USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 484 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 44 HIS : no HD1:sc= -2.5! C(o=-1.2!,f=-7.3!) USER MOD Set 1.2: A 46 SER OG : rot -87:sc= 1.33 USER MOD Set 2.1: A 17 SER OG : rot 111:sc= 0.0112! USER MOD Set 2.2: A 20 THR OG1 : rot 140:sc= 1.29 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.24 (180deg=-1.44!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.909! USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.1!) USER MOD Single : A 12 GLN : amide:sc= -7.02! C(o=-7!,f=-6.9!) USER MOD Single : A 28 SER OG : rot -56:sc= 0.269 USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.132 (180deg=-0.858) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -140:sc= 0.119 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.39! C(o=-1.4!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.658 10.475 -14.190 1.00 0.00 N ATOM 2 CA MET A 1 2.355 9.057 -13.846 1.00 0.00 C ATOM 3 C MET A 1 2.420 8.875 -12.328 1.00 0.00 C ATOM 4 O MET A 1 3.470 8.973 -11.724 1.00 0.00 O ATOM 5 CB MET A 1 3.379 8.140 -14.517 1.00 0.00 C ATOM 6 CG MET A 1 2.873 6.696 -14.476 1.00 0.00 C ATOM 7 SD MET A 1 4.076 5.607 -15.283 1.00 0.00 S ATOM 8 CE MET A 1 3.940 6.294 -16.953 1.00 0.00 C ATOM 0 H1 MET A 1 2.614 10.599 -15.222 1.00 0.00 H new ATOM 0 H2 MET A 1 1.961 11.099 -13.736 1.00 0.00 H new ATOM 0 H3 MET A 1 3.611 10.718 -13.853 1.00 0.00 H new ATOM 0 HA MET A 1 1.355 8.802 -14.198 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.541 8.451 -15.549 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.340 8.215 -14.007 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.720 6.383 -13.443 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.908 6.624 -14.978 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.212 5.532 -17.683 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.914 6.618 -17.131 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.612 7.147 -17.051 1.00 0.00 H new ATOM 20 N TYR A 2 1.304 8.611 -11.708 1.00 0.00 N ATOM 21 CA TYR A 2 1.294 8.423 -10.229 1.00 0.00 C ATOM 22 C TYR A 2 -0.098 7.929 -9.805 1.00 0.00 C ATOM 23 O TYR A 2 -1.104 8.419 -10.277 1.00 0.00 O ATOM 24 CB TYR A 2 1.619 9.775 -9.546 1.00 0.00 C ATOM 25 CG TYR A 2 2.571 9.573 -8.378 1.00 0.00 C ATOM 26 CD1 TYR A 2 2.208 8.738 -7.312 1.00 0.00 C ATOM 27 CD2 TYR A 2 3.813 10.225 -8.362 1.00 0.00 C ATOM 28 CE1 TYR A 2 3.084 8.558 -6.236 1.00 0.00 C ATOM 29 CE2 TYR A 2 4.687 10.043 -7.285 1.00 0.00 C ATOM 30 CZ TYR A 2 4.322 9.209 -6.222 1.00 0.00 C ATOM 31 OH TYR A 2 5.185 9.030 -5.159 1.00 0.00 O ATOM 0 H TYR A 2 0.396 8.517 -12.162 1.00 0.00 H new ATOM 0 HA TYR A 2 2.042 7.688 -9.930 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.065 10.456 -10.271 1.00 0.00 H new ATOM 0 HB3 TYR A 2 0.698 10.241 -9.195 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.253 8.234 -7.321 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.095 10.868 -9.182 1.00 0.00 H new ATOM 0 HE1 TYR A 2 2.804 7.915 -5.415 1.00 0.00 H new ATOM 0 HE2 TYR A 2 5.643 10.546 -7.274 1.00 0.00 H new ATOM 0 HH TYR A 2 6.001 9.553 -5.308 1.00 0.00 H new ATOM 41 N LEU A 3 -0.157 6.969 -8.914 1.00 0.00 N ATOM 42 CA LEU A 3 -1.478 6.438 -8.444 1.00 0.00 C ATOM 43 C LEU A 3 -1.526 6.540 -6.918 1.00 0.00 C ATOM 44 O LEU A 3 -0.726 5.949 -6.219 1.00 0.00 O ATOM 45 CB LEU A 3 -1.639 4.967 -8.883 1.00 0.00 C ATOM 46 CG LEU A 3 -0.264 4.257 -8.936 1.00 0.00 C ATOM 47 CD1 LEU A 3 -0.433 2.769 -8.602 1.00 0.00 C ATOM 48 CD2 LEU A 3 0.344 4.376 -10.342 1.00 0.00 C ATOM 0 H LEU A 3 0.658 6.527 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.291 7.019 -8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.297 4.445 -8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.113 4.925 -9.863 1.00 0.00 H new ATOM 0 HG LEU A 3 0.396 4.732 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.538 2.275 -8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.853 2.666 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.104 2.308 -9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.310 3.872 -10.364 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.324 3.912 -11.068 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.477 5.428 -10.593 1.00 0.00 H new ATOM 60 N THR A 4 -2.454 7.294 -6.396 1.00 0.00 N ATOM 61 CA THR A 4 -2.548 7.442 -4.918 1.00 0.00 C ATOM 62 C THR A 4 -3.134 6.169 -4.307 1.00 0.00 C ATOM 63 O THR A 4 -3.428 5.213 -4.995 1.00 0.00 O ATOM 64 CB THR A 4 -3.448 8.635 -4.578 1.00 0.00 C ATOM 65 OG1 THR A 4 -4.008 8.451 -3.285 1.00 0.00 O ATOM 66 CG2 THR A 4 -4.571 8.744 -5.609 1.00 0.00 C ATOM 0 H THR A 4 -3.151 7.814 -6.930 1.00 0.00 H new ATOM 0 HA THR A 4 -1.551 7.611 -4.510 1.00 0.00 H new ATOM 0 HB THR A 4 -2.856 9.550 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.582 9.214 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.209 9.593 -5.364 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.142 8.887 -6.601 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.164 7.830 -5.599 1.00 0.00 H new ATOM 74 N LEU A 5 -3.299 6.154 -3.014 1.00 0.00 N ATOM 75 CA LEU A 5 -3.860 4.951 -2.342 1.00 0.00 C ATOM 76 C LEU A 5 -5.129 4.495 -3.064 1.00 0.00 C ATOM 77 O LEU A 5 -5.326 3.324 -3.320 1.00 0.00 O ATOM 78 CB LEU A 5 -4.198 5.300 -0.888 1.00 0.00 C ATOM 79 CG LEU A 5 -4.689 4.035 -0.125 1.00 0.00 C ATOM 80 CD1 LEU A 5 -4.077 4.001 1.283 1.00 0.00 C ATOM 81 CD2 LEU A 5 -6.222 4.049 -0.008 1.00 0.00 C ATOM 0 H LEU A 5 -3.068 6.928 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.126 4.146 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.319 5.713 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.969 6.070 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.376 3.151 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.426 3.113 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.990 3.974 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.380 4.892 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.554 3.160 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.537 4.939 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.663 4.058 -1.005 1.00 0.00 H new ATOM 93 N GLN A 6 -5.996 5.413 -3.385 1.00 0.00 N ATOM 94 CA GLN A 6 -7.260 5.040 -4.082 1.00 0.00 C ATOM 95 C GLN A 6 -6.953 4.110 -5.258 1.00 0.00 C ATOM 96 O GLN A 6 -7.370 2.968 -5.287 1.00 0.00 O ATOM 97 CB GLN A 6 -7.950 6.305 -4.595 1.00 0.00 C ATOM 98 CG GLN A 6 -8.124 7.296 -3.442 1.00 0.00 C ATOM 99 CD GLN A 6 -9.099 8.401 -3.857 1.00 0.00 C ATOM 100 OE1 GLN A 6 -8.890 9.068 -4.851 1.00 0.00 O ATOM 101 NE2 GLN A 6 -10.160 8.625 -3.132 1.00 0.00 N ATOM 0 H GLN A 6 -5.885 6.409 -3.195 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.917 4.524 -3.382 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -7.358 6.757 -5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.921 6.054 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.499 6.779 -2.559 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.161 7.729 -3.173 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.335 8.065 -2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.815 9.360 -3.399 1.00 0.00 H new ATOM 110 N GLU A 7 -6.230 4.588 -6.233 1.00 0.00 N ATOM 111 CA GLU A 7 -5.904 3.734 -7.410 1.00 0.00 C ATOM 112 C GLU A 7 -4.982 2.587 -6.982 1.00 0.00 C ATOM 113 O GLU A 7 -4.926 1.554 -7.620 1.00 0.00 O ATOM 114 CB GLU A 7 -5.206 4.586 -8.476 1.00 0.00 C ATOM 115 CG GLU A 7 -6.241 5.440 -9.212 1.00 0.00 C ATOM 116 CD GLU A 7 -5.526 6.510 -10.038 1.00 0.00 C ATOM 117 OE1 GLU A 7 -4.564 6.168 -10.707 1.00 0.00 O ATOM 118 OE2 GLU A 7 -5.950 7.652 -9.988 1.00 0.00 O ATOM 0 H GLU A 7 -5.850 5.534 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.824 3.317 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.457 5.226 -8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.681 3.943 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.851 4.812 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.916 5.909 -8.496 1.00 0.00 H new ATOM 125 N TRP A 8 -4.259 2.754 -5.909 1.00 0.00 N ATOM 126 CA TRP A 8 -3.350 1.669 -5.453 1.00 0.00 C ATOM 127 C TRP A 8 -4.172 0.411 -5.171 1.00 0.00 C ATOM 128 O TRP A 8 -3.919 -0.643 -5.718 1.00 0.00 O ATOM 129 CB TRP A 8 -2.638 2.120 -4.178 1.00 0.00 C ATOM 130 CG TRP A 8 -1.464 1.238 -3.905 1.00 0.00 C ATOM 131 CD1 TRP A 8 -0.374 1.111 -4.699 1.00 0.00 C ATOM 132 CD2 TRP A 8 -1.244 0.363 -2.768 1.00 0.00 C ATOM 133 NE1 TRP A 8 0.500 0.213 -4.112 1.00 0.00 N ATOM 134 CE2 TRP A 8 0.007 -0.273 -2.922 1.00 0.00 C ATOM 135 CE3 TRP A 8 -2.004 0.064 -1.627 1.00 0.00 C ATOM 136 CZ2 TRP A 8 0.491 -1.172 -1.978 1.00 0.00 C ATOM 137 CZ3 TRP A 8 -1.522 -0.847 -0.671 1.00 0.00 C ATOM 138 CH2 TRP A 8 -0.272 -1.462 -0.848 1.00 0.00 C ATOM 0 H TRP A 8 -4.259 3.594 -5.330 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.611 1.450 -6.224 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.309 3.154 -4.282 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.329 2.089 -3.336 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.214 1.625 -5.635 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.399 -0.056 -4.512 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.964 0.536 -1.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.453 -1.643 -2.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.115 -1.075 0.202 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.098 -2.158 -0.110 1.00 0.00 H new ATOM 149 N ASN A 9 -5.163 0.516 -4.328 1.00 0.00 N ATOM 150 CA ASN A 9 -6.004 -0.673 -4.024 1.00 0.00 C ATOM 151 C ASN A 9 -6.593 -1.212 -5.327 1.00 0.00 C ATOM 152 O ASN A 9 -6.723 -2.405 -5.517 1.00 0.00 O ATOM 153 CB ASN A 9 -7.139 -0.271 -3.080 1.00 0.00 C ATOM 154 CG ASN A 9 -6.566 0.486 -1.882 1.00 0.00 C ATOM 155 OD1 ASN A 9 -7.225 1.331 -1.309 1.00 0.00 O ATOM 156 ND2 ASN A 9 -5.355 0.219 -1.476 1.00 0.00 N ATOM 0 H ASN A 9 -5.425 1.372 -3.839 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.395 -1.441 -3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.860 0.354 -3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.674 -1.158 -2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.963 0.719 -0.678 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.801 -0.490 -1.956 1.00 0.00 H new ATOM 163 N ALA A 10 -6.949 -0.339 -6.230 1.00 0.00 N ATOM 164 CA ALA A 10 -7.526 -0.795 -7.524 1.00 0.00 C ATOM 165 C ALA A 10 -6.518 -1.692 -8.246 1.00 0.00 C ATOM 166 O ALA A 10 -6.871 -2.468 -9.110 1.00 0.00 O ATOM 167 CB ALA A 10 -7.844 0.420 -8.399 1.00 0.00 C ATOM 0 H ALA A 10 -6.864 0.672 -6.126 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.441 -1.356 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.266 0.085 -9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.563 1.059 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.929 0.982 -8.588 1.00 0.00 H new ATOM 173 N ARG A 11 -5.261 -1.592 -7.897 1.00 0.00 N ATOM 174 CA ARG A 11 -4.228 -2.439 -8.566 1.00 0.00 C ATOM 175 C ARG A 11 -4.109 -3.779 -7.832 1.00 0.00 C ATOM 176 O ARG A 11 -3.720 -4.776 -8.406 1.00 0.00 O ATOM 177 CB ARG A 11 -2.876 -1.718 -8.532 1.00 0.00 C ATOM 178 CG ARG A 11 -2.945 -0.429 -9.368 1.00 0.00 C ATOM 179 CD ARG A 11 -2.919 -0.747 -10.874 1.00 0.00 C ATOM 180 NE ARG A 11 -4.303 -1.026 -11.348 1.00 0.00 N ATOM 181 CZ ARG A 11 -4.565 -1.025 -12.626 1.00 0.00 C ATOM 182 NH1 ARG A 11 -3.617 -0.776 -13.486 1.00 0.00 N ATOM 183 NH2 ARG A 11 -5.778 -1.273 -13.044 1.00 0.00 N ATOM 0 H ARG A 11 -4.905 -0.961 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.521 -2.617 -9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.608 -1.480 -7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.096 -2.372 -8.921 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.855 0.119 -9.124 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.106 0.219 -9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.497 0.092 -11.426 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.278 -1.608 -11.063 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.045 -1.218 -10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.670 -0.582 -13.160 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.822 -0.775 -14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.520 -1.467 -12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.983 -1.272 -14.043 1.00 0.00 H new ATOM 197 N GLN A 12 -4.448 -3.814 -6.571 1.00 0.00 N ATOM 198 CA GLN A 12 -4.359 -5.095 -5.817 1.00 0.00 C ATOM 199 C GLN A 12 -5.496 -6.015 -6.266 1.00 0.00 C ATOM 200 O GLN A 12 -6.657 -5.668 -6.185 1.00 0.00 O ATOM 201 CB GLN A 12 -4.485 -4.815 -4.313 1.00 0.00 C ATOM 202 CG GLN A 12 -3.148 -4.310 -3.764 1.00 0.00 C ATOM 203 CD GLN A 12 -2.780 -2.988 -4.438 1.00 0.00 C ATOM 204 OE1 GLN A 12 -3.046 -1.927 -3.907 1.00 0.00 O ATOM 205 NE2 GLN A 12 -2.175 -3.005 -5.593 1.00 0.00 N ATOM 0 H GLN A 12 -4.781 -3.014 -6.033 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.399 -5.574 -6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.264 -4.074 -4.136 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.784 -5.723 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.216 -4.173 -2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.368 -5.050 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.952 -3.895 -6.039 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.925 -2.128 -6.051 1.00 0.00 H new ATOM 214 N ARG A 13 -5.171 -7.182 -6.746 1.00 0.00 N ATOM 215 CA ARG A 13 -6.232 -8.121 -7.208 1.00 0.00 C ATOM 216 C ARG A 13 -7.073 -8.575 -6.012 1.00 0.00 C ATOM 217 O ARG A 13 -8.107 -9.194 -6.170 1.00 0.00 O ATOM 218 CB ARG A 13 -5.578 -9.340 -7.863 1.00 0.00 C ATOM 219 CG ARG A 13 -4.705 -8.887 -9.038 1.00 0.00 C ATOM 220 CD ARG A 13 -3.747 -10.014 -9.431 1.00 0.00 C ATOM 221 NE ARG A 13 -2.873 -9.556 -10.548 1.00 0.00 N ATOM 222 CZ ARG A 13 -1.790 -10.221 -10.843 1.00 0.00 C ATOM 223 NH1 ARG A 13 -1.470 -11.286 -10.161 1.00 0.00 N ATOM 224 NH2 ARG A 13 -1.024 -9.820 -11.822 1.00 0.00 N ATOM 0 H ARG A 13 -4.216 -7.527 -6.839 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.874 -7.617 -7.930 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.972 -9.876 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.344 -10.032 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.333 -8.617 -9.887 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.141 -7.996 -8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.139 -10.304 -8.574 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.311 -10.896 -9.734 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.121 -8.723 -11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.067 -11.600 -9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.623 -11.805 -10.393 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.273 -8.987 -12.356 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.177 -10.340 -12.053 1.00 0.00 H new ATOM 238 N ARG A 14 -6.639 -8.278 -4.815 1.00 0.00 N ATOM 239 CA ARG A 14 -7.417 -8.701 -3.610 1.00 0.00 C ATOM 240 C ARG A 14 -7.157 -7.706 -2.464 1.00 0.00 C ATOM 241 O ARG A 14 -6.396 -7.976 -1.556 1.00 0.00 O ATOM 242 CB ARG A 14 -6.976 -10.126 -3.208 1.00 0.00 C ATOM 243 CG ARG A 14 -8.156 -10.912 -2.607 1.00 0.00 C ATOM 244 CD ARG A 14 -8.729 -10.177 -1.384 1.00 0.00 C ATOM 245 NE ARG A 14 -9.798 -9.238 -1.826 1.00 0.00 N ATOM 246 CZ ARG A 14 -10.630 -8.742 -0.953 1.00 0.00 C ATOM 247 NH1 ARG A 14 -10.526 -9.065 0.307 1.00 0.00 N ATOM 248 NH2 ARG A 14 -11.567 -7.919 -1.339 1.00 0.00 N ATOM 0 H ARG A 14 -5.781 -7.762 -4.619 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.485 -8.708 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.589 -10.652 -4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.163 -10.070 -2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.935 -11.040 -3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.825 -11.909 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.133 -10.895 -0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.938 -9.629 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.879 -8.983 -2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.793 -9.706 0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.178 -8.676 0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.648 -7.664 -2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.218 -7.531 -0.656 1.00 0.00 H new ATOM 262 N PRO A 15 -7.780 -6.557 -2.513 1.00 0.00 N ATOM 263 CA PRO A 15 -7.608 -5.506 -1.473 1.00 0.00 C ATOM 264 C PRO A 15 -8.541 -5.717 -0.276 1.00 0.00 C ATOM 265 O PRO A 15 -9.152 -6.754 -0.126 1.00 0.00 O ATOM 266 CB PRO A 15 -7.970 -4.227 -2.227 1.00 0.00 C ATOM 267 CG PRO A 15 -9.023 -4.654 -3.203 1.00 0.00 C ATOM 268 CD PRO A 15 -8.718 -6.122 -3.562 1.00 0.00 C ATOM 0 HA PRO A 15 -6.606 -5.499 -1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.344 -3.459 -1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.103 -3.807 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.017 -4.560 -2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.005 -4.025 -4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.623 -6.729 -3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.275 -6.207 -4.554 1.00 0.00 H new ATOM 276 N ARG A 16 -8.655 -4.733 0.572 1.00 0.00 N ATOM 277 CA ARG A 16 -9.547 -4.856 1.763 1.00 0.00 C ATOM 278 C ARG A 16 -10.069 -3.467 2.137 1.00 0.00 C ATOM 279 O ARG A 16 -10.293 -2.630 1.286 1.00 0.00 O ATOM 280 CB ARG A 16 -8.757 -5.433 2.944 1.00 0.00 C ATOM 281 CG ARG A 16 -8.155 -6.788 2.556 1.00 0.00 C ATOM 282 CD ARG A 16 -7.606 -7.488 3.803 1.00 0.00 C ATOM 283 NE ARG A 16 -6.631 -8.538 3.394 1.00 0.00 N ATOM 284 CZ ARG A 16 -5.824 -9.059 4.278 1.00 0.00 C ATOM 285 NH1 ARG A 16 -5.880 -8.669 5.522 1.00 0.00 N ATOM 286 NH2 ARG A 16 -4.963 -9.971 3.919 1.00 0.00 N ATOM 0 H ARG A 16 -8.166 -3.842 0.492 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.380 -5.519 1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.965 -4.743 3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.411 -5.550 3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.914 -7.411 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.358 -6.647 1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.122 -6.763 4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.422 -7.935 4.371 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.594 -8.850 2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.554 -7.957 5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.250 -9.076 6.213 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.920 -10.277 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.333 -10.378 4.610 1.00 0.00 H new ATOM 300 N SER A 17 -10.256 -3.210 3.402 1.00 0.00 N ATOM 301 CA SER A 17 -10.753 -1.869 3.821 1.00 0.00 C ATOM 302 C SER A 17 -9.594 -0.874 3.788 1.00 0.00 C ATOM 303 O SER A 17 -8.439 -1.248 3.748 1.00 0.00 O ATOM 304 CB SER A 17 -11.327 -1.955 5.237 1.00 0.00 C ATOM 305 OG SER A 17 -10.484 -2.773 6.037 1.00 0.00 O ATOM 0 H SER A 17 -10.087 -3.869 4.162 1.00 0.00 H new ATOM 0 HA SER A 17 -11.537 -1.536 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.404 -0.958 5.671 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.335 -2.370 5.209 1.00 0.00 H new ATOM 0 HG SER A 17 -10.032 -2.220 6.708 1.00 0.00 H new ATOM 311 N LEU A 18 -9.893 0.393 3.799 1.00 0.00 N ATOM 312 CA LEU A 18 -8.810 1.410 3.762 1.00 0.00 C ATOM 313 C LEU A 18 -8.107 1.461 5.118 1.00 0.00 C ATOM 314 O LEU A 18 -6.904 1.312 5.208 1.00 0.00 O ATOM 315 CB LEU A 18 -9.417 2.776 3.439 1.00 0.00 C ATOM 316 CG LEU A 18 -10.394 2.645 2.264 1.00 0.00 C ATOM 317 CD1 LEU A 18 -10.807 4.041 1.792 1.00 0.00 C ATOM 318 CD2 LEU A 18 -9.721 1.893 1.107 1.00 0.00 C ATOM 0 H LEU A 18 -10.841 0.768 3.832 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.082 1.145 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.936 3.170 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.628 3.485 3.190 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.275 2.090 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.502 3.952 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.291 4.574 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.923 4.593 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.420 1.803 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.838 2.442 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.426 0.899 1.442 1.00 0.00 H new ATOM 330 N GLU A 19 -8.841 1.667 6.177 1.00 0.00 N ATOM 331 CA GLU A 19 -8.197 1.719 7.519 1.00 0.00 C ATOM 332 C GLU A 19 -7.368 0.455 7.720 1.00 0.00 C ATOM 333 O GLU A 19 -6.385 0.451 8.434 1.00 0.00 O ATOM 334 CB GLU A 19 -9.271 1.813 8.605 1.00 0.00 C ATOM 335 CG GLU A 19 -10.124 3.062 8.371 1.00 0.00 C ATOM 336 CD GLU A 19 -11.375 2.998 9.249 1.00 0.00 C ATOM 337 OE1 GLU A 19 -11.964 1.933 9.330 1.00 0.00 O ATOM 338 OE2 GLU A 19 -11.723 4.016 9.824 1.00 0.00 O ATOM 0 H GLU A 19 -9.852 1.801 6.171 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.552 2.595 7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.899 0.922 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.805 1.857 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.548 3.957 8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.407 3.130 7.321 1.00 0.00 H new ATOM 345 N THR A 20 -7.741 -0.615 7.077 1.00 0.00 N ATOM 346 CA THR A 20 -6.954 -1.867 7.215 1.00 0.00 C ATOM 347 C THR A 20 -5.590 -1.626 6.568 1.00 0.00 C ATOM 348 O THR A 20 -4.567 -2.054 7.066 1.00 0.00 O ATOM 349 CB THR A 20 -7.702 -3.016 6.517 1.00 0.00 C ATOM 350 OG1 THR A 20 -8.703 -3.517 7.391 1.00 0.00 O ATOM 351 CG2 THR A 20 -6.737 -4.152 6.154 1.00 0.00 C ATOM 0 H THR A 20 -8.554 -0.675 6.464 1.00 0.00 H new ATOM 0 HA THR A 20 -6.820 -2.141 8.262 1.00 0.00 H new ATOM 0 HB THR A 20 -8.154 -2.635 5.601 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.514 -3.716 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.287 -4.954 5.662 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.967 -3.774 5.481 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.270 -4.536 7.061 1.00 0.00 H new ATOM 359 N VAL A 21 -5.566 -0.924 5.469 1.00 0.00 N ATOM 360 CA VAL A 21 -4.268 -0.637 4.808 1.00 0.00 C ATOM 361 C VAL A 21 -3.443 0.274 5.720 1.00 0.00 C ATOM 362 O VAL A 21 -2.242 0.134 5.826 1.00 0.00 O ATOM 363 CB VAL A 21 -4.512 0.054 3.462 1.00 0.00 C ATOM 364 CG1 VAL A 21 -3.185 0.574 2.904 1.00 0.00 C ATOM 365 CG2 VAL A 21 -5.113 -0.951 2.477 1.00 0.00 C ATOM 0 H VAL A 21 -6.388 -0.539 5.003 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.729 -1.567 4.630 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.200 0.888 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.360 1.065 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.751 1.288 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.498 -0.260 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.287 -0.462 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.422 -1.783 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.058 -1.325 2.870 1.00 0.00 H new ATOM 375 N ARG A 22 -4.078 1.207 6.383 1.00 0.00 N ATOM 376 CA ARG A 22 -3.315 2.114 7.283 1.00 0.00 C ATOM 377 C ARG A 22 -2.530 1.274 8.292 1.00 0.00 C ATOM 378 O ARG A 22 -1.435 1.623 8.687 1.00 0.00 O ATOM 379 CB ARG A 22 -4.283 3.042 8.023 1.00 0.00 C ATOM 380 CG ARG A 22 -4.938 4.007 7.026 1.00 0.00 C ATOM 381 CD ARG A 22 -5.582 5.175 7.779 1.00 0.00 C ATOM 382 NE ARG A 22 -4.532 6.166 8.147 1.00 0.00 N ATOM 383 CZ ARG A 22 -4.871 7.370 8.521 1.00 0.00 C ATOM 384 NH1 ARG A 22 -6.132 7.704 8.581 1.00 0.00 N ATOM 385 NH2 ARG A 22 -3.950 8.240 8.835 1.00 0.00 N ATOM 0 H ARG A 22 -5.083 1.377 6.339 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.624 2.718 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.048 2.455 8.532 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.749 3.603 8.790 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.192 4.382 6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.691 3.482 6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.342 5.648 7.157 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.084 4.811 8.675 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.547 5.903 8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.852 7.024 8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.397 8.645 8.873 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.965 7.979 8.788 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.215 9.181 9.127 1.00 0.00 H new ATOM 399 N ARG A 23 -3.076 0.161 8.705 1.00 0.00 N ATOM 400 CA ARG A 23 -2.354 -0.705 9.673 1.00 0.00 C ATOM 401 C ARG A 23 -1.117 -1.273 8.989 1.00 0.00 C ATOM 402 O ARG A 23 -0.062 -1.388 9.579 1.00 0.00 O ATOM 403 CB ARG A 23 -3.264 -1.851 10.122 1.00 0.00 C ATOM 404 CG ARG A 23 -4.299 -1.327 11.119 1.00 0.00 C ATOM 405 CD ARG A 23 -5.125 -2.498 11.655 1.00 0.00 C ATOM 406 NE ARG A 23 -4.216 -3.516 12.253 1.00 0.00 N ATOM 407 CZ ARG A 23 -4.702 -4.452 13.023 1.00 0.00 C ATOM 408 NH1 ARG A 23 -5.983 -4.496 13.266 1.00 0.00 N ATOM 409 NH2 ARG A 23 -3.907 -5.343 13.549 1.00 0.00 N ATOM 0 H ARG A 23 -3.991 -0.183 8.412 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.063 -0.122 10.547 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.765 -2.289 9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.670 -2.641 10.581 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.801 -0.812 11.941 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.950 -0.599 10.635 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.834 -2.144 12.403 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.708 -2.944 10.849 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.215 -3.482 12.061 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.604 -3.800 12.855 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.363 -5.227 13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.905 -5.309 13.359 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.287 -6.074 14.150 1.00 0.00 H new ATOM 423 N TRP A 24 -1.241 -1.631 7.739 1.00 0.00 N ATOM 424 CA TRP A 24 -0.075 -2.193 7.015 1.00 0.00 C ATOM 425 C TRP A 24 1.092 -1.208 7.093 1.00 0.00 C ATOM 426 O TRP A 24 2.197 -1.563 7.453 1.00 0.00 O ATOM 427 CB TRP A 24 -0.436 -2.425 5.547 1.00 0.00 C ATOM 428 CG TRP A 24 -1.624 -3.332 5.425 1.00 0.00 C ATOM 429 CD1 TRP A 24 -2.250 -3.968 6.447 1.00 0.00 C ATOM 430 CD2 TRP A 24 -2.336 -3.712 4.214 1.00 0.00 C ATOM 431 NE1 TRP A 24 -3.299 -4.711 5.934 1.00 0.00 N ATOM 432 CE2 TRP A 24 -3.393 -4.585 4.562 1.00 0.00 C ATOM 433 CE3 TRP A 24 -2.167 -3.383 2.857 1.00 0.00 C ATOM 434 CZ2 TRP A 24 -4.252 -5.114 3.597 1.00 0.00 C ATOM 435 CZ3 TRP A 24 -3.029 -3.914 1.884 1.00 0.00 C ATOM 436 CH2 TRP A 24 -4.071 -4.777 2.254 1.00 0.00 C ATOM 0 H TRP A 24 -2.099 -1.557 7.193 1.00 0.00 H new ATOM 0 HA TRP A 24 0.207 -3.141 7.473 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.651 -1.471 5.066 1.00 0.00 H new ATOM 0 HB3 TRP A 24 0.415 -2.861 5.024 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -1.975 -3.905 7.489 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -3.926 -5.282 6.500 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.369 -2.718 2.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.051 -5.780 3.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.889 -3.656 0.845 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.732 -5.180 1.501 1.00 0.00 H new ATOM 447 N VAL A 25 0.853 0.029 6.753 1.00 0.00 N ATOM 448 CA VAL A 25 1.946 1.042 6.800 1.00 0.00 C ATOM 449 C VAL A 25 2.499 1.131 8.224 1.00 0.00 C ATOM 450 O VAL A 25 3.676 0.940 8.454 1.00 0.00 O ATOM 451 CB VAL A 25 1.397 2.406 6.383 1.00 0.00 C ATOM 452 CG1 VAL A 25 2.527 3.436 6.396 1.00 0.00 C ATOM 453 CG2 VAL A 25 0.812 2.310 4.971 1.00 0.00 C ATOM 0 H VAL A 25 -0.053 0.382 6.444 1.00 0.00 H new ATOM 0 HA VAL A 25 2.743 0.746 6.117 1.00 0.00 H new ATOM 0 HB VAL A 25 0.617 2.712 7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.136 4.409 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.945 3.505 7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.307 3.130 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.420 3.282 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.592 2.004 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.007 1.575 4.960 1.00 0.00 H new ATOM 463 N ARG A 26 1.662 1.415 9.187 1.00 0.00 N ATOM 464 CA ARG A 26 2.152 1.505 10.593 1.00 0.00 C ATOM 465 C ARG A 26 2.994 0.265 10.906 1.00 0.00 C ATOM 466 O ARG A 26 4.034 0.346 11.528 1.00 0.00 O ATOM 467 CB ARG A 26 0.958 1.572 11.552 1.00 0.00 C ATOM 468 CG ARG A 26 0.374 2.988 11.553 1.00 0.00 C ATOM 469 CD ARG A 26 -0.959 2.998 12.305 1.00 0.00 C ATOM 470 NE ARG A 26 -2.026 2.434 11.431 1.00 0.00 N ATOM 471 CZ ARG A 26 -3.166 2.065 11.947 1.00 0.00 C ATOM 472 NH1 ARG A 26 -3.370 2.182 13.230 1.00 0.00 N ATOM 473 NH2 ARG A 26 -4.102 1.578 11.179 1.00 0.00 N ATOM 0 H ARG A 26 0.665 1.588 9.061 1.00 0.00 H new ATOM 0 HA ARG A 26 2.758 2.403 10.715 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.196 0.854 11.249 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.272 1.297 12.559 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.073 3.679 12.024 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.227 3.331 10.529 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.877 2.412 13.221 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.215 4.016 12.599 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.865 2.336 10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.638 2.562 13.830 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.261 1.893 13.633 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.942 1.486 10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.993 1.289 11.582 1.00 0.00 H new ATOM 487 N GLU A 27 2.553 -0.878 10.463 1.00 0.00 N ATOM 488 CA GLU A 27 3.323 -2.126 10.716 1.00 0.00 C ATOM 489 C GLU A 27 4.487 -2.198 9.722 1.00 0.00 C ATOM 490 O GLU A 27 5.449 -2.912 9.925 1.00 0.00 O ATOM 491 CB GLU A 27 2.403 -3.333 10.536 1.00 0.00 C ATOM 492 CG GLU A 27 1.319 -3.313 11.616 1.00 0.00 C ATOM 493 CD GLU A 27 0.262 -4.371 11.300 1.00 0.00 C ATOM 494 OE1 GLU A 27 -0.508 -4.155 10.379 1.00 0.00 O ATOM 495 OE2 GLU A 27 0.240 -5.381 11.984 1.00 0.00 O ATOM 0 H GLU A 27 1.689 -1.002 9.935 1.00 0.00 H new ATOM 0 HA GLU A 27 3.714 -2.128 11.733 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.946 -3.311 9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.979 -4.256 10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.761 -3.507 12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.858 -2.327 11.665 1.00 0.00 H new ATOM 502 N SER A 28 4.411 -1.438 8.661 1.00 0.00 N ATOM 503 CA SER A 28 5.511 -1.418 7.651 1.00 0.00 C ATOM 504 C SER A 28 5.512 -2.693 6.797 1.00 0.00 C ATOM 505 O SER A 28 6.554 -3.235 6.486 1.00 0.00 O ATOM 506 CB SER A 28 6.850 -1.283 8.375 1.00 0.00 C ATOM 507 OG SER A 28 7.389 -2.576 8.622 1.00 0.00 O ATOM 0 H SER A 28 3.625 -0.823 8.449 1.00 0.00 H new ATOM 0 HA SER A 28 5.354 -0.570 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.544 -0.697 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.715 -0.748 9.315 1.00 0.00 H new ATOM 0 HG SER A 28 6.739 -3.111 9.125 1.00 0.00 H new ATOM 513 N ARG A 29 4.364 -3.168 6.395 1.00 0.00 N ATOM 514 CA ARG A 29 4.318 -4.390 5.542 1.00 0.00 C ATOM 515 C ARG A 29 4.463 -3.966 4.076 1.00 0.00 C ATOM 516 O ARG A 29 5.015 -4.682 3.268 1.00 0.00 O ATOM 517 CB ARG A 29 2.964 -5.102 5.758 1.00 0.00 C ATOM 518 CG ARG A 29 3.129 -6.287 6.716 1.00 0.00 C ATOM 519 CD ARG A 29 3.545 -5.791 8.100 1.00 0.00 C ATOM 520 NE ARG A 29 3.797 -6.960 8.989 1.00 0.00 N ATOM 521 CZ ARG A 29 4.459 -6.805 10.103 1.00 0.00 C ATOM 522 NH1 ARG A 29 4.928 -5.631 10.427 1.00 0.00 N ATOM 523 NH2 ARG A 29 4.660 -7.826 10.889 1.00 0.00 N ATOM 0 H ARG A 29 3.456 -2.762 6.621 1.00 0.00 H new ATOM 0 HA ARG A 29 5.126 -5.073 5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.236 -4.398 6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.573 -5.451 4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.193 -6.841 6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.879 -6.976 6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.443 -5.178 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.763 -5.160 8.523 1.00 0.00 H new ATOM 0 HE ARG A 29 3.451 -7.883 8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.777 -4.833 9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.445 -5.511 11.298 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.300 -8.745 10.633 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.177 -7.705 11.760 1.00 0.00 H new ATOM 537 N ILE A 30 3.972 -2.809 3.728 1.00 0.00 N ATOM 538 CA ILE A 30 4.084 -2.349 2.313 1.00 0.00 C ATOM 539 C ILE A 30 5.510 -1.875 2.043 1.00 0.00 C ATOM 540 O ILE A 30 6.252 -1.561 2.951 1.00 0.00 O ATOM 541 CB ILE A 30 3.107 -1.192 2.067 1.00 0.00 C ATOM 542 CG1 ILE A 30 1.768 -1.512 2.734 1.00 0.00 C ATOM 543 CG2 ILE A 30 2.896 -1.005 0.559 1.00 0.00 C ATOM 544 CD1 ILE A 30 0.769 -0.394 2.435 1.00 0.00 C ATOM 0 H ILE A 30 3.499 -2.163 4.360 1.00 0.00 H new ATOM 0 HA ILE A 30 3.841 -3.176 1.645 1.00 0.00 H new ATOM 0 HB ILE A 30 3.517 -0.274 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.385 -2.464 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.902 -1.616 3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.202 -0.182 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.850 -0.779 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.486 -1.921 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.185 -0.622 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.152 0.550 2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.627 -0.311 1.357 1.00 0.00 H new ATOM 556 N PHE A 31 5.897 -1.807 0.799 1.00 0.00 N ATOM 557 CA PHE A 31 7.274 -1.338 0.486 1.00 0.00 C ATOM 558 C PHE A 31 7.421 -1.118 -1.036 1.00 0.00 C ATOM 559 O PHE A 31 7.105 -2.004 -1.803 1.00 0.00 O ATOM 560 CB PHE A 31 8.280 -2.400 0.936 1.00 0.00 C ATOM 561 CG PHE A 31 9.683 -1.891 0.701 1.00 0.00 C ATOM 562 CD1 PHE A 31 10.305 -2.101 -0.535 1.00 0.00 C ATOM 563 CD2 PHE A 31 10.360 -1.211 1.720 1.00 0.00 C ATOM 564 CE1 PHE A 31 11.605 -1.629 -0.753 1.00 0.00 C ATOM 565 CE2 PHE A 31 11.660 -0.740 1.502 1.00 0.00 C ATOM 566 CZ PHE A 31 12.282 -0.948 0.266 1.00 0.00 C ATOM 0 H PHE A 31 5.324 -2.054 -0.008 1.00 0.00 H new ATOM 0 HA PHE A 31 7.461 -0.399 1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.136 -2.629 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.120 -3.326 0.384 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.782 -2.627 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.880 -1.050 2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 31 12.085 -1.790 -1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.183 -0.216 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.285 -0.583 0.098 1.00 0.00 H new ATOM 576 N PRO A 32 7.912 0.028 -1.496 1.00 0.00 N ATOM 577 CA PRO A 32 8.339 1.200 -0.653 1.00 0.00 C ATOM 578 C PRO A 32 7.130 1.918 -0.020 1.00 0.00 C ATOM 579 O PRO A 32 6.004 1.712 -0.428 1.00 0.00 O ATOM 580 CB PRO A 32 9.067 2.135 -1.654 1.00 0.00 C ATOM 581 CG PRO A 32 9.269 1.316 -2.894 1.00 0.00 C ATOM 582 CD PRO A 32 8.124 0.314 -2.919 1.00 0.00 C ATOM 0 HA PRO A 32 8.968 0.895 0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.473 3.024 -1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.020 2.477 -1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.258 1.945 -3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.233 0.808 -2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.231 0.731 -3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.385 -0.585 -3.478 1.00 0.00 H new ATOM 590 N PRO A 33 7.358 2.758 0.960 1.00 0.00 N ATOM 591 CA PRO A 33 6.263 3.514 1.641 1.00 0.00 C ATOM 592 C PRO A 33 5.831 4.759 0.839 1.00 0.00 C ATOM 593 O PRO A 33 6.590 5.276 0.043 1.00 0.00 O ATOM 594 CB PRO A 33 6.913 3.926 2.964 1.00 0.00 C ATOM 595 CG PRO A 33 8.353 4.127 2.618 1.00 0.00 C ATOM 596 CD PRO A 33 8.678 3.082 1.538 1.00 0.00 C ATOM 0 HA PRO A 33 5.354 2.923 1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.467 4.839 3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.790 3.155 3.725 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.528 5.137 2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.987 3.993 3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.358 3.481 0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.156 2.200 1.964 1.00 0.00 H new ATOM 604 N PRO A 34 4.629 5.246 1.054 1.00 0.00 N ATOM 605 CA PRO A 34 4.110 6.457 0.343 1.00 0.00 C ATOM 606 C PRO A 34 4.693 7.755 0.920 1.00 0.00 C ATOM 607 O PRO A 34 5.404 7.742 1.906 1.00 0.00 O ATOM 608 CB PRO A 34 2.600 6.388 0.592 1.00 0.00 C ATOM 609 CG PRO A 34 2.478 5.719 1.923 1.00 0.00 C ATOM 610 CD PRO A 34 3.625 4.702 1.990 1.00 0.00 C ATOM 0 HA PRO A 34 4.380 6.466 -0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.152 7.382 0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.093 5.819 -0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.552 6.445 2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.512 5.225 2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.025 4.615 3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.296 3.707 1.691 1.00 0.00 H new ATOM 618 N VAL A 35 4.387 8.875 0.317 1.00 0.00 N ATOM 619 CA VAL A 35 4.909 10.182 0.829 1.00 0.00 C ATOM 620 C VAL A 35 3.822 10.863 1.665 1.00 0.00 C ATOM 621 O VAL A 35 2.673 10.926 1.274 1.00 0.00 O ATOM 622 CB VAL A 35 5.297 11.084 -0.353 1.00 0.00 C ATOM 623 CG1 VAL A 35 4.175 11.086 -1.394 1.00 0.00 C ATOM 624 CG2 VAL A 35 5.534 12.519 0.140 1.00 0.00 C ATOM 0 H VAL A 35 3.796 8.943 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 35 5.790 10.008 1.447 1.00 0.00 H new ATOM 0 HB VAL A 35 6.212 10.700 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.455 11.727 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.011 10.070 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.258 11.462 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.809 13.153 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.622 12.901 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.339 12.523 0.874 1.00 0.00 H new ATOM 634 N LYS A 36 4.184 11.378 2.809 1.00 0.00 N ATOM 635 CA LYS A 36 3.197 12.061 3.676 1.00 0.00 C ATOM 636 C LYS A 36 2.914 13.451 3.105 1.00 0.00 C ATOM 637 O LYS A 36 3.404 14.447 3.600 1.00 0.00 O ATOM 638 CB LYS A 36 3.786 12.198 5.081 1.00 0.00 C ATOM 639 CG LYS A 36 4.053 10.804 5.697 1.00 0.00 C ATOM 640 CD LYS A 36 5.474 10.324 5.365 1.00 0.00 C ATOM 641 CE LYS A 36 5.790 9.072 6.188 1.00 0.00 C ATOM 642 NZ LYS A 36 4.574 8.216 6.278 1.00 0.00 N ATOM 0 H LYS A 36 5.134 11.351 3.179 1.00 0.00 H new ATOM 0 HA LYS A 36 2.271 11.487 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.715 12.767 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.099 12.757 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.923 10.848 6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.324 10.088 5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.557 10.104 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.197 11.110 5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.605 8.516 5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.123 9.355 7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.846 7.257 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.916 8.620 6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.110 8.173 5.348 1.00 0.00 H new ATOM 656 N ASP A 37 2.142 13.526 2.060 1.00 0.00 N ATOM 657 CA ASP A 37 1.846 14.852 1.449 1.00 0.00 C ATOM 658 C ASP A 37 1.029 15.711 2.424 1.00 0.00 C ATOM 659 O ASP A 37 -0.115 16.039 2.174 1.00 0.00 O ATOM 660 CB ASP A 37 1.070 14.646 0.141 1.00 0.00 C ATOM 661 CG ASP A 37 1.551 13.362 -0.537 1.00 0.00 C ATOM 662 OD1 ASP A 37 1.253 12.298 -0.023 1.00 0.00 O ATOM 663 OD2 ASP A 37 2.208 13.466 -1.560 1.00 0.00 O ATOM 0 H ASP A 37 1.703 12.728 1.601 1.00 0.00 H new ATOM 0 HA ASP A 37 2.781 15.370 1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.001 14.584 0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.219 15.498 -0.522 1.00 0.00 H new ATOM 668 N GLY A 38 1.618 16.091 3.526 1.00 0.00 N ATOM 669 CA GLY A 38 0.893 16.943 4.513 1.00 0.00 C ATOM 670 C GLY A 38 -0.174 16.123 5.240 1.00 0.00 C ATOM 671 O GLY A 38 -0.202 16.064 6.454 1.00 0.00 O ATOM 0 H GLY A 38 2.574 15.847 3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.598 17.356 5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.428 17.787 4.003 1.00 0.00 H new ATOM 675 N ARG A 39 -1.065 15.503 4.513 1.00 0.00 N ATOM 676 CA ARG A 39 -2.144 14.698 5.166 1.00 0.00 C ATOM 677 C ARG A 39 -2.476 13.474 4.309 1.00 0.00 C ATOM 678 O ARG A 39 -2.892 12.450 4.813 1.00 0.00 O ATOM 679 CB ARG A 39 -3.401 15.559 5.318 1.00 0.00 C ATOM 680 CG ARG A 39 -3.055 16.854 6.064 1.00 0.00 C ATOM 681 CD ARG A 39 -4.338 17.659 6.369 1.00 0.00 C ATOM 682 NE ARG A 39 -4.098 19.113 6.101 1.00 0.00 N ATOM 683 CZ ARG A 39 -3.029 19.719 6.548 1.00 0.00 C ATOM 684 NH1 ARG A 39 -2.207 19.103 7.352 1.00 0.00 N ATOM 685 NH2 ARG A 39 -2.802 20.961 6.218 1.00 0.00 N ATOM 0 H ARG A 39 -1.094 15.518 3.494 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.798 14.370 6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.814 15.793 4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.167 15.008 5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.536 16.618 6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.374 17.457 5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.161 17.297 5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.631 17.515 7.409 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.782 19.641 5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.396 18.142 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.375 19.582 7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.457 21.456 5.613 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.969 21.437 6.565 1.00 0.00 H new ATOM 699 N GLU A 40 -2.302 13.569 3.018 1.00 0.00 N ATOM 700 CA GLU A 40 -2.616 12.405 2.136 1.00 0.00 C ATOM 701 C GLU A 40 -1.396 11.496 2.026 1.00 0.00 C ATOM 702 O GLU A 40 -0.364 11.731 2.627 1.00 0.00 O ATOM 703 CB GLU A 40 -3.012 12.912 0.733 1.00 0.00 C ATOM 704 CG GLU A 40 -4.527 13.108 0.659 1.00 0.00 C ATOM 705 CD GLU A 40 -4.879 13.938 -0.576 1.00 0.00 C ATOM 706 OE1 GLU A 40 -4.309 13.679 -1.623 1.00 0.00 O ATOM 707 OE2 GLU A 40 -5.713 14.820 -0.455 1.00 0.00 O ATOM 0 H GLU A 40 -1.957 14.399 2.536 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.445 11.842 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.504 13.853 0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.691 12.198 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.027 12.140 0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.883 13.609 1.559 1.00 0.00 H new ATOM 714 N TYR A 41 -1.517 10.454 1.253 1.00 0.00 N ATOM 715 CA TYR A 41 -0.386 9.502 1.076 1.00 0.00 C ATOM 716 C TYR A 41 -0.370 9.022 -0.372 1.00 0.00 C ATOM 717 O TYR A 41 -1.206 8.243 -0.786 1.00 0.00 O ATOM 718 CB TYR A 41 -0.588 8.310 2.012 1.00 0.00 C ATOM 719 CG TYR A 41 -0.740 8.816 3.426 1.00 0.00 C ATOM 720 CD1 TYR A 41 0.371 9.330 4.101 1.00 0.00 C ATOM 721 CD2 TYR A 41 -1.989 8.779 4.060 1.00 0.00 C ATOM 722 CE1 TYR A 41 0.237 9.808 5.407 1.00 0.00 C ATOM 723 CE2 TYR A 41 -2.123 9.258 5.367 1.00 0.00 C ATOM 724 CZ TYR A 41 -1.010 9.772 6.043 1.00 0.00 C ATOM 725 OH TYR A 41 -1.142 10.244 7.332 1.00 0.00 O ATOM 0 H TYR A 41 -2.361 10.219 0.730 1.00 0.00 H new ATOM 0 HA TYR A 41 0.560 9.990 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.472 7.745 1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.261 7.630 1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.334 9.358 3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.848 8.381 3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.096 10.206 5.927 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.086 9.231 5.855 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.073 10.147 7.622 1.00 0.00 H new ATOM 735 N LEU A 42 0.572 9.479 -1.149 1.00 0.00 N ATOM 736 CA LEU A 42 0.637 9.045 -2.578 1.00 0.00 C ATOM 737 C LEU A 42 1.423 7.734 -2.662 1.00 0.00 C ATOM 738 O LEU A 42 2.545 7.639 -2.206 1.00 0.00 O ATOM 739 CB LEU A 42 1.320 10.142 -3.418 1.00 0.00 C ATOM 740 CG LEU A 42 0.275 11.127 -3.965 1.00 0.00 C ATOM 741 CD1 LEU A 42 -0.608 11.652 -2.822 1.00 0.00 C ATOM 742 CD2 LEU A 42 0.998 12.298 -4.638 1.00 0.00 C ATOM 0 H LEU A 42 1.299 10.133 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.367 8.885 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.048 10.676 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.868 9.688 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.359 10.616 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.344 12.349 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.121 10.817 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.014 12.163 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.264 13.002 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.632 12.802 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.614 11.924 -5.456 1.00 0.00 H new ATOM 754 N PHE A 43 0.831 6.719 -3.234 1.00 0.00 N ATOM 755 CA PHE A 43 1.523 5.401 -3.344 1.00 0.00 C ATOM 756 C PHE A 43 2.249 5.307 -4.692 1.00 0.00 C ATOM 757 O PHE A 43 1.642 5.132 -5.730 1.00 0.00 O ATOM 758 CB PHE A 43 0.476 4.279 -3.222 1.00 0.00 C ATOM 759 CG PHE A 43 0.199 4.005 -1.757 1.00 0.00 C ATOM 760 CD1 PHE A 43 -0.600 4.884 -1.012 1.00 0.00 C ATOM 761 CD2 PHE A 43 0.764 2.884 -1.140 1.00 0.00 C ATOM 762 CE1 PHE A 43 -0.831 4.637 0.346 1.00 0.00 C ATOM 763 CE2 PHE A 43 0.528 2.637 0.217 1.00 0.00 C ATOM 764 CZ PHE A 43 -0.269 3.514 0.960 1.00 0.00 C ATOM 0 H PHE A 43 -0.108 6.747 -3.632 1.00 0.00 H new ATOM 0 HA PHE A 43 2.259 5.299 -2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.444 4.569 -3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.838 3.374 -3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.037 5.751 -1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.383 2.208 -1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.444 5.315 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.961 1.769 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.450 3.324 2.008 1.00 0.00 H new ATOM 774 N HIS A 44 3.551 5.425 -4.671 1.00 0.00 N ATOM 775 CA HIS A 44 4.349 5.347 -5.930 1.00 0.00 C ATOM 776 C HIS A 44 3.845 4.199 -6.806 1.00 0.00 C ATOM 777 O HIS A 44 3.077 3.362 -6.376 1.00 0.00 O ATOM 778 CB HIS A 44 5.819 5.109 -5.581 1.00 0.00 C ATOM 779 CG HIS A 44 6.649 5.172 -6.833 1.00 0.00 C ATOM 780 ND1 HIS A 44 7.610 4.219 -7.132 1.00 0.00 N ATOM 781 CD2 HIS A 44 6.677 6.069 -7.872 1.00 0.00 C ATOM 782 CE1 HIS A 44 8.171 4.562 -8.306 1.00 0.00 C ATOM 783 NE2 HIS A 44 7.639 5.682 -8.801 1.00 0.00 N ATOM 0 H HIS A 44 4.101 5.574 -3.825 1.00 0.00 H new ATOM 0 HA HIS A 44 4.243 6.284 -6.477 1.00 0.00 H new ATOM 0 HB2 HIS A 44 6.160 5.859 -4.868 1.00 0.00 H new ATOM 0 HB3 HIS A 44 5.937 4.137 -5.102 1.00 0.00 H new ATOM 0 HD2 HIS A 44 6.048 6.943 -7.956 1.00 0.00 H new ATOM 0 HE1 HIS A 44 8.956 4.000 -8.789 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.884 6.153 -9.672 1.00 0.00 H new ATOM 791 N GLU A 45 4.277 4.160 -8.036 1.00 0.00 N ATOM 792 CA GLU A 45 3.833 3.075 -8.954 1.00 0.00 C ATOM 793 C GLU A 45 4.665 1.817 -8.699 1.00 0.00 C ATOM 794 O GLU A 45 4.903 1.028 -9.591 1.00 0.00 O ATOM 795 CB GLU A 45 4.027 3.529 -10.403 1.00 0.00 C ATOM 796 CG GLU A 45 5.520 3.710 -10.688 1.00 0.00 C ATOM 797 CD GLU A 45 5.698 4.499 -11.987 1.00 0.00 C ATOM 798 OE1 GLU A 45 5.203 5.612 -12.052 1.00 0.00 O ATOM 799 OE2 GLU A 45 6.324 3.976 -12.894 1.00 0.00 O ATOM 0 H GLU A 45 4.921 4.836 -8.446 1.00 0.00 H new ATOM 0 HA GLU A 45 2.780 2.855 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.603 2.793 -11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.497 4.466 -10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.998 4.236 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.006 2.738 -10.771 1.00 0.00 H new ATOM 806 N SER A 46 5.116 1.622 -7.485 1.00 0.00 N ATOM 807 CA SER A 46 5.941 0.414 -7.174 1.00 0.00 C ATOM 808 C SER A 46 5.634 -0.083 -5.759 1.00 0.00 C ATOM 809 O SER A 46 6.353 -0.895 -5.212 1.00 0.00 O ATOM 810 CB SER A 46 7.423 0.777 -7.271 1.00 0.00 C ATOM 811 OG SER A 46 7.794 1.548 -6.136 1.00 0.00 O ATOM 0 H SER A 46 4.949 2.247 -6.696 1.00 0.00 H new ATOM 0 HA SER A 46 5.703 -0.374 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.028 -0.128 -7.323 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.612 1.340 -8.185 1.00 0.00 H new ATOM 0 HG SER A 46 7.616 2.495 -6.312 1.00 0.00 H new ATOM 817 N ALA A 47 4.572 0.385 -5.157 1.00 0.00 N ATOM 818 CA ALA A 47 4.234 -0.080 -3.783 1.00 0.00 C ATOM 819 C ALA A 47 3.490 -1.411 -3.877 1.00 0.00 C ATOM 820 O ALA A 47 2.789 -1.677 -4.833 1.00 0.00 O ATOM 821 CB ALA A 47 3.351 0.957 -3.086 1.00 0.00 C ATOM 0 H ALA A 47 3.927 1.067 -5.557 1.00 0.00 H new ATOM 0 HA ALA A 47 5.149 -0.210 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.107 0.611 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.884 1.906 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.432 1.094 -3.656 1.00 0.00 H new ATOM 827 N VAL A 48 3.643 -2.251 -2.893 1.00 0.00 N ATOM 828 CA VAL A 48 2.956 -3.572 -2.919 1.00 0.00 C ATOM 829 C VAL A 48 2.742 -4.051 -1.482 1.00 0.00 C ATOM 830 O VAL A 48 3.530 -3.761 -0.603 1.00 0.00 O ATOM 831 CB VAL A 48 3.837 -4.583 -3.651 1.00 0.00 C ATOM 832 CG1 VAL A 48 3.970 -4.186 -5.123 1.00 0.00 C ATOM 833 CG2 VAL A 48 5.221 -4.597 -2.996 1.00 0.00 C ATOM 0 H VAL A 48 4.217 -2.079 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 48 1.997 -3.478 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 48 3.387 -5.574 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.599 -4.911 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.983 -4.167 -5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.422 -3.197 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.860 -5.315 -3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.665 -3.604 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.125 -4.882 -1.948 1.00 0.00 H new ATOM 843 N LYS A 49 1.696 -4.791 -1.235 1.00 0.00 N ATOM 844 CA LYS A 49 1.454 -5.292 0.149 1.00 0.00 C ATOM 845 C LYS A 49 2.353 -6.505 0.398 1.00 0.00 C ATOM 846 O LYS A 49 2.789 -7.165 -0.524 1.00 0.00 O ATOM 847 CB LYS A 49 -0.012 -5.698 0.315 1.00 0.00 C ATOM 848 CG LYS A 49 -0.442 -6.601 -0.849 1.00 0.00 C ATOM 849 CD LYS A 49 -1.658 -7.433 -0.431 1.00 0.00 C ATOM 850 CE LYS A 49 -2.251 -8.123 -1.661 1.00 0.00 C ATOM 851 NZ LYS A 49 -3.352 -9.034 -1.236 1.00 0.00 N ATOM 0 H LYS A 49 1.001 -5.070 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 49 1.682 -4.503 0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.148 -6.221 1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.642 -4.809 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.686 -5.995 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.379 -7.258 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.366 -8.176 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.406 -6.793 0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.630 -7.379 -2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.478 -8.687 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.307 -9.914 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.249 -9.254 -0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.269 -8.570 -1.398 1.00 0.00 H new ATOM 865 N VAL A 50 2.646 -6.798 1.637 1.00 0.00 N ATOM 866 CA VAL A 50 3.534 -7.960 1.949 1.00 0.00 C ATOM 867 C VAL A 50 3.056 -8.633 3.240 1.00 0.00 C ATOM 868 O VAL A 50 2.313 -8.064 4.013 1.00 0.00 O ATOM 869 CB VAL A 50 4.978 -7.471 2.137 1.00 0.00 C ATOM 870 CG1 VAL A 50 5.942 -8.653 2.020 1.00 0.00 C ATOM 871 CG2 VAL A 50 5.321 -6.429 1.063 1.00 0.00 C ATOM 0 H VAL A 50 2.309 -6.282 2.450 1.00 0.00 H new ATOM 0 HA VAL A 50 3.497 -8.674 1.126 1.00 0.00 H new ATOM 0 HB VAL A 50 5.073 -7.018 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.965 -8.302 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.708 -9.391 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.841 -9.109 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.346 -6.087 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.220 -6.878 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.641 -5.581 1.148 1.00 0.00 H new ATOM 881 N ASP A 51 3.480 -9.847 3.472 1.00 0.00 N ATOM 882 CA ASP A 51 3.056 -10.572 4.708 1.00 0.00 C ATOM 883 C ASP A 51 4.143 -11.574 5.110 1.00 0.00 C ATOM 884 O ASP A 51 5.149 -11.210 5.688 1.00 0.00 O ATOM 885 CB ASP A 51 1.749 -11.321 4.437 1.00 0.00 C ATOM 886 CG ASP A 51 0.646 -10.318 4.099 1.00 0.00 C ATOM 887 OD1 ASP A 51 0.476 -9.376 4.857 1.00 0.00 O ATOM 888 OD2 ASP A 51 -0.010 -10.507 3.088 1.00 0.00 O ATOM 0 H ASP A 51 4.104 -10.370 2.857 1.00 0.00 H new ATOM 0 HA ASP A 51 2.904 -9.856 5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.883 -12.021 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.466 -11.908 5.311 1.00 0.00 H new ATOM 893 N LEU A 52 3.945 -12.835 4.808 1.00 0.00 N ATOM 894 CA LEU A 52 4.959 -13.878 5.167 1.00 0.00 C ATOM 895 C LEU A 52 5.222 -14.770 3.949 1.00 0.00 C ATOM 896 O LEU A 52 6.145 -14.544 3.192 1.00 0.00 O ATOM 897 CB LEU A 52 4.426 -14.735 6.322 1.00 0.00 C ATOM 898 CG LEU A 52 4.119 -13.848 7.537 1.00 0.00 C ATOM 899 CD1 LEU A 52 3.304 -14.650 8.554 1.00 0.00 C ATOM 900 CD2 LEU A 52 5.425 -13.371 8.193 1.00 0.00 C ATOM 0 H LEU A 52 3.119 -13.189 4.325 1.00 0.00 H new ATOM 0 HA LEU A 52 5.887 -13.394 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.524 -15.261 6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.161 -15.494 6.592 1.00 0.00 H new ATOM 0 HG LEU A 52 3.551 -12.978 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.084 -14.024 9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.371 -14.977 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.876 -15.521 8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.192 -12.743 9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.004 -14.234 8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.006 -12.797 7.471 1.00 0.00 H new ATOM 912 N ASN A 53 4.421 -15.783 3.752 1.00 0.00 N ATOM 913 CA ASN A 53 4.634 -16.683 2.583 1.00 0.00 C ATOM 914 C ASN A 53 3.511 -17.721 2.523 1.00 0.00 C ATOM 915 O ASN A 53 2.939 -17.971 1.481 1.00 0.00 O ATOM 916 CB ASN A 53 5.981 -17.396 2.730 1.00 0.00 C ATOM 917 CG ASN A 53 6.136 -17.898 4.166 1.00 0.00 C ATOM 918 OD1 ASN A 53 5.388 -18.747 4.609 1.00 0.00 O ATOM 919 ND2 ASN A 53 7.081 -17.407 4.919 1.00 0.00 N ATOM 0 H ASN A 53 3.630 -16.025 4.349 1.00 0.00 H new ATOM 0 HA ASN A 53 4.631 -16.094 1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.041 -18.232 2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.795 -16.715 2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.191 -17.736 5.878 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.710 -16.694 4.549 1.00 0.00 H new ATOM 926 N ARG A 54 3.195 -18.331 3.636 1.00 0.00 N ATOM 927 CA ARG A 54 2.112 -19.357 3.652 1.00 0.00 C ATOM 928 C ARG A 54 0.893 -18.831 2.875 1.00 0.00 C ATOM 929 O ARG A 54 0.680 -17.639 2.793 1.00 0.00 O ATOM 930 CB ARG A 54 1.710 -19.640 5.107 1.00 0.00 C ATOM 931 CG ARG A 54 1.690 -18.326 5.894 1.00 0.00 C ATOM 932 CD ARG A 54 1.146 -18.566 7.307 1.00 0.00 C ATOM 933 NE ARG A 54 -0.114 -19.383 7.256 1.00 0.00 N ATOM 934 CZ ARG A 54 -1.154 -19.007 6.557 1.00 0.00 C ATOM 935 NH1 ARG A 54 -1.196 -17.822 6.013 1.00 0.00 N ATOM 936 NH2 ARG A 54 -2.180 -19.805 6.447 1.00 0.00 N ATOM 0 H ARG A 54 3.642 -18.162 4.537 1.00 0.00 H new ATOM 0 HA ARG A 54 2.468 -20.274 3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.728 -20.111 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.413 -20.338 5.561 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.696 -17.911 5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.071 -17.593 5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.895 -19.080 7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.947 -17.611 7.793 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.160 -20.256 7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.413 -17.179 6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.012 -17.539 5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.169 -20.717 6.905 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.994 -19.517 5.903 1.00 0.00 H new ATOM 950 N PRO A 55 0.094 -19.709 2.313 1.00 0.00 N ATOM 951 CA PRO A 55 -1.120 -19.302 1.542 1.00 0.00 C ATOM 952 C PRO A 55 -2.228 -18.775 2.464 1.00 0.00 C ATOM 953 O PRO A 55 -2.505 -19.426 3.459 1.00 0.00 O ATOM 954 CB PRO A 55 -1.554 -20.600 0.844 1.00 0.00 C ATOM 955 CG PRO A 55 -1.056 -21.693 1.732 1.00 0.00 C ATOM 956 CD PRO A 55 0.251 -21.178 2.342 1.00 0.00 C ATOM 957 OXT PRO A 55 -2.778 -17.730 2.158 1.00 0.00 O ATOM 0 HA PRO A 55 -0.918 -18.488 0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.637 -20.645 0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.125 -20.675 -0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.784 -21.927 2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.888 -22.609 1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.391 -21.546 3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.117 -21.500 1.764 1.00 0.00 H new TER 965 PRO A 55