USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 35 SER OG : rot -110:sc= -3.28! USER MOD Set 1.2: A 38 GLN : amide:sc= -0.438 K(o=-3.7,f=-6.3!) USER MOD Set 2.1: A 10 MET CE :methyl -133:sc= -0.931 (180deg=-2!) USER MOD Set 2.2: A 76 GLN : amide:sc= -2.42 K(o=-3.4,f=-4.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.15) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0731 USER MOD Single : A 9 ASN : amide:sc= -0.33 K(o=-0.33,f=-3!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=-0.00799 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.213 K(o=-0.21,f=-2.6!) USER MOD Single : A 20 HIS : no HD1:sc= -5.9 K(o=-5.9,f=-11!) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.731 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -178:sc= -2.21 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -56:sc= -0.254 USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.892) USER MOD Single : A 60 CYS SG : rot 180:sc= -1.49 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.769 K(o=0.77,f=-0.066) USER MOD Single : A 67 THR OG1 : rot -176:sc= -0.874 USER MOD Single : A 69 SER OG : rot -32:sc= 0.732 USER MOD Single : A 73 HIS : no HD1:sc= -0.487 K(o=-0.49,f=-1.5) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.019 -7.298 25.330 1.00 0.00 N ATOM 2 CA GLY A 1 -11.824 -7.985 24.770 1.00 0.00 C ATOM 3 C GLY A 1 -12.195 -9.110 23.826 1.00 0.00 C ATOM 4 O GLY A 1 -11.845 -9.081 22.646 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.714 -6.537 25.969 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.582 -6.894 24.555 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.597 -7.982 25.858 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.206 -7.260 24.241 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.221 -8.383 25.586 1.00 0.00 H new ATOM 10 N SER A 2 -12.906 -10.103 24.347 1.00 0.00 N ATOM 11 CA SER A 2 -13.325 -11.244 23.544 1.00 0.00 C ATOM 12 C SER A 2 -14.701 -11.000 22.931 1.00 0.00 C ATOM 13 O SER A 2 -14.942 -11.333 21.772 1.00 0.00 O ATOM 14 CB SER A 2 -13.345 -12.515 24.398 1.00 0.00 C ATOM 15 OG SER A 2 -12.675 -13.580 23.743 1.00 0.00 O ATOM 0 H SER A 2 -13.204 -10.141 25.322 1.00 0.00 H new ATOM 0 HA SER A 2 -12.607 -11.374 22.734 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.870 -12.319 25.359 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.376 -12.802 24.605 1.00 0.00 H new ATOM 0 HG SER A 2 -12.700 -14.380 24.309 1.00 0.00 H new ATOM 21 N MET A 3 -15.599 -10.414 23.718 1.00 0.00 N ATOM 22 CA MET A 3 -16.950 -10.125 23.250 1.00 0.00 C ATOM 23 C MET A 3 -17.021 -8.748 22.590 1.00 0.00 C ATOM 24 O MET A 3 -15.994 -8.108 22.367 1.00 0.00 O ATOM 25 CB MET A 3 -17.942 -10.206 24.415 1.00 0.00 C ATOM 26 CG MET A 3 -19.026 -11.253 24.216 1.00 0.00 C ATOM 27 SD MET A 3 -20.094 -11.430 25.657 1.00 0.00 S ATOM 28 CE MET A 3 -21.335 -12.554 25.019 1.00 0.00 C ATOM 0 H MET A 3 -15.416 -10.131 24.681 1.00 0.00 H new ATOM 0 HA MET A 3 -17.217 -10.872 22.503 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.396 -10.429 25.332 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.410 -9.231 24.552 1.00 0.00 H new ATOM 0 HG2 MET A 3 -19.632 -10.983 23.351 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.561 -12.213 23.993 1.00 0.00 H new ATOM 0 HE1 MET A 3 -22.071 -12.762 25.796 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.831 -12.100 24.161 1.00 0.00 H new ATOM 0 HE3 MET A 3 -20.859 -13.485 24.712 1.00 0.00 H new ATOM 38 N ILE A 4 -18.244 -8.307 22.280 1.00 0.00 N ATOM 39 CA ILE A 4 -18.484 -7.008 21.641 1.00 0.00 C ATOM 40 C ILE A 4 -17.383 -6.642 20.641 1.00 0.00 C ATOM 41 O ILE A 4 -16.357 -6.070 21.005 1.00 0.00 O ATOM 42 CB ILE A 4 -18.636 -5.879 22.688 1.00 0.00 C ATOM 43 CG1 ILE A 4 -18.950 -4.543 22.004 1.00 0.00 C ATOM 44 CG2 ILE A 4 -17.388 -5.761 23.552 1.00 0.00 C ATOM 45 CD1 ILE A 4 -20.232 -3.900 22.491 1.00 0.00 C ATOM 0 H ILE A 4 -19.095 -8.839 22.464 1.00 0.00 H new ATOM 0 HA ILE A 4 -19.421 -7.108 21.092 1.00 0.00 H new ATOM 0 HB ILE A 4 -19.472 -6.136 23.339 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -18.122 -3.855 22.172 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -19.019 -4.702 20.928 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -17.523 -4.960 24.279 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -17.218 -6.702 24.076 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -16.528 -5.537 22.921 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -20.390 -2.959 21.964 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -21.071 -4.569 22.299 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -20.159 -3.708 23.562 1.00 0.00 H new ATOM 57 N HIS A 5 -17.610 -6.972 19.373 1.00 0.00 N ATOM 58 CA HIS A 5 -16.644 -6.678 18.319 1.00 0.00 C ATOM 59 C HIS A 5 -17.062 -5.437 17.532 1.00 0.00 C ATOM 60 O HIS A 5 -18.004 -5.481 16.741 1.00 0.00 O ATOM 61 CB HIS A 5 -16.510 -7.874 17.371 1.00 0.00 C ATOM 62 CG HIS A 5 -16.270 -9.175 18.073 1.00 0.00 C ATOM 63 ND1 HIS A 5 -15.022 -9.751 18.182 1.00 0.00 N ATOM 64 CD2 HIS A 5 -17.124 -10.015 18.702 1.00 0.00 C ATOM 65 CE1 HIS A 5 -15.117 -10.888 18.846 1.00 0.00 C ATOM 66 NE2 HIS A 5 -16.383 -11.072 19.174 1.00 0.00 N ATOM 0 H HIS A 5 -18.455 -7.443 19.050 1.00 0.00 H new ATOM 0 HA HIS A 5 -15.679 -6.485 18.788 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -17.418 -7.956 16.773 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -15.689 -7.688 16.679 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -18.190 -9.880 18.813 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.300 -11.554 19.081 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -16.751 -11.869 19.693 1.00 0.00 H new ATOM 74 N ARG A 6 -16.355 -4.333 17.754 1.00 0.00 N ATOM 75 CA ARG A 6 -16.655 -3.080 17.066 1.00 0.00 C ATOM 76 C ARG A 6 -15.386 -2.270 16.818 1.00 0.00 C ATOM 77 O ARG A 6 -15.418 -1.039 16.808 1.00 0.00 O ATOM 78 CB ARG A 6 -17.649 -2.252 17.883 1.00 0.00 C ATOM 79 CG ARG A 6 -18.742 -1.612 17.044 1.00 0.00 C ATOM 80 CD ARG A 6 -18.370 -0.201 16.624 1.00 0.00 C ATOM 81 NE ARG A 6 -19.501 0.504 16.026 1.00 0.00 N ATOM 82 CZ ARG A 6 -19.430 1.222 14.905 1.00 0.00 C ATOM 83 NH1 ARG A 6 -18.282 1.342 14.247 1.00 0.00 N ATOM 84 NH2 ARG A 6 -20.515 1.827 14.437 1.00 0.00 N ATOM 0 H ARG A 6 -15.571 -4.280 18.404 1.00 0.00 H new ATOM 0 HA ARG A 6 -17.099 -3.325 16.101 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.109 -2.891 18.637 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.107 -1.471 18.416 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.924 -2.220 16.158 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -19.672 -1.590 17.612 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -18.013 0.354 17.492 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -17.547 -0.239 15.910 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.404 0.443 16.497 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.442 0.882 14.598 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.240 1.894 13.390 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -21.401 1.742 14.935 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.463 2.377 13.579 1.00 0.00 H new ATOM 98 N MET A 7 -14.273 -2.966 16.621 1.00 0.00 N ATOM 99 CA MET A 7 -12.994 -2.310 16.374 1.00 0.00 C ATOM 100 C MET A 7 -12.442 -2.699 15.008 1.00 0.00 C ATOM 101 O MET A 7 -12.276 -3.881 14.710 1.00 0.00 O ATOM 102 CB MET A 7 -11.986 -2.682 17.462 1.00 0.00 C ATOM 103 CG MET A 7 -12.554 -2.617 18.871 1.00 0.00 C ATOM 104 SD MET A 7 -11.915 -3.922 19.939 1.00 0.00 S ATOM 105 CE MET A 7 -10.352 -3.208 20.447 1.00 0.00 C ATOM 0 H MET A 7 -14.230 -3.985 16.627 1.00 0.00 H new ATOM 0 HA MET A 7 -13.158 -1.233 16.392 1.00 0.00 H new ATOM 0 HB2 MET A 7 -11.618 -3.691 17.274 1.00 0.00 H new ATOM 0 HB3 MET A 7 -11.128 -2.013 17.394 1.00 0.00 H new ATOM 0 HG2 MET A 7 -12.319 -1.647 19.309 1.00 0.00 H new ATOM 0 HG3 MET A 7 -13.641 -2.691 18.824 1.00 0.00 H new ATOM 0 HE1 MET A 7 -9.836 -3.899 21.114 1.00 0.00 H new ATOM 0 HE2 MET A 7 -9.734 -3.022 19.568 1.00 0.00 H new ATOM 0 HE3 MET A 7 -10.534 -2.268 20.968 1.00 0.00 H new ATOM 115 N SER A 8 -12.159 -1.698 14.183 1.00 0.00 N ATOM 116 CA SER A 8 -11.626 -1.939 12.849 1.00 0.00 C ATOM 117 C SER A 8 -10.101 -1.945 12.861 1.00 0.00 C ATOM 118 O SER A 8 -9.474 -1.437 13.790 1.00 0.00 O ATOM 119 CB SER A 8 -12.136 -0.876 11.875 1.00 0.00 C ATOM 120 OG SER A 8 -12.307 0.372 12.525 1.00 0.00 O ATOM 0 H SER A 8 -12.290 -0.713 14.414 1.00 0.00 H new ATOM 0 HA SER A 8 -11.970 -2.920 12.521 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.432 -0.766 11.050 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.084 -1.198 11.444 1.00 0.00 H new ATOM 0 HG SER A 8 -12.632 1.035 11.880 1.00 0.00 H new ATOM 126 N ASN A 9 -9.512 -2.522 11.820 1.00 0.00 N ATOM 127 CA ASN A 9 -8.059 -2.593 11.706 1.00 0.00 C ATOM 128 C ASN A 9 -7.624 -2.666 10.245 1.00 0.00 C ATOM 129 O ASN A 9 -6.603 -2.094 9.865 1.00 0.00 O ATOM 130 CB ASN A 9 -7.518 -3.800 12.479 1.00 0.00 C ATOM 131 CG ASN A 9 -6.322 -3.442 13.341 1.00 0.00 C ATOM 132 OD1 ASN A 9 -5.992 -2.268 13.508 1.00 0.00 O ATOM 133 ND2 ASN A 9 -5.663 -4.454 13.894 1.00 0.00 N ATOM 0 H ASN A 9 -10.017 -2.947 11.043 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.645 -1.682 12.139 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.308 -4.209 13.109 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.235 -4.582 11.775 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.850 -4.272 14.483 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.970 -5.413 13.730 1.00 0.00 H new ATOM 140 N MET A 10 -8.402 -3.372 9.430 1.00 0.00 N ATOM 141 CA MET A 10 -8.091 -3.513 8.013 1.00 0.00 C ATOM 142 C MET A 10 -8.334 -2.204 7.266 1.00 0.00 C ATOM 143 O MET A 10 -9.443 -1.671 7.273 1.00 0.00 O ATOM 144 CB MET A 10 -8.936 -4.628 7.392 1.00 0.00 C ATOM 145 CG MET A 10 -8.915 -5.921 8.195 1.00 0.00 C ATOM 146 SD MET A 10 -8.360 -7.339 7.229 1.00 0.00 S ATOM 147 CE MET A 10 -9.300 -7.122 5.718 1.00 0.00 C ATOM 0 H MET A 10 -9.251 -3.854 9.727 1.00 0.00 H new ATOM 0 HA MET A 10 -7.036 -3.771 7.925 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.966 -4.284 7.298 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.574 -4.829 6.384 1.00 0.00 H new ATOM 0 HG2 MET A 10 -8.260 -5.797 9.057 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.915 -6.120 8.580 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.755 -8.071 5.433 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.081 -6.378 5.879 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.636 -6.785 4.922 1.00 0.00 H new ATOM 157 N ALA A 11 -7.291 -1.692 6.622 1.00 0.00 N ATOM 158 CA ALA A 11 -7.395 -0.446 5.869 1.00 0.00 C ATOM 159 C ALA A 11 -7.553 -0.720 4.377 1.00 0.00 C ATOM 160 O ALA A 11 -6.875 -1.585 3.821 1.00 0.00 O ATOM 161 CB ALA A 11 -6.178 0.428 6.120 1.00 0.00 C ATOM 0 H ALA A 11 -6.365 -2.119 6.606 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.284 0.083 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.271 1.353 5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.110 0.661 7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.279 -0.102 5.806 1.00 0.00 H new ATOM 167 N THR A 12 -8.453 0.019 3.737 1.00 0.00 N ATOM 168 CA THR A 12 -8.704 -0.148 2.310 1.00 0.00 C ATOM 169 C THR A 12 -8.531 1.170 1.559 1.00 0.00 C ATOM 170 O THR A 12 -9.019 2.214 1.995 1.00 0.00 O ATOM 171 CB THR A 12 -10.115 -0.695 2.081 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.886 -0.603 3.267 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.134 -2.139 1.635 1.00 0.00 C ATOM 0 H THR A 12 -9.021 0.739 4.184 1.00 0.00 H new ATOM 0 HA THR A 12 -7.974 -0.859 1.924 1.00 0.00 H new ATOM 0 HB THR A 12 -10.536 -0.081 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.785 -0.956 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.165 -2.462 1.491 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.589 -2.237 0.696 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.662 -2.761 2.395 1.00 0.00 H new ATOM 181 N PHE A 13 -7.847 1.107 0.424 1.00 0.00 N ATOM 182 CA PHE A 13 -7.619 2.286 -0.405 1.00 0.00 C ATOM 183 C PHE A 13 -8.584 2.297 -1.587 1.00 0.00 C ATOM 184 O PHE A 13 -8.323 1.669 -2.613 1.00 0.00 O ATOM 185 CB PHE A 13 -6.173 2.305 -0.917 1.00 0.00 C ATOM 186 CG PHE A 13 -5.778 3.575 -1.632 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.489 4.033 -2.734 1.00 0.00 C ATOM 188 CD2 PHE A 13 -4.685 4.306 -1.202 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.117 5.191 -3.386 1.00 0.00 C ATOM 190 CE2 PHE A 13 -4.308 5.465 -1.850 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.025 5.909 -2.943 1.00 0.00 C ATOM 0 H PHE A 13 -7.438 0.249 0.054 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.792 3.174 0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.500 2.154 -0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.029 1.463 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.345 3.475 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.119 3.965 -0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.680 5.535 -4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.452 6.024 -1.502 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.732 6.816 -3.450 1.00 0.00 H new ATOM 201 N SER A 14 -9.697 3.005 -1.441 1.00 0.00 N ATOM 202 CA SER A 14 -10.686 3.086 -2.509 1.00 0.00 C ATOM 203 C SER A 14 -10.179 3.970 -3.643 1.00 0.00 C ATOM 204 O SER A 14 -10.042 5.182 -3.485 1.00 0.00 O ATOM 205 CB SER A 14 -12.012 3.632 -1.975 1.00 0.00 C ATOM 206 OG SER A 14 -13.106 2.874 -2.461 1.00 0.00 O ATOM 0 H SER A 14 -9.937 3.528 -0.599 1.00 0.00 H new ATOM 0 HA SER A 14 -10.851 2.080 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.006 3.611 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.126 4.674 -2.273 1.00 0.00 H new ATOM 0 HG SER A 14 -13.942 3.241 -2.105 1.00 0.00 H new ATOM 212 N LEU A 15 -9.897 3.353 -4.783 1.00 0.00 N ATOM 213 CA LEU A 15 -9.402 4.083 -5.941 1.00 0.00 C ATOM 214 C LEU A 15 -10.550 4.721 -6.718 1.00 0.00 C ATOM 215 O LEU A 15 -10.399 5.801 -7.289 1.00 0.00 O ATOM 216 CB LEU A 15 -8.598 3.153 -6.853 1.00 0.00 C ATOM 217 CG LEU A 15 -7.118 3.509 -6.986 1.00 0.00 C ATOM 218 CD1 LEU A 15 -6.414 2.527 -7.908 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.958 4.934 -7.496 1.00 0.00 C ATOM 0 H LEU A 15 -10.003 2.349 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.749 4.879 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.680 2.135 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.050 3.160 -7.845 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.657 3.443 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.361 2.796 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.500 1.520 -7.501 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.875 2.560 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.898 5.172 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.434 5.027 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.427 5.626 -6.796 1.00 0.00 H new ATOM 231 N GLY A 16 -11.696 4.049 -6.736 1.00 0.00 N ATOM 232 CA GLY A 16 -12.849 4.570 -7.446 1.00 0.00 C ATOM 233 C GLY A 16 -13.003 3.972 -8.832 1.00 0.00 C ATOM 234 O GLY A 16 -13.884 3.144 -9.064 1.00 0.00 O ATOM 0 H GLY A 16 -11.847 3.153 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.749 4.368 -6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.760 5.653 -7.530 1.00 0.00 H new ATOM 238 N LYS A 17 -12.145 4.395 -9.756 1.00 0.00 N ATOM 239 CA LYS A 17 -12.192 3.899 -11.126 1.00 0.00 C ATOM 240 C LYS A 17 -11.031 4.460 -11.948 1.00 0.00 C ATOM 241 O LYS A 17 -11.227 5.020 -13.026 1.00 0.00 O ATOM 242 CB LYS A 17 -13.530 4.265 -11.776 1.00 0.00 C ATOM 243 CG LYS A 17 -14.345 3.057 -12.208 1.00 0.00 C ATOM 244 CD LYS A 17 -14.916 3.236 -13.608 1.00 0.00 C ATOM 245 CE LYS A 17 -16.431 3.366 -13.581 1.00 0.00 C ATOM 246 NZ LYS A 17 -16.944 4.161 -14.731 1.00 0.00 N ATOM 0 H LYS A 17 -11.410 5.080 -9.580 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.098 2.813 -11.101 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.117 4.856 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.342 4.896 -12.645 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.718 2.166 -12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -15.159 2.895 -11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.482 4.124 -14.068 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.634 2.385 -14.228 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.880 2.373 -13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.738 3.839 -12.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.980 4.225 -14.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.536 5.117 -14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.674 3.697 -15.622 1.00 0.00 H new ATOM 260 N HIS A 18 -9.820 4.304 -11.425 1.00 0.00 N ATOM 261 CA HIS A 18 -8.624 4.792 -12.100 1.00 0.00 C ATOM 262 C HIS A 18 -7.797 3.628 -12.638 1.00 0.00 C ATOM 263 O HIS A 18 -8.028 2.476 -12.270 1.00 0.00 O ATOM 264 CB HIS A 18 -7.787 5.631 -11.131 1.00 0.00 C ATOM 265 CG HIS A 18 -8.502 6.842 -10.618 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.469 7.229 -9.295 1.00 0.00 N ATOM 267 CD2 HIS A 18 -9.274 7.755 -11.255 1.00 0.00 C ATOM 268 CE1 HIS A 18 -9.189 8.325 -9.139 1.00 0.00 C ATOM 269 NE2 HIS A 18 -9.687 8.666 -10.313 1.00 0.00 N ATOM 0 H HIS A 18 -9.641 3.842 -10.533 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.928 5.414 -12.942 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.491 5.009 -10.286 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.871 5.945 -11.632 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.519 7.765 -12.307 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.344 8.852 -8.209 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.282 9.475 -10.492 1.00 0.00 H new ATOM 277 N PRO A 19 -6.812 3.905 -13.514 1.00 0.00 N ATOM 278 CA PRO A 19 -5.956 2.862 -14.086 1.00 0.00 C ATOM 279 C PRO A 19 -5.227 2.073 -13.007 1.00 0.00 C ATOM 280 O PRO A 19 -5.125 0.849 -13.083 1.00 0.00 O ATOM 281 CB PRO A 19 -4.954 3.642 -14.949 1.00 0.00 C ATOM 282 CG PRO A 19 -5.029 5.047 -14.456 1.00 0.00 C ATOM 283 CD PRO A 19 -6.447 5.243 -14.012 1.00 0.00 C ATOM 0 HA PRO A 19 -6.530 2.126 -14.649 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.946 3.240 -14.843 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.212 3.581 -16.006 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.334 5.211 -13.632 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.763 5.753 -15.243 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.527 6.002 -13.234 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.090 5.560 -14.834 1.00 0.00 H new ATOM 291 N HIS A 20 -4.738 2.790 -11.996 1.00 0.00 N ATOM 292 CA HIS A 20 -4.022 2.192 -10.868 1.00 0.00 C ATOM 293 C HIS A 20 -3.292 3.270 -10.075 1.00 0.00 C ATOM 294 O HIS A 20 -3.576 4.458 -10.234 1.00 0.00 O ATOM 295 CB HIS A 20 -3.042 1.108 -11.333 1.00 0.00 C ATOM 296 CG HIS A 20 -1.875 1.641 -12.085 1.00 0.00 C ATOM 297 ND1 HIS A 20 -0.957 2.489 -11.521 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.470 1.440 -13.360 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.037 2.790 -12.407 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.321 2.167 -13.535 1.00 0.00 N ATOM 0 H HIS A 20 -4.827 3.804 -11.935 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.757 1.714 -10.221 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.682 0.558 -10.463 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.574 0.395 -11.963 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.959 0.824 -14.100 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.810 3.439 -12.241 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.224 2.218 -14.395 1.00 0.00 H new ATOM 308 N VAL A 21 -2.358 2.864 -9.223 1.00 0.00 N ATOM 309 CA VAL A 21 -1.607 3.824 -8.417 1.00 0.00 C ATOM 310 C VAL A 21 -0.154 3.420 -8.248 1.00 0.00 C ATOM 311 O VAL A 21 0.199 2.246 -8.344 1.00 0.00 O ATOM 312 CB VAL A 21 -2.206 3.992 -7.011 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.577 4.647 -7.076 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.274 2.654 -6.294 1.00 0.00 C ATOM 0 H VAL A 21 -2.103 1.888 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.669 4.764 -8.965 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.551 4.650 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.977 4.754 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.489 5.631 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.249 4.027 -7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.701 2.795 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.900 1.967 -6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.270 2.239 -6.202 1.00 0.00 H new ATOM 324 N GLU A 22 0.679 4.413 -7.967 1.00 0.00 N ATOM 325 CA GLU A 22 2.091 4.191 -7.750 1.00 0.00 C ATOM 326 C GLU A 22 2.354 3.985 -6.266 1.00 0.00 C ATOM 327 O GLU A 22 1.715 4.616 -5.427 1.00 0.00 O ATOM 328 CB GLU A 22 2.889 5.388 -8.264 1.00 0.00 C ATOM 329 CG GLU A 22 3.270 5.287 -9.730 1.00 0.00 C ATOM 330 CD GLU A 22 4.402 6.225 -10.106 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.225 7.453 -9.966 1.00 0.00 O ATOM 332 OE2 GLU A 22 5.466 5.732 -10.538 1.00 0.00 O ATOM 0 H GLU A 22 0.391 5.388 -7.885 1.00 0.00 H new ATOM 0 HA GLU A 22 2.404 3.300 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.304 6.295 -8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.796 5.490 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.563 4.262 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.398 5.512 -10.344 1.00 0.00 H new ATOM 339 N LEU A 23 3.283 3.091 -5.941 1.00 0.00 N ATOM 340 CA LEU A 23 3.616 2.802 -4.545 1.00 0.00 C ATOM 341 C LEU A 23 3.640 4.079 -3.708 1.00 0.00 C ATOM 342 O LEU A 23 3.179 4.092 -2.570 1.00 0.00 O ATOM 343 CB LEU A 23 4.967 2.091 -4.439 1.00 0.00 C ATOM 344 CG LEU A 23 5.926 2.317 -5.612 1.00 0.00 C ATOM 345 CD1 LEU A 23 7.313 2.674 -5.108 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.976 1.083 -6.498 1.00 0.00 C ATOM 0 H LEU A 23 3.819 2.554 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 23 2.839 2.143 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.459 2.418 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.788 1.020 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 23 5.556 3.153 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.979 2.831 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.261 3.587 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.696 1.861 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.661 1.258 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.323 0.230 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.980 0.875 -6.888 1.00 0.00 H new ATOM 358 N CYS A 24 4.177 5.151 -4.283 1.00 0.00 N ATOM 359 CA CYS A 24 4.256 6.430 -3.590 1.00 0.00 C ATOM 360 C CYS A 24 2.864 7.019 -3.364 1.00 0.00 C ATOM 361 O CYS A 24 2.580 7.573 -2.302 1.00 0.00 O ATOM 362 CB CYS A 24 5.118 7.406 -4.394 1.00 0.00 C ATOM 363 SG CYS A 24 5.307 9.031 -3.626 1.00 0.00 S ATOM 0 H CYS A 24 4.563 5.158 -5.227 1.00 0.00 H new ATOM 0 HA CYS A 24 4.715 6.264 -2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.105 6.968 -4.538 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.678 7.533 -5.383 1.00 0.00 H new ATOM 0 HG CYS A 24 6.053 9.783 -4.380 1.00 0.00 H new ATOM 369 N ASP A 25 2.001 6.889 -4.365 1.00 0.00 N ATOM 370 CA ASP A 25 0.637 7.400 -4.277 1.00 0.00 C ATOM 371 C ASP A 25 -0.159 6.656 -3.206 1.00 0.00 C ATOM 372 O ASP A 25 -0.688 7.266 -2.276 1.00 0.00 O ATOM 373 CB ASP A 25 -0.065 7.267 -5.630 1.00 0.00 C ATOM 374 CG ASP A 25 0.686 7.968 -6.746 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.933 7.996 -6.698 1.00 0.00 O ATOM 376 OD2 ASP A 25 0.025 8.488 -7.670 1.00 0.00 O ATOM 0 H ASP A 25 2.222 6.433 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 25 0.688 8.453 -3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.173 6.211 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.070 7.682 -5.556 1.00 0.00 H new ATOM 381 N LEU A 26 -0.242 5.335 -3.346 1.00 0.00 N ATOM 382 CA LEU A 26 -0.977 4.507 -2.395 1.00 0.00 C ATOM 383 C LEU A 26 -0.450 4.688 -0.974 1.00 0.00 C ATOM 384 O LEU A 26 -1.223 4.873 -0.037 1.00 0.00 O ATOM 385 CB LEU A 26 -0.893 3.031 -2.795 1.00 0.00 C ATOM 386 CG LEU A 26 -1.998 2.141 -2.223 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.303 2.357 -2.976 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.584 0.677 -2.272 1.00 0.00 C ATOM 0 H LEU A 26 0.191 4.815 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.019 4.827 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.919 2.963 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.072 2.638 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.156 2.417 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.077 1.715 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.607 3.400 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.161 2.111 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.382 0.059 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.396 0.386 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.677 0.536 -1.685 1.00 0.00 H new ATOM 400 N LEU A 27 0.869 4.626 -0.820 1.00 0.00 N ATOM 401 CA LEU A 27 1.499 4.772 0.489 1.00 0.00 C ATOM 402 C LEU A 27 1.237 6.151 1.094 1.00 0.00 C ATOM 403 O LEU A 27 0.708 6.264 2.200 1.00 0.00 O ATOM 404 CB LEU A 27 3.009 4.539 0.374 1.00 0.00 C ATOM 405 CG LEU A 27 3.471 3.101 0.625 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.550 2.104 -0.065 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.903 2.912 0.156 1.00 0.00 C ATOM 0 H LEU A 27 1.524 4.475 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 27 1.060 4.025 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.331 4.837 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.516 5.195 1.082 1.00 0.00 H new ATOM 0 HG LEU A 27 3.429 2.916 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.900 1.090 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.537 2.218 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.553 2.289 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.214 1.884 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.967 3.123 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.557 3.593 0.700 1.00 0.00 H new ATOM 419 N LYS A 28 1.625 7.192 0.367 1.00 0.00 N ATOM 420 CA LYS A 28 1.450 8.568 0.831 1.00 0.00 C ATOM 421 C LYS A 28 0.018 8.838 1.291 1.00 0.00 C ATOM 422 O LYS A 28 -0.213 9.227 2.435 1.00 0.00 O ATOM 423 CB LYS A 28 1.832 9.549 -0.276 1.00 0.00 C ATOM 424 CG LYS A 28 2.103 10.957 0.224 1.00 0.00 C ATOM 425 CD LYS A 28 1.758 12.000 -0.830 1.00 0.00 C ATOM 426 CE LYS A 28 0.294 12.410 -0.757 1.00 0.00 C ATOM 427 NZ LYS A 28 0.131 13.891 -0.688 1.00 0.00 N ATOM 0 H LYS A 28 2.065 7.111 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 28 2.107 8.709 1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.720 9.178 -0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.029 9.583 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.519 11.143 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.153 11.050 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.389 12.878 -0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.976 11.602 -1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.234 12.028 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.167 11.953 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.881 14.127 -0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.612 14.254 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.548 14.326 -1.536 1.00 0.00 H new ATOM 441 N LEU A 29 -0.936 8.654 0.387 1.00 0.00 N ATOM 442 CA LEU A 29 -2.341 8.898 0.695 1.00 0.00 C ATOM 443 C LEU A 29 -2.806 8.070 1.892 1.00 0.00 C ATOM 444 O LEU A 29 -3.498 8.579 2.775 1.00 0.00 O ATOM 445 CB LEU A 29 -3.208 8.605 -0.529 1.00 0.00 C ATOM 446 CG LEU A 29 -3.285 9.742 -1.550 1.00 0.00 C ATOM 447 CD1 LEU A 29 -4.136 9.331 -2.742 1.00 0.00 C ATOM 448 CD2 LEU A 29 -3.836 11.006 -0.906 1.00 0.00 C ATOM 0 H LEU A 29 -0.763 8.336 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.448 9.949 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.821 7.715 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.218 8.369 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.276 9.954 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.180 10.152 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.695 8.456 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.144 9.090 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.883 11.802 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.836 10.811 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.184 11.311 -0.087 1.00 0.00 H new ATOM 460 N GLU A 30 -2.426 6.797 1.925 1.00 0.00 N ATOM 461 CA GLU A 30 -2.814 5.923 3.026 1.00 0.00 C ATOM 462 C GLU A 30 -2.132 6.340 4.328 1.00 0.00 C ATOM 463 O GLU A 30 -2.538 5.914 5.410 1.00 0.00 O ATOM 464 CB GLU A 30 -2.472 4.467 2.714 1.00 0.00 C ATOM 465 CG GLU A 30 -3.638 3.678 2.142 1.00 0.00 C ATOM 466 CD GLU A 30 -4.696 3.359 3.179 1.00 0.00 C ATOM 467 OE1 GLU A 30 -4.328 3.035 4.328 1.00 0.00 O ATOM 468 OE2 GLU A 30 -5.896 3.435 2.840 1.00 0.00 O ATOM 0 H GLU A 30 -1.854 6.350 1.208 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.893 6.016 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.644 4.441 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.127 3.980 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.091 4.246 1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.266 2.748 1.712 1.00 0.00 H new ATOM 475 N GLY A 31 -1.102 7.177 4.224 1.00 0.00 N ATOM 476 CA GLY A 31 -0.403 7.630 5.411 1.00 0.00 C ATOM 477 C GLY A 31 0.805 6.776 5.757 1.00 0.00 C ATOM 478 O GLY A 31 1.250 6.768 6.906 1.00 0.00 O ATOM 0 H GLY A 31 -0.742 7.547 3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.081 8.661 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.094 7.629 6.254 1.00 0.00 H new ATOM 482 N TRP A 32 1.349 6.067 4.772 1.00 0.00 N ATOM 483 CA TRP A 32 2.520 5.228 5.007 1.00 0.00 C ATOM 484 C TRP A 32 3.734 6.108 5.287 1.00 0.00 C ATOM 485 O TRP A 32 4.285 6.093 6.388 1.00 0.00 O ATOM 486 CB TRP A 32 2.789 4.314 3.805 1.00 0.00 C ATOM 487 CG TRP A 32 1.678 3.337 3.530 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.338 3.607 3.515 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.807 1.937 3.225 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.369 2.466 3.224 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.505 1.435 3.041 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.888 1.055 3.087 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.256 0.106 2.731 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.630 -0.270 2.776 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.324 -0.729 2.601 1.00 0.00 C ATOM 0 H TRP A 32 1.002 6.056 3.813 1.00 0.00 H new ATOM 0 HA TRP A 32 2.328 4.595 5.873 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.948 4.930 2.920 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.712 3.762 3.979 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.101 4.576 3.704 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.385 2.400 3.156 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.902 1.402 3.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.753 -0.255 2.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.454 -0.960 2.667 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.157 -1.768 2.357 1.00 0.00 H new ATOM 506 N SER A 33 4.129 6.893 4.290 1.00 0.00 N ATOM 507 CA SER A 33 5.260 7.802 4.433 1.00 0.00 C ATOM 508 C SER A 33 4.764 9.240 4.536 1.00 0.00 C ATOM 509 O SER A 33 3.693 9.570 4.026 1.00 0.00 O ATOM 510 CB SER A 33 6.215 7.662 3.248 1.00 0.00 C ATOM 511 OG SER A 33 7.563 7.792 3.664 1.00 0.00 O ATOM 0 H SER A 33 3.682 6.918 3.374 1.00 0.00 H new ATOM 0 HA SER A 33 5.799 7.544 5.345 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.070 6.692 2.772 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.987 8.422 2.501 1.00 0.00 H new ATOM 0 HG SER A 33 8.153 7.729 2.884 1.00 0.00 H new ATOM 517 N GLU A 34 5.535 10.092 5.203 1.00 0.00 N ATOM 518 CA GLU A 34 5.142 11.488 5.367 1.00 0.00 C ATOM 519 C GLU A 34 5.230 12.247 4.046 1.00 0.00 C ATOM 520 O GLU A 34 4.419 13.131 3.774 1.00 0.00 O ATOM 521 CB GLU A 34 6.028 12.170 6.411 1.00 0.00 C ATOM 522 CG GLU A 34 7.514 12.089 6.095 1.00 0.00 C ATOM 523 CD GLU A 34 8.380 12.574 7.242 1.00 0.00 C ATOM 524 OE1 GLU A 34 8.015 12.321 8.409 1.00 0.00 O ATOM 525 OE2 GLU A 34 9.424 13.205 6.972 1.00 0.00 O ATOM 0 H GLU A 34 6.426 9.845 5.635 1.00 0.00 H new ATOM 0 HA GLU A 34 4.106 11.503 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.739 13.218 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.846 11.713 7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.776 11.058 5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.726 12.684 5.207 1.00 0.00 H new ATOM 532 N SER A 35 6.209 11.888 3.225 1.00 0.00 N ATOM 533 CA SER A 35 6.390 12.525 1.926 1.00 0.00 C ATOM 534 C SER A 35 5.947 11.593 0.807 1.00 0.00 C ATOM 535 O SER A 35 5.084 11.935 -0.001 1.00 0.00 O ATOM 536 CB SER A 35 7.852 12.928 1.726 1.00 0.00 C ATOM 537 OG SER A 35 8.690 12.256 2.644 1.00 0.00 O ATOM 0 H SER A 35 6.890 11.159 3.436 1.00 0.00 H new ATOM 0 HA SER A 35 5.772 13.423 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.162 12.695 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.957 14.005 1.853 1.00 0.00 H new ATOM 0 HG SER A 35 9.036 12.896 3.300 1.00 0.00 H new ATOM 543 N GLY A 36 6.556 10.412 0.768 1.00 0.00 N ATOM 544 CA GLY A 36 6.233 9.433 -0.251 1.00 0.00 C ATOM 545 C GLY A 36 7.402 8.512 -0.544 1.00 0.00 C ATOM 546 O GLY A 36 7.217 7.333 -0.843 1.00 0.00 O ATOM 0 H GLY A 36 7.273 10.115 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.377 8.841 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.937 9.946 -1.166 1.00 0.00 H new ATOM 550 N ALA A 37 8.612 9.058 -0.453 1.00 0.00 N ATOM 551 CA ALA A 37 9.824 8.287 -0.704 1.00 0.00 C ATOM 552 C ALA A 37 10.973 8.714 0.215 1.00 0.00 C ATOM 553 O ALA A 37 12.106 8.266 0.047 1.00 0.00 O ATOM 554 CB ALA A 37 10.236 8.422 -2.162 1.00 0.00 C ATOM 0 H ALA A 37 8.778 10.034 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 37 9.603 7.242 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.142 7.843 -2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.436 8.050 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.425 9.471 -2.391 1.00 0.00 H new ATOM 560 N GLN A 38 10.679 9.582 1.187 1.00 0.00 N ATOM 561 CA GLN A 38 11.698 10.060 2.121 1.00 0.00 C ATOM 562 C GLN A 38 12.406 8.892 2.798 1.00 0.00 C ATOM 563 O GLN A 38 13.574 8.620 2.522 1.00 0.00 O ATOM 564 CB GLN A 38 11.066 10.977 3.170 1.00 0.00 C ATOM 565 CG GLN A 38 12.049 11.487 4.213 1.00 0.00 C ATOM 566 CD GLN A 38 12.356 12.965 4.053 1.00 0.00 C ATOM 567 OE1 GLN A 38 11.846 13.621 3.144 1.00 0.00 O ATOM 568 NE2 GLN A 38 13.193 13.498 4.937 1.00 0.00 N ATOM 0 H GLN A 38 9.747 9.966 1.346 1.00 0.00 H new ATOM 0 HA GLN A 38 12.439 10.627 1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.610 11.830 2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.263 10.438 3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.641 11.310 5.208 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.976 10.918 4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.593 12.918 5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.435 14.487 4.878 1.00 0.00 H new ATOM 577 N ALA A 39 11.692 8.197 3.677 1.00 0.00 N ATOM 578 CA ALA A 39 12.253 7.050 4.384 1.00 0.00 C ATOM 579 C ALA A 39 12.411 5.841 3.459 1.00 0.00 C ATOM 580 O ALA A 39 12.588 4.716 3.926 1.00 0.00 O ATOM 581 CB ALA A 39 11.373 6.688 5.569 1.00 0.00 C ATOM 0 H ALA A 39 10.723 8.408 3.917 1.00 0.00 H new ATOM 0 HA ALA A 39 13.245 7.329 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.799 5.831 6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.315 7.536 6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.373 6.437 5.216 1.00 0.00 H new ATOM 587 N LYS A 40 12.336 6.073 2.146 1.00 0.00 N ATOM 588 CA LYS A 40 12.458 4.999 1.166 1.00 0.00 C ATOM 589 C LYS A 40 11.246 4.078 1.222 1.00 0.00 C ATOM 590 O LYS A 40 11.276 2.968 0.696 1.00 0.00 O ATOM 591 CB LYS A 40 13.737 4.189 1.402 1.00 0.00 C ATOM 592 CG LYS A 40 14.985 5.046 1.546 1.00 0.00 C ATOM 593 CD LYS A 40 15.628 4.875 2.915 1.00 0.00 C ATOM 594 CE LYS A 40 16.513 6.058 3.270 1.00 0.00 C ATOM 595 NZ LYS A 40 17.768 6.074 2.471 1.00 0.00 N ATOM 0 H LYS A 40 12.191 6.997 1.740 1.00 0.00 H new ATOM 0 HA LYS A 40 12.509 5.454 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.614 3.587 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.876 3.496 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.702 4.778 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.727 6.094 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.851 4.762 3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.220 3.960 2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.964 6.985 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.759 6.021 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.343 6.897 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.305 5.202 2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.535 6.135 1.459 1.00 0.00 H new ATOM 609 N ILE A 41 10.174 4.550 1.855 1.00 0.00 N ATOM 610 CA ILE A 41 8.949 3.769 1.978 1.00 0.00 C ATOM 611 C ILE A 41 8.424 3.344 0.612 1.00 0.00 C ATOM 612 O ILE A 41 7.728 2.337 0.488 1.00 0.00 O ATOM 613 CB ILE A 41 7.843 4.559 2.708 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.389 5.223 3.976 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.672 3.646 3.044 1.00 0.00 C ATOM 616 CD1 ILE A 41 9.036 4.259 4.946 1.00 0.00 C ATOM 0 H ILE A 41 10.131 5.471 2.291 1.00 0.00 H new ATOM 0 HA ILE A 41 9.203 2.885 2.562 1.00 0.00 H new ATOM 0 HB ILE A 41 7.490 5.346 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.119 5.981 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.574 5.740 4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.900 4.218 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.261 3.228 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.015 2.837 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.397 4.806 5.817 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.305 3.515 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.874 3.760 4.459 1.00 0.00 H new ATOM 628 N ALA A 42 8.753 4.123 -0.408 1.00 0.00 N ATOM 629 CA ALA A 42 8.307 3.832 -1.761 1.00 0.00 C ATOM 630 C ALA A 42 9.016 2.603 -2.330 1.00 0.00 C ATOM 631 O ALA A 42 8.455 1.504 -2.353 1.00 0.00 O ATOM 632 CB ALA A 42 8.512 5.048 -2.657 1.00 0.00 C ATOM 0 H ALA A 42 9.327 4.962 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 42 7.242 3.604 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.174 4.817 -3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.939 5.889 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.570 5.309 -2.679 1.00 0.00 H new ATOM 638 N ILE A 43 10.249 2.790 -2.791 1.00 0.00 N ATOM 639 CA ILE A 43 11.023 1.696 -3.366 1.00 0.00 C ATOM 640 C ILE A 43 10.990 0.452 -2.477 1.00 0.00 C ATOM 641 O ILE A 43 10.832 -0.669 -2.969 1.00 0.00 O ATOM 642 CB ILE A 43 12.486 2.111 -3.615 1.00 0.00 C ATOM 643 CG1 ILE A 43 12.552 3.479 -4.310 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.201 1.055 -4.445 1.00 0.00 C ATOM 645 CD1 ILE A 43 11.530 3.662 -5.417 1.00 0.00 C ATOM 0 H ILE A 43 10.733 3.688 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 43 10.557 1.454 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 43 12.989 2.195 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.408 4.261 -3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.550 3.615 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.233 1.362 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.187 0.103 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.695 0.942 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.643 4.653 -5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.686 2.905 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.526 3.560 -5.006 1.00 0.00 H new ATOM 657 N ALA A 44 11.129 0.651 -1.167 1.00 0.00 N ATOM 658 CA ALA A 44 11.100 -0.467 -0.229 1.00 0.00 C ATOM 659 C ALA A 44 9.789 -1.234 -0.353 1.00 0.00 C ATOM 660 O ALA A 44 9.784 -2.404 -0.735 1.00 0.00 O ATOM 661 CB ALA A 44 11.304 0.015 1.200 1.00 0.00 C ATOM 0 H ALA A 44 11.261 1.566 -0.736 1.00 0.00 H new ATOM 0 HA ALA A 44 11.920 -1.140 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.278 -0.837 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.270 0.514 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.511 0.714 1.465 1.00 0.00 H new ATOM 667 N GLU A 45 8.676 -0.565 -0.027 1.00 0.00 N ATOM 668 CA GLU A 45 7.351 -1.185 -0.104 1.00 0.00 C ATOM 669 C GLU A 45 7.269 -2.135 -1.292 1.00 0.00 C ATOM 670 O GLU A 45 6.726 -3.235 -1.185 1.00 0.00 O ATOM 671 CB GLU A 45 6.260 -0.120 -0.211 1.00 0.00 C ATOM 672 CG GLU A 45 4.852 -0.683 -0.103 1.00 0.00 C ATOM 673 CD GLU A 45 4.130 -0.718 -1.436 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.931 0.361 -2.034 1.00 0.00 O ATOM 675 OE2 GLU A 45 3.765 -1.825 -1.882 1.00 0.00 O ATOM 0 H GLU A 45 8.668 0.404 0.292 1.00 0.00 H new ATOM 0 HA GLU A 45 7.194 -1.755 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.408 0.621 0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.363 0.400 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.899 -1.692 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.278 -0.081 0.601 1.00 0.00 H new ATOM 682 N GLY A 46 7.846 -1.717 -2.415 1.00 0.00 N ATOM 683 CA GLY A 46 7.859 -2.567 -3.589 1.00 0.00 C ATOM 684 C GLY A 46 8.579 -3.869 -3.298 1.00 0.00 C ATOM 685 O GLY A 46 7.951 -4.915 -3.137 1.00 0.00 O ATOM 0 H GLY A 46 8.301 -0.812 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.837 -2.774 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.350 -2.050 -4.413 1.00 0.00 H new ATOM 689 N GLN A 47 9.909 -3.796 -3.232 1.00 0.00 N ATOM 690 CA GLN A 47 10.748 -4.969 -2.956 1.00 0.00 C ATOM 691 C GLN A 47 10.224 -5.804 -1.777 1.00 0.00 C ATOM 692 O GLN A 47 10.680 -6.927 -1.565 1.00 0.00 O ATOM 693 CB GLN A 47 12.188 -4.531 -2.673 1.00 0.00 C ATOM 694 CG GLN A 47 13.117 -4.677 -3.869 1.00 0.00 C ATOM 695 CD GLN A 47 14.431 -5.341 -3.513 1.00 0.00 C ATOM 696 OE1 GLN A 47 14.792 -6.370 -4.084 1.00 0.00 O ATOM 697 NE2 GLN A 47 15.156 -4.754 -2.571 1.00 0.00 N ATOM 0 H GLN A 47 10.434 -2.932 -3.367 1.00 0.00 H new ATOM 0 HA GLN A 47 10.716 -5.599 -3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.185 -3.490 -2.351 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.581 -5.120 -1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.618 -5.261 -4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.315 -3.692 -4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.818 -3.902 -2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 47 16.052 -5.155 -2.293 1.00 0.00 H new ATOM 706 N VAL A 48 9.280 -5.262 -1.009 1.00 0.00 N ATOM 707 CA VAL A 48 8.736 -5.984 0.134 1.00 0.00 C ATOM 708 C VAL A 48 7.779 -7.092 -0.318 1.00 0.00 C ATOM 709 O VAL A 48 8.214 -8.222 -0.524 1.00 0.00 O ATOM 710 CB VAL A 48 8.022 -5.045 1.126 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.481 -5.835 2.312 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.970 -3.951 1.596 1.00 0.00 C ATOM 0 H VAL A 48 8.881 -4.335 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 48 9.583 -6.436 0.650 1.00 0.00 H new ATOM 0 HB VAL A 48 7.181 -4.575 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.980 -5.157 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.771 -6.582 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.305 -6.332 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.451 -3.296 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.830 -4.403 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.309 -3.370 0.738 1.00 0.00 H new ATOM 722 N LYS A 49 6.486 -6.788 -0.468 1.00 0.00 N ATOM 723 CA LYS A 49 5.525 -7.811 -0.895 1.00 0.00 C ATOM 724 C LYS A 49 4.183 -7.202 -1.299 1.00 0.00 C ATOM 725 O LYS A 49 3.717 -6.243 -0.685 1.00 0.00 O ATOM 726 CB LYS A 49 5.302 -8.824 0.234 1.00 0.00 C ATOM 727 CG LYS A 49 6.052 -10.135 0.048 1.00 0.00 C ATOM 728 CD LYS A 49 5.409 -11.005 -1.018 1.00 0.00 C ATOM 729 CE LYS A 49 4.323 -11.890 -0.431 1.00 0.00 C ATOM 730 NZ LYS A 49 3.639 -12.698 -1.477 1.00 0.00 N ATOM 0 H LYS A 49 6.087 -5.864 -0.305 1.00 0.00 H new ATOM 0 HA LYS A 49 5.947 -8.309 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.608 -8.373 1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.236 -9.036 0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.086 -9.927 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.077 -10.677 0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.983 -10.373 -1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.170 -11.626 -1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.760 -12.555 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.590 -11.271 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.905 -13.288 -1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.200 -12.063 -2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.333 -13.308 -1.954 1.00 0.00 H new ATOM 744 N VAL A 50 3.546 -7.793 -2.312 1.00 0.00 N ATOM 745 CA VAL A 50 2.244 -7.337 -2.762 1.00 0.00 C ATOM 746 C VAL A 50 1.320 -8.539 -2.877 1.00 0.00 C ATOM 747 O VAL A 50 1.770 -9.639 -3.191 1.00 0.00 O ATOM 748 CB VAL A 50 2.315 -6.601 -4.117 1.00 0.00 C ATOM 749 CG1 VAL A 50 0.996 -5.912 -4.423 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.456 -5.595 -4.122 1.00 0.00 C ATOM 0 H VAL A 50 3.917 -8.588 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 50 1.863 -6.624 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 50 2.505 -7.339 -4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.067 -5.399 -5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.199 -6.655 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.774 -5.187 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.489 -5.087 -5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.298 -4.862 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.399 -6.114 -3.953 1.00 0.00 H new ATOM 760 N ASP A 51 0.044 -8.338 -2.583 1.00 0.00 N ATOM 761 CA ASP A 51 -0.934 -9.422 -2.614 1.00 0.00 C ATOM 762 C ASP A 51 -0.776 -10.306 -3.846 1.00 0.00 C ATOM 763 O ASP A 51 -1.390 -10.062 -4.884 1.00 0.00 O ATOM 764 CB ASP A 51 -2.341 -8.843 -2.586 1.00 0.00 C ATOM 765 CG ASP A 51 -3.337 -9.760 -1.906 1.00 0.00 C ATOM 766 OD1 ASP A 51 -2.908 -10.605 -1.094 1.00 0.00 O ATOM 767 OD2 ASP A 51 -4.548 -9.633 -2.188 1.00 0.00 O ATOM 0 H ASP A 51 -0.342 -7.432 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.761 -10.043 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.325 -7.884 -2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.670 -8.649 -3.607 1.00 0.00 H new ATOM 772 N GLY A 52 0.040 -11.348 -3.710 1.00 0.00 N ATOM 773 CA GLY A 52 0.249 -12.270 -4.804 1.00 0.00 C ATOM 774 C GLY A 52 1.624 -12.174 -5.439 1.00 0.00 C ATOM 775 O GLY A 52 2.144 -13.177 -5.930 1.00 0.00 O ATOM 0 H GLY A 52 0.559 -11.567 -2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.098 -13.287 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.506 -12.088 -5.568 1.00 0.00 H new ATOM 779 N ALA A 53 2.219 -10.982 -5.458 1.00 0.00 N ATOM 780 CA ALA A 53 3.531 -10.825 -6.071 1.00 0.00 C ATOM 781 C ALA A 53 4.373 -9.760 -5.383 1.00 0.00 C ATOM 782 O ALA A 53 3.856 -8.746 -4.922 1.00 0.00 O ATOM 783 CB ALA A 53 3.376 -10.503 -7.549 1.00 0.00 C ATOM 0 H ALA A 53 1.821 -10.129 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 53 4.060 -11.771 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.361 -10.387 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.843 -11.314 -8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.813 -9.577 -7.662 1.00 0.00 H new ATOM 789 N VAL A 54 5.676 -9.991 -5.337 1.00 0.00 N ATOM 790 CA VAL A 54 6.600 -9.047 -4.732 1.00 0.00 C ATOM 791 C VAL A 54 7.448 -8.379 -5.812 1.00 0.00 C ATOM 792 O VAL A 54 8.399 -8.972 -6.318 1.00 0.00 O ATOM 793 CB VAL A 54 7.521 -9.747 -3.715 1.00 0.00 C ATOM 794 CG1 VAL A 54 8.226 -10.933 -4.354 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.530 -8.765 -3.135 1.00 0.00 C ATOM 0 H VAL A 54 6.118 -10.829 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 54 6.014 -8.292 -4.207 1.00 0.00 H new ATOM 0 HB VAL A 54 6.904 -10.120 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.871 -11.413 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.485 -11.649 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.828 -10.589 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.170 -9.281 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.142 -8.355 -3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.002 -7.955 -2.631 1.00 0.00 H new ATOM 805 N GLU A 55 7.095 -7.148 -6.169 1.00 0.00 N ATOM 806 CA GLU A 55 7.827 -6.417 -7.200 1.00 0.00 C ATOM 807 C GLU A 55 8.806 -5.426 -6.576 1.00 0.00 C ATOM 808 O GLU A 55 9.111 -5.509 -5.387 1.00 0.00 O ATOM 809 CB GLU A 55 6.847 -5.685 -8.122 1.00 0.00 C ATOM 810 CG GLU A 55 5.815 -6.600 -8.764 1.00 0.00 C ATOM 811 CD GLU A 55 5.988 -6.710 -10.266 1.00 0.00 C ATOM 812 OE1 GLU A 55 6.342 -5.694 -10.898 1.00 0.00 O ATOM 813 OE2 GLU A 55 5.771 -7.814 -10.810 1.00 0.00 O ATOM 0 H GLU A 55 6.311 -6.637 -5.763 1.00 0.00 H new ATOM 0 HA GLU A 55 8.399 -7.135 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.331 -4.914 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.409 -5.178 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.889 -7.593 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.815 -6.225 -8.544 1.00 0.00 H new ATOM 820 N THR A 56 9.304 -4.493 -7.385 1.00 0.00 N ATOM 821 CA THR A 56 10.254 -3.497 -6.903 1.00 0.00 C ATOM 822 C THR A 56 10.397 -2.344 -7.888 1.00 0.00 C ATOM 823 O THR A 56 11.463 -1.738 -7.998 1.00 0.00 O ATOM 824 CB THR A 56 11.615 -4.147 -6.668 1.00 0.00 C ATOM 825 OG1 THR A 56 12.574 -3.177 -6.282 1.00 0.00 O ATOM 826 CG2 THR A 56 12.152 -4.867 -7.885 1.00 0.00 C ATOM 0 H THR A 56 9.066 -4.407 -8.373 1.00 0.00 H new ATOM 0 HA THR A 56 9.873 -3.096 -5.964 1.00 0.00 H new ATOM 0 HB THR A 56 11.454 -4.879 -5.876 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.616 -2.471 -6.960 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.122 -5.306 -7.650 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.458 -5.655 -8.177 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.264 -4.159 -8.706 1.00 0.00 H new ATOM 834 N ARG A 57 9.322 -2.047 -8.604 1.00 0.00 N ATOM 835 CA ARG A 57 9.328 -0.969 -9.582 1.00 0.00 C ATOM 836 C ARG A 57 8.935 0.356 -8.938 1.00 0.00 C ATOM 837 O ARG A 57 8.442 0.389 -7.810 1.00 0.00 O ATOM 838 CB ARG A 57 8.367 -1.299 -10.728 1.00 0.00 C ATOM 839 CG ARG A 57 8.849 -2.427 -11.628 1.00 0.00 C ATOM 840 CD ARG A 57 8.165 -2.391 -12.988 1.00 0.00 C ATOM 841 NE ARG A 57 9.122 -2.500 -14.088 1.00 0.00 N ATOM 842 CZ ARG A 57 8.769 -2.630 -15.367 1.00 0.00 C ATOM 843 NH1 ARG A 57 7.488 -2.664 -15.709 1.00 0.00 N ATOM 844 NH2 ARG A 57 9.701 -2.726 -16.307 1.00 0.00 N ATOM 0 H ARG A 57 8.432 -2.539 -8.525 1.00 0.00 H new ATOM 0 HA ARG A 57 10.340 -0.870 -9.976 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.397 -1.569 -10.310 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.216 -0.404 -11.332 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.928 -2.351 -11.761 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.654 -3.386 -11.147 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.445 -3.206 -13.053 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.604 -1.462 -13.087 1.00 0.00 H new ATOM 0 HE ARG A 57 10.117 -2.475 -13.864 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.767 -2.590 -14.992 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.224 -2.764 -16.689 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.688 -2.700 -16.051 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.430 -2.825 -17.285 1.00 0.00 H new ATOM 858 N LYS A 58 9.146 1.445 -9.667 1.00 0.00 N ATOM 859 CA LYS A 58 8.800 2.772 -9.173 1.00 0.00 C ATOM 860 C LYS A 58 7.302 3.002 -9.308 1.00 0.00 C ATOM 861 O LYS A 58 6.676 3.643 -8.464 1.00 0.00 O ATOM 862 CB LYS A 58 9.576 3.843 -9.940 1.00 0.00 C ATOM 863 CG LYS A 58 11.052 3.520 -10.096 1.00 0.00 C ATOM 864 CD LYS A 58 11.819 3.805 -8.815 1.00 0.00 C ATOM 865 CE LYS A 58 13.227 3.234 -8.866 1.00 0.00 C ATOM 866 NZ LYS A 58 13.971 3.489 -7.602 1.00 0.00 N ATOM 0 H LYS A 58 9.555 1.436 -10.602 1.00 0.00 H new ATOM 0 HA LYS A 58 9.072 2.839 -8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.132 3.966 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.473 4.797 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.170 2.471 -10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.471 4.109 -10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.868 4.882 -8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.283 3.378 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.178 2.161 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.769 3.676 -9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.994 3.453 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.719 4.428 -7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.721 2.764 -6.900 1.00 0.00 H new ATOM 880 N ARG A 59 6.735 2.461 -10.381 1.00 0.00 N ATOM 881 CA ARG A 59 5.308 2.587 -10.644 1.00 0.00 C ATOM 882 C ARG A 59 4.597 1.262 -10.388 1.00 0.00 C ATOM 883 O ARG A 59 5.072 0.206 -10.804 1.00 0.00 O ATOM 884 CB ARG A 59 5.070 3.032 -12.089 1.00 0.00 C ATOM 885 CG ARG A 59 3.600 3.230 -12.434 1.00 0.00 C ATOM 886 CD ARG A 59 3.392 4.428 -13.349 1.00 0.00 C ATOM 887 NE ARG A 59 2.749 4.048 -14.608 1.00 0.00 N ATOM 888 CZ ARG A 59 3.261 4.291 -15.815 1.00 0.00 C ATOM 889 NH1 ARG A 59 4.419 4.927 -15.946 1.00 0.00 N ATOM 890 NH2 ARG A 59 2.606 3.897 -16.901 1.00 0.00 N ATOM 0 H ARG A 59 7.246 1.929 -11.085 1.00 0.00 H new ATOM 0 HA ARG A 59 4.902 3.340 -9.969 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.604 3.966 -12.265 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.496 2.289 -12.763 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.216 2.332 -12.918 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.027 3.369 -11.517 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.780 5.172 -12.839 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.354 4.896 -13.559 1.00 0.00 H new ATOM 0 HE ARG A 59 1.851 3.566 -14.559 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.928 5.236 -15.118 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.800 5.107 -16.875 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.714 3.410 -16.810 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.995 4.081 -17.826 1.00 0.00 H new ATOM 904 N CYS A 60 3.459 1.318 -9.705 1.00 0.00 N ATOM 905 CA CYS A 60 2.699 0.115 -9.406 1.00 0.00 C ATOM 906 C CYS A 60 1.474 0.012 -10.305 1.00 0.00 C ATOM 907 O CYS A 60 0.592 0.869 -10.271 1.00 0.00 O ATOM 908 CB CYS A 60 2.271 0.107 -7.937 1.00 0.00 C ATOM 909 SG CYS A 60 2.557 -1.469 -7.097 1.00 0.00 S ATOM 0 H CYS A 60 3.046 2.180 -9.350 1.00 0.00 H new ATOM 0 HA CYS A 60 3.340 -0.746 -9.593 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.810 0.892 -7.408 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.211 0.352 -7.877 1.00 0.00 H new ATOM 0 HG CYS A 60 2.166 -1.379 -5.860 1.00 0.00 H new ATOM 915 N LYS A 61 1.423 -1.043 -11.106 1.00 0.00 N ATOM 916 CA LYS A 61 0.301 -1.259 -12.007 1.00 0.00 C ATOM 917 C LYS A 61 -0.675 -2.257 -11.398 1.00 0.00 C ATOM 918 O LYS A 61 -0.735 -3.415 -11.811 1.00 0.00 O ATOM 919 CB LYS A 61 0.792 -1.763 -13.364 1.00 0.00 C ATOM 920 CG LYS A 61 1.349 -0.669 -14.261 1.00 0.00 C ATOM 921 CD LYS A 61 2.512 -1.177 -15.097 1.00 0.00 C ATOM 922 CE LYS A 61 3.844 -0.664 -14.573 1.00 0.00 C ATOM 923 NZ LYS A 61 4.909 -0.719 -15.612 1.00 0.00 N ATOM 0 H LYS A 61 2.145 -1.762 -11.150 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.212 -0.309 -12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.563 -2.516 -13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.033 -2.256 -13.878 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.562 -0.298 -14.917 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.678 0.172 -13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.514 -2.267 -15.094 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.382 -0.862 -16.132 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.727 0.363 -14.228 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.147 -1.257 -13.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.801 -0.361 -15.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.039 -1.703 -15.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.632 -0.132 -16.425 1.00 0.00 H new ATOM 937 N ILE A 62 -1.424 -1.803 -10.400 1.00 0.00 N ATOM 938 CA ILE A 62 -2.388 -2.658 -9.717 1.00 0.00 C ATOM 939 C ILE A 62 -3.700 -1.926 -9.450 1.00 0.00 C ATOM 940 O ILE A 62 -3.713 -0.726 -9.177 1.00 0.00 O ATOM 941 CB ILE A 62 -1.819 -3.168 -8.380 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.423 -3.761 -8.582 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.755 -4.194 -7.760 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.346 -3.948 -7.292 1.00 0.00 C ATOM 0 H ILE A 62 -1.382 -0.847 -10.046 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.584 -3.502 -10.378 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.735 -2.324 -7.696 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.515 -4.724 -9.084 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.147 -3.110 -9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.337 -4.544 -6.816 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.728 -3.737 -7.579 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.872 -5.038 -8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.326 -4.372 -7.511 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.470 -2.984 -6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.203 -4.623 -6.636 1.00 0.00 H new ATOM 956 N VAL A 63 -4.805 -2.663 -9.523 1.00 0.00 N ATOM 957 CA VAL A 63 -6.128 -2.093 -9.284 1.00 0.00 C ATOM 958 C VAL A 63 -7.084 -3.149 -8.736 1.00 0.00 C ATOM 959 O VAL A 63 -6.734 -4.324 -8.638 1.00 0.00 O ATOM 960 CB VAL A 63 -6.740 -1.494 -10.566 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.269 -0.065 -10.769 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.405 -2.350 -11.778 1.00 0.00 C ATOM 0 H VAL A 63 -4.810 -3.658 -9.746 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.993 -1.296 -8.553 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.824 -1.482 -10.450 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.713 0.339 -11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.573 0.543 -9.917 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.183 -0.049 -10.857 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.848 -1.907 -12.670 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.323 -2.403 -11.898 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.804 -3.354 -11.636 1.00 0.00 H new ATOM 972 N ALA A 64 -8.295 -2.723 -8.390 1.00 0.00 N ATOM 973 CA ALA A 64 -9.313 -3.631 -7.862 1.00 0.00 C ATOM 974 C ALA A 64 -9.015 -4.023 -6.412 1.00 0.00 C ATOM 975 O ALA A 64 -8.444 -3.237 -5.655 1.00 0.00 O ATOM 976 CB ALA A 64 -9.429 -4.865 -8.750 1.00 0.00 C ATOM 0 H ALA A 64 -8.598 -1.752 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.270 -3.109 -7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.190 -5.533 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.710 -4.562 -9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.470 -5.383 -8.780 1.00 0.00 H new ATOM 982 N GLY A 65 -9.412 -5.238 -6.026 1.00 0.00 N ATOM 983 CA GLY A 65 -9.187 -5.704 -4.671 1.00 0.00 C ATOM 984 C GLY A 65 -7.812 -6.314 -4.482 1.00 0.00 C ATOM 985 O GLY A 65 -7.675 -7.536 -4.398 1.00 0.00 O ATOM 0 H GLY A 65 -9.887 -5.906 -6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.308 -4.870 -3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.946 -6.443 -4.415 1.00 0.00 H new ATOM 989 N GLN A 66 -6.794 -5.466 -4.424 1.00 0.00 N ATOM 990 CA GLN A 66 -5.420 -5.930 -4.253 1.00 0.00 C ATOM 991 C GLN A 66 -4.790 -5.311 -3.009 1.00 0.00 C ATOM 992 O GLN A 66 -5.146 -4.210 -2.603 1.00 0.00 O ATOM 993 CB GLN A 66 -4.592 -5.585 -5.491 1.00 0.00 C ATOM 994 CG GLN A 66 -5.118 -6.225 -6.766 1.00 0.00 C ATOM 995 CD GLN A 66 -4.924 -7.728 -6.787 1.00 0.00 C ATOM 996 OE1 GLN A 66 -3.899 -8.228 -7.247 1.00 0.00 O ATOM 997 NE2 GLN A 66 -5.916 -8.459 -6.289 1.00 0.00 N ATOM 0 H GLN A 66 -6.892 -4.453 -4.493 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.436 -7.012 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.574 -4.502 -5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.562 -5.904 -5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.179 -5.998 -6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.611 -5.785 -7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.749 -8.003 -5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.844 -9.476 -6.278 1.00 0.00 H new ATOM 1006 N THR A 67 -3.867 -6.045 -2.398 1.00 0.00 N ATOM 1007 CA THR A 67 -3.202 -5.589 -1.178 1.00 0.00 C ATOM 1008 C THR A 67 -1.707 -5.349 -1.385 1.00 0.00 C ATOM 1009 O THR A 67 -1.063 -6.005 -2.201 1.00 0.00 O ATOM 1010 CB THR A 67 -3.411 -6.622 -0.063 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.791 -6.852 0.164 1.00 0.00 O ATOM 1012 CG2 THR A 67 -2.786 -6.226 1.261 1.00 0.00 C ATOM 0 H THR A 67 -3.560 -6.961 -2.727 1.00 0.00 H new ATOM 0 HA THR A 67 -3.648 -4.635 -0.898 1.00 0.00 H new ATOM 0 HB THR A 67 -2.914 -7.524 -0.421 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.900 -7.466 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.975 -7.005 2.000 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.711 -6.101 1.133 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.222 -5.288 1.603 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.166 -4.410 -0.611 1.00 0.00 N ATOM 1021 CA VAL A 68 0.254 -4.072 -0.660 1.00 0.00 C ATOM 1022 C VAL A 68 0.855 -4.177 0.748 1.00 0.00 C ATOM 1023 O VAL A 68 0.173 -3.902 1.735 1.00 0.00 O ATOM 1024 CB VAL A 68 0.466 -2.656 -1.267 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.156 -1.704 -0.298 1.00 0.00 C ATOM 1026 CG2 VAL A 68 1.248 -2.750 -2.568 1.00 0.00 C ATOM 0 H VAL A 68 -1.699 -3.864 0.066 1.00 0.00 H new ATOM 0 HA VAL A 68 0.769 -4.780 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.522 -2.243 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.280 -0.730 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.549 -1.596 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.134 -2.104 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.389 -1.751 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.220 -3.203 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.696 -3.363 -3.281 1.00 0.00 H new ATOM 1036 N SER A 69 2.118 -4.599 0.847 1.00 0.00 N ATOM 1037 CA SER A 69 2.750 -4.754 2.157 1.00 0.00 C ATOM 1038 C SER A 69 4.203 -4.273 2.180 1.00 0.00 C ATOM 1039 O SER A 69 4.978 -4.523 1.252 1.00 0.00 O ATOM 1040 CB SER A 69 2.685 -6.220 2.595 1.00 0.00 C ATOM 1041 OG SER A 69 3.664 -6.998 1.928 1.00 0.00 O ATOM 0 H SER A 69 2.712 -4.835 0.052 1.00 0.00 H new ATOM 0 HA SER A 69 2.194 -4.125 2.853 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.835 -6.287 3.672 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.693 -6.621 2.386 1.00 0.00 H new ATOM 0 HG SER A 69 3.811 -6.637 1.029 1.00 0.00 H new ATOM 1047 N PHE A 70 4.554 -3.590 3.276 1.00 0.00 N ATOM 1048 CA PHE A 70 5.903 -3.064 3.490 1.00 0.00 C ATOM 1049 C PHE A 70 6.287 -3.181 4.962 1.00 0.00 C ATOM 1050 O PHE A 70 5.602 -2.640 5.823 1.00 0.00 O ATOM 1051 CB PHE A 70 5.979 -1.593 3.068 1.00 0.00 C ATOM 1052 CG PHE A 70 7.268 -0.911 3.443 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.432 -1.636 3.650 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.308 0.462 3.599 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.608 -1.005 4.003 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.480 1.097 3.951 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.632 0.364 4.154 1.00 0.00 C ATOM 0 H PHE A 70 3.908 -3.387 4.039 1.00 0.00 H new ATOM 0 HA PHE A 70 6.595 -3.649 2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.848 -1.529 1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.149 -1.052 3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.418 -2.710 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.411 1.044 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.507 -1.583 4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.497 2.170 4.068 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.549 0.862 4.430 1.00 0.00 H new ATOM 1067 N ALA A 71 7.385 -3.880 5.243 1.00 0.00 N ATOM 1068 CA ALA A 71 7.860 -4.060 6.613 1.00 0.00 C ATOM 1069 C ALA A 71 6.728 -4.492 7.543 1.00 0.00 C ATOM 1070 O ALA A 71 6.575 -5.677 7.842 1.00 0.00 O ATOM 1071 CB ALA A 71 8.513 -2.780 7.120 1.00 0.00 C ATOM 0 H ALA A 71 7.965 -4.333 4.536 1.00 0.00 H new ATOM 0 HA ALA A 71 8.605 -4.855 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.862 -2.930 8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.359 -2.525 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.786 -1.968 7.100 1.00 0.00 H new ATOM 1077 N GLY A 72 5.938 -3.524 7.995 1.00 0.00 N ATOM 1078 CA GLY A 72 4.830 -3.821 8.882 1.00 0.00 C ATOM 1079 C GLY A 72 3.527 -3.187 8.437 1.00 0.00 C ATOM 1080 O GLY A 72 2.500 -3.362 9.090 1.00 0.00 O ATOM 0 H GLY A 72 6.046 -2.537 7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.700 -4.902 8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.072 -3.473 9.886 1.00 0.00 H new ATOM 1084 N HIS A 73 3.561 -2.439 7.341 1.00 0.00 N ATOM 1085 CA HIS A 73 2.365 -1.776 6.850 1.00 0.00 C ATOM 1086 C HIS A 73 1.637 -2.626 5.808 1.00 0.00 C ATOM 1087 O HIS A 73 2.006 -2.635 4.634 1.00 0.00 O ATOM 1088 CB HIS A 73 2.722 -0.413 6.250 1.00 0.00 C ATOM 1089 CG HIS A 73 3.505 0.464 7.177 1.00 0.00 C ATOM 1090 ND1 HIS A 73 3.795 0.117 8.480 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.064 1.683 6.983 1.00 0.00 C ATOM 1092 CE1 HIS A 73 4.496 1.081 9.048 1.00 0.00 C ATOM 1093 NE2 HIS A 73 4.673 2.043 8.160 1.00 0.00 N ATOM 0 H HIS A 73 4.398 -2.279 6.781 1.00 0.00 H new ATOM 0 HA HIS A 73 1.695 -1.635 7.699 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.297 -0.567 5.337 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.804 0.101 5.966 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.036 2.263 6.073 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.862 1.083 10.064 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.180 2.913 8.322 1.00 0.00 H new ATOM 1101 N SER A 74 0.595 -3.329 6.245 1.00 0.00 N ATOM 1102 CA SER A 74 -0.192 -4.170 5.348 1.00 0.00 C ATOM 1103 C SER A 74 -1.576 -3.565 5.129 1.00 0.00 C ATOM 1104 O SER A 74 -2.414 -3.564 6.030 1.00 0.00 O ATOM 1105 CB SER A 74 -0.320 -5.586 5.910 1.00 0.00 C ATOM 1106 OG SER A 74 0.714 -6.424 5.418 1.00 0.00 O ATOM 0 H SER A 74 0.277 -3.333 7.214 1.00 0.00 H new ATOM 0 HA SER A 74 0.324 -4.223 4.389 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.280 -5.554 6.999 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.290 -6.002 5.639 1.00 0.00 H new ATOM 0 HG SER A 74 0.612 -7.324 5.793 1.00 0.00 H new ATOM 1112 N VAL A 75 -1.797 -3.040 3.930 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.070 -2.411 3.586 1.00 0.00 C ATOM 1114 C VAL A 75 -3.624 -2.984 2.284 1.00 0.00 C ATOM 1115 O VAL A 75 -2.875 -3.508 1.460 1.00 0.00 O ATOM 1116 CB VAL A 75 -2.892 -0.884 3.437 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.222 -0.175 3.243 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.157 -0.311 4.642 1.00 0.00 C ATOM 0 H VAL A 75 -1.110 -3.037 3.176 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.774 -2.617 4.392 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.294 -0.712 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.052 0.897 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.707 -0.551 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.863 -0.361 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.041 0.766 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.729 -0.513 5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.174 -0.775 4.723 1.00 0.00 H new ATOM 1128 N GLN A 76 -4.939 -2.885 2.099 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.577 -3.396 0.892 1.00 0.00 C ATOM 1130 C GLN A 76 -6.119 -2.251 0.042 1.00 0.00 C ATOM 1131 O GLN A 76 -6.290 -1.133 0.526 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.719 -4.352 1.249 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.344 -5.409 2.274 1.00 0.00 C ATOM 1134 CD GLN A 76 -6.415 -4.893 3.695 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -7.499 -4.699 4.245 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -5.255 -4.667 4.301 1.00 0.00 N ATOM 0 H GLN A 76 -5.579 -2.457 2.768 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.824 -3.938 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.559 -3.772 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.062 -4.847 0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.011 -6.265 2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.334 -5.765 2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.379 -4.842 3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.240 -4.319 5.260 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.374 -2.538 -1.229 1.00 0.00 N ATOM 1146 CA VAL A 77 -6.884 -1.537 -2.161 1.00 0.00 C ATOM 1147 C VAL A 77 -8.166 -2.018 -2.835 1.00 0.00 C ATOM 1148 O VAL A 77 -8.288 -3.191 -3.182 1.00 0.00 O ATOM 1149 CB VAL A 77 -5.842 -1.207 -3.248 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.310 -0.041 -4.104 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -4.485 -0.914 -2.623 1.00 0.00 C ATOM 0 H VAL A 77 -6.235 -3.461 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.096 -0.639 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.734 -2.078 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.560 0.176 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.253 -0.299 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.453 0.838 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.765 -0.684 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.571 -0.062 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.146 -1.786 -2.064 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.116 -1.106 -3.025 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.384 -1.445 -3.664 1.00 0.00 C ATOM 1163 C VAL A 78 -10.711 -0.468 -4.790 1.00 0.00 C ATOM 1164 O VAL A 78 -10.286 0.688 -4.767 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.548 -1.457 -2.653 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.357 -2.560 -1.623 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -11.689 -0.103 -1.975 1.00 0.00 C ATOM 0 H VAL A 78 -9.032 -0.128 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.267 -2.447 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.469 -1.659 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.190 -2.550 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.319 -3.526 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.424 -2.396 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.516 -0.135 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.767 0.137 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.885 0.662 -2.727 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.464 -0.943 -5.779 1.00 0.00 N ATOM 1178 CA ALA A 79 -11.845 -0.117 -6.917 1.00 0.00 C ATOM 1179 C ALA A 79 -13.214 -0.518 -7.457 1.00 0.00 C ATOM 1180 O ALA A 79 -13.786 0.256 -8.253 1.00 0.00 O ATOM 1181 CB ALA A 79 -10.798 -0.215 -8.015 1.00 0.00 C ATOM 1182 OXT ALA A 79 -13.702 -1.606 -7.083 1.00 0.00 O ATOM 0 H ALA A 79 -11.822 -1.898 -5.813 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.906 0.916 -6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.096 0.407 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.837 0.128 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.709 -1.251 -8.342 1.00 0.00 H new TER 1188 ALA A 79