USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 532 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 13 TYR OH : rot 30:sc= -6.22! USER MOD Set 1.2: A 34 THR OG1 : rot -57:sc= 0.738 USER MOD Single : A 2 SER OG : rot -14:sc= -5.27! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0263) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -3.81! C(o=-3.8!,f=-3.5!) USER MOD Single : A 24 SER OG : rot 100:sc= -1.36 USER MOD Single : A 25 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.00268) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -2.84! C(o=-2.8!,f=-7.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.959 X(o=-0.96,f=-0.88) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.32) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.26 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 9.638 7.925 6.128 1.00 0.00 N ATOM 41 CA SER A 2 10.165 9.112 6.844 1.00 0.00 C ATOM 42 C SER A 2 11.303 8.623 7.774 1.00 0.00 C ATOM 43 O SER A 2 12.445 8.668 7.362 1.00 0.00 O ATOM 44 CB SER A 2 9.028 9.834 7.573 1.00 0.00 C ATOM 45 OG SER A 2 7.994 8.909 7.882 1.00 0.00 O ATOM 0 HA SER A 2 10.582 9.853 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.403 10.294 8.487 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.636 10.638 6.950 1.00 0.00 H new ATOM 0 HG SER A 2 8.131 8.083 7.373 1.00 0.00 H new ATOM 51 N PRO A 3 11.013 8.107 8.962 1.00 0.00 N ATOM 52 CA PRO A 3 12.088 7.568 9.822 1.00 0.00 C ATOM 53 C PRO A 3 12.641 6.275 9.196 1.00 0.00 C ATOM 54 O PRO A 3 13.785 6.200 8.791 1.00 0.00 O ATOM 55 CB PRO A 3 11.404 7.243 11.154 1.00 0.00 C ATOM 56 CG PRO A 3 9.879 7.375 10.937 1.00 0.00 C ATOM 57 CD PRO A 3 9.660 8.030 9.565 1.00 0.00 C ATOM 0 HA PRO A 3 12.916 8.267 9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 3 11.659 6.235 11.480 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.741 7.925 11.935 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.401 6.396 10.975 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.431 7.979 11.726 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.985 7.438 8.947 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.215 9.020 9.666 1.00 0.00 H new ATOM 65 N GLU A 4 11.817 5.259 9.120 1.00 0.00 N ATOM 66 CA GLU A 4 12.231 3.951 8.534 1.00 0.00 C ATOM 67 C GLU A 4 11.043 3.007 8.679 1.00 0.00 C ATOM 68 O GLU A 4 11.110 1.983 9.330 1.00 0.00 O ATOM 69 CB GLU A 4 13.441 3.396 9.292 1.00 0.00 C ATOM 70 CG GLU A 4 13.135 3.367 10.789 1.00 0.00 C ATOM 71 CD GLU A 4 14.309 2.732 11.536 1.00 0.00 C ATOM 72 OE1 GLU A 4 15.423 2.844 11.052 1.00 0.00 O ATOM 73 OE2 GLU A 4 14.073 2.143 12.579 1.00 0.00 O ATOM 0 H GLU A 4 10.852 5.285 9.448 1.00 0.00 H new ATOM 0 HA GLU A 4 12.515 4.063 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.676 2.392 8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.318 4.014 9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.961 4.379 11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.223 2.800 10.974 1.00 0.00 H new ATOM 80 N GLU A 5 9.944 3.376 8.086 1.00 0.00 N ATOM 81 CA GLU A 5 8.712 2.553 8.178 1.00 0.00 C ATOM 82 C GLU A 5 8.199 2.243 6.777 1.00 0.00 C ATOM 83 O GLU A 5 7.205 1.569 6.603 1.00 0.00 O ATOM 84 CB GLU A 5 7.660 3.341 8.929 1.00 0.00 C ATOM 85 CG GLU A 5 7.059 2.482 10.043 1.00 0.00 C ATOM 86 CD GLU A 5 7.804 2.747 11.355 1.00 0.00 C ATOM 87 OE1 GLU A 5 8.638 3.635 11.369 1.00 0.00 O ATOM 88 OE2 GLU A 5 7.525 2.055 12.321 1.00 0.00 O ATOM 0 H GLU A 5 9.848 4.228 7.533 1.00 0.00 H new ATOM 0 HA GLU A 5 8.928 1.620 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.103 4.243 9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.876 3.662 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.000 2.711 10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.129 1.427 9.780 1.00 0.00 H new ATOM 95 N LEU A 6 8.877 2.723 5.774 1.00 0.00 N ATOM 96 CA LEU A 6 8.436 2.448 4.387 1.00 0.00 C ATOM 97 C LEU A 6 8.872 1.034 4.033 1.00 0.00 C ATOM 98 O LEU A 6 8.172 0.303 3.361 1.00 0.00 O ATOM 99 CB LEU A 6 9.055 3.484 3.439 1.00 0.00 C ATOM 100 CG LEU A 6 9.538 2.843 2.156 1.00 0.00 C ATOM 101 CD1 LEU A 6 8.399 2.076 1.482 1.00 0.00 C ATOM 102 CD2 LEU A 6 10.070 3.927 1.215 1.00 0.00 C ATOM 0 H LEU A 6 9.718 3.294 5.858 1.00 0.00 H new ATOM 0 HA LEU A 6 7.353 2.523 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.318 4.253 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.889 3.980 3.935 1.00 0.00 H new ATOM 0 HG LEU A 6 10.338 2.139 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.762 1.621 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.037 1.297 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.585 2.763 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.418 3.467 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.274 4.636 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.897 4.451 1.694 1.00 0.00 H new ATOM 114 N LYS A 7 10.023 0.637 4.493 1.00 0.00 N ATOM 115 CA LYS A 7 10.487 -0.742 4.183 1.00 0.00 C ATOM 116 C LYS A 7 9.829 -1.730 5.148 1.00 0.00 C ATOM 117 O LYS A 7 9.913 -2.930 4.975 1.00 0.00 O ATOM 118 CB LYS A 7 12.005 -0.829 4.306 1.00 0.00 C ATOM 119 CG LYS A 7 12.545 -1.719 3.184 1.00 0.00 C ATOM 120 CD LYS A 7 14.069 -1.791 3.277 1.00 0.00 C ATOM 121 CE LYS A 7 14.491 -3.234 3.554 1.00 0.00 C ATOM 122 NZ LYS A 7 14.783 -3.395 5.006 1.00 0.00 N ATOM 0 H LYS A 7 10.656 1.199 5.063 1.00 0.00 H new ATOM 0 HA LYS A 7 10.205 -0.991 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.446 0.166 4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.281 -1.239 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.118 -2.719 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.248 -1.320 2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.518 -1.441 2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.428 -1.136 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.699 -3.920 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.373 -3.486 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.070 -4.376 5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.552 -2.750 5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.931 -3.171 5.558 1.00 0.00 H new ATOM 136 N GLY A 8 9.174 -1.235 6.162 1.00 0.00 N ATOM 137 CA GLY A 8 8.509 -2.146 7.138 1.00 0.00 C ATOM 138 C GLY A 8 7.160 -2.601 6.580 1.00 0.00 C ATOM 139 O GLY A 8 6.853 -3.775 6.556 1.00 0.00 O ATOM 0 H GLY A 8 9.070 -0.239 6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.143 -3.011 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.366 -1.634 8.089 1.00 0.00 H new ATOM 143 N ILE A 9 6.350 -1.683 6.129 1.00 0.00 N ATOM 144 CA ILE A 9 5.027 -2.064 5.573 1.00 0.00 C ATOM 145 C ILE A 9 5.214 -3.216 4.604 1.00 0.00 C ATOM 146 O ILE A 9 4.668 -4.278 4.772 1.00 0.00 O ATOM 147 CB ILE A 9 4.420 -0.861 4.853 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.241 -1.299 3.979 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.477 -0.129 4.018 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.746 -1.912 2.687 1.00 0.00 C ATOM 0 H ILE A 9 6.551 -0.683 6.123 1.00 0.00 H new ATOM 0 HA ILE A 9 4.355 -2.374 6.374 1.00 0.00 H new ATOM 0 HB ILE A 9 4.050 -0.165 5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.628 -2.022 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.604 -0.442 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.018 0.723 3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.277 0.222 4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.888 -0.810 3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.898 -2.219 2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.339 -1.177 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.364 -2.781 2.914 1.00 0.00 H new ATOM 162 N PHE A 10 5.986 -3.015 3.589 1.00 0.00 N ATOM 163 CA PHE A 10 6.209 -4.104 2.610 1.00 0.00 C ATOM 164 C PHE A 10 6.340 -5.489 3.268 1.00 0.00 C ATOM 165 O PHE A 10 5.387 -6.228 3.369 1.00 0.00 O ATOM 166 CB PHE A 10 7.447 -3.799 1.763 1.00 0.00 C ATOM 167 CG PHE A 10 7.069 -3.610 0.325 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.818 -3.116 -0.050 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.976 -4.039 -0.646 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.476 -3.064 -1.407 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.643 -3.967 -1.992 1.00 0.00 C ATOM 172 CZ PHE A 10 6.397 -3.490 -2.374 1.00 0.00 C ATOM 0 H PHE A 10 6.476 -2.142 3.391 1.00 0.00 H new ATOM 0 HA PHE A 10 5.325 -4.145 1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.938 -2.900 2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.165 -4.614 1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.120 -2.777 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.939 -4.428 -0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.506 -2.697 -1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.354 -4.282 -2.742 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.136 -3.447 -3.421 1.00 0.00 H new ATOM 182 N GLU A 11 7.504 -5.864 3.684 1.00 0.00 N ATOM 183 CA GLU A 11 7.690 -7.219 4.302 1.00 0.00 C ATOM 184 C GLU A 11 6.522 -7.561 5.241 1.00 0.00 C ATOM 185 O GLU A 11 6.271 -8.709 5.542 1.00 0.00 O ATOM 186 CB GLU A 11 8.997 -7.237 5.096 1.00 0.00 C ATOM 187 CG GLU A 11 8.982 -6.116 6.137 1.00 0.00 C ATOM 188 CD GLU A 11 9.935 -6.472 7.279 1.00 0.00 C ATOM 189 OE1 GLU A 11 11.129 -6.524 7.032 1.00 0.00 O ATOM 190 OE2 GLU A 11 9.456 -6.685 8.380 1.00 0.00 O ATOM 0 H GLU A 11 8.349 -5.296 3.628 1.00 0.00 H new ATOM 0 HA GLU A 11 7.722 -7.961 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.122 -8.202 5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.845 -7.110 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.282 -5.174 5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.972 -5.975 6.522 1.00 0.00 H new ATOM 197 N LYS A 12 5.820 -6.573 5.708 1.00 0.00 N ATOM 198 CA LYS A 12 4.668 -6.822 6.629 1.00 0.00 C ATOM 199 C LYS A 12 3.403 -7.141 5.827 1.00 0.00 C ATOM 200 O LYS A 12 3.000 -8.281 5.698 1.00 0.00 O ATOM 201 CB LYS A 12 4.424 -5.580 7.489 1.00 0.00 C ATOM 202 CG LYS A 12 3.205 -5.806 8.381 1.00 0.00 C ATOM 203 CD LYS A 12 3.666 -6.057 9.817 1.00 0.00 C ATOM 204 CE LYS A 12 2.511 -6.647 10.619 1.00 0.00 C ATOM 205 NZ LYS A 12 3.040 -7.625 11.613 1.00 0.00 N ATOM 0 H LYS A 12 5.992 -5.591 5.492 1.00 0.00 H new ATOM 0 HA LYS A 12 4.906 -7.673 7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.301 -5.371 8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.265 -4.710 6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.548 -4.937 8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.628 -6.657 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.516 -6.740 9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.002 -5.125 10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.966 -5.853 11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.805 -7.139 9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.251 -8.026 12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.541 -8.389 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.698 -7.143 12.258 1.00 0.00 H new ATOM 219 N TYR A 13 2.772 -6.127 5.294 1.00 0.00 N ATOM 220 CA TYR A 13 1.528 -6.331 4.505 1.00 0.00 C ATOM 221 C TYR A 13 1.901 -6.860 3.120 1.00 0.00 C ATOM 222 O TYR A 13 1.218 -7.698 2.566 1.00 0.00 O ATOM 223 CB TYR A 13 0.786 -4.995 4.357 1.00 0.00 C ATOM 224 CG TYR A 13 0.672 -4.300 5.700 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.745 -3.547 6.195 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.511 -4.400 6.446 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.640 -2.900 7.431 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.614 -3.750 7.684 1.00 0.00 C ATOM 229 CZ TYR A 13 0.463 -3.001 8.174 1.00 0.00 C ATOM 230 OH TYR A 13 0.367 -2.363 9.391 1.00 0.00 O ATOM 0 H TYR A 13 3.072 -5.156 5.375 1.00 0.00 H new ATOM 0 HA TYR A 13 0.882 -7.046 5.015 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.316 -4.354 3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.208 -5.168 3.945 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.656 -3.466 5.621 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.342 -4.977 6.067 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.470 -2.322 7.810 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.524 -3.827 8.260 1.00 0.00 H new ATOM 0 HH TYR A 13 0.925 -1.557 9.383 1.00 0.00 H new ATOM 240 N ALA A 14 2.990 -6.401 2.556 1.00 0.00 N ATOM 241 CA ALA A 14 3.389 -6.924 1.222 1.00 0.00 C ATOM 242 C ALA A 14 3.718 -8.412 1.375 1.00 0.00 C ATOM 243 O ALA A 14 3.843 -9.132 0.407 1.00 0.00 O ATOM 244 CB ALA A 14 4.637 -6.177 0.710 1.00 0.00 C ATOM 0 H ALA A 14 3.610 -5.697 2.957 1.00 0.00 H new ATOM 0 HA ALA A 14 2.578 -6.779 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.920 -6.568 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.415 -5.113 0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.460 -6.321 1.410 1.00 0.00 H new ATOM 250 N ASP A 15 3.868 -8.872 2.597 1.00 0.00 N ATOM 251 CA ASP A 15 4.208 -10.306 2.833 1.00 0.00 C ATOM 252 C ASP A 15 2.916 -11.087 3.060 1.00 0.00 C ATOM 253 O ASP A 15 2.871 -12.296 2.952 1.00 0.00 O ATOM 254 CB ASP A 15 5.084 -10.436 4.084 1.00 0.00 C ATOM 255 CG ASP A 15 5.274 -11.917 4.416 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.015 -12.572 3.704 1.00 0.00 O ATOM 257 OD2 ASP A 15 4.675 -12.369 5.379 1.00 0.00 O ATOM 0 H ASP A 15 3.768 -8.310 3.442 1.00 0.00 H new ATOM 0 HA ASP A 15 4.746 -10.696 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.051 -9.962 3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.618 -9.920 4.924 1.00 0.00 H new ATOM 262 N LYS A 16 1.870 -10.388 3.392 1.00 0.00 N ATOM 263 CA LYS A 16 0.569 -11.047 3.651 1.00 0.00 C ATOM 264 C LYS A 16 0.086 -11.752 2.382 1.00 0.00 C ATOM 265 O LYS A 16 -0.600 -12.754 2.441 1.00 0.00 O ATOM 266 CB LYS A 16 -0.430 -9.970 4.063 1.00 0.00 C ATOM 267 CG LYS A 16 -0.167 -9.556 5.515 1.00 0.00 C ATOM 268 CD LYS A 16 -0.139 -10.795 6.413 1.00 0.00 C ATOM 269 CE LYS A 16 -0.234 -10.365 7.879 1.00 0.00 C ATOM 270 NZ LYS A 16 -1.657 -10.087 8.223 1.00 0.00 N ATOM 0 H LYS A 16 1.864 -9.373 3.496 1.00 0.00 H new ATOM 0 HA LYS A 16 0.668 -11.790 4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.340 -9.105 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.448 -10.345 3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.782 -9.024 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.943 -8.869 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.968 -11.457 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.780 -11.357 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.161 -11.149 8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.373 -9.476 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.702 -9.310 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.176 -9.817 7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.088 -10.940 8.633 1.00 0.00 H new ATOM 284 N GLU A 17 0.442 -11.242 1.235 1.00 0.00 N ATOM 285 CA GLU A 17 0.005 -11.887 -0.034 1.00 0.00 C ATOM 286 C GLU A 17 0.894 -13.099 -0.317 1.00 0.00 C ATOM 287 O GLU A 17 0.560 -13.957 -1.108 1.00 0.00 O ATOM 288 CB GLU A 17 0.127 -10.889 -1.177 1.00 0.00 C ATOM 289 CG GLU A 17 -1.256 -10.625 -1.776 1.00 0.00 C ATOM 290 CD GLU A 17 -1.113 -10.274 -3.258 1.00 0.00 C ATOM 291 OE1 GLU A 17 -0.028 -9.875 -3.651 1.00 0.00 O ATOM 292 OE2 GLU A 17 -2.090 -10.412 -3.975 1.00 0.00 O ATOM 0 H GLU A 17 1.016 -10.407 1.122 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.032 -12.209 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.562 -9.957 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.798 -11.278 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.888 -11.505 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.745 -9.809 -1.244 1.00 0.00 H new ATOM 299 N GLY A 18 2.025 -13.173 0.327 1.00 0.00 N ATOM 300 CA GLY A 18 2.939 -14.326 0.101 1.00 0.00 C ATOM 301 C GLY A 18 4.282 -13.813 -0.417 1.00 0.00 C ATOM 302 O GLY A 18 4.763 -14.240 -1.447 1.00 0.00 O ATOM 0 H GLY A 18 2.356 -12.483 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.082 -14.879 1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.499 -15.018 -0.618 1.00 0.00 H new ATOM 306 N ASP A 19 4.894 -12.901 0.292 1.00 0.00 N ATOM 307 CA ASP A 19 6.207 -12.367 -0.168 1.00 0.00 C ATOM 308 C ASP A 19 6.682 -11.234 0.749 1.00 0.00 C ATOM 309 O ASP A 19 7.474 -11.440 1.647 1.00 0.00 O ATOM 310 CB ASP A 19 6.077 -11.858 -1.608 1.00 0.00 C ATOM 311 CG ASP A 19 7.327 -12.247 -2.401 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.414 -12.076 -1.874 1.00 0.00 O ATOM 313 OD2 ASP A 19 7.175 -12.708 -3.519 1.00 0.00 O ATOM 0 H ASP A 19 4.543 -12.506 1.164 1.00 0.00 H new ATOM 0 HA ASP A 19 6.945 -13.169 -0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.189 -12.283 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.953 -10.775 -1.613 1.00 0.00 H new ATOM 318 N GLY A 20 6.235 -10.038 0.508 1.00 0.00 N ATOM 319 CA GLY A 20 6.688 -8.885 1.336 1.00 0.00 C ATOM 320 C GLY A 20 7.319 -7.860 0.402 1.00 0.00 C ATOM 321 O GLY A 20 7.559 -6.728 0.772 1.00 0.00 O ATOM 0 H GLY A 20 5.571 -9.805 -0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.847 -8.446 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.408 -9.213 2.086 1.00 0.00 H new ATOM 325 N ASN A 21 7.603 -8.257 -0.811 1.00 0.00 N ATOM 326 CA ASN A 21 8.230 -7.328 -1.766 1.00 0.00 C ATOM 327 C ASN A 21 7.184 -6.725 -2.736 1.00 0.00 C ATOM 328 O ASN A 21 7.519 -5.944 -3.601 1.00 0.00 O ATOM 329 CB ASN A 21 9.289 -8.100 -2.549 1.00 0.00 C ATOM 330 CG ASN A 21 10.595 -8.125 -1.756 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.383 -7.204 -1.830 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.858 -9.150 -0.994 1.00 0.00 N ATOM 0 H ASN A 21 7.422 -9.193 -1.173 1.00 0.00 H new ATOM 0 HA ASN A 21 8.682 -6.499 -1.222 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.947 -9.118 -2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.450 -7.633 -3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.726 -9.179 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.195 -9.923 -0.932 1.00 0.00 H new ATOM 339 N GLN A 22 5.925 -7.074 -2.606 1.00 0.00 N ATOM 340 CA GLN A 22 4.881 -6.494 -3.520 1.00 0.00 C ATOM 341 C GLN A 22 3.585 -6.295 -2.729 1.00 0.00 C ATOM 342 O GLN A 22 3.381 -6.894 -1.693 1.00 0.00 O ATOM 343 CB GLN A 22 4.600 -7.407 -4.726 1.00 0.00 C ATOM 344 CG GLN A 22 5.804 -8.297 -5.062 1.00 0.00 C ATOM 345 CD GLN A 22 5.339 -9.748 -5.171 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.122 -10.250 -6.257 1.00 0.00 O ATOM 347 NE2 GLN A 22 5.178 -10.446 -4.082 1.00 0.00 N ATOM 0 H GLN A 22 5.574 -7.732 -1.911 1.00 0.00 H new ATOM 0 HA GLN A 22 5.256 -5.544 -3.901 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.734 -8.033 -4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.347 -6.796 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.258 -7.976 -6.000 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.567 -8.204 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.361 -10.022 -3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.869 -11.416 -4.139 1.00 0.00 H new ATOM 356 N LEU A 23 2.722 -5.426 -3.186 1.00 0.00 N ATOM 357 CA LEU A 23 1.468 -5.158 -2.427 1.00 0.00 C ATOM 358 C LEU A 23 0.209 -5.397 -3.268 1.00 0.00 C ATOM 359 O LEU A 23 0.258 -5.833 -4.397 1.00 0.00 O ATOM 360 CB LEU A 23 1.496 -3.698 -1.996 1.00 0.00 C ATOM 361 CG LEU A 23 2.006 -3.625 -0.569 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.195 -2.166 -0.172 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.998 -4.286 0.371 1.00 0.00 C ATOM 0 H LEU A 23 2.832 -4.893 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 23 1.426 -5.841 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.141 -3.120 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.498 -3.264 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 23 2.960 -4.147 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.561 -2.112 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.917 -1.698 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.242 -1.643 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.366 -4.232 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.042 -3.768 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.866 -5.330 0.087 1.00 0.00 H new ATOM 375 N SER A 24 -0.925 -5.100 -2.694 1.00 0.00 N ATOM 376 CA SER A 24 -2.209 -5.256 -3.367 1.00 0.00 C ATOM 377 C SER A 24 -3.183 -4.303 -2.658 1.00 0.00 C ATOM 378 O SER A 24 -2.791 -3.555 -1.783 1.00 0.00 O ATOM 379 CB SER A 24 -2.669 -6.700 -3.225 1.00 0.00 C ATOM 380 OG SER A 24 -1.552 -7.515 -2.891 1.00 0.00 O ATOM 0 H SER A 24 -0.997 -4.741 -1.742 1.00 0.00 H new ATOM 0 HA SER A 24 -2.151 -5.024 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.434 -6.776 -2.453 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.120 -7.044 -4.156 1.00 0.00 H new ATOM 0 HG SER A 24 -1.553 -7.692 -1.927 1.00 0.00 H new ATOM 386 N LYS A 25 -4.426 -4.308 -3.015 1.00 0.00 N ATOM 387 CA LYS A 25 -5.394 -3.385 -2.348 1.00 0.00 C ATOM 388 C LYS A 25 -5.814 -3.948 -0.986 1.00 0.00 C ATOM 389 O LYS A 25 -6.241 -3.221 -0.111 1.00 0.00 O ATOM 390 CB LYS A 25 -6.632 -3.224 -3.228 1.00 0.00 C ATOM 391 CG LYS A 25 -7.141 -1.782 -3.141 1.00 0.00 C ATOM 392 CD LYS A 25 -7.936 -1.444 -4.403 1.00 0.00 C ATOM 393 CE LYS A 25 -9.183 -2.329 -4.473 1.00 0.00 C ATOM 394 NZ LYS A 25 -10.240 -1.774 -3.581 1.00 0.00 N ATOM 0 H LYS A 25 -4.823 -4.907 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.913 -2.418 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.391 -3.473 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.411 -3.915 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.770 -1.660 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.302 -1.095 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.223 -0.393 -4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.318 -1.598 -5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.548 -2.380 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.936 -3.347 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.748 -2.554 -3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.801 -1.169 -2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.909 -1.211 -4.144 1.00 0.00 H new ATOM 408 N GLU A 26 -5.711 -5.235 -0.800 1.00 0.00 N ATOM 409 CA GLU A 26 -6.120 -5.832 0.501 1.00 0.00 C ATOM 410 C GLU A 26 -5.010 -5.651 1.539 1.00 0.00 C ATOM 411 O GLU A 26 -5.100 -6.157 2.639 1.00 0.00 O ATOM 412 CB GLU A 26 -6.390 -7.325 0.304 1.00 0.00 C ATOM 413 CG GLU A 26 -7.833 -7.528 -0.161 1.00 0.00 C ATOM 414 CD GLU A 26 -8.764 -7.560 1.053 1.00 0.00 C ATOM 415 OE1 GLU A 26 -8.367 -7.061 2.093 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.860 -8.081 0.921 1.00 0.00 O ATOM 0 H GLU A 26 -5.362 -5.898 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.021 -5.332 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.699 -7.736 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.219 -7.862 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.125 -6.723 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.918 -8.459 -0.721 1.00 0.00 H new ATOM 423 N GLU A 27 -3.960 -4.947 1.208 1.00 0.00 N ATOM 424 CA GLU A 27 -2.860 -4.770 2.206 1.00 0.00 C ATOM 425 C GLU A 27 -2.428 -3.303 2.296 1.00 0.00 C ATOM 426 O GLU A 27 -1.517 -2.969 3.026 1.00 0.00 O ATOM 427 CB GLU A 27 -1.647 -5.633 1.826 1.00 0.00 C ATOM 428 CG GLU A 27 -1.923 -6.421 0.538 1.00 0.00 C ATOM 429 CD GLU A 27 -2.786 -7.643 0.859 1.00 0.00 C ATOM 430 OE1 GLU A 27 -2.565 -8.244 1.896 1.00 0.00 O ATOM 431 OE2 GLU A 27 -3.654 -7.955 0.059 1.00 0.00 O ATOM 0 H GLU A 27 -3.815 -4.493 0.306 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.241 -5.085 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.772 -4.998 1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.417 -6.323 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.430 -5.785 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.983 -6.736 0.084 1.00 0.00 H new ATOM 438 N LEU A 28 -3.082 -2.416 1.597 1.00 0.00 N ATOM 439 CA LEU A 28 -2.711 -0.990 1.693 1.00 0.00 C ATOM 440 C LEU A 28 -3.597 -0.402 2.788 1.00 0.00 C ATOM 441 O LEU A 28 -3.158 0.338 3.644 1.00 0.00 O ATOM 442 CB LEU A 28 -2.950 -0.346 0.321 1.00 0.00 C ATOM 443 CG LEU A 28 -3.611 1.024 0.460 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.630 2.007 1.103 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.009 1.539 -0.926 1.00 0.00 C ATOM 0 H LEU A 28 -3.856 -2.624 0.966 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.665 -0.820 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.001 -0.243 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.581 -0.997 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.498 0.935 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.105 2.983 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.344 1.642 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.742 2.096 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.481 2.517 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.120 1.625 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.710 0.842 -1.386 1.00 0.00 H new ATOM 457 N LYS A 29 -4.835 -0.799 2.780 1.00 0.00 N ATOM 458 CA LYS A 29 -5.792 -0.389 3.792 1.00 0.00 C ATOM 459 C LYS A 29 -5.269 -0.798 5.173 1.00 0.00 C ATOM 460 O LYS A 29 -5.223 -0.012 6.096 1.00 0.00 O ATOM 461 CB LYS A 29 -7.046 -1.159 3.484 1.00 0.00 C ATOM 462 CG LYS A 29 -8.021 -0.850 4.574 1.00 0.00 C ATOM 463 CD LYS A 29 -9.436 -1.116 4.085 1.00 0.00 C ATOM 464 CE LYS A 29 -10.294 -1.661 5.249 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.733 -1.620 4.863 1.00 0.00 N ATOM 0 H LYS A 29 -5.222 -1.421 2.070 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.961 0.688 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.448 -0.871 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.842 -2.229 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.808 -1.462 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.921 0.191 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.875 -0.198 3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.419 -1.834 3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.998 -2.683 5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.130 -1.065 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.313 -1.986 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.009 -0.639 4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.882 -2.206 4.017 1.00 0.00 H new ATOM 479 N LEU A 30 -4.873 -2.038 5.315 1.00 0.00 N ATOM 480 CA LEU A 30 -4.349 -2.515 6.629 1.00 0.00 C ATOM 481 C LEU A 30 -3.152 -1.654 7.042 1.00 0.00 C ATOM 482 O LEU A 30 -2.829 -1.535 8.207 1.00 0.00 O ATOM 483 CB LEU A 30 -3.918 -3.979 6.498 1.00 0.00 C ATOM 484 CG LEU A 30 -4.943 -4.750 5.655 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.757 -6.253 5.872 1.00 0.00 C ATOM 486 CD2 LEU A 30 -6.363 -4.355 6.076 1.00 0.00 C ATOM 0 H LEU A 30 -4.890 -2.741 4.576 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.126 -2.434 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.934 -4.038 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.832 -4.432 7.486 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.794 -4.508 4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.485 -6.800 5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.750 -6.542 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.903 -6.489 6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.087 -4.905 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.510 -4.594 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.503 -3.285 5.924 1.00 0.00 H new ATOM 498 N LEU A 31 -2.500 -1.054 6.089 1.00 0.00 N ATOM 499 CA LEU A 31 -1.323 -0.194 6.395 1.00 0.00 C ATOM 500 C LEU A 31 -1.756 0.991 7.254 1.00 0.00 C ATOM 501 O LEU A 31 -1.324 1.148 8.378 1.00 0.00 O ATOM 502 CB LEU A 31 -0.741 0.330 5.082 1.00 0.00 C ATOM 503 CG LEU A 31 0.598 1.028 5.343 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.345 2.394 5.984 1.00 0.00 C ATOM 505 CD2 LEU A 31 1.451 0.174 6.284 1.00 0.00 C ATOM 0 H LEU A 31 -2.734 -1.123 5.099 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.577 -0.777 6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.600 -0.494 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.439 1.027 4.618 1.00 0.00 H new ATOM 0 HG LEU A 31 1.125 1.160 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.297 2.891 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.258 3.005 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.185 2.261 6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.402 0.674 6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.925 0.038 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.634 -0.799 5.827 1.00 0.00 H new ATOM 517 N LEU A 32 -2.606 1.831 6.729 1.00 0.00 N ATOM 518 CA LEU A 32 -3.058 3.009 7.528 1.00 0.00 C ATOM 519 C LEU A 32 -3.704 2.516 8.802 1.00 0.00 C ATOM 520 O LEU A 32 -3.441 2.993 9.878 1.00 0.00 O ATOM 521 CB LEU A 32 -4.086 3.855 6.814 1.00 0.00 C ATOM 522 CG LEU A 32 -4.119 3.536 5.350 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.028 2.341 5.141 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.682 4.736 4.648 1.00 0.00 C ATOM 0 H LEU A 32 -3.004 1.756 5.793 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.173 3.619 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.070 3.683 7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.855 4.911 6.955 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.127 3.302 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.065 2.093 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.642 1.488 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.031 2.581 5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.723 4.544 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.687 4.937 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.046 5.600 4.838 1.00 0.00 H new ATOM 536 N GLN A 33 -4.584 1.575 8.669 1.00 0.00 N ATOM 537 CA GLN A 33 -5.299 1.054 9.875 1.00 0.00 C ATOM 538 C GLN A 33 -4.337 0.976 11.061 1.00 0.00 C ATOM 539 O GLN A 33 -4.691 1.312 12.174 1.00 0.00 O ATOM 540 CB GLN A 33 -5.883 -0.331 9.582 1.00 0.00 C ATOM 541 CG GLN A 33 -7.232 -0.174 8.878 1.00 0.00 C ATOM 542 CD GLN A 33 -7.804 -1.554 8.545 1.00 0.00 C ATOM 543 OE1 GLN A 33 -7.576 -2.074 7.471 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.546 -2.171 9.423 1.00 0.00 N ATOM 0 H GLN A 33 -4.845 1.139 7.784 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.113 1.735 10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.198 -0.902 8.956 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.007 -0.889 10.510 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.925 0.373 9.517 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.111 0.410 7.966 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.738 -1.735 10.325 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.934 -3.089 9.207 1.00 0.00 H new ATOM 553 N THR A 34 -3.120 0.575 10.839 1.00 0.00 N ATOM 554 CA THR A 34 -2.156 0.527 11.962 1.00 0.00 C ATOM 555 C THR A 34 -1.605 1.938 12.174 1.00 0.00 C ATOM 556 O THR A 34 -1.391 2.376 13.286 1.00 0.00 O ATOM 557 CB THR A 34 -1.019 -0.432 11.619 1.00 0.00 C ATOM 558 OG1 THR A 34 -0.075 0.230 10.791 1.00 0.00 O ATOM 559 CG2 THR A 34 -1.581 -1.651 10.888 1.00 0.00 C ATOM 0 H THR A 34 -2.755 0.280 9.933 1.00 0.00 H new ATOM 0 HA THR A 34 -2.645 0.175 12.871 1.00 0.00 H new ATOM 0 HB THR A 34 -0.528 -0.758 12.536 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.523 0.564 9.986 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.768 -2.335 10.643 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.302 -2.159 11.528 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.073 -1.330 9.970 1.00 0.00 H new ATOM 567 N GLU A 35 -1.376 2.656 11.103 1.00 0.00 N ATOM 568 CA GLU A 35 -0.843 4.041 11.228 1.00 0.00 C ATOM 569 C GLU A 35 -2.002 5.067 11.206 1.00 0.00 C ATOM 570 O GLU A 35 -2.262 5.720 12.196 1.00 0.00 O ATOM 571 CB GLU A 35 0.148 4.305 10.086 1.00 0.00 C ATOM 572 CG GLU A 35 1.395 3.441 10.295 1.00 0.00 C ATOM 573 CD GLU A 35 2.366 4.158 11.235 1.00 0.00 C ATOM 574 OE1 GLU A 35 3.016 5.088 10.786 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.443 3.766 12.388 1.00 0.00 O ATOM 0 H GLU A 35 -1.537 2.339 10.147 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.322 4.149 12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.314 4.073 9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.421 5.360 10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.114 2.475 10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.878 3.245 9.338 1.00 0.00 H new ATOM 582 N PHE A 36 -2.704 5.224 10.102 1.00 0.00 N ATOM 583 CA PHE A 36 -3.824 6.213 10.073 1.00 0.00 C ATOM 584 C PHE A 36 -4.980 5.685 9.204 1.00 0.00 C ATOM 585 O PHE A 36 -5.113 6.081 8.066 1.00 0.00 O ATOM 586 CB PHE A 36 -3.334 7.531 9.458 1.00 0.00 C ATOM 587 CG PHE A 36 -1.824 7.599 9.481 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.155 8.016 10.635 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.096 7.243 8.338 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.245 8.079 10.649 1.00 0.00 C ATOM 591 CE2 PHE A 36 0.301 7.305 8.350 1.00 0.00 C ATOM 592 CZ PHE A 36 0.972 7.723 9.505 1.00 0.00 C ATOM 0 H PHE A 36 -2.548 4.714 9.232 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.168 6.371 11.095 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.692 7.615 8.432 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.750 8.373 10.011 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.717 8.290 11.516 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.614 6.920 7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.763 8.401 11.540 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.862 7.031 7.469 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.051 7.771 9.515 1.00 0.00 H new ATOM 602 N PRO A 37 -5.796 4.828 9.769 1.00 0.00 N ATOM 603 CA PRO A 37 -6.960 4.259 9.055 1.00 0.00 C ATOM 604 C PRO A 37 -7.905 5.359 8.560 1.00 0.00 C ATOM 605 O PRO A 37 -8.838 5.095 7.827 1.00 0.00 O ATOM 606 CB PRO A 37 -7.687 3.408 10.106 1.00 0.00 C ATOM 607 CG PRO A 37 -6.878 3.492 11.424 1.00 0.00 C ATOM 608 CD PRO A 37 -5.634 4.350 11.151 1.00 0.00 C ATOM 0 HA PRO A 37 -6.645 3.691 8.180 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.703 3.773 10.257 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.767 2.374 9.772 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.482 3.934 12.216 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.590 2.496 11.761 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.568 5.183 11.851 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.720 3.766 11.262 1.00 0.00 H new ATOM 616 N SER A 38 -7.710 6.578 8.977 1.00 0.00 N ATOM 617 CA SER A 38 -8.643 7.655 8.545 1.00 0.00 C ATOM 618 C SER A 38 -8.314 8.148 7.137 1.00 0.00 C ATOM 619 O SER A 38 -9.098 8.849 6.527 1.00 0.00 O ATOM 620 CB SER A 38 -8.571 8.823 9.529 1.00 0.00 C ATOM 621 OG SER A 38 -7.209 9.109 9.820 1.00 0.00 O ATOM 0 H SER A 38 -6.952 6.874 9.593 1.00 0.00 H new ATOM 0 HA SER A 38 -9.652 7.243 8.531 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.056 9.702 9.104 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.106 8.575 10.446 1.00 0.00 H new ATOM 0 HG SER A 38 -7.159 9.859 10.449 1.00 0.00 H new ATOM 627 N LEU A 39 -7.186 7.792 6.600 1.00 0.00 N ATOM 628 CA LEU A 39 -6.866 8.255 5.223 1.00 0.00 C ATOM 629 C LEU A 39 -7.810 7.565 4.235 1.00 0.00 C ATOM 630 O LEU A 39 -7.862 7.898 3.068 1.00 0.00 O ATOM 631 CB LEU A 39 -5.413 7.918 4.884 1.00 0.00 C ATOM 632 CG LEU A 39 -4.468 8.858 5.639 1.00 0.00 C ATOM 633 CD1 LEU A 39 -3.062 8.745 5.047 1.00 0.00 C ATOM 634 CD2 LEU A 39 -4.960 10.301 5.507 1.00 0.00 C ATOM 0 H LEU A 39 -6.478 7.208 7.046 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.996 9.335 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.199 6.883 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.250 8.011 3.810 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.447 8.579 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.387 9.413 5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.708 7.718 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.087 9.023 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.285 10.966 6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.984 10.583 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.962 10.384 5.927 1.00 0.00 H new ATOM 646 N LEU A 40 -8.571 6.616 4.706 1.00 0.00 N ATOM 647 CA LEU A 40 -9.534 5.908 3.819 1.00 0.00 C ATOM 648 C LEU A 40 -10.953 6.287 4.238 1.00 0.00 C ATOM 649 O LEU A 40 -11.881 6.223 3.457 1.00 0.00 O ATOM 650 CB LEU A 40 -9.350 4.394 3.961 1.00 0.00 C ATOM 651 CG LEU A 40 -7.894 4.007 3.667 1.00 0.00 C ATOM 652 CD1 LEU A 40 -7.829 2.522 3.303 1.00 0.00 C ATOM 653 CD2 LEU A 40 -7.357 4.838 2.495 1.00 0.00 C ATOM 0 H LEU A 40 -8.566 6.299 5.675 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.360 6.193 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.621 4.080 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.018 3.873 3.275 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.287 4.200 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.796 2.244 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.204 1.927 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.441 2.337 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.323 4.557 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.963 4.651 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.402 5.897 2.749 1.00 0.00 H new ATOM 767 N GLU A 48 -7.900 4.575 -6.373 1.00 0.00 N ATOM 768 CA GLU A 48 -7.161 5.521 -7.232 1.00 0.00 C ATOM 769 C GLU A 48 -5.735 5.574 -6.744 1.00 0.00 C ATOM 770 O GLU A 48 -4.813 5.919 -7.456 1.00 0.00 O ATOM 771 CB GLU A 48 -7.784 6.887 -7.070 1.00 0.00 C ATOM 772 CG GLU A 48 -7.734 7.310 -5.601 1.00 0.00 C ATOM 773 CD GLU A 48 -7.031 8.662 -5.484 1.00 0.00 C ATOM 774 OE1 GLU A 48 -6.364 9.045 -6.430 1.00 0.00 O ATOM 775 OE2 GLU A 48 -7.173 9.293 -4.451 1.00 0.00 O ATOM 0 HA GLU A 48 -7.194 5.213 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.253 7.614 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.817 6.869 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.744 7.377 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.204 6.560 -5.013 1.00 0.00 H new ATOM 782 N LEU A 49 -5.566 5.203 -5.523 1.00 0.00 N ATOM 783 CA LEU A 49 -4.212 5.180 -4.926 1.00 0.00 C ATOM 784 C LEU A 49 -3.483 4.002 -5.543 1.00 0.00 C ATOM 785 O LEU A 49 -2.272 3.965 -5.643 1.00 0.00 O ATOM 786 CB LEU A 49 -4.341 4.977 -3.419 1.00 0.00 C ATOM 787 CG LEU A 49 -3.116 5.560 -2.712 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.530 6.117 -1.349 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.071 4.459 -2.517 1.00 0.00 C ATOM 0 H LEU A 49 -6.317 4.909 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.673 6.109 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.247 5.460 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.432 3.915 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.693 6.361 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.657 6.532 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.276 6.900 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.952 5.316 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.197 4.872 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.495 3.658 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.776 4.061 -3.488 1.00 0.00 H new ATOM 801 N PHE A 50 -4.246 3.040 -5.961 1.00 0.00 N ATOM 802 CA PHE A 50 -3.677 1.826 -6.593 1.00 0.00 C ATOM 803 C PHE A 50 -3.349 2.106 -8.062 1.00 0.00 C ATOM 804 O PHE A 50 -2.316 1.713 -8.562 1.00 0.00 O ATOM 805 CB PHE A 50 -4.718 0.716 -6.516 1.00 0.00 C ATOM 806 CG PHE A 50 -4.114 -0.563 -7.035 1.00 0.00 C ATOM 807 CD1 PHE A 50 -4.031 -0.783 -8.415 1.00 0.00 C ATOM 808 CD2 PHE A 50 -3.626 -1.525 -6.143 1.00 0.00 C ATOM 809 CE1 PHE A 50 -3.463 -1.964 -8.903 1.00 0.00 C ATOM 810 CE2 PHE A 50 -3.057 -2.705 -6.631 1.00 0.00 C ATOM 811 CZ PHE A 50 -2.976 -2.925 -8.012 1.00 0.00 C ATOM 0 H PHE A 50 -5.263 3.044 -5.890 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.763 1.533 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.051 0.584 -5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.596 0.983 -7.104 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.406 -0.040 -9.103 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.689 -1.356 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.401 -2.134 -9.968 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.680 -3.447 -5.943 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.537 -3.837 -8.389 1.00 0.00 H new ATOM 821 N GLU A 51 -4.232 2.770 -8.760 1.00 0.00 N ATOM 822 CA GLU A 51 -3.978 3.065 -10.200 1.00 0.00 C ATOM 823 C GLU A 51 -2.769 3.993 -10.335 1.00 0.00 C ATOM 824 O GLU A 51 -2.032 3.929 -11.299 1.00 0.00 O ATOM 825 CB GLU A 51 -5.210 3.740 -10.810 1.00 0.00 C ATOM 826 CG GLU A 51 -4.933 4.085 -12.276 1.00 0.00 C ATOM 827 CD GLU A 51 -6.257 4.282 -13.016 1.00 0.00 C ATOM 828 OE1 GLU A 51 -7.171 3.513 -12.769 1.00 0.00 O ATOM 829 OE2 GLU A 51 -6.335 5.199 -13.817 1.00 0.00 O ATOM 0 H GLU A 51 -5.118 3.121 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.775 2.132 -10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.073 3.078 -10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.455 4.644 -10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.331 4.992 -12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.358 3.287 -12.745 1.00 0.00 H new ATOM 836 N GLU A 52 -2.555 4.855 -9.380 1.00 0.00 N ATOM 837 CA GLU A 52 -1.389 5.780 -9.465 1.00 0.00 C ATOM 838 C GLU A 52 -0.094 4.968 -9.454 1.00 0.00 C ATOM 839 O GLU A 52 0.970 5.472 -9.752 1.00 0.00 O ATOM 840 CB GLU A 52 -1.405 6.735 -8.270 1.00 0.00 C ATOM 841 CG GLU A 52 -1.666 8.160 -8.760 1.00 0.00 C ATOM 842 CD GLU A 52 -2.686 8.836 -7.842 1.00 0.00 C ATOM 843 OE1 GLU A 52 -3.867 8.589 -8.017 1.00 0.00 O ATOM 844 OE2 GLU A 52 -2.268 9.592 -6.981 1.00 0.00 O ATOM 0 H GLU A 52 -3.134 4.959 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.449 6.356 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.177 6.435 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.453 6.689 -7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.736 8.729 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.039 8.141 -9.784 1.00 0.00 H new ATOM 851 N LEU A 53 -0.175 3.712 -9.109 1.00 0.00 N ATOM 852 CA LEU A 53 1.051 2.866 -9.077 1.00 0.00 C ATOM 853 C LEU A 53 1.090 1.972 -10.321 1.00 0.00 C ATOM 854 O LEU A 53 1.801 2.247 -11.268 1.00 0.00 O ATOM 855 CB LEU A 53 1.036 2.000 -7.814 1.00 0.00 C ATOM 856 CG LEU A 53 0.787 2.885 -6.591 1.00 0.00 C ATOM 857 CD1 LEU A 53 1.060 2.085 -5.316 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.722 4.095 -6.641 1.00 0.00 C ATOM 0 H LEU A 53 -1.038 3.235 -8.848 1.00 0.00 H new ATOM 0 HA LEU A 53 1.936 3.503 -9.068 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.258 1.240 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.985 1.475 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.249 3.223 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.882 2.716 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.396 1.221 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.096 1.747 -5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.546 4.727 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.758 3.755 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.529 4.666 -7.549 1.00 0.00 H new ATOM 870 N ASP A 54 0.330 0.909 -10.334 1.00 0.00 N ATOM 871 CA ASP A 54 0.328 0.010 -11.522 1.00 0.00 C ATOM 872 C ASP A 54 -0.344 0.728 -12.694 1.00 0.00 C ATOM 873 O ASP A 54 -0.718 1.879 -12.595 1.00 0.00 O ATOM 874 CB ASP A 54 -0.444 -1.270 -11.193 1.00 0.00 C ATOM 875 CG ASP A 54 0.215 -2.460 -11.893 1.00 0.00 C ATOM 876 OD1 ASP A 54 1.428 -2.446 -12.023 1.00 0.00 O ATOM 877 OD2 ASP A 54 -0.503 -3.364 -12.285 1.00 0.00 O ATOM 0 H ASP A 54 -0.288 0.626 -9.574 1.00 0.00 H new ATOM 0 HA ASP A 54 1.353 -0.247 -11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.458 -1.431 -10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.481 -1.174 -11.515 1.00 0.00 H new ATOM 882 N LYS A 55 -0.500 0.061 -13.807 1.00 0.00 N ATOM 883 CA LYS A 55 -1.147 0.718 -14.977 1.00 0.00 C ATOM 884 C LYS A 55 -1.609 -0.341 -15.979 1.00 0.00 C ATOM 885 O LYS A 55 -1.689 -0.086 -17.165 1.00 0.00 O ATOM 886 CB LYS A 55 -0.139 1.651 -15.654 1.00 0.00 C ATOM 887 CG LYS A 55 1.234 0.977 -15.690 1.00 0.00 C ATOM 888 CD LYS A 55 2.204 1.827 -16.516 1.00 0.00 C ATOM 889 CE LYS A 55 1.622 2.053 -17.933 1.00 0.00 C ATOM 890 NZ LYS A 55 2.735 2.342 -18.881 1.00 0.00 N ATOM 0 H LYS A 55 -0.209 -0.905 -13.955 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.010 1.290 -14.637 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.468 1.886 -16.666 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.079 2.594 -15.111 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.616 0.853 -14.677 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.149 -0.020 -16.123 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.373 2.785 -16.024 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.171 1.329 -16.585 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.072 1.170 -18.258 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.915 2.882 -17.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.348 2.494 -19.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.241 3.196 -18.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.393 1.537 -18.899 1.00 0.00 H new ATOM 904 N ASN A 56 -1.914 -1.526 -15.524 1.00 0.00 N ATOM 905 CA ASN A 56 -2.368 -2.581 -16.475 1.00 0.00 C ATOM 906 C ASN A 56 -3.558 -3.333 -15.880 1.00 0.00 C ATOM 907 O ASN A 56 -4.449 -3.763 -16.587 1.00 0.00 O ATOM 908 CB ASN A 56 -1.224 -3.564 -16.754 1.00 0.00 C ATOM 909 CG ASN A 56 -0.185 -3.497 -15.630 1.00 0.00 C ATOM 910 OD1 ASN A 56 0.678 -2.643 -15.635 1.00 0.00 O ATOM 911 ND2 ASN A 56 -0.236 -4.368 -14.664 1.00 0.00 N ATOM 0 H ASN A 56 -1.869 -1.808 -14.545 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.669 -2.110 -17.411 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.617 -4.577 -16.836 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.754 -3.326 -17.708 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.450 -4.334 -13.910 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.962 -5.085 -14.661 1.00 0.00 H new ATOM 918 N GLY A 57 -3.585 -3.496 -14.587 1.00 0.00 N ATOM 919 CA GLY A 57 -4.719 -4.219 -13.953 1.00 0.00 C ATOM 920 C GLY A 57 -4.227 -5.556 -13.403 1.00 0.00 C ATOM 921 O GLY A 57 -4.688 -6.608 -13.797 1.00 0.00 O ATOM 0 H GLY A 57 -2.870 -3.159 -13.942 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.144 -3.617 -13.150 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.512 -4.383 -14.682 1.00 0.00 H new ATOM 925 N ASP A 58 -3.300 -5.523 -12.487 1.00 0.00 N ATOM 926 CA ASP A 58 -2.789 -6.795 -11.904 1.00 0.00 C ATOM 927 C ASP A 58 -3.276 -6.909 -10.465 1.00 0.00 C ATOM 928 O ASP A 58 -3.201 -7.955 -9.851 1.00 0.00 O ATOM 929 CB ASP A 58 -1.260 -6.810 -11.917 1.00 0.00 C ATOM 930 CG ASP A 58 -0.771 -8.050 -12.668 1.00 0.00 C ATOM 931 OD1 ASP A 58 -1.461 -9.056 -12.620 1.00 0.00 O ATOM 932 OD2 ASP A 58 0.283 -7.975 -13.277 1.00 0.00 O ATOM 0 H ASP A 58 -2.875 -4.673 -12.117 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.156 -7.633 -12.497 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.880 -5.908 -12.396 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.877 -6.814 -10.897 1.00 0.00 H new ATOM 937 N GLY A 59 -3.778 -5.836 -9.919 1.00 0.00 N ATOM 938 CA GLY A 59 -4.270 -5.882 -8.517 1.00 0.00 C ATOM 939 C GLY A 59 -3.079 -5.949 -7.556 1.00 0.00 C ATOM 940 O GLY A 59 -3.240 -6.033 -6.355 1.00 0.00 O ATOM 0 H GLY A 59 -3.868 -4.932 -10.383 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.873 -5.000 -8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.914 -6.750 -8.375 1.00 0.00 H new ATOM 944 N GLU A 60 -1.885 -5.899 -8.079 1.00 0.00 N ATOM 945 CA GLU A 60 -0.676 -5.947 -7.209 1.00 0.00 C ATOM 946 C GLU A 60 0.289 -4.859 -7.660 1.00 0.00 C ATOM 947 O GLU A 60 0.315 -4.470 -8.811 1.00 0.00 O ATOM 948 CB GLU A 60 0.000 -7.313 -7.337 1.00 0.00 C ATOM 949 CG GLU A 60 1.419 -7.253 -6.765 1.00 0.00 C ATOM 950 CD GLU A 60 2.091 -8.615 -6.934 1.00 0.00 C ATOM 951 OE1 GLU A 60 1.472 -9.490 -7.517 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.212 -8.762 -6.475 1.00 0.00 O ATOM 0 H GLU A 60 -1.694 -5.826 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.961 -5.789 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.582 -8.067 -6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.034 -7.614 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.997 -6.484 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.387 -6.979 -5.710 1.00 0.00 H new ATOM 959 N VAL A 61 1.079 -4.367 -6.763 1.00 0.00 N ATOM 960 CA VAL A 61 2.044 -3.305 -7.122 1.00 0.00 C ATOM 961 C VAL A 61 3.448 -3.782 -6.743 1.00 0.00 C ATOM 962 O VAL A 61 3.698 -4.965 -6.625 1.00 0.00 O ATOM 963 CB VAL A 61 1.665 -2.023 -6.362 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.359 -1.972 -4.995 1.00 0.00 C ATOM 965 CG2 VAL A 61 2.071 -0.803 -7.183 1.00 0.00 C ATOM 0 H VAL A 61 1.099 -4.657 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 61 2.024 -3.092 -8.191 1.00 0.00 H new ATOM 0 HB VAL A 61 0.586 -2.022 -6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.075 -1.056 -4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.056 -2.834 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.440 -1.990 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.802 0.105 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.148 -0.819 -7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.554 -0.822 -8.142 1.00 0.00 H new ATOM 975 N SER A 62 4.358 -2.881 -6.542 1.00 0.00 N ATOM 976 CA SER A 62 5.731 -3.298 -6.159 1.00 0.00 C ATOM 977 C SER A 62 6.348 -2.202 -5.279 1.00 0.00 C ATOM 978 O SER A 62 5.716 -1.209 -4.979 1.00 0.00 O ATOM 979 CB SER A 62 6.561 -3.538 -7.426 1.00 0.00 C ATOM 980 OG SER A 62 6.993 -2.292 -7.962 1.00 0.00 O ATOM 0 H SER A 62 4.214 -1.875 -6.625 1.00 0.00 H new ATOM 0 HA SER A 62 5.710 -4.229 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.423 -4.163 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.967 -4.076 -8.165 1.00 0.00 H new ATOM 0 HG SER A 62 7.524 -2.450 -8.770 1.00 0.00 H new ATOM 986 N PHE A 63 7.562 -2.386 -4.836 1.00 0.00 N ATOM 987 CA PHE A 63 8.210 -1.377 -3.948 1.00 0.00 C ATOM 988 C PHE A 63 8.521 -0.117 -4.746 1.00 0.00 C ATOM 989 O PHE A 63 8.536 0.978 -4.220 1.00 0.00 O ATOM 990 CB PHE A 63 9.509 -1.979 -3.421 1.00 0.00 C ATOM 991 CG PHE A 63 9.943 -1.330 -2.125 1.00 0.00 C ATOM 992 CD1 PHE A 63 9.080 -1.303 -1.024 1.00 0.00 C ATOM 993 CD2 PHE A 63 11.231 -0.790 -2.014 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.500 -0.739 0.183 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.649 -0.216 -0.806 1.00 0.00 C ATOM 996 CZ PHE A 63 10.783 -0.194 0.295 1.00 0.00 C ATOM 0 H PHE A 63 8.138 -3.199 -5.053 1.00 0.00 H new ATOM 0 HA PHE A 63 7.547 -1.117 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.377 -3.050 -3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.294 -1.860 -4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.087 -1.719 -1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.902 -0.816 -2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.832 -0.724 1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.638 0.209 -0.724 1.00 0.00 H new ATOM 0 HZ PHE A 63 11.106 0.243 1.228 1.00 0.00 H new ATOM 1006 N GLU A 64 8.774 -0.266 -6.011 1.00 0.00 N ATOM 1007 CA GLU A 64 9.090 0.920 -6.848 1.00 0.00 C ATOM 1008 C GLU A 64 7.856 1.821 -6.935 1.00 0.00 C ATOM 1009 O GLU A 64 7.960 3.018 -7.110 1.00 0.00 O ATOM 1010 CB GLU A 64 9.492 0.463 -8.248 1.00 0.00 C ATOM 1011 CG GLU A 64 10.249 -0.864 -8.161 1.00 0.00 C ATOM 1012 CD GLU A 64 11.037 -1.088 -9.454 1.00 0.00 C ATOM 1013 OE1 GLU A 64 10.443 -1.556 -10.412 1.00 0.00 O ATOM 1014 OE2 GLU A 64 12.219 -0.790 -9.462 1.00 0.00 O ATOM 0 H GLU A 64 8.776 -1.159 -6.504 1.00 0.00 H new ATOM 0 HA GLU A 64 9.914 1.475 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.605 0.347 -8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.118 1.219 -8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.926 -0.853 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.549 -1.684 -8.002 1.00 0.00 H new ATOM 1021 N GLU A 65 6.686 1.255 -6.807 1.00 0.00 N ATOM 1022 CA GLU A 65 5.445 2.078 -6.874 1.00 0.00 C ATOM 1023 C GLU A 65 4.901 2.283 -5.457 1.00 0.00 C ATOM 1024 O GLU A 65 4.012 3.080 -5.230 1.00 0.00 O ATOM 1025 CB GLU A 65 4.397 1.362 -7.725 1.00 0.00 C ATOM 1026 CG GLU A 65 5.083 0.603 -8.863 1.00 0.00 C ATOM 1027 CD GLU A 65 4.452 1.005 -10.198 1.00 0.00 C ATOM 1028 OE1 GLU A 65 4.320 2.194 -10.434 1.00 0.00 O ATOM 1029 OE2 GLU A 65 4.110 0.115 -10.960 1.00 0.00 O ATOM 0 H GLU A 65 6.536 0.257 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 65 5.672 3.044 -7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.825 0.670 -7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.690 2.085 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.150 0.825 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.983 -0.472 -8.710 1.00 0.00 H new ATOM 1036 N PHE A 66 5.447 1.580 -4.500 1.00 0.00 N ATOM 1037 CA PHE A 66 4.993 1.738 -3.085 1.00 0.00 C ATOM 1038 C PHE A 66 5.658 2.986 -2.483 1.00 0.00 C ATOM 1039 O PHE A 66 5.558 3.256 -1.303 1.00 0.00 O ATOM 1040 CB PHE A 66 5.419 0.494 -2.295 1.00 0.00 C ATOM 1041 CG PHE A 66 4.875 0.565 -0.892 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.530 0.263 -0.649 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.706 0.957 0.162 1.00 0.00 C ATOM 1044 CE1 PHE A 66 3.013 0.363 0.648 1.00 0.00 C ATOM 1045 CE2 PHE A 66 5.192 1.048 1.456 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.845 0.756 1.701 1.00 0.00 C ATOM 0 H PHE A 66 6.193 0.898 -4.638 1.00 0.00 H new ATOM 0 HA PHE A 66 3.910 1.850 -3.042 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.053 -0.405 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.506 0.424 -2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.891 -0.047 -1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.744 1.189 -0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.974 0.137 0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.835 1.345 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.449 0.834 2.703 1.00 0.00 H new ATOM 1056 N GLN A 67 6.340 3.735 -3.306 1.00 0.00 N ATOM 1057 CA GLN A 67 7.040 4.973 -2.836 1.00 0.00 C ATOM 1058 C GLN A 67 6.071 6.143 -2.803 1.00 0.00 C ATOM 1059 O GLN A 67 6.087 6.960 -1.910 1.00 0.00 O ATOM 1060 CB GLN A 67 8.197 5.306 -3.778 1.00 0.00 C ATOM 1061 CG GLN A 67 9.116 4.093 -3.928 1.00 0.00 C ATOM 1062 CD GLN A 67 9.949 3.903 -2.646 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.610 4.825 -2.211 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.955 2.750 -2.009 1.00 0.00 N ATOM 0 H GLN A 67 6.445 3.541 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 67 7.425 4.795 -1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.809 5.601 -4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.761 6.154 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.523 3.199 -4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.777 4.230 -4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.404 1.968 -2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.510 2.639 -1.161 1.00 0.00 H new ATOM 1073 N VAL A 68 5.241 6.239 -3.784 1.00 0.00 N ATOM 1074 CA VAL A 68 4.266 7.366 -3.815 1.00 0.00 C ATOM 1075 C VAL A 68 3.641 7.523 -2.424 1.00 0.00 C ATOM 1076 O VAL A 68 3.209 8.590 -2.037 1.00 0.00 O ATOM 1077 CB VAL A 68 3.174 7.061 -4.833 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.491 8.363 -5.238 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.800 6.400 -6.063 1.00 0.00 C ATOM 0 H VAL A 68 5.187 5.592 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 68 4.774 8.289 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 68 2.438 6.386 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.708 8.152 -5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.051 8.832 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.225 9.037 -5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.022 6.180 -6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.533 7.075 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.292 5.473 -5.767 1.00 0.00 H new ATOM 1089 N LEU A 69 3.598 6.455 -1.677 1.00 0.00 N ATOM 1090 CA LEU A 69 3.010 6.494 -0.305 1.00 0.00 C ATOM 1091 C LEU A 69 4.072 6.928 0.698 1.00 0.00 C ATOM 1092 O LEU A 69 3.792 7.560 1.695 1.00 0.00 O ATOM 1093 CB LEU A 69 2.616 5.075 0.085 1.00 0.00 C ATOM 1094 CG LEU A 69 1.295 5.045 0.871 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.361 3.906 1.883 1.00 0.00 C ATOM 1096 CD2 LEU A 69 1.070 6.358 1.633 1.00 0.00 C ATOM 0 H LEU A 69 3.951 5.541 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 69 2.162 7.179 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.519 4.465 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.408 4.631 0.688 1.00 0.00 H new ATOM 0 HG LEU A 69 0.475 4.906 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.431 3.869 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.504 2.961 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.196 4.072 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.128 6.305 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.888 6.516 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.034 7.187 0.926 1.00 0.00 H new ATOM 1108 N VAL A 70 5.280 6.523 0.466 1.00 0.00 N ATOM 1109 CA VAL A 70 6.366 6.838 1.404 1.00 0.00 C ATOM 1110 C VAL A 70 6.505 8.358 1.569 1.00 0.00 C ATOM 1111 O VAL A 70 6.881 8.842 2.619 1.00 0.00 O ATOM 1112 CB VAL A 70 7.669 6.240 0.871 1.00 0.00 C ATOM 1113 CG1 VAL A 70 7.458 4.767 0.518 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.138 7.004 -0.371 1.00 0.00 C ATOM 0 H VAL A 70 5.560 5.978 -0.349 1.00 0.00 H new ATOM 0 HA VAL A 70 6.140 6.411 2.381 1.00 0.00 H new ATOM 0 HB VAL A 70 8.432 6.322 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.390 4.347 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.149 4.220 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.685 4.683 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.066 6.566 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.375 6.941 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.307 8.049 -0.113 1.00 0.00 H new ATOM 1124 N LYS A 71 6.196 9.118 0.548 1.00 0.00 N ATOM 1125 CA LYS A 71 6.305 10.601 0.666 1.00 0.00 C ATOM 1126 C LYS A 71 5.018 11.139 1.288 1.00 0.00 C ATOM 1127 O LYS A 71 4.930 12.286 1.681 1.00 0.00 O ATOM 1128 CB LYS A 71 6.512 11.223 -0.719 1.00 0.00 C ATOM 1129 CG LYS A 71 5.205 11.174 -1.520 1.00 0.00 C ATOM 1130 CD LYS A 71 5.308 12.117 -2.721 1.00 0.00 C ATOM 1131 CE LYS A 71 3.942 12.231 -3.397 1.00 0.00 C ATOM 1132 NZ LYS A 71 3.713 13.642 -3.822 1.00 0.00 N ATOM 0 H LYS A 71 5.875 8.776 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 71 7.157 10.859 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.846 12.255 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.296 10.686 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.011 10.156 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.367 11.464 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.649 13.100 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.046 11.742 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.896 11.568 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.157 11.915 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.783 13.720 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.740 14.264 -2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.456 13.928 -4.492 1.00 0.00 H new ATOM 1146 N LYS A 72 4.024 10.304 1.392 1.00 0.00 N ATOM 1147 CA LYS A 72 2.743 10.729 1.998 1.00 0.00 C ATOM 1148 C LYS A 72 2.966 10.865 3.500 1.00 0.00 C ATOM 1149 O LYS A 72 2.733 11.900 4.093 1.00 0.00 O ATOM 1150 CB LYS A 72 1.675 9.667 1.730 1.00 0.00 C ATOM 1151 CG LYS A 72 0.644 10.227 0.752 1.00 0.00 C ATOM 1152 CD LYS A 72 0.114 9.104 -0.143 1.00 0.00 C ATOM 1153 CE LYS A 72 -0.758 9.701 -1.248 1.00 0.00 C ATOM 1154 NZ LYS A 72 0.096 10.077 -2.409 1.00 0.00 N ATOM 0 H LYS A 72 4.049 9.334 1.078 1.00 0.00 H new ATOM 0 HA LYS A 72 2.410 11.676 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.134 8.768 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.190 9.378 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.179 10.686 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.096 11.009 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.945 8.550 -0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.465 8.395 0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.514 8.980 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.288 10.577 -0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.498 10.483 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.801 10.779 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.582 9.232 -2.771 1.00 0.00 H new ATOM 1168 N ILE A 73 3.430 9.812 4.104 1.00 0.00 N ATOM 1169 CA ILE A 73 3.706 9.786 5.526 1.00 0.00 C ATOM 1170 C ILE A 73 4.603 10.911 5.962 1.00 0.00 C ATOM 1171 O ILE A 73 4.279 11.695 6.832 1.00 0.00 O ATOM 1172 CB ILE A 73 4.438 8.471 5.722 1.00 0.00 C ATOM 1173 CG1 ILE A 73 3.478 7.531 6.323 1.00 0.00 C ATOM 1174 CG2 ILE A 73 5.659 8.591 6.648 1.00 0.00 C ATOM 1175 CD1 ILE A 73 2.895 6.606 5.251 1.00 0.00 C ATOM 0 H ILE A 73 3.633 8.934 3.627 1.00 0.00 H new ATOM 0 HA ILE A 73 2.789 9.889 6.106 1.00 0.00 H new ATOM 0 HB ILE A 73 4.811 8.135 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.972 6.939 7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.675 8.084 6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.138 7.617 6.747 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.368 9.303 6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.338 8.939 7.630 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.187 5.917 5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.383 7.202 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.700 6.040 4.782 1.00 0.00 H new ATOM 1187 N SER A 74 5.777 10.911 5.438 1.00 0.00 N ATOM 1188 CA SER A 74 6.758 11.889 5.900 1.00 0.00 C ATOM 1189 C SER A 74 6.112 13.273 6.028 1.00 0.00 C ATOM 1190 O SER A 74 5.745 13.698 7.106 1.00 0.00 O ATOM 1191 CB SER A 74 7.944 11.945 4.935 1.00 0.00 C ATOM 1192 OG SER A 74 8.600 13.198 5.071 1.00 0.00 O ATOM 0 H SER A 74 6.097 10.274 4.709 1.00 0.00 H new ATOM 0 HA SER A 74 7.120 11.582 6.881 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.639 11.133 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.600 11.811 3.909 1.00 0.00 H new ATOM 0 HG SER A 74 9.362 13.237 4.455 1.00 0.00 H new ATOM 1198 N GLN A 75 5.968 13.978 4.940 1.00 0.00 N ATOM 1199 CA GLN A 75 5.344 15.329 5.008 1.00 0.00 C ATOM 1200 C GLN A 75 4.049 15.335 4.192 1.00 0.00 C ATOM 1201 O GLN A 75 3.317 16.306 4.288 1.00 0.00 O ATOM 1202 CB GLN A 75 6.313 16.366 4.438 1.00 0.00 C ATOM 1203 CG GLN A 75 7.725 16.080 4.953 1.00 0.00 C ATOM 1204 CD GLN A 75 8.443 17.399 5.234 1.00 0.00 C ATOM 1205 OE1 GLN A 75 9.347 17.777 4.515 1.00 0.00 O ATOM 1206 NE2 GLN A 75 8.079 18.122 6.258 1.00 0.00 N ATOM 1207 OXT GLN A 75 3.811 14.367 3.488 1.00 0.00 O ATOM 0 H GLN A 75 6.255 13.678 4.008 1.00 0.00 H new ATOM 0 HA GLN A 75 5.119 15.574 6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.298 16.334 3.349 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.003 17.369 4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.677 15.479 5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.282 15.501 4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.320 17.805 6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.553 19.004 6.454 1.00 0.00 H new