -6.023 -4.636 1.00 0.00 O ATOM 339 CB ALA A 23 8.757 -3.182 -4.065 1.00 0.00 C ATOM 0 H ALA A 23 10.639 -4.353 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 23 7.867 -4.594 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.805 -2.873 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.032 -2.495 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.527 -3.168 -4.836 1.00 0.00 H new ATOM 345 N LEU A 24 9.133 -5.881 -5.477 1.00 0.00 N ATOM 346 CA LEU A 24 8.863 -6.832 -6.541 1.00 0.00 C ATOM 347 C LEU A 24 8.525 -8.191 -5.955 1.00 0.00 C ATOM 348 O LEU A 24 7.600 -8.859 -6.415 1.00 0.00 O ATOM 349 CB LEU A 24 10.065 -6.952 -7.495 1.00 0.00 C ATOM 350 CG LEU A 24 10.053 -5.837 -8.571 1.00 0.00 C ATOM 351 CD1 LEU A 24 9.168 -6.250 -9.751 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.541 -4.516 -7.993 1.00 0.00 C ATOM 0 H LEU A 24 10.081 -5.504 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 24 8.010 -6.467 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.991 -6.896 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.049 -7.928 -7.981 1.00 0.00 H new ATOM 0 HG LEU A 24 11.078 -5.694 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.168 -5.458 -10.500 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.556 -7.168 -10.193 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.150 -6.418 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.544 -3.753 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.525 -4.651 -7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.188 -4.202 -7.174 1.00 0.00 H new ATOM 364 N ALA A 25 9.264 -8.594 -4.929 1.00 0.00 N ATOM 365 CA ALA A 25 9.043 -9.896 -4.308 1.00 0.00 C ATOM 366 C ALA A 25 7.603 -10.031 -3.839 1.00 0.00 C ATOM 367 O ALA A 25 6.925 -11.019 -4.156 1.00 0.00 O ATOM 368 CB ALA A 25 9.998 -10.106 -3.126 1.00 0.00 C ATOM 0 H ALA A 25 10.015 -8.045 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 25 9.242 -10.661 -5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.815 -11.083 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.029 -10.055 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.830 -9.329 -2.380 1.00 0.00 H new ATOM 374 N VAL A 26 7.122 -9.040 -3.108 1.00 0.00 N ATOM 375 CA VAL A 26 5.748 -9.072 -2.647 1.00 0.00 C ATOM 376 C VAL A 26 4.798 -8.999 -3.831 1.00 0.00 C ATOM 377 O VAL A 26 3.792 -9.703 -3.878 1.00 0.00 O ATOM 378 CB VAL A 26 5.466 -7.956 -1.619 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.404 -8.116 -0.427 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.702 -6.581 -2.242 1.00 0.00 C ATOM 0 H VAL A 26 7.654 -8.217 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 26 5.581 -10.018 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 26 4.427 -8.034 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.206 -7.328 0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.240 -9.088 0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.438 -8.046 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.498 -5.807 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.738 -6.504 -2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.038 -6.450 -3.097 1.00 0.00 H new ATOM 390 N GLN A 27 5.147 -8.176 -4.802 1.00 0.00 N ATOM 391 CA GLN A 27 4.327 -8.029 -5.993 1.00 0.00 C ATOM 392 C GLN A 27 4.160 -9.358 -6.704 1.00 0.00 C ATOM 393 O GLN A 27 3.048 -9.723 -7.095 1.00 0.00 O ATOM 394 CB GLN A 27 4.955 -7.011 -6.950 1.00 0.00 C ATOM 395 CG GLN A 27 4.314 -5.639 -6.755 1.00 0.00 C ATOM 396 CD GLN A 27 3.011 -5.572 -7.532 1.00 0.00 C ATOM 397 OE1 GLN A 27 2.376 -6.604 -7.779 1.00 0.00 O ATOM 398 NE2 GLN A 27 2.581 -4.434 -7.952 1.00 0.00 N ATOM 0 H GLN A 27 5.989 -7.601 -4.791 1.00 0.00 H new ATOM 0 HA GLN A 27 3.345 -7.673 -5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.028 -6.948 -6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.822 -7.340 -7.981 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.128 -5.460 -5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.993 -4.857 -7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.106 -3.584 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.715 -4.383 -8.489 1.00 0.00 H new ATOM 407 N GLU A 28 5.256 -10.062 -6.900 1.00 0.00 N ATOM 408 CA GLU A 28 5.222 -11.329 -7.620 1.00 0.00 C ATOM 409 C GLU A 28 4.430 -12.350 -6.837 1.00 0.00 C ATOM 410 O GLU A 28 3.562 -13.044 -7.375 1.00 0.00 O ATOM 411 CB GLU A 28 6.641 -11.856 -7.821 1.00 0.00 C ATOM 412 CG GLU A 28 7.411 -10.933 -8.771 1.00 0.00 C ATOM 413 CD GLU A 28 8.844 -11.402 -8.914 1.00 0.00 C ATOM 414 OE1 GLU A 28 9.151 -12.487 -8.467 1.00 0.00 O ATOM 415 OE2 GLU A 28 9.621 -10.677 -9.483 1.00 0.00 O ATOM 0 H GLU A 28 6.181 -9.784 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 28 4.751 -11.162 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.155 -11.916 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.609 -12.866 -8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.927 -10.919 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.392 -9.911 -8.391 1.00 0.00 H new ATOM 422 N ARG A 29 4.726 -12.413 -5.564 1.00 0.00 N ATOM 423 CA ARG A 29 4.087 -13.337 -4.654 1.00 0.00 C ATOM 424 C ARG A 29 2.596 -13.060 -4.518 1.00 0.00 C ATOM 425 O ARG A 29 1.788 -13.986 -4.455 1.00 0.00 O ATOM 426 CB ARG A 29 4.783 -13.289 -3.307 1.00 0.00 C ATOM 427 CG ARG A 29 4.164 -14.304 -2.357 1.00 0.00 C ATOM 428 CD ARG A 29 4.933 -14.262 -1.051 1.00 0.00 C ATOM 429 NE ARG A 29 4.296 -15.100 -0.066 1.00 0.00 N ATOM 430 CZ ARG A 29 4.572 -14.978 1.218 1.00 0.00 C ATOM 431 NH1 ARG A 29 5.492 -14.151 1.615 1.00 0.00 N ATOM 432 NH2 ARG A 29 3.926 -15.683 2.083 1.00 0.00 N ATOM 0 H ARG A 29 5.426 -11.818 -5.122 1.00 0.00 H new ATOM 0 HA ARG A 29 4.180 -14.343 -5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.846 -13.498 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.702 -12.288 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.113 -14.073 -2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.204 -15.304 -2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.958 -14.596 -1.214 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.986 -13.236 -0.686 1.00 0.00 H new ATOM 0 HE ARG A 29 3.619 -15.801 -0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.005 -13.592 0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.702 -14.060 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.203 -16.333 1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.138 -15.591 3.077 1.00 0.00 H new ATOM 446 N LEU A 30 2.228 -11.792 -4.451 1.00 0.00 N ATOM 447 CA LEU A 30 0.831 -11.429 -4.260 1.00 0.00 C ATOM 448 C LEU A 30 0.014 -12.065 -5.382 1.00 0.00 C ATOM 449 O LEU A 30 -1.108 -12.539 -5.170 1.00 0.00 O ATOM 450 CB LEU A 30 0.679 -9.886 -4.293 1.00 0.00 C ATOM 451 CG LEU A 30 -0.548 -9.413 -3.472 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.784 -10.248 -3.793 1.00 0.00 C ATOM 453 CD2 LEU A 30 -0.250 -9.508 -1.974 1.00 0.00 C ATOM 0 H LEU A 30 2.869 -11.002 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 30 0.476 -11.787 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.583 -9.423 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.576 -9.552 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.748 -8.376 -3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.627 -9.892 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.020 -10.156 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.589 -11.293 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.119 -9.173 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.023 -10.542 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.605 -8.877 -1.732 1.00 0.00 H new ATOM 465 N LYS A 31 0.627 -12.183 -6.550 1.00 0.00 N ATOM 466 CA LYS A 31 -0.042 -12.807 -7.678 1.00 0.00 C ATOM 467 C LYS A 31 -0.347 -14.273 -7.374 1.00 0.00 C ATOM 468 O LYS A 31 -1.167 -14.891 -8.056 1.00 0.00 O ATOM 469 CB LYS A 31 0.798 -12.713 -8.962 1.00 0.00 C ATOM 470 CG LYS A 31 1.417 -11.316 -9.112 1.00 0.00 C ATOM 471 CD LYS A 31 0.346 -10.220 -8.954 1.00 0.00 C ATOM 472 CE LYS A 31 0.863 -8.899 -9.551 1.00 0.00 C ATOM 473 NZ LYS A 31 2.216 -8.600 -9.016 1.00 0.00 N ATOM 0 H LYS A 31 1.575 -11.859 -6.739 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.974 -12.266 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.587 -13.464 -8.940 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.172 -12.933 -9.827 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.198 -11.178 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.892 -11.227 -10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.573 -10.522 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.104 -10.084 -7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.899 -8.970 -10.638 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.178 -8.087 -9.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.197 -7.690 -8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.504 -9.353 -8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.896 -8.546 -9.801 1.00 0.00 H new ATOM 487 N ALA A 32 0.255 -14.809 -6.307 1.00 0.00 N ATOM 488 CA ALA A 32 -0.049 -16.172 -5.877 1.00 0.00 C ATOM 489 C ALA A 32 -1.400 -16.201 -5.193 1.00 0.00 C ATOM 490 O ALA A 32 -2.001 -17.263 -5.017 1.00 0.00 O ATOM 491 CB ALA A 32 1.023 -16.700 -4.915 1.00 0.00 C ATOM 0 H ALA A 32 0.946 -14.325 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.066 -16.812 -6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.771 -17.716 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.992 -16.700 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.069 -16.059 -4.034 1.00 0.00 H new ATOM 497 N GLY A 33 -1.902 -15.022 -4.851 1.00 0.00 N ATOM 498 CA GLY A 33 -3.207 -14.902 -4.221 1.00 0.00 C ATOM 499 C GLY A 33 -3.090 -14.782 -2.711 1.00 0.00 C ATOM 500 O GLY A 33 -4.100 -14.566 -2.020 1.00 0.00 O ATOM 0 H GLY A 33 -1.423 -14.134 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.724 -14.028 -4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.814 -15.772 -4.472 1.00 0.00 H new ATOM 504 N GLU A 34 -1.861 -14.842 -2.190 1.00 0.00 N ATOM 505 CA GLU A 34 -1.665 -14.661 -0.759 1.00 0.00 C ATOM 506 C GLU A 34 -2.178 -13.297 -0.352 1.00 0.00 C ATOM 507 O GLU A 34 -2.205 -12.363 -1.166 1.00 0.00 O ATOM 508 CB GLU A 34 -0.192 -14.803 -0.335 1.00 0.00 C ATOM 509 CG GLU A 34 0.283 -16.255 -0.508 1.00 0.00 C ATOM 510 CD GLU A 34 1.563 -16.474 0.294 1.00 0.00 C ATOM 511 OE1 GLU A 34 1.523 -16.299 1.498 1.00 0.00 O ATOM 512 OE2 GLU A 34 2.564 -16.817 -0.287 1.00 0.00 O ATOM 0 H GLU A 34 -1.010 -15.010 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.222 -15.450 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.430 -14.137 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.076 -14.498 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.491 -16.944 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.462 -16.467 -1.562 1.00 0.00 H new ATOM 519 N LYS A 35 -2.665 -13.196 0.864 1.00 0.00 N ATOM 520 CA LYS A 35 -3.248 -11.958 1.315 1.00 0.00 C ATOM 521 C LYS A 35 -2.215 -10.882 1.550 1.00 0.00 C ATOM 522 O LYS A 35 -1.109 -11.133 2.042 1.00 0.00 O ATOM 523 CB LYS A 35 -4.150 -12.161 2.531 1.00 0.00 C ATOM 524 CG LYS A 35 -5.422 -12.886 2.075 1.00 0.00 C ATOM 525 CD LYS A 35 -6.344 -13.146 3.273 1.00 0.00 C ATOM 526 CE LYS A 35 -7.562 -13.945 2.804 1.00 0.00 C ATOM 527 NZ LYS A 35 -8.256 -13.217 1.707 1.00 0.00 N ATOM 0 H LYS A 35 -2.668 -13.950 1.551 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.882 -11.602 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.633 -12.745 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.402 -11.201 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.944 -12.286 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.160 -13.830 1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.809 -13.696 4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.661 -12.202 3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.250 -14.930 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.247 -14.103 3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.216 -13.599 1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.313 -12.206 1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.725 -13.337 0.821 1.00 0.00 H new ATOM 541 N PHE A 36 -2.601 -9.691 1.199 1.00 0.00 N ATOM 542 CA PHE A 36 -1.771 -8.524 1.282 1.00 0.00 C ATOM 543 C PHE A 36 -1.293 -8.353 2.718 1.00 0.00 C ATOM 544 O PHE A 36 -0.106 -8.167 2.975 1.00 0.00 O ATOM 545 CB PHE A 36 -2.616 -7.326 0.845 1.00 0.00 C ATOM 546 CG PHE A 36 -1.776 -6.091 0.690 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.079 -5.871 -0.504 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.700 -5.160 1.725 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.312 -4.719 -0.661 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.931 -4.011 1.566 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.237 -3.789 0.374 1.00 0.00 C ATOM 0 H PHE A 36 -3.534 -9.498 0.835 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.895 -8.612 0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.110 -7.553 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.400 -7.145 1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.136 -6.595 -1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.236 -5.330 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.223 -4.547 -1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.871 -3.289 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.358 -2.896 0.255 1.00 0.00 H new ATOM 561 N GLY A 37 -2.215 -8.510 3.654 1.00 0.00 N ATOM 562 CA GLY A 37 -1.888 -8.430 5.068 1.00 0.00 C ATOM 563 C GLY A 37 -0.883 -9.501 5.460 1.00 0.00 C ATOM 564 O GLY A 37 0.008 -9.264 6.287 1.00 0.00 O ATOM 0 H GLY A 37 -3.199 -8.694 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.481 -7.445 5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.795 -8.544 5.661 1.00 0.00 H new ATOM 568 N LYS A 38 -1.020 -10.682 4.876 1.00 0.00 N ATOM 569 CA LYS A 38 -0.104 -11.778 5.159 1.00 0.00 C ATOM 570 C LYS A 38 1.304 -11.376 4.743 1.00 0.00 C ATOM 571 O LYS A 38 2.237 -11.415 5.548 1.00 0.00 O ATOM 572 CB LYS A 38 -0.565 -13.045 4.416 1.00 0.00 C ATOM 573 CG LYS A 38 0.314 -14.240 4.805 1.00 0.00 C ATOM 574 CD LYS A 38 -0.279 -15.519 4.200 1.00 0.00 C ATOM 575 CE LYS A 38 0.582 -16.722 4.593 1.00 0.00 C ATOM 576 NZ LYS A 38 1.873 -16.638 3.884 1.00 0.00 N ATOM 0 H LYS A 38 -1.755 -10.906 4.205 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.100 -11.996 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.607 -13.257 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.514 -12.882 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.332 -14.091 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.370 -14.328 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.301 -15.660 4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.326 -15.432 3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.744 -16.733 5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.071 -17.650 4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.374 -17.546 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.705 -16.425 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.452 -15.884 4.306 1.00 0.00 H new ATOM 590 N LEU A 39 1.408 -10.814 3.549 1.00 0.00 N ATOM 591 CA LEU A 39 2.660 -10.262 3.071 1.00 0.00 C ATOM 592 C LEU A 39 3.091 -9.139 3.984 1.00 0.00 C ATOM 593 O LEU A 39 4.282 -8.958 4.247 1.00 0.00 O ATOM 594 CB LEU A 39 2.503 -9.716 1.640 1.00 0.00 C ATOM 595 CG LEU A 39 2.627 -10.847 0.597 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.092 -11.239 0.423 1.00 0.00 C ATOM 597 CD2 LEU A 39 1.810 -12.082 1.014 1.00 0.00 C ATOM 0 H LEU A 39 0.633 -10.729 2.891 1.00 0.00 H new ATOM 0 HA LEU A 39 3.410 -11.053 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.534 -9.228 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.263 -8.958 1.451 1.00 0.00 H new ATOM 0 HG LEU A 39 2.232 -10.476 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.170 -12.038 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.662 -10.374 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.492 -11.585 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.917 -12.861 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.174 -12.452 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.759 -11.809 1.106 1.00 0.00 H new ATOM 609 N ALA A 40 2.129 -8.343 4.420 1.00 0.00 N ATOM 610 CA ALA A 40 2.432 -7.209 5.263 1.00 0.00 C ATOM 611 C ALA A 40 3.128 -7.666 6.530 1.00 0.00 C ATOM 612 O ALA A 40 4.236 -7.221 6.832 1.00 0.00 O ATOM 613 CB ALA A 40 1.163 -6.425 5.610 1.00 0.00 C ATOM 0 H ALA A 40 1.139 -8.463 4.204 1.00 0.00 H new ATOM 0 HA ALA A 40 3.099 -6.547 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.421 -5.578 6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.697 -6.063 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.466 -7.076 6.139 1.00 0.00 H new ATOM 619 N LYS A 41 2.547 -8.638 7.205 1.00 0.00 N ATOM 620 CA LYS A 41 3.181 -9.169 8.405 1.00 0.00 C ATOM 621 C LYS A 41 4.527 -9.758 8.063 1.00 0.00 C ATOM 622 O LYS A 41 5.488 -9.622 8.825 1.00 0.00 O ATOM 623 CB LYS A 41 2.352 -10.285 9.055 1.00 0.00 C ATOM 624 CG LYS A 41 1.057 -9.770 9.688 1.00 0.00 C ATOM 625 CD LYS A 41 0.369 -10.970 10.371 1.00 0.00 C ATOM 626 CE LYS A 41 -0.957 -10.558 11.011 1.00 0.00 C ATOM 627 NZ LYS A 41 -0.762 -9.349 11.842 1.00 0.00 N ATOM 0 H LYS A 41 1.658 -9.071 6.955 1.00 0.00 H new ATOM 0 HA LYS A 41 3.273 -8.334 9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.110 -11.036 8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.952 -10.780 9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.270 -8.985 10.414 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.406 -9.335 8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.193 -11.757 9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.029 -11.386 11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.699 -10.362 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.343 -11.372 11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.524 -9.286 12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.156 -9.406 12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.781 -8.504 11.236 1.00 0.00 H new ATOM 641 N GLU A 42 4.571 -10.480 6.960 1.00 0.00 N ATOM 642 CA GLU A 42 5.752 -11.218 6.569 1.00 0.00 C ATOM 643 C GLU A 42 6.904 -10.328 6.124 1.00 0.00 C ATOM 644 O GLU A 42 8.067 -10.682 6.334 1.00 0.00 O ATOM 645 CB GLU A 42 5.409 -12.210 5.454 1.00 0.00 C ATOM 646 CG GLU A 42 4.566 -13.370 6.008 1.00 0.00 C ATOM 647 CD GLU A 42 4.282 -14.380 4.915 1.00 0.00 C ATOM 648 OE1 GLU A 42 5.033 -14.428 3.975 1.00 0.00 O ATOM 649 OE2 GLU A 42 3.349 -15.131 5.052 1.00 0.00 O ATOM 0 H GLU A 42 3.789 -10.570 6.312 1.00 0.00 H new ATOM 0 HA GLU A 42 6.089 -11.749 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.861 -11.700 4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.325 -12.598 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.094 -13.852 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.629 -12.987 6.412 1.00 0.00 H new ATOM 656 N LEU A 43 6.606 -9.292 5.366 1.00 0.00 N ATOM 657 CA LEU A 43 7.657 -8.504 4.733 1.00 0.00 C ATOM 658 C LEU A 43 7.589 -7.009 5.095 1.00 0.00 C ATOM 659 O LEU A 43 8.611 -6.329 5.117 1.00 0.00 O ATOM 660 CB LEU A 43 7.638 -8.782 3.193 1.00 0.00 C ATOM 661 CG LEU A 43 8.102 -7.593 2.341 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.109 -6.443 2.429 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.494 -7.130 2.757 1.00 0.00 C ATOM 0 H LEU A 43 5.656 -8.974 5.172 1.00 0.00 H new ATOM 0 HA LEU A 43 8.624 -8.819 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.276 -9.640 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.626 -9.056 2.896 1.00 0.00 H new ATOM 0 HG LEU A 43 8.151 -7.926 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.460 -5.612 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.135 -6.774 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.020 -6.118 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.797 -6.287 2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.478 -6.824 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.203 -7.948 2.629 1.00 0.00 H new ATOM 675 N SER A 44 6.404 -6.495 5.389 1.00 0.00 N ATOM 676 CA SER A 44 6.285 -5.063 5.695 1.00 0.00 C ATOM 677 C SER A 44 7.132 -4.672 6.906 1.00 0.00 C ATOM 678 O SER A 44 7.150 -5.384 7.924 1.00 0.00 O ATOM 679 CB SER A 44 4.811 -4.654 5.892 1.00 0.00 C ATOM 680 OG SER A 44 4.394 -4.925 7.223 1.00 0.00 O ATOM 0 H SER A 44 5.531 -7.022 5.424 1.00 0.00 H new ATOM 0 HA SER A 44 6.672 -4.515 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.690 -3.593 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.179 -5.197 5.189 1.00 0.00 H new ATOM 0 HG SER A 44 4.597 -5.858 7.446 1.00 0.00 H new ATOM 686 N ILE A 45 7.844 -3.549 6.787 1.00 0.00 N ATOM 687 CA ILE A 45 8.686 -3.052 7.866 1.00 0.00 C ATOM 688 C ILE A 45 8.049 -1.848 8.557 1.00 0.00 C ATOM 689 O ILE A 45 8.524 -1.397 9.602 1.00 0.00 O ATOM 690 CB ILE A 45 10.075 -2.680 7.336 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.951 -1.574 6.278 1.00 0.00 C ATOM 692 CG2 ILE A 45 10.728 -3.914 6.702 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.336 -1.036 5.922 1.00 0.00 C ATOM 0 H ILE A 45 7.851 -2.968 5.949 1.00 0.00 H new ATOM 0 HA ILE A 45 8.789 -3.851 8.601 1.00 0.00 H new ATOM 0 HB ILE A 45 10.688 -2.322 8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.463 -1.966 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.324 -0.766 6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.716 -3.650 6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.824 -4.700 7.451 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.109 -4.271 5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.240 -0.252 5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.808 -0.627 6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.950 -1.845 5.525 1.00 0.00 H new ATOM 705 N ASP A 46 6.941 -1.364 8.004 1.00 0.00 N ATOM 706 CA ASP A 46 6.219 -0.248 8.607 1.00 0.00 C ATOM 707 C ASP A 46 5.302 -0.773 9.680 1.00 0.00 C ATOM 708 O ASP A 46 4.196 -1.264 9.392 1.00 0.00 O ATOM 709 CB ASP A 46 5.420 0.532 7.542 1.00 0.00 C ATOM 710 CG ASP A 46 4.604 1.678 8.156 1.00 0.00 C ATOM 711 OD1 ASP A 46 4.551 1.787 9.367 1.00 0.00 O ATOM 712 OD2 ASP A 46 4.031 2.434 7.397 1.00 0.00 O ATOM 0 H ASP A 46 6.525 -1.724 7.145 1.00 0.00 H new ATOM 0 HA ASP A 46 6.937 0.442 9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.107 0.935 6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.749 -0.151 7.020 1.00 0.00 H new ATOM 717 N GLY A 47 5.779 -0.703 10.916 1.00 0.00 N ATOM 718 CA GLY A 47 5.046 -1.236 12.042 1.00 0.00 C ATOM 719 C GLY A 47 3.672 -0.628 12.116 1.00 0.00 C ATOM 720 O GLY A 47 2.676 -1.350 12.163 1.00 0.00 O ATOM 0 H GLY A 47 6.675 -0.279 11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.966 -2.319 11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.589 -1.034 12.965 1.00 0.00 H new ATOM 724 N GLY A 48 3.601 0.688 11.970 1.00 0.00 N ATOM 725 CA GLY A 48 2.319 1.372 11.957 1.00 0.00 C ATOM 726 C GLY A 48 1.338 0.603 11.100 1.00 0.00 C ATOM 727 O GLY A 48 0.285 0.166 11.580 1.00 0.00 O ATOM 0 H GLY A 48 4.411 1.298 11.860 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.935 1.464 12.973 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.440 2.384 11.569 1.00 0.00 H new ATOM 731 N SER A 49 1.707 0.378 9.856 1.00 0.00 N ATOM 732 CA SER A 49 0.879 -0.405 8.963 1.00 0.00 C ATOM 733 C SER A 49 0.868 -1.892 9.326 1.00 0.00 C ATOM 734 O SER A 49 -0.152 -2.566 9.166 1.00 0.00 O ATOM 735 CB SER A 49 1.306 -0.203 7.523 1.00 0.00 C ATOM 736 OG SER A 49 2.703 -0.007 7.461 1.00 0.00 O ATOM 0 H SER A 49 2.572 0.725 9.441 1.00 0.00 H new ATOM 0 HA SER A 49 -0.144 -0.046 9.079 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.024 -1.070 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.790 0.658 7.098 1.00 0.00 H new ATOM 0 HG SER A 49 3.144 -0.583 8.120 1.00 0.00 H new ATOM 742 N ALA A 50 1.989 -2.393 9.848 1.00 0.00 N ATOM 743 CA ALA A 50 2.096 -3.804 10.222 1.00 0.00 C ATOM 744 C ALA A 50 1.067 -4.136 11.270 1.00 0.00 C ATOM 745 O ALA A 50 0.461 -5.206 11.250 1.00 0.00 O ATOM 746 CB ALA A 50 3.491 -4.123 10.758 1.00 0.00 C ATOM 0 H ALA A 50 2.832 -1.845 10.021 1.00 0.00 H new ATOM 0 HA ALA A 50 1.920 -4.406 9.331 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.544 -5.177 11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.234 -3.907 9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.691 -3.512 11.638 1.00 0.00 H new ATOM 752 N LYS A 51 0.803 -3.172 12.125 1.00 0.00 N ATOM 753 CA LYS A 51 -0.204 -3.315 13.162 1.00 0.00 C ATOM 754 C LYS A 51 -1.536 -3.608 12.498 1.00 0.00 C ATOM 755 O LYS A 51 -2.348 -4.385 13.002 1.00 0.00 O ATOM 756 CB LYS A 51 -0.291 -2.006 13.957 1.00 0.00 C ATOM 757 CG LYS A 51 1.026 -1.806 14.730 1.00 0.00 C ATOM 758 CD LYS A 51 1.012 -0.471 15.477 1.00 0.00 C ATOM 759 CE LYS A 51 2.370 -0.275 16.174 1.00 0.00 C ATOM 760 NZ LYS A 51 2.424 1.061 16.819 1.00 0.00 N ATOM 0 H LYS A 51 1.277 -2.269 12.124 1.00 0.00 H new ATOM 0 HA LYS A 51 0.055 -4.128 13.841 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.465 -1.166 13.284 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.133 -2.040 14.648 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.167 -2.623 15.437 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.868 -1.834 14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.823 0.348 14.782 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.206 -0.458 16.211 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.520 -1.054 16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.177 -0.370 15.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.345 1.184 17.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.301 1.800 16.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.664 1.137 17.525 1.00 0.00 H new ATOM 774 N ARG A 52 -1.743 -2.994 11.353 1.00 0.00 N ATOM 775 CA ARG A 52 -2.951 -3.199 10.575 1.00 0.00 C ATOM 776 C ARG A 52 -2.726 -4.209 9.453 1.00 0.00 C ATOM 777 O ARG A 52 -3.530 -4.293 8.532 1.00 0.00 O ATOM 778 CB ARG A 52 -3.415 -1.886 9.966 1.00 0.00 C ATOM 779 CG ARG A 52 -3.827 -0.908 11.067 1.00 0.00 C ATOM 780 CD ARG A 52 -4.242 0.404 10.412 1.00 0.00 C ATOM 781 NE ARG A 52 -5.402 0.175 9.549 1.00 0.00 N ATOM 782 CZ ARG A 52 -6.626 0.583 9.864 1.00 0.00 C ATOM 783 NH1 ARG A 52 -6.838 1.251 10.961 1.00 0.00 N ATOM 784 NH2 ARG A 52 -7.611 0.307 9.069 1.00 0.00 N ATOM 0 H ARG A 52 -1.082 -2.340 10.934 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.712 -3.587 11.252 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.615 -1.453 9.366 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.256 -2.065 9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.651 -1.318 11.650 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.000 -0.743 11.757 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.484 1.143 11.176 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.415 0.808 9.828 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.264 -0.319 8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.061 1.465 11.586 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.781 1.561 11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.442 -0.219 8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.555 0.615 9.301 1.00 0.00 H new ATOM 798 N ASP A 53 -1.569 -4.848 9.441 1.00 0.00 N ATOM 799 CA ASP A 53 -1.190 -5.731 8.330 1.00 0.00 C ATOM 800 C ASP A 53 -1.189 -4.939 7.035 1.00 0.00 C ATOM 801 O ASP A 53 -1.587 -5.440 5.986 1.00 0.00 O ATOM 802 CB ASP A 53 -2.182 -6.899 8.163 1.00 0.00 C ATOM 803 CG ASP A 53 -2.146 -7.849 9.332 1.00 0.00 C ATOM 804 OD1 ASP A 53 -1.297 -7.704 10.183 1.00 0.00 O ATOM 805 OD2 ASP A 53 -2.994 -8.716 9.370 1.00 0.00 O ATOM 0 H ASP A 53 -0.871 -4.778 10.182 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.202 -6.132 8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.191 -6.503 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.949 -7.443 7.248 1.00 0.00 H new ATOM 810 N GLY A 54 -0.867 -3.674 7.130 1.00 0.00 N ATOM 811 CA GLY A 54 -0.914 -2.803 5.970 1.00 0.00 C ATOM 812 C GLY A 54 -2.345 -2.427 5.621 1.00 0.00 C ATOM 813 O GLY A 54 -2.571 -1.564 4.775 1.00 0.00 O ATOM 0 H GLY A 54 -0.570 -3.220 7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.336 -1.900 6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.448 -3.301 5.119 1.00 0.00 H new ATOM 817 N SER A 55 -3.312 -3.037 6.309 1.00 0.00 N ATOM 818 CA SER A 55 -4.720 -2.751 6.069 1.00 0.00 C ATOM 819 C SER A 55 -5.062 -1.323 6.476 1.00 0.00 C ATOM 820 O SER A 55 -5.719 -1.082 7.500 1.00 0.00 O ATOM 821 CB SER A 55 -5.609 -3.755 6.808 1.00 0.00 C ATOM 822 OG SER A 55 -4.958 -5.028 6.832 1.00 0.00 O ATOM 0 H SER A 55 -3.142 -3.732 7.036 1.00 0.00 H new ATOM 0 HA SER A 55 -4.909 -2.850 5.000 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.800 -3.411 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.576 -3.837 6.312 1.00 0.00 H new ATOM 0 HG SER A 55 -4.488 -5.139 7.685 1.00 0.00 H new ATOM 828 N LEU A 56 -4.608 -0.378 5.681 1.00 0.00 N ATOM 829 CA LEU A 56 -4.858 1.023 5.945 1.00 0.00 C ATOM 830 C LEU A 56 -6.354 1.298 5.869 1.00 0.00 C ATOM 831 O LEU A 56 -6.905 2.004 6.709 1.00 0.00 O ATOM 832 CB LEU A 56 -4.091 1.885 4.948 1.00 0.00 C ATOM 833 CG LEU A 56 -2.580 1.739 5.205 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.806 2.408 4.087 1.00 0.00 C ATOM 835 CD2 LEU A 56 -2.196 2.388 6.533 1.00 0.00 C ATOM 0 H LEU A 56 -4.059 -0.557 4.840 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.511 1.274 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.329 1.581 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.389 2.929 5.047 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.338 0.677 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.737 2.303 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.058 1.937 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.065 3.466 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.124 2.275 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.449 3.448 6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.740 1.905 7.345 1.00 0.00 H new ATOM 847 N GLY A 57 -7.016 0.683 4.895 1.00 0.00 N ATOM 848 CA GLY A 57 -8.467 0.814 4.750 1.00 0.00 C ATOM 849 C GLY A 57 -8.819 2.075 3.992 1.00 0.00 C ATOM 850 O GLY A 57 -8.072 2.489 3.103 1.00 0.00 O ATOM 0 H GLY A 57 -6.574 0.089 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.864 -0.054 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.935 0.833 5.734 1.00 0.00 H new ATOM 854 N TYR A 58 -9.932 2.712 4.354 1.00 0.00 N ATOM 855 CA TYR A 58 -10.314 3.959 3.696 1.00 0.00 C ATOM 856 C TYR A 58 -9.588 5.115 4.349 1.00 0.00 C ATOM 857 O TYR A 58 -9.638 5.280 5.577 1.00 0.00 O ATOM 858 CB TYR A 58 -11.839 4.238 3.755 1.00 0.00 C ATOM 859 CG TYR A 58 -12.594 3.196 4.559 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.370 3.067 5.935 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.543 2.380 3.930 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.088 2.123 6.673 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.263 1.443 4.669 1.00 0.00 C ATOM 864 CZ TYR A 58 -14.037 1.312 6.040 1.00 0.00 C ATOM 865 OH TYR A 58 -14.756 0.391 6.771 1.00 0.00 O ATOM 0 H TYR A 58 -10.572 2.394 5.082 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.038 3.856 2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -12.008 5.222 4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.238 4.268 2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.643 3.697 6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.717 2.477 2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.911 2.019 7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.996 0.818 4.181 1.00 0.00 H new ATOM 0 HH TYR A 58 -15.372 -0.088 6.178 1.00 0.00 H new ATOM 875 N PHE A 59 -8.949 5.933 3.546 1.00 0.00 N ATOM 876 CA PHE A 59 -8.230 7.089 4.059 1.00 0.00 C ATOM 877 C PHE A 59 -8.409 8.272 3.140 1.00 0.00 C ATOM 878 O PHE A 59 -8.672 8.106 1.947 1.00 0.00 O ATOM 879 CB PHE A 59 -6.734 6.771 4.220 1.00 0.00 C ATOM 880 CG PHE A 59 -6.129 6.451 2.872 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.593 7.476 2.085 1.00 0.00 C ATOM 882 CD2 PHE A 59 -6.105 5.133 2.409 1.00 0.00 C ATOM 883 CE1 PHE A 59 -5.034 7.182 0.841 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.543 4.840 1.168 1.00 0.00 C ATOM 885 CZ PHE A 59 -5.008 5.866 0.383 1.00 0.00 C ATOM 0 H PHE A 59 -8.909 5.824 2.533 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.641 7.337 5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.219 7.621 4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.603 5.927 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.612 8.496 2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.522 4.341 3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.622 7.974 0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.521 3.820 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.574 5.638 -0.579 1.00 0.00 H new ATOM 895 N GLY A 60 -8.298 9.462 3.691 1.00 0.00 N ATOM 896 CA GLY A 60 -8.458 10.671 2.913 1.00 0.00 C ATOM 897 C GLY A 60 -7.106 11.157 2.390 1.00 0.00 C ATOM 898 O GLY A 60 -6.055 10.668 2.817 1.00 0.00 O ATOM 0 H GLY A 60 -8.097 9.618 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.132 10.485 2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.917 11.447 3.526 1.00 0.00 H new ATOM 902 N ARG A 61 -7.132 12.135 1.496 1.00 0.00 N ATOM 903 CA ARG A 61 -5.917 12.699 0.909 1.00 0.00 C ATOM 904 C ARG A 61 -5.246 13.654 1.867 1.00 0.00 C ATOM 905 O ARG A 61 -5.906 14.324 2.653 1.00 0.00 O ATOM 906 CB ARG A 61 -6.251 13.427 -0.386 1.00 0.00 C ATOM 907 CG ARG A 61 -6.543 12.410 -1.493 1.00 0.00 C ATOM 908 CD ARG A 61 -7.554 13.002 -2.473 1.00 0.00 C ATOM 909 NE ARG A 61 -8.886 12.507 -2.128 1.00 0.00 N ATOM 910 CZ ARG A 61 -9.704 13.152 -1.288 1.00 0.00 C ATOM 911 NH1 ARG A 61 -9.396 14.347 -0.860 1.00 0.00 N ATOM 912 NH2 ARG A 61 -10.815 12.594 -0.922 1.00 0.00 N ATOM 0 H ARG A 61 -7.993 12.562 1.155 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.231 11.878 0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.115 14.074 -0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.419 14.068 -0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.622 12.151 -2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.935 11.489 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.532 14.091 -2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.299 12.721 -3.495 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.205 11.633 -2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.530 14.791 -1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.021 14.836 -0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.061 11.669 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.443 13.080 -0.282 1.00 0.00 H new ATOM 926 N GLY A 62 -3.942 13.728 1.781 1.00 0.00 N ATOM 927 CA GLY A 62 -3.160 14.606 2.641 1.00 0.00 C ATOM 928 C GLY A 62 -2.551 13.811 3.776 1.00 0.00 C ATOM 929 O GLY A 62 -1.425 14.065 4.200 1.00 0.00 O ATOM 0 H GLY A 62 -3.386 13.187 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.373 15.090 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.795 15.397 3.040 1.00 0.00 H new ATOM 933 N LYS A 63 -3.268 12.791 4.209 1.00 0.00 N ATOM 934 CA LYS A 63 -2.768 11.879 5.224 1.00 0.00 C ATOM 935 C LYS A 63 -1.551 11.112 4.711 1.00 0.00 C ATOM 936 O LYS A 63 -0.629 10.808 5.471 1.00 0.00 O ATOM 937 CB LYS A 63 -3.877 10.927 5.699 1.00 0.00 C ATOM 938 CG LYS A 63 -4.888 11.723 6.543 1.00 0.00 C ATOM 939 CD LYS A 63 -6.017 10.809 7.034 1.00 0.00 C ATOM 940 CE LYS A 63 -6.923 11.581 8.014 1.00 0.00 C ATOM 941 NZ LYS A 63 -7.307 12.898 7.437 1.00 0.00 N ATOM 0 H LYS A 63 -4.205 12.571 3.872 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.449 12.466 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.376 10.472 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.450 10.115 6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.382 12.176 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.304 12.538 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.603 10.452 6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.599 9.931 7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.817 10.997 8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.403 11.729 8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.126 13.278 7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.508 13.559 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.556 12.778 6.434 1.00 0.00 H new ATOM 955 N MET A 64 -1.587 10.759 3.441 1.00 0.00 N ATOM 956 CA MET A 64 -0.518 9.982 2.810 1.00 0.00 C ATOM 957 C MET A 64 0.362 10.911 1.985 1.00 0.00 C ATOM 958 O MET A 64 -0.070 12.005 1.610 1.00 0.00 O ATOM 959 CB MET A 64 -1.124 8.920 1.880 1.00 0.00 C ATOM 960 CG MET A 64 -2.523 8.525 2.371 1.00 0.00 C ATOM 961 SD MET A 64 -2.441 7.873 4.059 1.00 0.00 S ATOM 962 CE MET A 64 -2.704 6.129 3.644 1.00 0.00 C ATOM 0 H MET A 64 -2.353 10.998 2.812 1.00 0.00 H new ATOM 0 HA MET A 64 0.074 9.495 3.586 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.183 9.307 0.863 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.479 8.042 1.850 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.184 9.391 2.341 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.950 7.775 1.705 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.223 5.634 4.465 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.306 6.057 2.738 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.741 5.645 3.479 1.00 0.00 H new ATOM 972 N VAL A 65 1.581 10.486 1.680 1.00 0.00 N ATOM 973 CA VAL A 65 2.461 11.286 0.833 1.00 0.00 C ATOM 974 C VAL A 65 2.005 11.191 -0.626 1.00 0.00 C ATOM 975 O VAL A 65 1.370 10.203 -1.022 1.00 0.00 O ATOM 976 CB VAL A 65 3.930 10.832 0.970 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.442 11.112 2.390 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.054 9.332 0.669 1.00 0.00 C ATOM 0 H VAL A 65 1.981 9.604 2.001 1.00 0.00 H new ATOM 0 HA VAL A 65 2.402 12.324 1.159 1.00 0.00 H new ATOM 0 HB VAL A 65 4.531 11.392 0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.479 10.787 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.379 12.181 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.832 10.567 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.095 9.026 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.440 8.768 1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.714 9.136 -0.348 1.00 0.00 H new ATOM 988 N LYS A 66 2.310 12.216 -1.418 1.00 0.00 N ATOM 989 CA LYS A 66 1.892 12.249 -2.821 1.00 0.00 C ATOM 990 C LYS A 66 2.125 10.899 -3.509 1.00 0.00 C ATOM 991 O LYS A 66 1.219 10.368 -4.153 1.00 0.00 O ATOM 992 CB LYS A 66 2.624 13.363 -3.590 1.00 0.00 C ATOM 993 CG LYS A 66 1.810 14.664 -3.534 1.00 0.00 C ATOM 994 CD LYS A 66 2.547 15.768 -4.310 1.00 0.00 C ATOM 995 CE LYS A 66 1.528 16.707 -4.973 1.00 0.00 C ATOM 996 NZ LYS A 66 0.464 17.067 -4.001 1.00 0.00 N ATOM 0 H LYS A 66 2.842 13.032 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 66 0.822 12.459 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.612 13.524 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.773 13.062 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.820 14.504 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.664 14.969 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.190 16.333 -3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.193 15.324 -5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.028 17.608 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.088 16.223 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.076 18.002 -4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.295 16.357 -4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.865 17.094 -3.042 1.00 0.00 H new ATOM 1010 N PRO A 67 3.308 10.336 -3.389 1.00 0.00 N ATOM 1011 CA PRO A 67 3.607 9.025 -4.046 1.00 0.00 C ATOM 1012 C PRO A 67 2.595 7.970 -3.632 1.00 0.00 C ATOM 1013 O PRO A 67 2.129 7.169 -4.452 1.00 0.00 O ATOM 1014 CB PRO A 67 4.993 8.656 -3.498 1.00 0.00 C ATOM 1015 CG PRO A 67 5.626 9.962 -3.158 1.00 0.00 C ATOM 1016 CD PRO A 67 4.497 10.870 -2.688 1.00 0.00 C ATOM 0 HA PRO A 67 3.569 9.085 -5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.914 8.014 -2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.580 8.113 -4.239 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.378 9.839 -2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.132 10.387 -4.025 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.375 10.831 -1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.684 11.911 -2.951 1.00 0.00 H new ATOM 1024 N PHE A 68 2.258 7.982 -2.354 1.00 0.00 N ATOM 1025 CA PHE A 68 1.301 7.037 -1.813 1.00 0.00 C ATOM 1026 C PHE A 68 -0.047 7.236 -2.476 1.00 0.00 C ATOM 1027 O PHE A 68 -0.667 6.285 -2.958 1.00 0.00 O ATOM 1028 CB PHE A 68 1.157 7.232 -0.302 1.00 0.00 C ATOM 1029 CG PHE A 68 0.382 6.084 0.269 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -1.015 6.080 0.228 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.069 5.006 0.833 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.720 4.994 0.751 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.370 3.929 1.349 1.00 0.00 C ATOM 1034 CZ PHE A 68 -1.025 3.921 1.313 1.00 0.00 C ATOM 0 H PHE A 68 2.635 8.639 -1.671 1.00 0.00 H new ATOM 0 HA PHE A 68 1.660 6.027 -2.009 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.140 7.291 0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.647 8.172 -0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.547 6.913 -0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.148 5.013 0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.800 4.984 0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.904 3.095 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.569 3.082 1.721 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.476 8.494 -2.546 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.749 8.819 -3.165 1.00 0.00 C ATOM 1046 C GLU A 69 -1.714 8.484 -4.641 1.00 0.00 C ATOM 1047 O GLU A 69 -2.671 7.921 -5.189 1.00 0.00 O ATOM 1048 CB GLU A 69 -2.110 10.298 -2.959 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.444 10.549 -1.474 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.817 12.008 -1.230 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -2.884 12.761 -2.179 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -3.027 12.353 -0.092 1.00 0.00 O ATOM 0 H GLU A 69 0.038 9.297 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.521 8.218 -2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.278 10.932 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.962 10.565 -3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.269 9.905 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.587 10.282 -0.856 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.577 8.745 -5.262 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.405 8.429 -6.663 1.00 0.00 C ATOM 1061 C ASP A 70 -0.702 6.969 -6.903 1.00 0.00 C ATOM 1062 O ASP A 70 -1.540 6.628 -7.738 1.00 0.00 O ATOM 1063 CB ASP A 70 1.036 8.725 -7.094 1.00 0.00 C ATOM 1064 CG ASP A 70 1.314 8.107 -8.445 1.00 0.00 C ATOM 1065 OD1 ASP A 70 0.756 8.559 -9.414 1.00 0.00 O ATOM 1066 OD2 ASP A 70 2.091 7.177 -8.491 1.00 0.00 O ATOM 0 H ASP A 70 0.235 9.173 -4.818 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.093 9.042 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.196 9.802 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.733 8.330 -6.355 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.074 6.114 -6.117 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.307 4.685 -6.235 1.00 0.00 C ATOM 1073 C ALA A 71 -1.737 4.329 -5.864 1.00 0.00 C ATOM 1074 O ALA A 71 -2.361 3.481 -6.508 1.00 0.00 O ATOM 1075 CB ALA A 71 0.671 3.906 -5.355 1.00 0.00 C ATOM 0 H ALA A 71 0.596 6.380 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.144 4.408 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.481 2.838 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.693 4.124 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.538 4.200 -4.314 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.241 4.951 -4.811 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.578 4.643 -4.326 1.00 0.00 C ATOM 1083 C ALA A 72 -4.624 4.860 -5.411 1.00 0.00 C ATOM 1084 O ALA A 72 -5.462 3.996 -5.659 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.908 5.490 -3.098 1.00 0.00 C ATOM 0 H ALA A 72 -1.749 5.668 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.596 3.590 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.911 5.248 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.187 5.281 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.861 6.547 -3.362 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.568 6.011 -6.063 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.501 6.316 -7.142 1.00 0.00 C ATOM 1093 C PHE A 73 -5.264 5.416 -8.348 1.00 0.00 C ATOM 1094 O PHE A 73 -6.208 5.004 -9.023 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.432 7.793 -7.538 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.047 8.628 -6.441 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.428 8.644 -6.275 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.231 9.375 -5.583 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -8.002 9.402 -5.253 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -5.805 10.136 -4.563 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.192 10.145 -4.399 1.00 0.00 C ATOM 0 H PHE A 73 -3.890 6.748 -5.867 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.506 6.119 -6.770 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.396 8.091 -7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.962 7.956 -8.476 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.057 8.069 -6.938 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.159 9.363 -5.710 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.074 9.412 -5.125 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.178 10.716 -3.902 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.637 10.730 -3.608 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.005 5.094 -8.592 1.00 0.00 N ATOM 1112 CA ARG A 74 -3.616 4.247 -9.717 1.00 0.00 C ATOM 1113 C ARG A 74 -4.251 2.859 -9.640 1.00 0.00 C ATOM 1114 O ARG A 74 -4.543 2.252 -10.672 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.078 4.114 -9.772 1.00 0.00 C ATOM 1116 CG ARG A 74 -1.449 5.390 -10.355 1.00 0.00 C ATOM 1117 CD ARG A 74 0.052 5.453 -10.020 1.00 0.00 C ATOM 1118 NE ARG A 74 0.715 4.163 -10.215 1.00 0.00 N ATOM 1119 CZ ARG A 74 1.907 3.904 -9.650 1.00 0.00 C ATOM 1120 NH1 ARG A 74 2.535 4.833 -8.977 1.00 0.00 N ATOM 1121 NH2 ARG A 74 2.443 2.733 -9.767 1.00 0.00 N ATOM 0 H ARG A 74 -3.222 5.409 -8.020 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.979 4.727 -10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.686 3.933 -8.771 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.803 3.254 -10.382 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.587 5.410 -11.436 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.954 6.268 -9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.531 6.205 -10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.179 5.772 -8.986 1.00 0.00 H new ATOM 0 HE ARG A 74 0.266 3.449 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.121 5.760 -8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.439 4.631 -8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.961 2.001 -10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.348 2.541 -9.337 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.333 2.300 -8.446 1.00 0.00 N ATOM 1136 CA LEU A 75 -4.784 0.915 -8.304 1.00 0.00 C ATOM 1137 C LEU A 75 -6.246 0.792 -7.968 1.00 0.00 C ATOM 1138 O LEU A 75 -6.662 -0.252 -7.468 1.00 0.00 O ATOM 1139 CB LEU A 75 -4.009 0.178 -7.235 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.517 0.327 -7.427 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -1.854 -0.363 -6.264 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.080 -0.345 -8.733 1.00 0.00 C ATOM 0 H LEU A 75 -4.099 2.769 -7.571 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.607 0.471 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.290 0.559 -6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.275 -0.879 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.240 1.380 -7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.771 -0.281 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.172 0.107 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.138 -1.415 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.003 -0.230 -8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.330 -1.405 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.595 0.122 -9.573 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.033 1.827 -8.166 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.432 1.703 -7.784 1.00 0.00 C ATOM 1156 C GLN A 76 -9.068 0.477 -8.439 1.00 0.00 C ATOM 1157 O GLN A 76 -10.013 -0.100 -7.901 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.241 2.969 -8.053 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.780 4.071 -7.095 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.668 5.299 -7.233 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.633 5.285 -8.000 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -9.427 6.348 -6.517 1.00 0.00 N ATOM 0 H GLN A 76 -6.754 2.722 -8.568 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.451 1.563 -6.703 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.107 3.289 -9.086 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.304 2.772 -7.916 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.811 3.706 -6.069 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.745 4.337 -7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.629 6.360 -5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.035 7.164 -6.587 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.470 0.027 -9.539 1.00 0.00 N ATOM 1172 CA VAL A 77 -8.910 -1.184 -10.214 1.00 0.00 C ATOM 1173 C VAL A 77 -8.829 -2.400 -9.278 1.00 0.00 C ATOM 1174 O VAL A 77 -9.595 -3.349 -9.427 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.080 -1.413 -11.495 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -6.603 -1.648 -11.145 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -8.617 -2.629 -12.253 1.00 0.00 C ATOM 0 H VAL A 77 -7.675 0.488 -9.982 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.955 -1.059 -10.499 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.161 -0.524 -12.121 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.033 -1.808 -12.060 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.210 -0.777 -10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.516 -2.526 -10.506 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.027 -2.785 -13.156 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.549 -3.512 -11.618 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.658 -2.457 -12.526 1.00 0.00 H new ATOM 1187 N GLY A 78 -7.922 -2.357 -8.298 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.783 -3.452 -7.327 1.00 0.00 C ATOM 1189 C GLY A 78 -6.382 -4.051 -7.329 1.00 0.00 C ATOM 1190 O GLY A 78 -6.100 -4.992 -6.580 1.00 0.00 O ATOM 0 H GLY A 78 -7.275 -1.582 -8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.016 -3.081 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.510 -4.232 -7.555 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.539 -3.545 -8.207 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.206 -4.101 -8.432 1.00 0.00 C ATOM 1196 C GLU A 79 -3.207 -3.761 -7.328 1.00 0.00 C ATOM 1197 O GLU A 79 -3.489 -2.953 -6.437 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.668 -3.631 -9.785 1.00 0.00 C ATOM 1199 CG GLU A 79 -3.592 -4.807 -10.760 1.00 0.00 C ATOM 1200 CD GLU A 79 -2.196 -5.400 -10.759 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -1.690 -5.682 -9.693 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -1.652 -5.567 -11.827 1.00 0.00 O ATOM 0 H GLU A 79 -5.753 -2.735 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.318 -5.185 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.315 -2.853 -10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.679 -3.190 -9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.319 -5.569 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.852 -4.473 -11.764 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.014 -4.354 -7.444 1.00 0.00 N ATOM 1210 CA VAL A 80 -0.892 -4.073 -6.555 1.00 0.00 C ATOM 1211 C VAL A 80 0.011 -3.045 -7.232 1.00 0.00 C ATOM 1212 O VAL A 80 0.311 -3.172 -8.426 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.069 -5.348 -6.303 1.00 0.00 C ATOM 1214 CG1 VAL A 80 0.902 -5.128 -5.137 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -0.971 -6.544 -6.000 1.00 0.00 C ATOM 0 H VAL A 80 -1.803 -5.046 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.274 -3.701 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 80 0.493 -5.565 -7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.479 -6.037 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.579 -4.308 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.339 -4.882 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.357 -7.428 -5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.565 -6.335 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.635 -6.723 -6.846 1.00 0.00 H new ATOM 1225 N SER A 81 0.420 -2.026 -6.508 1.00 0.00 N ATOM 1226 CA SER A 81 1.258 -0.997 -7.099 1.00 0.00 C ATOM 1227 C SER A 81 2.626 -1.533 -7.431 1.00 0.00 C ATOM 1228 O SER A 81 3.186 -2.359 -6.694 1.00 0.00 O ATOM 1229 CB SER A 81 1.421 0.205 -6.153 1.00 0.00 C ATOM 1230 OG SER A 81 1.286 -0.223 -4.804 1.00 0.00 O ATOM 0 H SER A 81 0.192 -1.885 -5.524 1.00 0.00 H new ATOM 0 HA SER A 81 0.759 -0.674 -8.013 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.397 0.667 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.672 0.963 -6.381 1.00 0.00 H new ATOM 0 HG SER A 81 0.336 -0.320 -4.585 1.00 0.00 H new ATOM 1236 N GLU A 82 3.231 -0.925 -8.415 1.00 0.00 N ATOM 1237 CA GLU A 82 4.620 -1.124 -8.676 1.00 0.00 C ATOM 1238 C GLU A 82 5.357 -0.560 -7.471 1.00 0.00 C ATOM 1239 O GLU A 82 4.728 0.043 -6.600 1.00 0.00 O ATOM 1240 CB GLU A 82 5.007 -0.347 -9.944 1.00 0.00 C ATOM 1241 CG GLU A 82 4.020 -0.684 -11.072 1.00 0.00 C ATOM 1242 CD GLU A 82 2.873 0.310 -11.099 1.00 0.00 C ATOM 1243 OE1 GLU A 82 2.049 0.273 -10.207 1.00 0.00 O ATOM 1244 OE2 GLU A 82 2.833 1.112 -11.992 1.00 0.00 O ATOM 0 H GLU A 82 2.770 -0.279 -9.055 1.00 0.00 H new ATOM 0 HA GLU A 82 4.865 -2.175 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.996 0.725 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.022 -0.604 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.539 -0.674 -12.031 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.630 -1.692 -10.931 1.00 0.00 H new ATOM 1251 N PRO A 83 6.639 -0.656 -7.415 1.00 0.00 N ATOM 1252 CA PRO A 83 7.357 -0.052 -6.267 1.00 0.00 C ATOM 1253 C PRO A 83 7.021 1.434 -6.172 1.00 0.00 C ATOM 1254 O PRO A 83 7.020 2.148 -7.185 1.00 0.00 O ATOM 1255 CB PRO A 83 8.830 -0.250 -6.626 1.00 0.00 C ATOM 1256 CG PRO A 83 8.850 -1.482 -7.468 1.00 0.00 C ATOM 1257 CD PRO A 83 7.508 -1.532 -8.212 1.00 0.00 C ATOM 0 HA PRO A 83 7.094 -0.495 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.224 0.608 -7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.443 -0.370 -5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.682 -1.456 -8.172 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.983 -2.370 -6.850 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.605 -1.176 -9.238 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.115 -2.548 -8.263 1.00 0.00 H new ATOM 1265 N VAL A 84 6.733 1.892 -4.971 1.00 0.00 N ATOM 1266 CA VAL A 84 6.403 3.287 -4.741 1.00 0.00 C ATOM 1267 C VAL A 84 7.391 3.859 -3.761 1.00 0.00 C ATOM 1268 O VAL A 84 7.596 3.289 -2.698 1.00 0.00 O ATOM 1269 CB VAL A 84 4.976 3.389 -4.171 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.692 4.806 -3.654 1.00 0.00 C ATOM 1271 CG2 VAL A 84 3.961 3.030 -5.256 1.00 0.00 C ATOM 0 H VAL A 84 6.720 1.314 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 84 6.449 3.845 -5.676 1.00 0.00 H new ATOM 0 HB VAL A 84 4.889 2.692 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.678 4.852 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.402 5.055 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.794 5.519 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.952 3.103 -4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.065 3.719 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.141 2.011 -5.600 1.00 0.00 H new ATOM 1281 N LYS A 85 7.983 4.986 -4.084 1.00 0.00 N ATOM 1282 CA LYS A 85 8.919 5.600 -3.167 1.00 0.00 C ATOM 1283 C LYS A 85 8.369 6.856 -2.557 1.00 0.00 C ATOM 1284 O LYS A 85 7.981 7.791 -3.267 1.00 0.00 O ATOM 1285 CB LYS A 85 10.279 5.889 -3.804 1.00 0.00 C ATOM 1286 CG LYS A 85 11.158 6.519 -2.714 1.00 0.00 C ATOM 1287 CD LYS A 85 12.565 6.812 -3.215 1.00 0.00 C ATOM 1288 CE LYS A 85 13.366 7.407 -2.048 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.631 8.580 -1.477 1.00 0.00 N ATOM 0 H LYS A 85 7.838 5.490 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 85 9.071 4.863 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.731 4.972 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.172 6.565 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.697 7.443 -2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.211 5.847 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.039 5.900 -3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.535 7.510 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.520 6.652 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.353 7.716 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.289 9.167 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.226 9.146 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.867 8.243 -0.858 1.00 0.00 H new ATOM 1303 N SER A 86 8.507 6.941 -1.259 1.00 0.00 N ATOM 1304 CA SER A 86 8.206 8.136 -0.530 1.00 0.00 C ATOM 1305 C SER A 86 9.497 8.659 0.072 1.00 0.00 C ATOM 1306 O SER A 86 10.584 8.082 -0.157 1.00 0.00 O ATOM 1307 CB SER A 86 7.202 7.818 0.579 1.00 0.00 C ATOM 1308 OG SER A 86 7.854 7.053 1.599 1.00 0.00 O ATOM 0 H SER A 86 8.836 6.171 -0.676 1.00 0.00 H new ATOM 0 HA SER A 86 7.771 8.887 -1.189 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.802 8.741 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.358 7.260 0.173 1.00 0.00 H new ATOM 0 HG SER A 86 7.548 6.123 1.556 1.00 0.00 H new ATOM 1314 N GLU A 87 9.392 9.653 0.924 1.00 0.00 N ATOM 1315 CA GLU A 87 10.546 10.096 1.662 1.00 0.00 C ATOM 1316 C GLU A 87 10.937 8.978 2.614 1.00 0.00 C ATOM 1317 O GLU A 87 12.112 8.775 2.921 1.00 0.00 O ATOM 1318 CB GLU A 87 10.234 11.377 2.455 1.00 0.00 C ATOM 1319 CG GLU A 87 11.539 11.929 3.039 1.00 0.00 C ATOM 1320 CD GLU A 87 11.312 13.239 3.763 1.00 0.00 C ATOM 1321 OE1 GLU A 87 10.267 13.822 3.595 1.00 0.00 O ATOM 1322 OE2 GLU A 87 12.199 13.651 4.471 1.00 0.00 O ATOM 0 H GLU A 87 8.530 10.163 1.120 1.00 0.00 H new ATOM 0 HA GLU A 87 11.361 10.326 0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.768 12.118 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.524 11.162 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.967 11.201 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.264 12.075 2.238 1.00 0.00 H new ATOM 1329 N PHE A 88 9.916 8.293 3.110 1.00 0.00 N ATOM 1330 CA PHE A 88 10.080 7.222 4.077 1.00 0.00 C ATOM 1331 C PHE A 88 10.875 6.075 3.476 1.00 0.00 C ATOM 1332 O PHE A 88 11.725 5.485 4.139 1.00 0.00 O ATOM 1333 CB PHE A 88 8.702 6.689 4.507 1.00 0.00 C ATOM 1334 CG PHE A 88 7.809 7.823 5.005 1.00 0.00 C ATOM 1335 CD1 PHE A 88 8.353 9.075 5.351 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.430 7.615 5.108 1.00 0.00 C ATOM 1337 CE1 PHE A 88 7.514 10.102 5.793 1.00 0.00 C ATOM 1338 CE2 PHE A 88 5.595 8.647 5.549 1.00 0.00 C ATOM 1339 CZ PHE A 88 6.136 9.890 5.892 1.00 0.00 C ATOM 0 H PHE A 88 8.945 8.468 2.850 1.00 0.00 H new ATOM 0 HA PHE A 88 10.614 7.623 4.938 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.224 6.187 3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.825 5.945 5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.417 9.242 5.275 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.009 6.656 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.932 11.062 6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.530 8.483 5.625 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.490 10.685 6.233 1.00 0.00 H new ATOM 1349 N GLY A 89 10.544 5.710 2.250 1.00 0.00 N ATOM 1350 CA GLY A 89 11.187 4.572 1.604 1.00 0.00 C ATOM 1351 C GLY A 89 10.313 4.015 0.503 1.00 0.00 C ATOM 1352 O GLY A 89 9.613 4.769 -0.175 1.00 0.00 O ATOM 0 H GLY A 89 9.839 6.180 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.149 4.878 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.389 3.796 2.342 1.00 0.00 H new ATOM 1356 N TYR A 90 10.329 2.697 0.342 1.00 0.00 N ATOM 1357 CA TYR A 90 9.528 2.045 -0.677 1.00 0.00 C ATOM 1358 C TYR A 90 8.283 1.406 -0.097 1.00 0.00 C ATOM 1359 O TYR A 90 8.351 0.659 0.878 1.00 0.00 O ATOM 1360 CB TYR A 90 10.342 0.991 -1.435 1.00 0.00 C ATOM 1361 CG TYR A 90 11.139 1.649 -2.530 1.00 0.00 C ATOM 1362 CD1 TYR A 90 10.518 1.927 -3.753 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.486 1.980 -2.336 1.00 0.00 C ATOM 1364 CE1 TYR A 90 11.237 2.530 -4.780 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.207 2.586 -3.372 1.00 0.00 C ATOM 1366 CZ TYR A 90 12.578 2.859 -4.595 1.00 0.00 C ATOM 1367 OH TYR A 90 13.283 3.452 -5.619 1.00 0.00 O ATOM 0 H TYR A 90 10.891 2.061 0.908 1.00 0.00 H new ATOM 0 HA TYR A 90 9.219 2.824 -1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 90 11.011 0.472 -0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.676 0.240 -1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.479 1.673 -3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.966 1.769 -1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 90 10.755 2.743 -5.722 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.246 2.843 -3.229 1.00 0.00 H new ATOM 0 HH TYR A 90 13.285 2.860 -6.400 1.00 0.00 H new ATOM 1377 N HIS A 91 7.168 1.631 -0.764 1.00 0.00 N ATOM 1378 CA HIS A 91 5.901 1.032 -0.400 1.00 0.00 C ATOM 1379 C HIS A 91 5.398 0.163 -1.526 1.00 0.00 C ATOM 1380 O HIS A 91 5.489 0.548 -2.699 1.00 0.00 O ATOM 1381 CB HIS A 91 4.828 2.112 -0.150 1.00 0.00 C ATOM 1382 CG HIS A 91 5.304 3.178 0.793 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.788 3.310 2.071 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.220 4.186 0.653 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.382 4.372 2.641 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.265 4.939 1.819 1.00 0.00 N ATOM 0 H HIS A 91 7.117 2.240 -1.581 1.00 0.00 H new ATOM 0 HA HIS A 91 6.068 0.449 0.506 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.547 2.568 -1.099 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.932 1.644 0.257 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.085 2.710 2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.816 4.368 -0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.170 4.722 3.640 1.00 0.00 H new ATOM 1394 N VAL A 92 4.662 -0.863 -1.157 1.00 0.00 N ATOM 1395 CA VAL A 92 3.845 -1.596 -2.091 1.00 0.00 C ATOM 1396 C VAL A 92 2.410 -1.419 -1.626 1.00 0.00 C ATOM 1397 O VAL A 92 2.129 -1.543 -0.432 1.00 0.00 O ATOM 1398 CB VAL A 92 4.239 -3.081 -2.114 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.248 -3.876 -2.976 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.650 -3.220 -2.694 1.00 0.00 C ATOM 0 H VAL A 92 4.615 -1.210 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 92 3.977 -1.226 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 92 4.218 -3.474 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.536 -4.927 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.245 -3.779 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.258 -3.487 -3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.934 -4.272 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.667 -2.822 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.354 -2.665 -2.074 1.00 0.00 H new ATOM 1410 N ILE A 93 1.559 -0.958 -2.507 1.00 0.00 N ATOM 1411 CA ILE A 93 0.214 -0.568 -2.127 1.00 0.00 C ATOM 1412 C ILE A 93 -0.798 -1.334 -2.945 1.00 0.00 C ATOM 1413 O ILE A 93 -0.697 -1.376 -4.167 1.00 0.00 O ATOM 1414 CB ILE A 93 0.053 0.943 -2.365 1.00 0.00 C ATOM 1415 CG1 ILE A 93 1.046 1.703 -1.474 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.377 1.386 -2.015 1.00 0.00 C ATOM 1417 CD1 ILE A 93 1.132 3.154 -1.922 1.00 0.00 C ATOM 0 H ILE A 93 1.770 -0.841 -3.498 1.00 0.00 H new ATOM 0 HA ILE A 93 0.047 -0.795 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 93 0.248 1.160 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.727 1.652 -0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.030 1.237 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.478 2.457 -2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.088 0.848 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.580 1.167 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.838 3.690 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.471 3.196 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.149 3.618 -1.843 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.790 -1.898 -2.293 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.871 -2.553 -3.010 1.00 0.00 C ATOM 1431 C LYS A 94 -4.189 -1.935 -2.600 1.00 0.00 C ATOM 1432 O LYS A 94 -4.360 -1.544 -1.439 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.919 -4.056 -2.727 1.00 0.00 C ATOM 1434 CG LYS A 94 -4.007 -4.682 -3.618 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.146 -6.183 -3.346 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.216 -6.762 -4.285 1.00 0.00 C ATOM 1437 NZ LYS A 94 -6.394 -5.844 -4.358 1.00 0.00 N ATOM 0 H LYS A 94 -1.875 -1.919 -1.277 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.692 -2.415 -4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.951 -4.512 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.139 -4.237 -1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.960 -4.186 -3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.760 -4.521 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.192 -6.685 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.425 -6.353 -2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.796 -6.906 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.532 -7.742 -3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.264 -6.404 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.450 -5.282 -3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.288 -5.207 -5.174 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.167 -1.975 -3.493 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.496 -1.549 -3.129 1.00 0.00 C ATOM 1453 C ARG A 95 -7.162 -2.641 -2.317 1.00 0.00 C ATOM 1454 O ARG A 95 -7.065 -3.839 -2.661 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.363 -1.239 -4.350 1.00 0.00 C ATOM 1456 CG ARG A 95 -8.730 -0.748 -3.843 1.00 0.00 C ATOM 1457 CD ARG A 95 -9.695 -0.484 -4.994 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.977 -0.045 -4.446 1.00 0.00 N ATOM 1459 CZ ARG A 95 -12.033 0.229 -5.214 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.946 0.130 -6.514 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -13.147 0.609 -4.661 1.00 0.00 N ATOM 0 H ARG A 95 -5.062 -2.293 -4.456 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.400 -0.632 -2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.890 -0.478 -4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.482 -2.128 -4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.158 -1.493 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.597 0.165 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.289 0.278 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.829 -1.388 -5.588 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.068 0.056 -3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.068 -0.158 -6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.756 0.341 -7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.209 0.696 -3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.959 0.820 -5.242 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.846 -2.225 -1.272 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.586 -3.114 -0.403 1.00 0.00 C ATOM 1477 C LEU A 96 -10.045 -2.705 -0.437 1.00 0.00 C ATOM 1478 O LEU A 96 -10.355 -1.519 -0.381 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.022 -3.014 1.025 1.00 0.00 C ATOM 1480 CG LEU A 96 -8.882 -3.821 2.007 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -8.806 -5.314 1.684 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -8.385 -3.580 3.433 1.00 0.00 C ATOM 0 H LEU A 96 -7.904 -1.244 -0.999 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.494 -4.148 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.997 -3.384 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.989 -1.970 1.336 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.919 -3.496 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.422 -5.871 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.170 -5.486 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.772 -5.651 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.995 -4.152 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.345 -3.897 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.461 -2.519 3.670 1.00 0.00 H new ATOM 1494 N GLY A 97 -10.922 -3.662 -0.649 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.334 -3.372 -0.815 1.00 0.00 C ATOM 1496 C GLY A 97 -13.077 -3.363 0.509 1.00 0.00 C ATOM 1497 O GLY A 97 -12.446 -3.489 1.530 1.00 0.00 O ATOM 1498 OXT GLY A 97 -14.272 -3.216 0.480 1.00 0.00 O ATOM 0 H GLY A 97 -10.683 -4.652 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.450 -2.403 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.781 -4.115 -1.475 1.00 0.00 H new