USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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: B 19 TYR OH : rot 180:sc=-0.00288 USER MOD Set 1.2: B 20 MET CE :methyl -111:sc= -2.39! (180deg=-5.51!) USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= -0.0414 USER MOD Set 2.2: A 20 MET CE :methyl 138:sc= -1.89 (180deg=-3.74!) USER MOD Single : A 1 MET CE :methyl 144:sc= -4.19 (180deg=-6.35!) USER MOD Single : A 1 MET N :NH3+ -159:sc=-0.00476 (180deg=-0.208) USER MOD Single : A 3 MET CE :methyl -122:sc= -3.07 (180deg=-7.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0609 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.666 K(o=-0.67,f=-4.4!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 22 THR OG1 : rot -34:sc= 0.284 USER MOD Single : A 23 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 28 THR OG1 : rot 70:sc= 0.288 USER MOD Single : A 30 GLN : amide:sc= -0.0954 X(o=-0.095,f=-0.5) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 35 SER OG : rot 18:sc= 0.701 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0625 USER MOD Single : A 44 GLN : amide:sc= -0.287 K(o=-0.29,f=-0.9) USER MOD Single : B 1 MET CE :methyl 147:sc= -4.35! (180deg=-6.57!) USER MOD Single : B 1 MET N :NH3+ -158:sc= -0.0116 (180deg=-0.185) USER MOD Single : B 3 MET CE :methyl -120:sc= -3.25 (180deg=-7.95!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.14 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -0.746 K(o=-0.75,f=-4.6!) USER MOD Single : B 14 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.16) USER MOD Single : B 22 THR OG1 : rot -28:sc= 0.267 USER MOD Single : B 23 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : B 28 THR OG1 : rot 69:sc= 0.767 USER MOD Single : B 30 GLN : amide:sc= -0.0964 K(o=-0.096,f=-0.64) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : B 35 SER OG : rot 21:sc= 0.601 USER MOD Single : B 43 SER OG : rot 180:sc= 0.0562 USER MOD Single : B 44 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.125 -11.054 -4.207 1.00 0.00 N ATOM 2 CA MET A 1 -1.410 -10.205 -5.153 1.00 0.00 C ATOM 3 C MET A 1 -1.539 -10.746 -6.574 1.00 0.00 C ATOM 4 O MET A 1 -1.155 -11.882 -6.854 1.00 0.00 O ATOM 5 CB MET A 1 0.067 -10.105 -4.765 1.00 0.00 C ATOM 6 CG MET A 1 0.295 -9.474 -3.401 1.00 0.00 C ATOM 7 SD MET A 1 1.337 -8.005 -3.482 1.00 0.00 S ATOM 8 CE MET A 1 0.404 -6.991 -4.626 1.00 0.00 C ATOM 0 H1 MET A 1 -2.332 -10.513 -3.343 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.016 -11.377 -4.635 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.538 -11.878 -3.968 1.00 0.00 H new ATOM 0 HA MET A 1 -1.855 -9.211 -5.120 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.505 -11.103 -4.772 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.594 -9.521 -5.519 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.667 -9.209 -2.962 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.757 -10.206 -2.739 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.483 -5.944 -4.332 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.804 -7.116 -5.632 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.643 -7.294 -4.611 1.00 0.00 H new ATOM 18 N LEU A 2 -2.081 -9.926 -7.467 1.00 0.00 N ATOM 19 CA LEU A 2 -2.260 -10.321 -8.860 1.00 0.00 C ATOM 20 C LEU A 2 -1.496 -9.389 -9.794 1.00 0.00 C ATOM 21 O LEU A 2 -1.714 -8.178 -9.793 1.00 0.00 O ATOM 22 CB LEU A 2 -3.746 -10.321 -9.223 1.00 0.00 C ATOM 23 CG LEU A 2 -4.223 -11.478 -10.101 1.00 0.00 C ATOM 24 CD1 LEU A 2 -5.696 -11.315 -10.445 1.00 0.00 C ATOM 25 CD2 LEU A 2 -3.384 -11.568 -11.367 1.00 0.00 C ATOM 0 H LEU A 2 -2.404 -8.983 -7.252 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.863 -11.329 -8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.325 -10.330 -8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.975 -9.386 -9.734 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.102 -12.406 -9.543 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.018 -12.148 -11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.285 -11.301 -9.528 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.842 -10.379 -10.984 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.738 -12.397 -11.980 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.472 -10.638 -11.929 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.340 -11.733 -11.101 1.00 0.00 H new ATOM 37 N MET A 3 -0.601 -9.962 -10.592 1.00 0.00 N ATOM 38 CA MET A 3 0.193 -9.182 -11.534 1.00 0.00 C ATOM 39 C MET A 3 -0.706 -8.402 -12.487 1.00 0.00 C ATOM 40 O MET A 3 -1.531 -8.984 -13.193 1.00 0.00 O ATOM 41 CB MET A 3 1.126 -10.098 -12.329 1.00 0.00 C ATOM 42 CG MET A 3 2.463 -9.459 -12.665 1.00 0.00 C ATOM 43 SD MET A 3 3.071 -9.937 -14.294 1.00 0.00 S ATOM 44 CE MET A 3 4.138 -8.551 -14.678 1.00 0.00 C ATOM 0 H MET A 3 -0.408 -10.963 -10.605 1.00 0.00 H new ATOM 0 HA MET A 3 0.792 -8.471 -10.964 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.302 -11.009 -11.757 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.631 -10.393 -13.254 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.364 -8.374 -12.622 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.197 -9.742 -11.910 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.808 -8.084 -15.606 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.093 -7.822 -13.869 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.163 -8.902 -14.793 1.00 0.00 H new ATOM 54 N ILE A 4 -0.542 -7.083 -12.502 1.00 0.00 N ATOM 55 CA ILE A 4 -1.339 -6.225 -13.370 1.00 0.00 C ATOM 56 C ILE A 4 -0.754 -6.170 -14.777 1.00 0.00 C ATOM 57 O ILE A 4 -1.476 -6.289 -15.768 1.00 0.00 O ATOM 58 CB ILE A 4 -1.436 -4.793 -12.810 1.00 0.00 C ATOM 59 CG1 ILE A 4 -2.178 -4.795 -11.472 1.00 0.00 C ATOM 60 CG2 ILE A 4 -2.133 -3.881 -13.808 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.508 -5.514 -11.520 1.00 0.00 C ATOM 0 H ILE A 4 0.135 -6.586 -11.923 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.338 -6.659 -13.412 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.428 -4.414 -12.644 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.547 -5.264 -10.717 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.342 -3.765 -11.155 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.194 -2.873 -13.398 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.567 -3.861 -14.739 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.138 -4.255 -14.002 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.978 -5.476 -10.537 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.156 -5.031 -12.251 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.349 -6.554 -11.806 1.00 0.00 H new ATOM 73 N THR A 5 0.561 -5.990 -14.859 1.00 0.00 N ATOM 74 CA THR A 5 1.245 -5.920 -16.144 1.00 0.00 C ATOM 75 C THR A 5 2.754 -5.815 -15.959 1.00 0.00 C ATOM 76 O THR A 5 3.252 -5.810 -14.833 1.00 0.00 O ATOM 77 CB THR A 5 0.756 -4.719 -16.975 1.00 0.00 C ATOM 78 OG1 THR A 5 1.229 -4.831 -18.322 1.00 0.00 O ATOM 79 CG2 THR A 5 1.238 -3.410 -16.370 1.00 0.00 C ATOM 0 H THR A 5 1.174 -5.890 -14.050 1.00 0.00 H new ATOM 0 HA THR A 5 1.011 -6.841 -16.677 1.00 0.00 H new ATOM 0 HB THR A 5 -0.334 -4.722 -16.971 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.913 -4.065 -18.845 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.880 -2.576 -16.974 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.852 -3.314 -15.355 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.328 -3.400 -16.346 1.00 0.00 H new ATOM 87 N SER A 6 3.478 -5.730 -17.071 1.00 0.00 N ATOM 88 CA SER A 6 4.932 -5.627 -17.031 1.00 0.00 C ATOM 89 C SER A 6 5.425 -4.536 -17.975 1.00 0.00 C ATOM 90 O SER A 6 4.976 -4.437 -19.117 1.00 0.00 O ATOM 91 CB SER A 6 5.569 -6.967 -17.404 1.00 0.00 C ATOM 92 OG SER A 6 5.958 -6.985 -18.766 1.00 0.00 O ATOM 0 H SER A 6 3.081 -5.730 -18.011 1.00 0.00 H new ATOM 0 HA SER A 6 5.226 -5.363 -16.015 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.438 -7.148 -16.772 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.862 -7.775 -17.214 1.00 0.00 H new ATOM 0 HG SER A 6 6.364 -7.851 -18.979 1.00 0.00 H new ATOM 98 N PHE A 7 6.354 -3.718 -17.490 1.00 0.00 N ATOM 99 CA PHE A 7 6.909 -2.632 -18.290 1.00 0.00 C ATOM 100 C PHE A 7 8.434 -2.687 -18.297 1.00 0.00 C ATOM 101 O PHE A 7 9.042 -3.452 -17.548 1.00 0.00 O ATOM 102 CB PHE A 7 6.440 -1.280 -17.749 1.00 0.00 C ATOM 103 CG PHE A 7 5.058 -0.901 -18.200 1.00 0.00 C ATOM 104 CD1 PHE A 7 4.853 -0.340 -19.450 1.00 0.00 C ATOM 105 CD2 PHE A 7 3.964 -1.106 -17.375 1.00 0.00 C ATOM 106 CE1 PHE A 7 3.583 0.010 -19.869 1.00 0.00 C ATOM 107 CE2 PHE A 7 2.692 -0.759 -17.788 1.00 0.00 C ATOM 108 CZ PHE A 7 2.501 -0.199 -19.036 1.00 0.00 C ATOM 0 H PHE A 7 6.738 -3.787 -16.548 1.00 0.00 H new ATOM 0 HA PHE A 7 6.553 -2.750 -19.313 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.464 -1.305 -16.660 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.141 -0.508 -18.065 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.696 -0.174 -20.105 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.107 -1.542 -16.397 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.437 0.446 -20.846 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.848 -0.926 -17.135 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.508 0.075 -19.360 1.00 0.00 H new ATOM 118 N ALA A 8 9.046 -1.872 -19.150 1.00 0.00 N ATOM 119 CA ALA A 8 10.499 -1.826 -19.255 1.00 0.00 C ATOM 120 C ALA A 8 11.015 -0.399 -19.106 1.00 0.00 C ATOM 121 O ALA A 8 11.926 0.019 -19.820 1.00 0.00 O ATOM 122 CB ALA A 8 10.951 -2.417 -20.583 1.00 0.00 C ATOM 0 H ALA A 8 8.558 -1.234 -19.779 1.00 0.00 H new ATOM 0 HA ALA A 8 10.917 -2.422 -18.444 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.038 -2.376 -20.648 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.622 -3.454 -20.651 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.517 -1.845 -21.403 1.00 0.00 H new ATOM 128 N ASN A 9 10.427 0.344 -18.174 1.00 0.00 N ATOM 129 CA ASN A 9 10.828 1.725 -17.933 1.00 0.00 C ATOM 130 C ASN A 9 10.260 2.233 -16.611 1.00 0.00 C ATOM 131 O ASN A 9 9.122 1.941 -16.243 1.00 0.00 O ATOM 132 CB ASN A 9 10.359 2.622 -19.080 1.00 0.00 C ATOM 133 CG ASN A 9 11.497 3.033 -19.994 1.00 0.00 C ATOM 134 OD1 ASN A 9 12.638 3.181 -19.556 1.00 0.00 O ATOM 135 ND2 ASN A 9 11.191 3.221 -21.273 1.00 0.00 N ATOM 0 H ASN A 9 9.672 0.013 -17.574 1.00 0.00 H new ATOM 0 HA ASN A 9 11.916 1.757 -17.877 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.601 2.097 -19.661 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.885 3.514 -18.670 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.915 3.499 -21.935 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.232 3.087 -21.593 1.00 0.00 H new ATOM 142 N PRO A 10 11.071 3.011 -15.879 1.00 0.00 N ATOM 143 CA PRO A 10 10.670 3.578 -14.587 1.00 0.00 C ATOM 144 C PRO A 10 9.603 4.657 -14.733 1.00 0.00 C ATOM 145 O PRO A 10 8.648 4.707 -13.959 1.00 0.00 O ATOM 146 CB PRO A 10 11.969 4.179 -14.046 1.00 0.00 C ATOM 147 CG PRO A 10 12.787 4.469 -15.258 1.00 0.00 C ATOM 148 CD PRO A 10 12.440 3.400 -16.256 1.00 0.00 C ATOM 0 HA PRO A 10 10.226 2.828 -13.932 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.777 5.086 -13.472 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.480 3.483 -13.381 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.562 5.460 -15.653 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.851 4.454 -15.024 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.484 3.776 -17.278 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.128 2.557 -16.197 1.00 0.00 H new ATOM 156 N ARG A 11 9.773 5.519 -15.731 1.00 0.00 N ATOM 157 CA ARG A 11 8.824 6.598 -15.977 1.00 0.00 C ATOM 158 C ARG A 11 7.408 6.052 -16.133 1.00 0.00 C ATOM 159 O ARG A 11 6.473 6.527 -15.488 1.00 0.00 O ATOM 160 CB ARG A 11 9.222 7.379 -17.231 1.00 0.00 C ATOM 161 CG ARG A 11 10.646 7.908 -17.193 1.00 0.00 C ATOM 162 CD ARG A 11 11.090 8.413 -18.557 1.00 0.00 C ATOM 163 NE ARG A 11 11.723 9.727 -18.475 1.00 0.00 N ATOM 164 CZ ARG A 11 11.073 10.836 -18.141 1.00 0.00 C ATOM 165 NH1 ARG A 11 9.778 10.790 -17.859 1.00 0.00 N ATOM 166 NH2 ARG A 11 11.718 11.994 -18.089 1.00 0.00 N ATOM 0 H ARG A 11 10.558 5.491 -16.381 1.00 0.00 H new ATOM 0 HA ARG A 11 8.843 7.268 -15.118 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.106 6.734 -18.102 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.536 8.216 -17.360 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.716 8.716 -16.465 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.320 7.119 -16.859 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.788 7.701 -18.997 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.228 8.467 -19.222 1.00 0.00 H new ATOM 0 HE ARG A 11 12.719 9.797 -18.686 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.279 9.901 -17.898 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.281 11.643 -17.603 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.714 12.033 -18.306 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.218 12.845 -17.832 1.00 0.00 H new ATOM 180 N VAL A 12 7.256 5.051 -16.995 1.00 0.00 N ATOM 181 CA VAL A 12 5.955 4.440 -17.235 1.00 0.00 C ATOM 182 C VAL A 12 5.425 3.762 -15.977 1.00 0.00 C ATOM 183 O VAL A 12 4.323 4.059 -15.516 1.00 0.00 O ATOM 184 CB VAL A 12 6.023 3.404 -18.373 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.671 2.734 -18.567 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.492 4.060 -19.663 1.00 0.00 C ATOM 0 H VAL A 12 8.018 4.646 -17.538 1.00 0.00 H new ATOM 0 HA VAL A 12 5.277 5.243 -17.524 1.00 0.00 H new ATOM 0 HB VAL A 12 6.746 2.636 -18.099 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.739 2.005 -19.375 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.380 2.229 -17.646 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.925 3.487 -18.819 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.534 3.314 -20.456 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.795 4.849 -19.944 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.483 4.488 -19.514 1.00 0.00 H new ATOM 196 N ALA A 13 6.218 2.849 -15.424 1.00 0.00 N ATOM 197 CA ALA A 13 5.830 2.130 -14.217 1.00 0.00 C ATOM 198 C ALA A 13 5.327 3.090 -13.144 1.00 0.00 C ATOM 199 O ALA A 13 4.169 3.024 -12.734 1.00 0.00 O ATOM 200 CB ALA A 13 7.000 1.313 -13.690 1.00 0.00 C ATOM 0 H ALA A 13 7.133 2.590 -15.793 1.00 0.00 H new ATOM 0 HA ALA A 13 5.015 1.453 -14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.696 0.781 -12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.312 0.594 -14.447 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.832 1.978 -13.456 1.00 0.00 H new ATOM 206 N GLN A 14 6.206 3.980 -12.694 1.00 0.00 N ATOM 207 CA GLN A 14 5.850 4.953 -11.668 1.00 0.00 C ATOM 208 C GLN A 14 4.619 5.754 -12.080 1.00 0.00 C ATOM 209 O GLN A 14 3.721 5.990 -11.272 1.00 0.00 O ATOM 210 CB GLN A 14 7.023 5.898 -11.402 1.00 0.00 C ATOM 211 CG GLN A 14 6.680 7.046 -10.466 1.00 0.00 C ATOM 212 CD GLN A 14 6.245 6.570 -9.094 1.00 0.00 C ATOM 213 OE1 GLN A 14 6.876 5.695 -8.499 1.00 0.00 O ATOM 214 NE2 GLN A 14 5.162 7.144 -8.583 1.00 0.00 N ATOM 0 H GLN A 14 7.169 4.047 -13.024 1.00 0.00 H new ATOM 0 HA GLN A 14 5.617 4.409 -10.753 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.849 5.328 -10.977 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.373 6.306 -12.351 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.548 7.697 -10.362 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.884 7.645 -10.908 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.670 7.865 -9.111 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.822 6.864 -7.663 1.00 0.00 H new ATOM 223 N ALA A 15 4.585 6.170 -13.342 1.00 0.00 N ATOM 224 CA ALA A 15 3.464 6.943 -13.861 1.00 0.00 C ATOM 225 C ALA A 15 2.147 6.201 -13.662 1.00 0.00 C ATOM 226 O ALA A 15 1.223 6.716 -13.031 1.00 0.00 O ATOM 227 CB ALA A 15 3.678 7.257 -15.334 1.00 0.00 C ATOM 0 H ALA A 15 5.321 5.984 -14.023 1.00 0.00 H new ATOM 0 HA ALA A 15 3.411 7.879 -13.305 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.833 7.835 -15.709 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.595 7.835 -15.453 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.760 6.327 -15.896 1.00 0.00 H new ATOM 233 N PHE A 16 2.067 4.991 -14.203 1.00 0.00 N ATOM 234 CA PHE A 16 0.861 4.179 -14.086 1.00 0.00 C ATOM 235 C PHE A 16 0.413 4.078 -12.631 1.00 0.00 C ATOM 236 O PHE A 16 -0.763 4.267 -12.317 1.00 0.00 O ATOM 237 CB PHE A 16 1.105 2.780 -14.654 1.00 0.00 C ATOM 238 CG PHE A 16 0.753 2.654 -16.109 1.00 0.00 C ATOM 239 CD1 PHE A 16 -0.544 2.357 -16.498 1.00 0.00 C ATOM 240 CD2 PHE A 16 1.718 2.832 -17.087 1.00 0.00 C ATOM 241 CE1 PHE A 16 -0.872 2.240 -17.836 1.00 0.00 C ATOM 242 CE2 PHE A 16 1.396 2.717 -18.426 1.00 0.00 C ATOM 243 CZ PHE A 16 0.100 2.420 -18.801 1.00 0.00 C ATOM 0 H PHE A 16 2.823 4.550 -14.727 1.00 0.00 H new ATOM 0 HA PHE A 16 0.070 4.663 -14.659 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.155 2.520 -14.518 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.521 2.058 -14.083 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.307 2.215 -15.747 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.733 3.063 -16.800 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.886 2.008 -18.126 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.157 2.859 -19.179 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.153 2.329 -19.847 1.00 0.00 H new ATOM 253 N VAL A 17 1.358 3.778 -11.746 1.00 0.00 N ATOM 254 CA VAL A 17 1.062 3.651 -10.324 1.00 0.00 C ATOM 255 C VAL A 17 0.669 4.996 -9.723 1.00 0.00 C ATOM 256 O VAL A 17 -0.064 5.056 -8.736 1.00 0.00 O ATOM 257 CB VAL A 17 2.267 3.087 -9.548 1.00 0.00 C ATOM 258 CG1 VAL A 17 1.951 2.997 -8.063 1.00 0.00 C ATOM 259 CG2 VAL A 17 2.666 1.727 -10.100 1.00 0.00 C ATOM 0 H VAL A 17 2.336 3.618 -11.989 1.00 0.00 H new ATOM 0 HA VAL A 17 0.226 2.958 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 17 3.110 3.767 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.814 2.596 -7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.718 3.990 -7.680 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.095 2.340 -7.912 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.519 1.343 -9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.829 1.036 -10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.937 1.826 -11.151 1.00 0.00 H new ATOM 269 N ASP A 18 1.161 6.073 -10.325 1.00 0.00 N ATOM 270 CA ASP A 18 0.860 7.419 -9.851 1.00 0.00 C ATOM 271 C ASP A 18 -0.610 7.759 -10.077 1.00 0.00 C ATOM 272 O ASP A 18 -1.349 8.022 -9.128 1.00 0.00 O ATOM 273 CB ASP A 18 1.748 8.443 -10.560 1.00 0.00 C ATOM 274 CG ASP A 18 1.634 9.827 -9.952 1.00 0.00 C ATOM 275 OD1 ASP A 18 1.411 9.921 -8.727 1.00 0.00 O ATOM 276 OD2 ASP A 18 1.768 10.817 -10.702 1.00 0.00 O ATOM 0 H ASP A 18 1.770 6.040 -11.142 1.00 0.00 H new ATOM 0 HA ASP A 18 1.062 7.454 -8.780 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.786 8.113 -10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.475 8.489 -11.614 1.00 0.00 H new ATOM 281 N TYR A 19 -1.026 7.752 -11.338 1.00 0.00 N ATOM 282 CA TYR A 19 -2.407 8.063 -11.689 1.00 0.00 C ATOM 283 C TYR A 19 -3.363 7.023 -11.112 1.00 0.00 C ATOM 284 O TYR A 19 -4.531 7.313 -10.857 1.00 0.00 O ATOM 285 CB TYR A 19 -2.566 8.132 -13.209 1.00 0.00 C ATOM 286 CG TYR A 19 -3.138 6.871 -13.815 1.00 0.00 C ATOM 287 CD1 TYR A 19 -4.510 6.659 -13.863 1.00 0.00 C ATOM 288 CD2 TYR A 19 -2.305 5.890 -14.341 1.00 0.00 C ATOM 289 CE1 TYR A 19 -5.036 5.508 -14.415 1.00 0.00 C ATOM 290 CE2 TYR A 19 -2.823 4.736 -14.897 1.00 0.00 C ATOM 291 CZ TYR A 19 -4.189 4.549 -14.931 1.00 0.00 C ATOM 292 OH TYR A 19 -4.710 3.402 -15.484 1.00 0.00 O ATOM 0 H TYR A 19 -0.427 7.534 -12.134 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.654 9.034 -11.261 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.213 8.972 -13.461 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.594 8.333 -13.659 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.177 7.408 -13.461 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.235 6.032 -14.315 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.105 5.359 -14.443 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.162 3.985 -15.303 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.980 2.831 -15.802 1.00 0.00 H new ATOM 302 N MET A 20 -2.856 5.811 -10.911 1.00 0.00 N ATOM 303 CA MET A 20 -3.664 4.728 -10.363 1.00 0.00 C ATOM 304 C MET A 20 -3.915 4.937 -8.873 1.00 0.00 C ATOM 305 O MET A 20 -5.023 4.718 -8.384 1.00 0.00 O ATOM 306 CB MET A 20 -2.973 3.382 -10.592 1.00 0.00 C ATOM 307 CG MET A 20 -3.238 2.789 -11.966 1.00 0.00 C ATOM 308 SD MET A 20 -4.667 1.689 -11.985 1.00 0.00 S ATOM 309 CE MET A 20 -6.007 2.876 -12.042 1.00 0.00 C ATOM 0 H MET A 20 -1.891 5.555 -11.119 1.00 0.00 H new ATOM 0 HA MET A 20 -4.624 4.728 -10.878 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.898 3.508 -10.461 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.307 2.677 -9.831 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.396 3.596 -12.681 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.357 2.239 -12.296 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.767 2.533 -12.744 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.448 2.975 -11.050 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.623 3.843 -12.366 1.00 0.00 H new ATOM 319 N ALA A 21 -2.879 5.360 -8.156 1.00 0.00 N ATOM 320 CA ALA A 21 -2.988 5.600 -6.723 1.00 0.00 C ATOM 321 C ALA A 21 -3.919 6.772 -6.431 1.00 0.00 C ATOM 322 O ALA A 21 -4.741 6.713 -5.516 1.00 0.00 O ATOM 323 CB ALA A 21 -1.613 5.855 -6.124 1.00 0.00 C ATOM 0 H ALA A 21 -1.954 5.544 -8.545 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.414 4.708 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.710 6.033 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.976 4.986 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.166 6.729 -6.598 1.00 0.00 H new ATOM 329 N THR A 22 -3.786 7.837 -7.216 1.00 0.00 N ATOM 330 CA THR A 22 -4.614 9.023 -7.041 1.00 0.00 C ATOM 331 C THR A 22 -6.052 8.758 -7.471 1.00 0.00 C ATOM 332 O THR A 22 -6.950 9.552 -7.189 1.00 0.00 O ATOM 333 CB THR A 22 -4.062 10.217 -7.842 1.00 0.00 C ATOM 334 OG1 THR A 22 -4.813 11.399 -7.541 1.00 0.00 O ATOM 335 CG2 THR A 22 -4.122 9.939 -9.337 1.00 0.00 C ATOM 0 H THR A 22 -3.112 7.902 -7.979 1.00 0.00 H new ATOM 0 HA THR A 22 -4.595 9.268 -5.979 1.00 0.00 H new ATOM 0 HB THR A 22 -3.021 10.367 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.750 11.160 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.727 10.796 -9.883 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.526 9.056 -9.567 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.156 9.765 -9.634 1.00 0.00 H new ATOM 343 N GLN A 23 -6.264 7.638 -8.155 1.00 0.00 N ATOM 344 CA GLN A 23 -7.594 7.270 -8.624 1.00 0.00 C ATOM 345 C GLN A 23 -8.301 6.376 -7.610 1.00 0.00 C ATOM 346 O GLN A 23 -9.465 6.020 -7.786 1.00 0.00 O ATOM 347 CB GLN A 23 -7.503 6.556 -9.973 1.00 0.00 C ATOM 348 CG GLN A 23 -7.473 7.503 -11.162 1.00 0.00 C ATOM 349 CD GLN A 23 -8.858 7.956 -11.582 1.00 0.00 C ATOM 350 OE1 GLN A 23 -9.456 7.392 -12.499 1.00 0.00 O ATOM 351 NE2 GLN A 23 -9.375 8.979 -10.912 1.00 0.00 N ATOM 0 H GLN A 23 -5.532 6.970 -8.396 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.175 8.185 -8.743 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.605 5.939 -9.988 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.354 5.883 -10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.870 8.376 -10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.986 7.009 -12.003 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.844 9.416 -10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.304 9.328 -11.150 1.00 0.00 H new ATOM 360 N GLY A 24 -7.588 6.018 -6.546 1.00 0.00 N ATOM 361 CA GLY A 24 -8.163 5.168 -5.519 1.00 0.00 C ATOM 362 C GLY A 24 -7.696 3.731 -5.627 1.00 0.00 C ATOM 363 O GLY A 24 -8.252 2.839 -4.985 1.00 0.00 O ATOM 0 H GLY A 24 -6.623 6.301 -6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.898 5.560 -4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.250 5.200 -5.592 1.00 0.00 H new ATOM 367 N VAL A 25 -6.671 3.503 -6.443 1.00 0.00 N ATOM 368 CA VAL A 25 -6.129 2.163 -6.634 1.00 0.00 C ATOM 369 C VAL A 25 -4.621 2.143 -6.411 1.00 0.00 C ATOM 370 O VAL A 25 -3.862 2.734 -7.181 1.00 0.00 O ATOM 371 CB VAL A 25 -6.436 1.629 -8.046 1.00 0.00 C ATOM 372 CG1 VAL A 25 -6.248 0.120 -8.099 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.846 2.014 -8.466 1.00 0.00 C ATOM 0 H VAL A 25 -6.200 4.229 -6.982 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.610 1.519 -5.898 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.736 2.083 -8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.469 -0.239 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.218 -0.127 -7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.922 -0.356 -7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.046 1.629 -9.466 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.563 1.590 -7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.941 3.100 -8.470 1.00 0.00 H new ATOM 383 N ILE A 26 -4.193 1.460 -5.355 1.00 0.00 N ATOM 384 CA ILE A 26 -2.775 1.363 -5.032 1.00 0.00 C ATOM 385 C ILE A 26 -2.090 0.299 -5.883 1.00 0.00 C ATOM 386 O ILE A 26 -2.553 -0.840 -5.964 1.00 0.00 O ATOM 387 CB ILE A 26 -2.558 1.032 -3.543 1.00 0.00 C ATOM 388 CG1 ILE A 26 -3.202 2.104 -2.661 1.00 0.00 C ATOM 389 CG2 ILE A 26 -1.072 0.911 -3.239 1.00 0.00 C ATOM 390 CD1 ILE A 26 -2.649 3.492 -2.896 1.00 0.00 C ATOM 0 H ILE A 26 -4.808 0.966 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.334 2.337 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.033 0.075 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.277 2.114 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.058 1.837 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.934 0.677 -2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.640 0.116 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.576 1.854 -3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.151 4.200 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.579 3.498 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.817 3.780 -3.934 1.00 0.00 H new ATOM 402 N LEU A 27 -0.984 0.676 -6.514 1.00 0.00 N ATOM 403 CA LEU A 27 -0.232 -0.246 -7.358 1.00 0.00 C ATOM 404 C LEU A 27 1.218 -0.349 -6.896 1.00 0.00 C ATOM 405 O LEU A 27 1.715 0.518 -6.176 1.00 0.00 O ATOM 406 CB LEU A 27 -0.283 0.210 -8.817 1.00 0.00 C ATOM 407 CG LEU A 27 -1.440 -0.339 -9.652 1.00 0.00 C ATOM 408 CD1 LEU A 27 -1.152 -1.767 -10.090 1.00 0.00 C ATOM 409 CD2 LEU A 27 -2.742 -0.271 -8.868 1.00 0.00 C ATOM 0 H LEU A 27 -0.588 1.614 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.691 -1.231 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.333 1.299 -8.835 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.653 -0.074 -9.298 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.544 0.278 -10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.987 -2.141 -10.683 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.242 -1.787 -10.690 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.020 -2.398 -9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.555 -0.666 -9.478 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.650 -0.864 -7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.955 0.765 -8.606 1.00 0.00 H new ATOM 421 N THR A 28 1.894 -1.414 -7.315 1.00 0.00 N ATOM 422 CA THR A 28 3.287 -1.630 -6.946 1.00 0.00 C ATOM 423 C THR A 28 4.142 -1.926 -8.172 1.00 0.00 C ATOM 424 O THR A 28 3.655 -2.474 -9.162 1.00 0.00 O ATOM 425 CB THR A 28 3.428 -2.791 -5.943 1.00 0.00 C ATOM 426 OG1 THR A 28 2.142 -3.150 -5.425 1.00 0.00 O ATOM 427 CG2 THR A 28 4.353 -2.407 -4.798 1.00 0.00 C ATOM 0 H THR A 28 1.498 -2.141 -7.911 1.00 0.00 H new ATOM 0 HA THR A 28 3.636 -0.710 -6.478 1.00 0.00 H new ATOM 0 HB THR A 28 3.859 -3.644 -6.467 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.615 -3.583 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.437 -3.242 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.339 -2.163 -5.193 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.946 -1.540 -4.277 1.00 0.00 H new ATOM 435 N ILE A 29 5.417 -1.562 -8.100 1.00 0.00 N ATOM 436 CA ILE A 29 6.340 -1.790 -9.205 1.00 0.00 C ATOM 437 C ILE A 29 7.572 -2.560 -8.742 1.00 0.00 C ATOM 438 O ILE A 29 8.035 -2.388 -7.615 1.00 0.00 O ATOM 439 CB ILE A 29 6.788 -0.465 -9.848 1.00 0.00 C ATOM 440 CG1 ILE A 29 5.584 0.278 -10.430 1.00 0.00 C ATOM 441 CG2 ILE A 29 7.829 -0.724 -10.927 1.00 0.00 C ATOM 442 CD1 ILE A 29 4.903 -0.464 -11.558 1.00 0.00 C ATOM 0 H ILE A 29 5.835 -1.108 -7.288 1.00 0.00 H new ATOM 0 HA ILE A 29 5.803 -2.380 -9.947 1.00 0.00 H new ATOM 0 HB ILE A 29 7.240 0.160 -9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.860 0.458 -9.635 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.910 1.253 -10.792 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.135 0.223 -11.372 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.696 -1.215 -10.485 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.402 -1.366 -11.698 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.059 0.122 -11.921 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.612 -0.621 -12.371 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.546 -1.428 -11.196 1.00 0.00 H new ATOM 454 N GLN A 30 8.099 -3.407 -9.620 1.00 0.00 N ATOM 455 CA GLN A 30 9.278 -4.203 -9.301 1.00 0.00 C ATOM 456 C GLN A 30 10.390 -3.959 -10.317 1.00 0.00 C ATOM 457 O GLN A 30 10.335 -4.455 -11.442 1.00 0.00 O ATOM 458 CB GLN A 30 8.922 -5.690 -9.265 1.00 0.00 C ATOM 459 CG GLN A 30 8.733 -6.236 -7.859 1.00 0.00 C ATOM 460 CD GLN A 30 9.750 -7.304 -7.506 1.00 0.00 C ATOM 461 OE1 GLN A 30 10.108 -8.136 -8.340 1.00 0.00 O ATOM 462 NE2 GLN A 30 10.221 -7.286 -6.264 1.00 0.00 N ATOM 0 H GLN A 30 7.728 -3.560 -10.558 1.00 0.00 H new ATOM 0 HA GLN A 30 9.635 -3.899 -8.317 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.006 -5.850 -9.834 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.709 -6.256 -9.763 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.807 -5.418 -7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.729 -6.651 -7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.896 -6.578 -5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.907 -7.980 -5.969 1.00 0.00 H new ATOM 471 N GLN A 31 11.397 -3.192 -9.911 1.00 0.00 N ATOM 472 CA GLN A 31 12.521 -2.882 -10.787 1.00 0.00 C ATOM 473 C GLN A 31 13.579 -3.979 -10.723 1.00 0.00 C ATOM 474 O GLN A 31 14.433 -3.982 -9.835 1.00 0.00 O ATOM 475 CB GLN A 31 13.140 -1.538 -10.401 1.00 0.00 C ATOM 476 CG GLN A 31 13.121 -0.514 -11.524 1.00 0.00 C ATOM 477 CD GLN A 31 14.322 0.410 -11.493 1.00 0.00 C ATOM 478 OE1 GLN A 31 14.737 0.871 -10.429 1.00 0.00 O ATOM 479 NE2 GLN A 31 14.887 0.687 -12.662 1.00 0.00 N ATOM 0 H GLN A 31 11.458 -2.774 -8.982 1.00 0.00 H new ATOM 0 HA GLN A 31 12.147 -2.822 -11.809 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.603 -1.134 -9.543 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.171 -1.700 -10.085 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.091 -1.032 -12.482 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.209 0.079 -11.454 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.510 0.283 -13.519 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.698 1.304 -12.703 1.00 0.00 H new ATOM 536 N SER A 35 23.140 -8.123 -13.253 1.00 0.00 N ATOM 537 CA SER A 35 24.301 -7.785 -14.069 1.00 0.00 C ATOM 538 C SER A 35 24.926 -9.040 -14.670 1.00 0.00 C ATOM 539 O SER A 35 25.627 -9.787 -13.987 1.00 0.00 O ATOM 540 CB SER A 35 25.339 -7.036 -13.231 1.00 0.00 C ATOM 541 OG SER A 35 24.740 -6.434 -12.096 1.00 0.00 O ATOM 0 HA SER A 35 23.968 -7.141 -14.882 1.00 0.00 H new ATOM 0 HB2 SER A 35 26.119 -7.726 -12.911 1.00 0.00 H new ATOM 0 HB3 SER A 35 25.820 -6.271 -13.841 1.00 0.00 H new ATOM 0 HG SER A 35 23.870 -6.852 -11.925 1.00 0.00 H new ATOM 547 N ASP A 36 24.667 -9.266 -15.953 1.00 0.00 N ATOM 548 CA ASP A 36 25.204 -10.429 -16.649 1.00 0.00 C ATOM 549 C ASP A 36 26.588 -10.132 -17.217 1.00 0.00 C ATOM 550 O ASP A 36 26.775 -9.159 -17.949 1.00 0.00 O ATOM 551 CB ASP A 36 24.260 -10.859 -17.773 1.00 0.00 C ATOM 552 CG ASP A 36 22.947 -11.406 -17.248 1.00 0.00 C ATOM 553 OD1 ASP A 36 22.649 -11.191 -16.054 1.00 0.00 O ATOM 554 OD2 ASP A 36 22.216 -12.048 -18.031 1.00 0.00 O ATOM 0 H ASP A 36 24.088 -8.658 -16.533 1.00 0.00 H new ATOM 0 HA ASP A 36 25.293 -11.242 -15.929 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.061 -10.007 -18.423 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.749 -11.618 -18.384 1.00 0.00 H new ATOM 559 N VAL A 37 27.557 -10.975 -16.875 1.00 0.00 N ATOM 560 CA VAL A 37 28.924 -10.803 -17.350 1.00 0.00 C ATOM 561 C VAL A 37 29.215 -11.722 -18.531 1.00 0.00 C ATOM 562 O VAL A 37 29.123 -12.944 -18.417 1.00 0.00 O ATOM 563 CB VAL A 37 29.947 -11.082 -16.233 1.00 0.00 C ATOM 564 CG1 VAL A 37 31.332 -10.610 -16.646 1.00 0.00 C ATOM 565 CG2 VAL A 37 29.513 -10.416 -14.936 1.00 0.00 C ATOM 0 H VAL A 37 27.420 -11.785 -16.270 1.00 0.00 H new ATOM 0 HA VAL A 37 29.019 -9.765 -17.668 1.00 0.00 H new ATOM 0 HB VAL A 37 29.992 -12.158 -16.066 1.00 0.00 H new ATOM 0 HG11 VAL A 37 32.041 -10.816 -15.844 1.00 0.00 H new ATOM 0 HG12 VAL A 37 31.642 -11.137 -17.548 1.00 0.00 H new ATOM 0 HG13 VAL A 37 31.308 -9.538 -16.842 1.00 0.00 H new ATOM 0 HG21 VAL A 37 30.247 -10.623 -14.157 1.00 0.00 H new ATOM 0 HG22 VAL A 37 29.439 -9.339 -15.087 1.00 0.00 H new ATOM 0 HG23 VAL A 37 28.542 -10.808 -14.633 1.00 0.00 H new ATOM 575 N TRP A 38 29.568 -11.125 -19.664 1.00 0.00 N ATOM 576 CA TRP A 38 29.873 -11.891 -20.868 1.00 0.00 C ATOM 577 C TRP A 38 31.215 -11.468 -21.456 1.00 0.00 C ATOM 578 O TRP A 38 31.594 -10.298 -21.386 1.00 0.00 O ATOM 579 CB TRP A 38 28.767 -11.708 -21.908 1.00 0.00 C ATOM 580 CG TRP A 38 28.001 -10.431 -21.742 1.00 0.00 C ATOM 581 CD1 TRP A 38 27.267 -10.050 -20.655 1.00 0.00 C ATOM 582 CD2 TRP A 38 27.892 -9.367 -22.695 1.00 0.00 C ATOM 583 NE1 TRP A 38 26.709 -8.814 -20.874 1.00 0.00 N ATOM 584 CE2 TRP A 38 27.077 -8.373 -22.118 1.00 0.00 C ATOM 585 CE3 TRP A 38 28.404 -9.157 -23.978 1.00 0.00 C ATOM 586 CZ2 TRP A 38 26.764 -7.190 -22.781 1.00 0.00 C ATOM 587 CZ3 TRP A 38 28.092 -7.982 -24.635 1.00 0.00 C ATOM 588 CH2 TRP A 38 27.280 -7.011 -24.036 1.00 0.00 C ATOM 0 H TRP A 38 29.650 -10.114 -19.775 1.00 0.00 H new ATOM 0 HA TRP A 38 29.933 -12.944 -20.593 1.00 0.00 H new ATOM 0 HB2 TRP A 38 29.208 -11.732 -22.905 1.00 0.00 H new ATOM 0 HB3 TRP A 38 28.076 -12.549 -21.845 1.00 0.00 H new ATOM 0 HD1 TRP A 38 27.143 -10.635 -19.755 1.00 0.00 H new ATOM 0 HE1 TRP A 38 26.117 -8.307 -20.217 1.00 0.00 H new ATOM 0 HE3 TRP A 38 29.032 -9.899 -24.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 26.137 -6.440 -22.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 28.481 -7.810 -25.628 1.00 0.00 H new ATOM 0 HH2 TRP A 38 27.056 -6.102 -24.575 1.00 0.00 H new ATOM 599 N LEU A 39 31.930 -12.426 -22.035 1.00 0.00 N ATOM 600 CA LEU A 39 33.231 -12.153 -22.636 1.00 0.00 C ATOM 601 C LEU A 39 33.218 -12.467 -24.128 1.00 0.00 C ATOM 602 O LEU A 39 32.456 -13.317 -24.587 1.00 0.00 O ATOM 603 CB LEU A 39 34.319 -12.973 -21.940 1.00 0.00 C ATOM 604 CG LEU A 39 35.685 -12.995 -22.626 1.00 0.00 C ATOM 605 CD1 LEU A 39 36.338 -11.623 -22.561 1.00 0.00 C ATOM 606 CD2 LEU A 39 36.584 -14.046 -21.991 1.00 0.00 C ATOM 0 H LEU A 39 31.631 -13.399 -22.101 1.00 0.00 H new ATOM 0 HA LEU A 39 33.447 -11.092 -22.509 1.00 0.00 H new ATOM 0 HB2 LEU A 39 34.448 -12.585 -20.930 1.00 0.00 H new ATOM 0 HB3 LEU A 39 33.966 -14.000 -21.844 1.00 0.00 H new ATOM 0 HG LEU A 39 35.539 -13.256 -23.674 1.00 0.00 H new ATOM 0 HD11 LEU A 39 37.309 -11.659 -23.054 1.00 0.00 H new ATOM 0 HD12 LEU A 39 35.702 -10.893 -23.063 1.00 0.00 H new ATOM 0 HD13 LEU A 39 36.471 -11.332 -21.519 1.00 0.00 H new ATOM 0 HD21 LEU A 39 37.552 -14.047 -22.492 1.00 0.00 H new ATOM 0 HD22 LEU A 39 36.722 -13.816 -20.935 1.00 0.00 H new ATOM 0 HD23 LEU A 39 36.122 -15.028 -22.091 1.00 0.00 H new ATOM 618 N ALA A 40 34.069 -11.776 -24.881 1.00 0.00 N ATOM 619 CA ALA A 40 34.158 -11.985 -26.320 1.00 0.00 C ATOM 620 C ALA A 40 35.391 -12.807 -26.681 1.00 0.00 C ATOM 621 O ALA A 40 35.408 -13.508 -27.693 1.00 0.00 O ATOM 622 CB ALA A 40 34.182 -10.648 -27.047 1.00 0.00 C ATOM 0 H ALA A 40 34.706 -11.067 -24.517 1.00 0.00 H new ATOM 0 HA ALA A 40 33.276 -12.543 -26.636 1.00 0.00 H new ATOM 0 HB1 ALA A 40 34.249 -10.819 -28.121 1.00 0.00 H new ATOM 0 HB2 ALA A 40 33.269 -10.096 -26.823 1.00 0.00 H new ATOM 0 HB3 ALA A 40 35.045 -10.070 -26.717 1.00 0.00 H new ATOM 628 N ASP A 41 36.421 -12.716 -25.847 1.00 0.00 N ATOM 629 CA ASP A 41 37.659 -13.451 -26.077 1.00 0.00 C ATOM 630 C ASP A 41 37.598 -14.833 -25.434 1.00 0.00 C ATOM 631 O ASP A 41 38.004 -15.011 -24.286 1.00 0.00 O ATOM 632 CB ASP A 41 38.852 -12.670 -25.525 1.00 0.00 C ATOM 633 CG ASP A 41 40.179 -13.221 -26.010 1.00 0.00 C ATOM 634 OD1 ASP A 41 40.368 -14.454 -25.947 1.00 0.00 O ATOM 635 OD2 ASP A 41 41.029 -12.419 -26.451 1.00 0.00 O ATOM 0 H ASP A 41 36.423 -12.140 -25.005 1.00 0.00 H new ATOM 0 HA ASP A 41 37.784 -13.576 -27.153 1.00 0.00 H new ATOM 0 HB2 ASP A 41 38.766 -11.624 -25.821 1.00 0.00 H new ATOM 0 HB3 ASP A 41 38.827 -12.696 -24.436 1.00 0.00 H new ATOM 640 N GLU A 42 37.087 -15.807 -26.181 1.00 0.00 N ATOM 641 CA GLU A 42 36.971 -17.172 -25.682 1.00 0.00 C ATOM 642 C GLU A 42 38.288 -17.640 -25.068 1.00 0.00 C ATOM 643 O GLU A 42 38.304 -18.256 -24.002 1.00 0.00 O ATOM 644 CB GLU A 42 36.556 -18.118 -26.810 1.00 0.00 C ATOM 645 CG GLU A 42 35.239 -17.742 -27.466 1.00 0.00 C ATOM 646 CD GLU A 42 35.173 -18.158 -28.923 1.00 0.00 C ATOM 647 OE1 GLU A 42 35.488 -19.329 -29.221 1.00 0.00 O ATOM 648 OE2 GLU A 42 34.805 -17.312 -29.765 1.00 0.00 O ATOM 0 H GLU A 42 36.747 -15.676 -27.134 1.00 0.00 H new ATOM 0 HA GLU A 42 36.204 -17.185 -24.908 1.00 0.00 H new ATOM 0 HB2 GLU A 42 37.339 -18.131 -27.568 1.00 0.00 H new ATOM 0 HB3 GLU A 42 36.479 -19.130 -26.414 1.00 0.00 H new ATOM 0 HG2 GLU A 42 34.419 -18.210 -26.921 1.00 0.00 H new ATOM 0 HG3 GLU A 42 35.096 -16.664 -27.393 1.00 0.00 H new ATOM 655 N SER A 43 39.390 -17.345 -25.750 1.00 0.00 N ATOM 656 CA SER A 43 40.711 -17.739 -25.276 1.00 0.00 C ATOM 657 C SER A 43 40.941 -17.258 -23.846 1.00 0.00 C ATOM 658 O SER A 43 41.593 -17.934 -23.051 1.00 0.00 O ATOM 659 CB SER A 43 41.796 -17.175 -26.196 1.00 0.00 C ATOM 660 OG SER A 43 41.358 -17.150 -27.544 1.00 0.00 O ATOM 0 H SER A 43 39.394 -16.834 -26.633 1.00 0.00 H new ATOM 0 HA SER A 43 40.764 -18.828 -25.288 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.060 -16.167 -25.877 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.698 -17.781 -26.114 1.00 0.00 H new ATOM 0 HG SER A 43 42.068 -16.784 -28.112 1.00 0.00 H new ATOM 666 N GLN A 44 40.400 -16.086 -23.529 1.00 0.00 N ATOM 667 CA GLN A 44 40.547 -15.514 -22.196 1.00 0.00 C ATOM 668 C GLN A 44 39.435 -15.998 -21.271 1.00 0.00 C ATOM 669 O GLN A 44 39.517 -15.844 -20.052 1.00 0.00 O ATOM 670 CB GLN A 44 40.536 -13.986 -22.270 1.00 0.00 C ATOM 671 CG GLN A 44 41.895 -13.355 -22.009 1.00 0.00 C ATOM 672 CD GLN A 44 43.021 -14.084 -22.715 1.00 0.00 C ATOM 673 OE1 GLN A 44 43.697 -14.926 -22.124 1.00 0.00 O ATOM 674 NE2 GLN A 44 43.229 -13.763 -23.987 1.00 0.00 N ATOM 0 H GLN A 44 39.857 -15.515 -24.176 1.00 0.00 H new ATOM 0 HA GLN A 44 41.503 -15.844 -21.789 1.00 0.00 H new ATOM 0 HB2 GLN A 44 40.186 -13.681 -23.256 1.00 0.00 H new ATOM 0 HB3 GLN A 44 39.820 -13.600 -21.544 1.00 0.00 H new ATOM 0 HG2 GLN A 44 41.878 -12.316 -22.337 1.00 0.00 H new ATOM 0 HG3 GLN A 44 42.088 -13.348 -20.936 1.00 0.00 H new ATOM 0 HE21 GLN A 44 42.644 -13.059 -24.437 1.00 0.00 H new ATOM 0 HE22 GLN A 44 43.973 -14.221 -24.513 1.00 0.00 H new ATOM 683 N ALA A 45 38.396 -16.583 -21.858 1.00 0.00 N ATOM 684 CA ALA A 45 37.268 -17.090 -21.086 1.00 0.00 C ATOM 685 C ALA A 45 37.738 -18.033 -19.983 1.00 0.00 C ATOM 686 O ALA A 45 37.071 -18.187 -18.961 1.00 0.00 O ATOM 687 CB ALA A 45 36.278 -17.797 -22.000 1.00 0.00 C ATOM 0 H ALA A 45 38.312 -16.718 -22.866 1.00 0.00 H new ATOM 0 HA ALA A 45 36.770 -16.242 -20.616 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.441 -18.170 -21.410 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.910 -17.096 -22.749 1.00 0.00 H new ATOM 0 HB3 ALA A 45 36.773 -18.632 -22.496 1.00 0.00 H new ATOM 693 N GLU A 46 38.890 -18.660 -20.198 1.00 0.00 N ATOM 694 CA GLU A 46 39.447 -19.589 -19.221 1.00 0.00 C ATOM 695 C GLU A 46 40.124 -18.836 -18.079 1.00 0.00 C ATOM 696 O GLU A 46 39.806 -19.046 -16.908 1.00 0.00 O ATOM 697 CB GLU A 46 40.451 -20.528 -19.892 1.00 0.00 C ATOM 698 CG GLU A 46 39.831 -21.425 -20.950 1.00 0.00 C ATOM 699 CD GLU A 46 40.843 -22.354 -21.593 1.00 0.00 C ATOM 700 OE1 GLU A 46 41.908 -21.864 -22.024 1.00 0.00 O ATOM 701 OE2 GLU A 46 40.570 -23.571 -21.665 1.00 0.00 O ATOM 0 H GLU A 46 39.455 -18.542 -21.039 1.00 0.00 H new ATOM 0 HA GLU A 46 38.627 -20.178 -18.810 1.00 0.00 H new ATOM 0 HB2 GLU A 46 41.242 -19.934 -20.349 1.00 0.00 H new ATOM 0 HB3 GLU A 46 40.920 -21.150 -19.130 1.00 0.00 H new ATOM 0 HG2 GLU A 46 39.035 -22.017 -20.498 1.00 0.00 H new ATOM 0 HG3 GLU A 46 39.370 -20.807 -21.720 1.00 0.00 H new ATOM 708 N ARG A 47 41.058 -17.958 -18.428 1.00 0.00 N ATOM 709 CA ARG A 47 41.781 -17.174 -17.434 1.00 0.00 C ATOM 710 C ARG A 47 40.815 -16.382 -16.558 1.00 0.00 C ATOM 711 O ARG A 47 41.046 -16.207 -15.362 1.00 0.00 O ATOM 712 CB ARG A 47 42.763 -16.222 -18.119 1.00 0.00 C ATOM 713 CG ARG A 47 42.136 -14.905 -18.546 1.00 0.00 C ATOM 714 CD ARG A 47 42.253 -13.852 -17.454 1.00 0.00 C ATOM 715 NE ARG A 47 43.498 -13.096 -17.554 1.00 0.00 N ATOM 716 CZ ARG A 47 44.019 -12.402 -16.549 1.00 0.00 C ATOM 717 NH1 ARG A 47 43.406 -12.369 -15.374 1.00 0.00 N ATOM 718 NH2 ARG A 47 45.156 -11.739 -16.717 1.00 0.00 N ATOM 0 H ARG A 47 41.332 -17.771 -19.393 1.00 0.00 H new ATOM 0 HA ARG A 47 42.337 -17.864 -16.799 1.00 0.00 H new ATOM 0 HB2 ARG A 47 43.591 -16.017 -17.440 1.00 0.00 H new ATOM 0 HB3 ARG A 47 43.183 -16.716 -18.995 1.00 0.00 H new ATOM 0 HG2 ARG A 47 42.623 -14.546 -19.453 1.00 0.00 H new ATOM 0 HG3 ARG A 47 41.085 -15.063 -18.790 1.00 0.00 H new ATOM 0 HD2 ARG A 47 41.407 -13.168 -17.518 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.199 -14.334 -16.478 1.00 0.00 H new ATOM 0 HE ARG A 47 43.995 -13.101 -18.445 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.532 -12.878 -15.240 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.808 -11.835 -14.604 1.00 0.00 H new ATOM 0 HH21 ARG A 47 45.631 -11.762 -17.619 1.00 0.00 H new ATOM 0 HH22 ARG A 47 45.555 -11.206 -15.944 1.00 0.00 H new ATOM 732 N VAL A 48 39.731 -15.905 -17.163 1.00 0.00 N ATOM 733 CA VAL A 48 38.729 -15.132 -16.439 1.00 0.00 C ATOM 734 C VAL A 48 37.879 -16.032 -15.549 1.00 0.00 C ATOM 735 O VAL A 48 37.557 -15.676 -14.415 1.00 0.00 O ATOM 736 CB VAL A 48 37.808 -14.364 -17.404 1.00 0.00 C ATOM 737 CG1 VAL A 48 38.608 -13.364 -18.225 1.00 0.00 C ATOM 738 CG2 VAL A 48 37.060 -15.331 -18.309 1.00 0.00 C ATOM 0 H VAL A 48 39.525 -16.041 -18.153 1.00 0.00 H new ATOM 0 HA VAL A 48 39.268 -14.417 -15.818 1.00 0.00 H new ATOM 0 HB VAL A 48 37.075 -13.811 -16.816 1.00 0.00 H new ATOM 0 HG11 VAL A 48 37.940 -12.831 -18.901 1.00 0.00 H new ATOM 0 HG12 VAL A 48 39.093 -12.651 -17.558 1.00 0.00 H new ATOM 0 HG13 VAL A 48 39.365 -13.892 -18.805 1.00 0.00 H new ATOM 0 HG21 VAL A 48 36.414 -14.771 -18.985 1.00 0.00 H new ATOM 0 HG22 VAL A 48 37.775 -15.913 -18.890 1.00 0.00 H new ATOM 0 HG23 VAL A 48 36.454 -16.003 -17.701 1.00 0.00 H new ATOM 748 N ARG A 49 37.517 -17.200 -16.071 1.00 0.00 N ATOM 749 CA ARG A 49 36.703 -18.151 -15.324 1.00 0.00 C ATOM 750 C ARG A 49 37.386 -18.543 -14.017 1.00 0.00 C ATOM 751 O ARG A 49 36.741 -18.641 -12.973 1.00 0.00 O ATOM 752 CB ARG A 49 36.437 -19.399 -16.167 1.00 0.00 C ATOM 753 CG ARG A 49 35.051 -19.430 -16.790 1.00 0.00 C ATOM 754 CD ARG A 49 35.032 -20.255 -18.067 1.00 0.00 C ATOM 755 NE ARG A 49 33.993 -21.281 -18.040 1.00 0.00 N ATOM 756 CZ ARG A 49 33.612 -21.969 -19.111 1.00 0.00 C ATOM 757 NH1 ARG A 49 34.181 -21.741 -20.286 1.00 0.00 N ATOM 758 NH2 ARG A 49 32.659 -22.886 -19.007 1.00 0.00 N ATOM 0 H ARG A 49 37.775 -17.510 -17.008 1.00 0.00 H new ATOM 0 HA ARG A 49 35.753 -17.671 -15.088 1.00 0.00 H new ATOM 0 HB2 ARG A 49 37.183 -19.458 -16.959 1.00 0.00 H new ATOM 0 HB3 ARG A 49 36.565 -20.283 -15.542 1.00 0.00 H new ATOM 0 HG2 ARG A 49 34.340 -19.846 -16.076 1.00 0.00 H new ATOM 0 HG3 ARG A 49 34.726 -18.413 -17.008 1.00 0.00 H new ATOM 0 HD2 ARG A 49 34.870 -19.597 -18.921 1.00 0.00 H new ATOM 0 HD3 ARG A 49 36.004 -20.727 -18.208 1.00 0.00 H new ATOM 0 HE ARG A 49 33.535 -21.480 -17.151 1.00 0.00 H new ATOM 0 HH11 ARG A 49 34.913 -21.036 -20.370 1.00 0.00 H new ATOM 0 HH12 ARG A 49 33.887 -22.271 -21.107 1.00 0.00 H new ATOM 0 HH21 ARG A 49 32.218 -23.063 -18.104 1.00 0.00 H new ATOM 0 HH22 ARG A 49 32.367 -23.414 -19.830 1.00 0.00 H new ATOM 772 N ALA A 50 38.695 -18.766 -14.083 1.00 0.00 N ATOM 773 CA ALA A 50 39.465 -19.145 -12.905 1.00 0.00 C ATOM 774 C ALA A 50 39.598 -17.976 -11.935 1.00 0.00 C ATOM 775 O ALA A 50 39.213 -18.077 -10.771 1.00 0.00 O ATOM 776 CB ALA A 50 40.840 -19.652 -13.314 1.00 0.00 C ATOM 0 H ALA A 50 39.244 -18.691 -14.940 1.00 0.00 H new ATOM 0 HA ALA A 50 38.930 -19.947 -12.395 1.00 0.00 H new ATOM 0 HB1 ALA A 50 41.404 -19.931 -12.424 1.00 0.00 H new ATOM 0 HB2 ALA A 50 40.729 -20.522 -13.962 1.00 0.00 H new ATOM 0 HB3 ALA A 50 41.373 -18.866 -13.850 1.00 0.00 H new ATOM 782 N GLU A 51 40.146 -16.867 -12.424 1.00 0.00 N ATOM 783 CA GLU A 51 40.330 -15.679 -11.599 1.00 0.00 C ATOM 784 C GLU A 51 39.008 -15.236 -10.979 1.00 0.00 C ATOM 785 O GLU A 51 38.945 -14.902 -9.795 1.00 0.00 O ATOM 786 CB GLU A 51 40.924 -14.540 -12.430 1.00 0.00 C ATOM 787 CG GLU A 51 42.367 -14.776 -12.844 1.00 0.00 C ATOM 788 CD GLU A 51 43.190 -15.420 -11.746 1.00 0.00 C ATOM 789 OE1 GLU A 51 43.608 -14.697 -10.817 1.00 0.00 O ATOM 790 OE2 GLU A 51 43.417 -16.646 -11.815 1.00 0.00 O ATOM 0 H GLU A 51 40.470 -16.767 -13.386 1.00 0.00 H new ATOM 0 HA GLU A 51 41.022 -15.931 -10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 51 40.317 -14.399 -13.324 1.00 0.00 H new ATOM 0 HB3 GLU A 51 40.866 -13.615 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.388 -15.412 -13.729 1.00 0.00 H new ATOM 0 HG3 GLU A 51 42.821 -13.825 -13.123 1.00 0.00 H new ATOM 797 N LEU A 52 37.954 -15.236 -11.788 1.00 0.00 N ATOM 798 CA LEU A 52 36.632 -14.833 -11.321 1.00 0.00 C ATOM 799 C LEU A 52 36.149 -15.746 -10.198 1.00 0.00 C ATOM 800 O LEU A 52 35.734 -15.277 -9.139 1.00 0.00 O ATOM 801 CB LEU A 52 35.631 -14.857 -12.478 1.00 0.00 C ATOM 802 CG LEU A 52 34.200 -14.441 -12.137 1.00 0.00 C ATOM 803 CD1 LEU A 52 33.812 -13.187 -12.903 1.00 0.00 C ATOM 804 CD2 LEU A 52 33.229 -15.574 -12.437 1.00 0.00 C ATOM 0 H LEU A 52 37.989 -15.510 -12.770 1.00 0.00 H new ATOM 0 HA LEU A 52 36.706 -13.817 -10.933 1.00 0.00 H new ATOM 0 HB2 LEU A 52 36.001 -14.200 -13.266 1.00 0.00 H new ATOM 0 HB3 LEU A 52 35.606 -15.866 -12.890 1.00 0.00 H new ATOM 0 HG LEU A 52 34.151 -14.220 -11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 52 32.790 -12.906 -12.647 1.00 0.00 H new ATOM 0 HD12 LEU A 52 34.489 -12.375 -12.638 1.00 0.00 H new ATOM 0 HD13 LEU A 52 33.878 -13.380 -13.974 1.00 0.00 H new ATOM 0 HD21 LEU A 52 32.215 -15.260 -12.188 1.00 0.00 H new ATOM 0 HD22 LEU A 52 33.281 -15.827 -13.496 1.00 0.00 H new ATOM 0 HD23 LEU A 52 33.494 -16.448 -11.842 1.00 0.00 H new ATOM 816 N ALA A 53 36.210 -17.052 -10.437 1.00 0.00 N ATOM 817 CA ALA A 53 35.784 -18.031 -9.445 1.00 0.00 C ATOM 818 C ALA A 53 36.559 -17.865 -8.142 1.00 0.00 C ATOM 819 O ALA A 53 36.034 -18.126 -7.059 1.00 0.00 O ATOM 820 CB ALA A 53 35.956 -19.442 -9.987 1.00 0.00 C ATOM 0 H ALA A 53 36.550 -17.456 -11.309 1.00 0.00 H new ATOM 0 HA ALA A 53 34.728 -17.861 -9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 53 35.634 -20.162 -9.235 1.00 0.00 H new ATOM 0 HB2 ALA A 53 35.353 -19.562 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 53 37.005 -19.614 -10.228 1.00 0.00 H new ATOM 826 N ARG A 54 37.810 -17.430 -8.254 1.00 0.00 N ATOM 827 CA ARG A 54 38.657 -17.232 -7.085 1.00 0.00 C ATOM 828 C ARG A 54 38.337 -15.906 -6.400 1.00 0.00 C ATOM 829 O ARG A 54 38.543 -15.752 -5.196 1.00 0.00 O ATOM 830 CB ARG A 54 40.133 -17.267 -7.486 1.00 0.00 C ATOM 831 CG ARG A 54 40.658 -18.668 -7.757 1.00 0.00 C ATOM 832 CD ARG A 54 41.952 -18.634 -8.554 1.00 0.00 C ATOM 833 NE ARG A 54 42.927 -19.600 -8.056 1.00 0.00 N ATOM 834 CZ ARG A 54 43.648 -19.416 -6.955 1.00 0.00 C ATOM 835 NH1 ARG A 54 43.503 -18.308 -6.242 1.00 0.00 N ATOM 836 NH2 ARG A 54 44.515 -20.342 -6.566 1.00 0.00 N ATOM 0 H ARG A 54 38.259 -17.208 -9.143 1.00 0.00 H new ATOM 0 HA ARG A 54 38.459 -18.042 -6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.273 -16.657 -8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 54 40.727 -16.813 -6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.825 -19.184 -6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.908 -19.239 -8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 54 41.738 -18.843 -9.602 1.00 0.00 H new ATOM 0 HD3 ARG A 54 42.379 -17.632 -8.509 1.00 0.00 H new ATOM 0 HE ARG A 54 43.062 -20.463 -8.582 1.00 0.00 H new ATOM 0 HH11 ARG A 54 42.837 -17.595 -6.538 1.00 0.00 H new ATOM 0 HH12 ARG A 54 44.057 -18.169 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 54 44.629 -21.196 -7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 54 45.068 -20.200 -5.721 1.00 0.00 H new ATOM 850 N PHE A 55 37.832 -14.952 -7.175 1.00 0.00 N ATOM 851 CA PHE A 55 37.485 -13.639 -6.644 1.00 0.00 C ATOM 852 C PHE A 55 36.107 -13.665 -5.990 1.00 0.00 C ATOM 853 O PHE A 55 35.888 -13.039 -4.951 1.00 0.00 O ATOM 854 CB PHE A 55 37.514 -12.591 -7.758 1.00 0.00 C ATOM 855 CG PHE A 55 37.706 -11.188 -7.257 1.00 0.00 C ATOM 856 CD1 PHE A 55 38.800 -10.864 -6.471 1.00 0.00 C ATOM 857 CD2 PHE A 55 36.794 -10.194 -7.572 1.00 0.00 C ATOM 858 CE1 PHE A 55 38.979 -9.574 -6.008 1.00 0.00 C ATOM 859 CE2 PHE A 55 36.968 -8.903 -7.112 1.00 0.00 C ATOM 860 CZ PHE A 55 38.063 -8.592 -6.330 1.00 0.00 C ATOM 0 H PHE A 55 37.654 -15.064 -8.173 1.00 0.00 H new ATOM 0 HA PHE A 55 38.223 -13.374 -5.887 1.00 0.00 H new ATOM 0 HB2 PHE A 55 38.318 -12.833 -8.453 1.00 0.00 H new ATOM 0 HB3 PHE A 55 36.581 -12.643 -8.319 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.521 -11.627 -6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 55 35.937 -10.431 -8.185 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.835 -9.334 -5.395 1.00 0.00 H new ATOM 0 HE2 PHE A 55 36.249 -8.138 -7.364 1.00 0.00 H new ATOM 0 HZ PHE A 55 38.203 -7.583 -5.971 1.00 0.00 H new ATOM 989 N MET B 1 31.000 -14.925 -28.358 1.00 0.00 N ATOM 990 CA MET B 1 30.694 -14.390 -27.036 1.00 0.00 C ATOM 991 C MET B 1 30.321 -15.510 -26.070 1.00 0.00 C ATOM 992 O MET B 1 29.367 -16.253 -26.303 1.00 0.00 O ATOM 993 CB MET B 1 29.551 -13.377 -27.125 1.00 0.00 C ATOM 994 CG MET B 1 29.888 -12.153 -27.962 1.00 0.00 C ATOM 995 SD MET B 1 29.776 -10.618 -27.023 1.00 0.00 S ATOM 996 CE MET B 1 30.925 -10.951 -25.690 1.00 0.00 C ATOM 0 H1 MET B 1 31.591 -14.246 -28.879 1.00 0.00 H new ATOM 0 H2 MET B 1 31.512 -15.825 -28.258 1.00 0.00 H new ATOM 0 H3 MET B 1 30.115 -15.086 -28.881 1.00 0.00 H new ATOM 0 HA MET B 1 31.586 -13.889 -26.658 1.00 0.00 H new ATOM 0 HB2 MET B 1 28.674 -13.867 -27.549 1.00 0.00 H new ATOM 0 HB3 MET B 1 29.282 -13.056 -26.119 1.00 0.00 H new ATOM 0 HG2 MET B 1 30.897 -12.257 -28.362 1.00 0.00 H new ATOM 0 HG3 MET B 1 29.211 -12.103 -28.815 1.00 0.00 H new ATOM 0 HE1 MET B 1 31.414 -10.024 -25.391 1.00 0.00 H new ATOM 0 HE2 MET B 1 30.385 -11.368 -24.840 1.00 0.00 H new ATOM 0 HE3 MET B 1 31.677 -11.665 -26.027 1.00 0.00 H new ATOM 1006 N LEU B 2 31.080 -15.626 -24.986 1.00 0.00 N ATOM 1007 CA LEU B 2 30.829 -16.657 -23.984 1.00 0.00 C ATOM 1008 C LEU B 2 30.541 -16.033 -22.622 1.00 0.00 C ATOM 1009 O LEU B 2 31.362 -15.295 -22.080 1.00 0.00 O ATOM 1010 CB LEU B 2 32.030 -17.599 -23.881 1.00 0.00 C ATOM 1011 CG LEU B 2 31.707 -19.092 -23.804 1.00 0.00 C ATOM 1012 CD1 LEU B 2 32.984 -19.909 -23.689 1.00 0.00 C ATOM 1013 CD2 LEU B 2 30.781 -19.377 -22.631 1.00 0.00 C ATOM 0 H LEU B 2 31.874 -15.020 -24.778 1.00 0.00 H new ATOM 0 HA LEU B 2 29.953 -17.226 -24.296 1.00 0.00 H new ATOM 0 HB2 LEU B 2 32.673 -17.431 -24.745 1.00 0.00 H new ATOM 0 HB3 LEU B 2 32.606 -17.326 -22.997 1.00 0.00 H new ATOM 0 HG LEU B 2 31.197 -19.382 -24.722 1.00 0.00 H new ATOM 0 HD11 LEU B 2 32.734 -20.969 -23.635 1.00 0.00 H new ATOM 0 HD12 LEU B 2 33.612 -19.728 -24.561 1.00 0.00 H new ATOM 0 HD13 LEU B 2 33.523 -19.617 -22.788 1.00 0.00 H new ATOM 0 HD21 LEU B 2 30.562 -20.444 -22.591 1.00 0.00 H new ATOM 0 HD22 LEU B 2 31.264 -19.071 -21.703 1.00 0.00 H new ATOM 0 HD23 LEU B 2 29.852 -18.820 -22.757 1.00 0.00 H new ATOM 1025 N MET B 3 29.368 -16.337 -22.074 1.00 0.00 N ATOM 1026 CA MET B 3 28.973 -15.808 -20.774 1.00 0.00 C ATOM 1027 C MET B 3 29.987 -16.191 -19.700 1.00 0.00 C ATOM 1028 O MET B 3 30.234 -17.373 -19.460 1.00 0.00 O ATOM 1029 CB MET B 3 27.586 -16.327 -20.389 1.00 0.00 C ATOM 1030 CG MET B 3 26.759 -15.323 -19.603 1.00 0.00 C ATOM 1031 SD MET B 3 25.706 -16.106 -18.366 1.00 0.00 S ATOM 1032 CE MET B 3 25.569 -14.793 -17.157 1.00 0.00 C ATOM 0 H MET B 3 28.676 -16.946 -22.510 1.00 0.00 H new ATOM 0 HA MET B 3 28.940 -14.721 -20.847 1.00 0.00 H new ATOM 0 HB2 MET B 3 27.045 -16.601 -21.295 1.00 0.00 H new ATOM 0 HB3 MET B 3 27.698 -17.236 -19.797 1.00 0.00 H new ATOM 0 HG2 MET B 3 27.426 -14.615 -19.111 1.00 0.00 H new ATOM 0 HG3 MET B 3 26.139 -14.750 -20.292 1.00 0.00 H new ATOM 0 HE1 MET B 3 25.965 -15.136 -16.201 1.00 0.00 H new ATOM 0 HE2 MET B 3 26.137 -13.926 -17.495 1.00 0.00 H new ATOM 0 HE3 MET B 3 24.522 -14.516 -17.037 1.00 0.00 H new ATOM 1042 N ILE B 4 30.571 -15.185 -19.059 1.00 0.00 N ATOM 1043 CA ILE B 4 31.558 -15.417 -18.011 1.00 0.00 C ATOM 1044 C ILE B 4 30.884 -15.788 -16.695 1.00 0.00 C ATOM 1045 O ILE B 4 31.285 -16.742 -16.026 1.00 0.00 O ATOM 1046 CB ILE B 4 32.445 -14.178 -17.789 1.00 0.00 C ATOM 1047 CG1 ILE B 4 33.283 -13.893 -19.037 1.00 0.00 C ATOM 1048 CG2 ILE B 4 33.342 -14.379 -16.577 1.00 0.00 C ATOM 1049 CD1 ILE B 4 34.098 -15.081 -19.502 1.00 0.00 C ATOM 0 H ILE B 4 30.378 -14.201 -19.247 1.00 0.00 H new ATOM 0 HA ILE B 4 32.183 -16.246 -18.343 1.00 0.00 H new ATOM 0 HB ILE B 4 31.802 -13.318 -17.602 1.00 0.00 H new ATOM 0 HG12 ILE B 4 32.622 -13.578 -19.844 1.00 0.00 H new ATOM 0 HG13 ILE B 4 33.955 -13.060 -18.831 1.00 0.00 H new ATOM 0 HG21 ILE B 4 33.963 -13.495 -16.433 1.00 0.00 H new ATOM 0 HG22 ILE B 4 32.727 -14.538 -15.691 1.00 0.00 H new ATOM 0 HG23 ILE B 4 33.980 -15.248 -16.737 1.00 0.00 H new ATOM 0 HD11 ILE B 4 34.667 -14.807 -20.390 1.00 0.00 H new ATOM 0 HD12 ILE B 4 34.784 -15.384 -18.711 1.00 0.00 H new ATOM 0 HD13 ILE B 4 33.431 -15.909 -19.740 1.00 0.00 H new ATOM 1061 N THR B 5 29.856 -15.029 -16.327 1.00 0.00 N ATOM 1062 CA THR B 5 29.126 -15.279 -15.091 1.00 0.00 C ATOM 1063 C THR B 5 27.940 -14.331 -14.953 1.00 0.00 C ATOM 1064 O THR B 5 27.734 -13.452 -15.790 1.00 0.00 O ATOM 1065 CB THR B 5 30.038 -15.125 -13.859 1.00 0.00 C ATOM 1066 OG1 THR B 5 29.364 -15.602 -12.689 1.00 0.00 O ATOM 1067 CG2 THR B 5 30.441 -13.672 -13.662 1.00 0.00 C ATOM 0 H THR B 5 29.511 -14.236 -16.868 1.00 0.00 H new ATOM 0 HA THR B 5 28.764 -16.306 -15.139 1.00 0.00 H new ATOM 0 HB THR B 5 30.939 -15.715 -14.025 1.00 0.00 H new ATOM 0 HG1 THR B 5 29.950 -15.503 -11.910 1.00 0.00 H new ATOM 0 HG21 THR B 5 31.085 -13.588 -12.786 1.00 0.00 H new ATOM 0 HG22 THR B 5 30.979 -13.321 -14.543 1.00 0.00 H new ATOM 0 HG23 THR B 5 29.549 -13.064 -13.516 1.00 0.00 H new ATOM 1075 N SER B 6 27.163 -14.514 -13.890 1.00 0.00 N ATOM 1076 CA SER B 6 25.995 -13.676 -13.644 1.00 0.00 C ATOM 1077 C SER B 6 26.024 -13.106 -12.229 1.00 0.00 C ATOM 1078 O SER B 6 26.234 -13.833 -11.258 1.00 0.00 O ATOM 1079 CB SER B 6 24.711 -14.480 -13.855 1.00 0.00 C ATOM 1080 OG SER B 6 24.200 -14.960 -12.623 1.00 0.00 O ATOM 0 H SER B 6 27.321 -15.235 -13.186 1.00 0.00 H new ATOM 0 HA SER B 6 26.017 -12.847 -14.352 1.00 0.00 H new ATOM 0 HB2 SER B 6 23.963 -13.855 -14.343 1.00 0.00 H new ATOM 0 HB3 SER B 6 24.909 -15.319 -14.521 1.00 0.00 H new ATOM 0 HG SER B 6 23.379 -15.469 -12.786 1.00 0.00 H new ATOM 1086 N PHE B 7 25.812 -11.798 -12.121 1.00 0.00 N ATOM 1087 CA PHE B 7 25.815 -11.128 -10.825 1.00 0.00 C ATOM 1088 C PHE B 7 24.508 -10.373 -10.601 1.00 0.00 C ATOM 1089 O PHE B 7 23.727 -10.173 -11.530 1.00 0.00 O ATOM 1090 CB PHE B 7 26.998 -10.163 -10.730 1.00 0.00 C ATOM 1091 CG PHE B 7 28.335 -10.845 -10.783 1.00 0.00 C ATOM 1092 CD1 PHE B 7 28.548 -12.035 -10.105 1.00 0.00 C ATOM 1093 CD2 PHE B 7 29.379 -10.298 -11.512 1.00 0.00 C ATOM 1094 CE1 PHE B 7 29.777 -12.665 -10.153 1.00 0.00 C ATOM 1095 CE2 PHE B 7 30.610 -10.923 -11.563 1.00 0.00 C ATOM 1096 CZ PHE B 7 30.809 -12.109 -10.883 1.00 0.00 C ATOM 0 H PHE B 7 25.636 -11.182 -12.914 1.00 0.00 H new ATOM 0 HA PHE B 7 25.912 -11.888 -10.050 1.00 0.00 H new ATOM 0 HB2 PHE B 7 26.935 -9.442 -11.545 1.00 0.00 H new ATOM 0 HB3 PHE B 7 26.923 -9.600 -9.800 1.00 0.00 H new ATOM 0 HD1 PHE B 7 27.745 -12.475 -9.533 1.00 0.00 H new ATOM 0 HD2 PHE B 7 29.228 -9.372 -12.047 1.00 0.00 H new ATOM 0 HE1 PHE B 7 29.930 -13.592 -9.620 1.00 0.00 H new ATOM 0 HE2 PHE B 7 31.416 -10.485 -12.134 1.00 0.00 H new ATOM 0 HZ PHE B 7 31.770 -12.600 -10.922 1.00 0.00 H new ATOM 1106 N ALA B 8 24.278 -9.957 -9.360 1.00 0.00 N ATOM 1107 CA ALA B 8 23.068 -9.223 -9.012 1.00 0.00 C ATOM 1108 C ALA B 8 23.402 -7.930 -8.277 1.00 0.00 C ATOM 1109 O ALA B 8 22.683 -7.519 -7.367 1.00 0.00 O ATOM 1110 CB ALA B 8 22.148 -10.092 -8.166 1.00 0.00 C ATOM 0 H ALA B 8 24.914 -10.116 -8.579 1.00 0.00 H new ATOM 0 HA ALA B 8 22.553 -8.961 -9.936 1.00 0.00 H new ATOM 0 HB1 ALA B 8 21.248 -9.531 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA B 8 21.873 -10.985 -8.727 1.00 0.00 H new ATOM 0 HB3 ALA B 8 22.663 -10.383 -7.250 1.00 0.00 H new ATOM 1116 N ASN B 9 24.498 -7.293 -8.677 1.00 0.00 N ATOM 1117 CA ASN B 9 24.928 -6.047 -8.054 1.00 0.00 C ATOM 1118 C ASN B 9 25.887 -5.286 -8.965 1.00 0.00 C ATOM 1119 O ASN B 9 26.735 -5.869 -9.640 1.00 0.00 O ATOM 1120 CB ASN B 9 25.601 -6.330 -6.709 1.00 0.00 C ATOM 1121 CG ASN B 9 24.725 -5.944 -5.532 1.00 0.00 C ATOM 1122 OD1 ASN B 9 23.902 -5.034 -5.629 1.00 0.00 O ATOM 1123 ND2 ASN B 9 24.901 -6.637 -4.413 1.00 0.00 N ATOM 0 H ASN B 9 25.104 -7.619 -9.430 1.00 0.00 H new ATOM 0 HA ASN B 9 24.045 -5.430 -7.888 1.00 0.00 H new ATOM 0 HB2 ASN B 9 25.846 -7.390 -6.644 1.00 0.00 H new ATOM 0 HB3 ASN B 9 26.541 -5.782 -6.654 1.00 0.00 H new ATOM 0 HD21 ASN B 9 24.342 -6.423 -3.587 1.00 0.00 H new ATOM 0 HD22 ASN B 9 25.596 -7.383 -4.379 1.00 0.00 H new ATOM 1130 N PRO B 10 25.751 -3.952 -8.984 1.00 0.00 N ATOM 1131 CA PRO B 10 26.597 -3.082 -9.807 1.00 0.00 C ATOM 1132 C PRO B 10 28.035 -3.027 -9.302 1.00 0.00 C ATOM 1133 O PRO B 10 28.981 -3.169 -10.077 1.00 0.00 O ATOM 1134 CB PRO B 10 25.931 -1.711 -9.674 1.00 0.00 C ATOM 1135 CG PRO B 10 25.210 -1.764 -8.372 1.00 0.00 C ATOM 1136 CD PRO B 10 24.762 -3.189 -8.205 1.00 0.00 C ATOM 0 HA PRO B 10 26.670 -3.438 -10.835 1.00 0.00 H new ATOM 0 HB2 PRO B 10 26.670 -0.910 -9.685 1.00 0.00 H new ATOM 0 HB3 PRO B 10 25.244 -1.523 -10.499 1.00 0.00 H new ATOM 0 HG2 PRO B 10 25.862 -1.461 -7.552 1.00 0.00 H new ATOM 0 HG3 PRO B 10 24.358 -1.084 -8.370 1.00 0.00 H new ATOM 0 HD2 PRO B 10 24.758 -3.489 -7.157 1.00 0.00 H new ATOM 0 HD3 PRO B 10 23.751 -3.339 -8.583 1.00 0.00 H new ATOM 1144 N ARG B 11 28.192 -2.819 -7.999 1.00 0.00 N ATOM 1145 CA ARG B 11 29.516 -2.744 -7.392 1.00 0.00 C ATOM 1146 C ARG B 11 30.358 -3.959 -7.771 1.00 0.00 C ATOM 1147 O ARG B 11 31.507 -3.825 -8.189 1.00 0.00 O ATOM 1148 CB ARG B 11 29.397 -2.648 -5.870 1.00 0.00 C ATOM 1149 CG ARG B 11 28.496 -1.517 -5.400 1.00 0.00 C ATOM 1150 CD ARG B 11 28.398 -1.477 -3.883 1.00 0.00 C ATOM 1151 NE ARG B 11 28.970 -0.252 -3.330 1.00 0.00 N ATOM 1152 CZ ARG B 11 28.444 0.954 -3.515 1.00 0.00 C ATOM 1153 NH1 ARG B 11 27.339 1.095 -4.234 1.00 0.00 N ATOM 1154 NH2 ARG B 11 29.023 2.021 -2.979 1.00 0.00 N ATOM 0 H ARG B 11 27.420 -2.699 -7.344 1.00 0.00 H new ATOM 0 HA ARG B 11 30.011 -1.849 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG B 11 29.013 -3.592 -5.484 1.00 0.00 H new ATOM 0 HB3 ARG B 11 30.391 -2.510 -5.444 1.00 0.00 H new ATOM 0 HG2 ARG B 11 28.883 -0.566 -5.766 1.00 0.00 H new ATOM 0 HG3 ARG B 11 27.501 -1.642 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG B 11 27.352 -1.556 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG B 11 28.915 -2.340 -3.463 1.00 0.00 H new ATOM 0 HE ARG B 11 29.820 -0.327 -2.771 1.00 0.00 H new ATOM 0 HH11 ARG B 11 26.891 0.277 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG B 11 26.937 2.022 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG B 11 29.873 1.916 -2.424 1.00 0.00 H new ATOM 0 HH22 ARG B 11 28.618 2.946 -3.122 1.00 0.00 H new ATOM 1168 N VAL B 12 29.777 -5.145 -7.620 1.00 0.00 N ATOM 1169 CA VAL B 12 30.472 -6.384 -7.947 1.00 0.00 C ATOM 1170 C VAL B 12 30.750 -6.480 -9.443 1.00 0.00 C ATOM 1171 O VAL B 12 31.895 -6.650 -9.862 1.00 0.00 O ATOM 1172 CB VAL B 12 29.661 -7.617 -7.507 1.00 0.00 C ATOM 1173 CG1 VAL B 12 30.356 -8.898 -7.942 1.00 0.00 C ATOM 1174 CG2 VAL B 12 29.445 -7.602 -6.001 1.00 0.00 C ATOM 0 H VAL B 12 28.826 -5.274 -7.273 1.00 0.00 H new ATOM 0 HA VAL B 12 31.417 -6.368 -7.405 1.00 0.00 H new ATOM 0 HB VAL B 12 28.685 -7.580 -7.992 1.00 0.00 H new ATOM 0 HG11 VAL B 12 29.768 -9.758 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL B 12 30.453 -8.909 -9.028 1.00 0.00 H new ATOM 0 HG13 VAL B 12 31.346 -8.947 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL B 12 28.870 -8.480 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL B 12 30.410 -7.614 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL B 12 28.900 -6.701 -5.721 1.00 0.00 H new ATOM 1184 N ALA B 13 29.695 -6.370 -10.244 1.00 0.00 N ATOM 1185 CA ALA B 13 29.826 -6.442 -11.694 1.00 0.00 C ATOM 1186 C ALA B 13 30.933 -5.519 -12.192 1.00 0.00 C ATOM 1187 O ALA B 13 31.900 -5.970 -12.805 1.00 0.00 O ATOM 1188 CB ALA B 13 28.504 -6.091 -12.361 1.00 0.00 C ATOM 0 H ALA B 13 28.740 -6.231 -9.913 1.00 0.00 H new ATOM 0 HA ALA B 13 30.095 -7.464 -11.959 1.00 0.00 H new ATOM 0 HB1 ALA B 13 28.616 -6.149 -13.444 1.00 0.00 H new ATOM 0 HB2 ALA B 13 27.736 -6.793 -12.038 1.00 0.00 H new ATOM 0 HB3 ALA B 13 28.212 -5.079 -12.080 1.00 0.00 H new ATOM 1194 N GLN B 14 30.784 -4.226 -11.924 1.00 0.00 N ATOM 1195 CA GLN B 14 31.772 -3.240 -12.347 1.00 0.00 C ATOM 1196 C GLN B 14 33.153 -3.583 -11.798 1.00 0.00 C ATOM 1197 O GLN B 14 34.151 -3.509 -12.513 1.00 0.00 O ATOM 1198 CB GLN B 14 31.359 -1.842 -11.883 1.00 0.00 C ATOM 1199 CG GLN B 14 32.436 -0.790 -12.091 1.00 0.00 C ATOM 1200 CD GLN B 14 32.795 -0.602 -13.552 1.00 0.00 C ATOM 1201 OE1 GLN B 14 31.918 -0.528 -14.414 1.00 0.00 O ATOM 1202 NE2 GLN B 14 34.089 -0.524 -13.839 1.00 0.00 N ATOM 0 H GLN B 14 29.990 -3.837 -11.416 1.00 0.00 H new ATOM 0 HA GLN B 14 31.820 -3.255 -13.436 1.00 0.00 H new ATOM 0 HB2 GLN B 14 30.460 -1.541 -12.420 1.00 0.00 H new ATOM 0 HB3 GLN B 14 31.100 -1.881 -10.825 1.00 0.00 H new ATOM 0 HG2 GLN B 14 32.095 0.160 -11.680 1.00 0.00 H new ATOM 0 HG3 GLN B 14 33.329 -1.075 -11.535 1.00 0.00 H new ATOM 0 HE21 GLN B 14 34.782 -0.590 -13.093 1.00 0.00 H new ATOM 0 HE22 GLN B 14 34.390 -0.398 -14.805 1.00 0.00 H new ATOM 1211 N ALA B 15 33.202 -3.958 -10.524 1.00 0.00 N ATOM 1212 CA ALA B 15 34.460 -4.315 -9.880 1.00 0.00 C ATOM 1213 C ALA B 15 35.154 -5.451 -10.623 1.00 0.00 C ATOM 1214 O ALA B 15 36.358 -5.399 -10.873 1.00 0.00 O ATOM 1215 CB ALA B 15 34.219 -4.699 -8.428 1.00 0.00 C ATOM 0 H ALA B 15 32.385 -4.022 -9.917 1.00 0.00 H new ATOM 0 HA ALA B 15 35.115 -3.444 -9.909 1.00 0.00 H new ATOM 0 HB1 ALA B 15 35.167 -4.963 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA B 15 33.774 -3.857 -7.898 1.00 0.00 H new ATOM 0 HB3 ALA B 15 33.543 -5.553 -8.385 1.00 0.00 H new ATOM 1221 N PHE B 16 34.387 -6.479 -10.972 1.00 0.00 N ATOM 1222 CA PHE B 16 34.929 -7.630 -11.685 1.00 0.00 C ATOM 1223 C PHE B 16 35.522 -7.209 -13.026 1.00 0.00 C ATOM 1224 O PHE B 16 36.709 -7.408 -13.283 1.00 0.00 O ATOM 1225 CB PHE B 16 33.839 -8.681 -11.903 1.00 0.00 C ATOM 1226 CG PHE B 16 33.833 -9.764 -10.862 1.00 0.00 C ATOM 1227 CD1 PHE B 16 34.710 -10.833 -10.950 1.00 0.00 C ATOM 1228 CD2 PHE B 16 32.950 -9.713 -9.795 1.00 0.00 C ATOM 1229 CE1 PHE B 16 34.708 -11.830 -9.993 1.00 0.00 C ATOM 1230 CE2 PHE B 16 32.943 -10.707 -8.835 1.00 0.00 C ATOM 1231 CZ PHE B 16 33.822 -11.768 -8.935 1.00 0.00 C ATOM 0 H PHE B 16 33.388 -6.538 -10.773 1.00 0.00 H new ATOM 0 HA PHE B 16 35.723 -8.062 -11.076 1.00 0.00 H new ATOM 0 HB2 PHE B 16 32.867 -8.188 -11.909 1.00 0.00 H new ATOM 0 HB3 PHE B 16 33.973 -9.133 -12.886 1.00 0.00 H new ATOM 0 HD1 PHE B 16 35.403 -10.888 -11.776 1.00 0.00 H new ATOM 0 HD2 PHE B 16 32.259 -8.887 -9.713 1.00 0.00 H new ATOM 0 HE1 PHE B 16 35.398 -12.657 -10.072 1.00 0.00 H new ATOM 0 HE2 PHE B 16 32.251 -10.654 -8.007 1.00 0.00 H new ATOM 0 HZ PHE B 16 33.817 -12.547 -8.187 1.00 0.00 H new ATOM 1241 N VAL B 17 34.685 -6.628 -13.880 1.00 0.00 N ATOM 1242 CA VAL B 17 35.124 -6.178 -15.195 1.00 0.00 C ATOM 1243 C VAL B 17 36.230 -5.136 -15.078 1.00 0.00 C ATOM 1244 O VAL B 17 37.028 -4.956 -15.999 1.00 0.00 O ATOM 1245 CB VAL B 17 33.956 -5.583 -16.004 1.00 0.00 C ATOM 1246 CG1 VAL B 17 32.938 -6.661 -16.344 1.00 0.00 C ATOM 1247 CG2 VAL B 17 33.303 -4.444 -15.237 1.00 0.00 C ATOM 0 H VAL B 17 33.699 -6.458 -13.684 1.00 0.00 H new ATOM 0 HA VAL B 17 35.508 -7.054 -15.717 1.00 0.00 H new ATOM 0 HB VAL B 17 34.350 -5.182 -16.938 1.00 0.00 H new ATOM 0 HG11 VAL B 17 32.120 -6.222 -16.916 1.00 0.00 H new ATOM 0 HG12 VAL B 17 33.417 -7.440 -16.936 1.00 0.00 H new ATOM 0 HG13 VAL B 17 32.546 -7.094 -15.424 1.00 0.00 H new ATOM 0 HG21 VAL B 17 32.480 -4.035 -15.823 1.00 0.00 H new ATOM 0 HG22 VAL B 17 32.921 -4.817 -14.287 1.00 0.00 H new ATOM 0 HG23 VAL B 17 34.039 -3.662 -15.051 1.00 0.00 H new ATOM 1257 N ASP B 18 36.273 -4.451 -13.941 1.00 0.00 N ATOM 1258 CA ASP B 18 37.283 -3.427 -13.702 1.00 0.00 C ATOM 1259 C ASP B 18 38.667 -4.052 -13.555 1.00 0.00 C ATOM 1260 O ASP B 18 39.577 -3.757 -14.330 1.00 0.00 O ATOM 1261 CB ASP B 18 36.937 -2.622 -12.448 1.00 0.00 C ATOM 1262 CG ASP B 18 37.974 -1.561 -12.136 1.00 0.00 C ATOM 1263 OD1 ASP B 18 38.561 -1.007 -13.090 1.00 0.00 O ATOM 1264 OD2 ASP B 18 38.198 -1.284 -10.940 1.00 0.00 O ATOM 0 H ASP B 18 35.620 -4.586 -13.170 1.00 0.00 H new ATOM 0 HA ASP B 18 37.296 -2.757 -14.562 1.00 0.00 H new ATOM 0 HB2 ASP B 18 35.965 -2.147 -12.581 1.00 0.00 H new ATOM 0 HB3 ASP B 18 36.847 -3.299 -11.599 1.00 0.00 H new ATOM 1269 N TYR B 19 38.818 -4.914 -12.556 1.00 0.00 N ATOM 1270 CA TYR B 19 40.091 -5.578 -12.306 1.00 0.00 C ATOM 1271 C TYR B 19 40.474 -6.481 -13.474 1.00 0.00 C ATOM 1272 O TYR B 19 41.650 -6.778 -13.684 1.00 0.00 O ATOM 1273 CB TYR B 19 40.019 -6.397 -11.016 1.00 0.00 C ATOM 1274 CG TYR B 19 39.739 -7.865 -11.246 1.00 0.00 C ATOM 1275 CD1 TYR B 19 40.769 -8.753 -11.529 1.00 0.00 C ATOM 1276 CD2 TYR B 19 38.444 -8.364 -11.179 1.00 0.00 C ATOM 1277 CE1 TYR B 19 40.517 -10.095 -11.740 1.00 0.00 C ATOM 1278 CE2 TYR B 19 38.183 -9.704 -11.387 1.00 0.00 C ATOM 1279 CZ TYR B 19 39.223 -10.566 -11.668 1.00 0.00 C ATOM 1280 OH TYR B 19 38.969 -11.902 -11.877 1.00 0.00 O ATOM 0 H TYR B 19 38.074 -5.169 -11.906 1.00 0.00 H new ATOM 0 HA TYR B 19 40.857 -4.810 -12.198 1.00 0.00 H new ATOM 0 HB2 TYR B 19 40.961 -6.295 -10.478 1.00 0.00 H new ATOM 0 HB3 TYR B 19 39.240 -5.983 -10.376 1.00 0.00 H new ATOM 0 HD1 TYR B 19 41.784 -8.388 -11.585 1.00 0.00 H new ATOM 0 HD2 TYR B 19 37.627 -7.692 -10.960 1.00 0.00 H new ATOM 0 HE1 TYR B 19 41.329 -10.772 -11.960 1.00 0.00 H new ATOM 0 HE2 TYR B 19 37.170 -10.075 -11.330 1.00 0.00 H new ATOM 0 HH TYR B 19 38.007 -12.070 -11.790 1.00 0.00 H new ATOM 1290 N MET B 20 39.472 -6.914 -14.232 1.00 0.00 N ATOM 1291 CA MET B 20 39.703 -7.782 -15.381 1.00 0.00 C ATOM 1292 C MET B 20 40.242 -6.985 -16.565 1.00 0.00 C ATOM 1293 O MET B 20 41.139 -7.440 -17.274 1.00 0.00 O ATOM 1294 CB MET B 20 38.408 -8.493 -15.778 1.00 0.00 C ATOM 1295 CG MET B 20 38.089 -9.701 -14.911 1.00 0.00 C ATOM 1296 SD MET B 20 38.736 -11.238 -15.596 1.00 0.00 S ATOM 1297 CE MET B 20 40.461 -11.116 -15.131 1.00 0.00 C ATOM 0 H MET B 20 38.493 -6.678 -14.071 1.00 0.00 H new ATOM 0 HA MET B 20 40.447 -8.527 -15.098 1.00 0.00 H new ATOM 0 HB2 MET B 20 37.581 -7.785 -15.719 1.00 0.00 H new ATOM 0 HB3 MET B 20 38.482 -8.811 -16.818 1.00 0.00 H new ATOM 0 HG2 MET B 20 38.505 -9.548 -13.915 1.00 0.00 H new ATOM 0 HG3 MET B 20 37.008 -9.786 -14.796 1.00 0.00 H new ATOM 0 HE1 MET B 20 41.069 -10.967 -16.023 1.00 0.00 H new ATOM 0 HE2 MET B 20 40.597 -10.272 -14.455 1.00 0.00 H new ATOM 0 HE3 MET B 20 40.769 -12.035 -14.631 1.00 0.00 H new ATOM 1307 N ALA B 21 39.689 -5.794 -16.772 1.00 0.00 N ATOM 1308 CA ALA B 21 40.116 -4.934 -17.869 1.00 0.00 C ATOM 1309 C ALA B 21 41.541 -4.436 -17.653 1.00 0.00 C ATOM 1310 O ALA B 21 42.341 -4.387 -18.587 1.00 0.00 O ATOM 1311 CB ALA B 21 39.161 -3.759 -18.020 1.00 0.00 C ATOM 0 H ALA B 21 38.945 -5.403 -16.195 1.00 0.00 H new ATOM 0 HA ALA B 21 40.100 -5.522 -18.787 1.00 0.00 H new ATOM 0 HB1 ALA B 21 39.492 -3.125 -18.843 1.00 0.00 H new ATOM 0 HB2 ALA B 21 38.158 -4.130 -18.229 1.00 0.00 H new ATOM 0 HB3 ALA B 21 39.149 -3.179 -17.097 1.00 0.00 H new ATOM 1317 N THR B 22 41.852 -4.066 -16.414 1.00 0.00 N ATOM 1318 CA THR B 22 43.180 -3.569 -16.076 1.00 0.00 C ATOM 1319 C THR B 22 44.205 -4.698 -16.074 1.00 0.00 C ATOM 1320 O THR B 22 45.410 -4.453 -16.041 1.00 0.00 O ATOM 1321 CB THR B 22 43.188 -2.881 -14.698 1.00 0.00 C ATOM 1322 OG1 THR B 22 44.456 -2.255 -14.471 1.00 0.00 O ATOM 1323 CG2 THR B 22 42.906 -3.884 -13.590 1.00 0.00 C ATOM 0 H THR B 22 41.202 -4.101 -15.629 1.00 0.00 H new ATOM 0 HA THR B 22 43.449 -2.839 -16.840 1.00 0.00 H new ATOM 0 HB THR B 22 42.403 -2.125 -14.689 1.00 0.00 H new ATOM 0 HG1 THR B 22 45.152 -2.739 -14.962 1.00 0.00 H new ATOM 0 HG21 THR B 22 42.917 -3.374 -12.627 1.00 0.00 H new ATOM 0 HG22 THR B 22 41.928 -4.337 -13.750 1.00 0.00 H new ATOM 0 HG23 THR B 22 43.671 -4.660 -13.599 1.00 0.00 H new ATOM 1331 N GLN B 23 43.718 -5.934 -16.111 1.00 0.00 N ATOM 1332 CA GLN B 23 44.593 -7.100 -16.113 1.00 0.00 C ATOM 1333 C GLN B 23 44.890 -7.555 -17.538 1.00 0.00 C ATOM 1334 O GLN B 23 45.673 -8.478 -17.755 1.00 0.00 O ATOM 1335 CB GLN B 23 43.956 -8.243 -15.322 1.00 0.00 C ATOM 1336 CG GLN B 23 44.215 -8.167 -13.826 1.00 0.00 C ATOM 1337 CD GLN B 23 45.556 -8.756 -13.436 1.00 0.00 C ATOM 1338 OE1 GLN B 23 45.644 -9.916 -13.030 1.00 0.00 O ATOM 1339 NE2 GLN B 23 46.611 -7.959 -13.556 1.00 0.00 N ATOM 0 H GLN B 23 42.722 -6.154 -16.140 1.00 0.00 H new ATOM 0 HA GLN B 23 45.533 -6.819 -15.638 1.00 0.00 H new ATOM 0 HB2 GLN B 23 42.880 -8.239 -15.497 1.00 0.00 H new ATOM 0 HB3 GLN B 23 44.337 -9.192 -15.700 1.00 0.00 H new ATOM 0 HG2 GLN B 23 44.173 -7.126 -13.506 1.00 0.00 H new ATOM 0 HG3 GLN B 23 43.422 -8.696 -13.296 1.00 0.00 H new ATOM 0 HE21 GLN B 23 46.493 -7.005 -13.896 1.00 0.00 H new ATOM 0 HE22 GLN B 23 47.539 -8.301 -13.308 1.00 0.00 H new ATOM 1348 N GLY B 24 44.257 -6.900 -18.507 1.00 0.00 N ATOM 1349 CA GLY B 24 44.466 -7.252 -19.900 1.00 0.00 C ATOM 1350 C GLY B 24 43.325 -8.073 -20.468 1.00 0.00 C ATOM 1351 O GLY B 24 43.452 -8.668 -21.538 1.00 0.00 O ATOM 0 H GLY B 24 43.603 -6.132 -18.352 1.00 0.00 H new ATOM 0 HA2 GLY B 24 44.582 -6.342 -20.488 1.00 0.00 H new ATOM 0 HA3 GLY B 24 45.396 -7.813 -19.994 1.00 0.00 H new ATOM 1355 N VAL B 25 42.208 -8.107 -19.749 1.00 0.00 N ATOM 1356 CA VAL B 25 41.040 -8.862 -20.187 1.00 0.00 C ATOM 1357 C VAL B 25 39.788 -7.992 -20.177 1.00 0.00 C ATOM 1358 O VAL B 25 39.316 -7.578 -19.117 1.00 0.00 O ATOM 1359 CB VAL B 25 40.802 -10.096 -19.296 1.00 0.00 C ATOM 1360 CG1 VAL B 25 39.823 -11.053 -19.959 1.00 0.00 C ATOM 1361 CG2 VAL B 25 42.118 -10.794 -18.990 1.00 0.00 C ATOM 0 H VAL B 25 42.087 -7.621 -18.861 1.00 0.00 H new ATOM 0 HA VAL B 25 41.241 -9.193 -21.206 1.00 0.00 H new ATOM 0 HB VAL B 25 40.366 -9.763 -18.354 1.00 0.00 H new ATOM 0 HG11 VAL B 25 39.667 -11.918 -19.315 1.00 0.00 H new ATOM 0 HG12 VAL B 25 38.872 -10.546 -20.121 1.00 0.00 H new ATOM 0 HG13 VAL B 25 40.227 -11.381 -20.917 1.00 0.00 H new ATOM 0 HG21 VAL B 25 41.931 -11.663 -18.360 1.00 0.00 H new ATOM 0 HG22 VAL B 25 42.585 -11.115 -19.921 1.00 0.00 H new ATOM 0 HG23 VAL B 25 42.783 -10.105 -18.469 1.00 0.00 H new ATOM 1371 N ILE B 26 39.254 -7.719 -21.363 1.00 0.00 N ATOM 1372 CA ILE B 26 38.056 -6.899 -21.490 1.00 0.00 C ATOM 1373 C ILE B 26 36.798 -7.720 -21.227 1.00 0.00 C ATOM 1374 O ILE B 26 36.645 -8.827 -21.746 1.00 0.00 O ATOM 1375 CB ILE B 26 37.956 -6.262 -22.888 1.00 0.00 C ATOM 1376 CG1 ILE B 26 39.184 -5.392 -23.166 1.00 0.00 C ATOM 1377 CG2 ILE B 26 36.680 -5.440 -23.006 1.00 0.00 C ATOM 1378 CD1 ILE B 26 39.355 -4.257 -22.181 1.00 0.00 C ATOM 0 H ILE B 26 39.632 -8.054 -22.249 1.00 0.00 H new ATOM 0 HA ILE B 26 38.134 -6.108 -20.744 1.00 0.00 H new ATOM 0 HB ILE B 26 37.923 -7.058 -23.632 1.00 0.00 H new ATOM 0 HG12 ILE B 26 40.076 -6.019 -23.145 1.00 0.00 H new ATOM 0 HG13 ILE B 26 39.108 -4.981 -24.173 1.00 0.00 H new ATOM 0 HG21 ILE B 26 36.624 -4.996 -24.000 1.00 0.00 H new ATOM 0 HG22 ILE B 26 35.816 -6.085 -22.847 1.00 0.00 H new ATOM 0 HG23 ILE B 26 36.686 -4.650 -22.255 1.00 0.00 H new ATOM 0 HD11 ILE B 26 40.245 -3.682 -22.439 1.00 0.00 H new ATOM 0 HD12 ILE B 26 38.480 -3.608 -22.219 1.00 0.00 H new ATOM 0 HD13 ILE B 26 39.463 -4.662 -21.175 1.00 0.00 H new ATOM 1390 N LEU B 27 35.898 -7.171 -20.418 1.00 0.00 N ATOM 1391 CA LEU B 27 34.651 -7.851 -20.087 1.00 0.00 C ATOM 1392 C LEU B 27 33.452 -6.939 -20.328 1.00 0.00 C ATOM 1393 O LEU B 27 33.597 -5.722 -20.442 1.00 0.00 O ATOM 1394 CB LEU B 27 34.670 -8.311 -18.628 1.00 0.00 C ATOM 1395 CG LEU B 27 35.496 -9.563 -18.330 1.00 0.00 C ATOM 1396 CD1 LEU B 27 35.388 -9.936 -16.860 1.00 0.00 C ATOM 1397 CD2 LEU B 27 35.046 -10.721 -19.210 1.00 0.00 C ATOM 0 H LEU B 27 36.009 -6.257 -19.979 1.00 0.00 H new ATOM 0 HA LEU B 27 34.558 -8.722 -20.736 1.00 0.00 H new ATOM 0 HB2 LEU B 27 35.051 -7.494 -18.015 1.00 0.00 H new ATOM 0 HB3 LEU B 27 33.643 -8.494 -18.312 1.00 0.00 H new ATOM 0 HG LEU B 27 36.541 -9.347 -18.553 1.00 0.00 H new ATOM 0 HD11 LEU B 27 35.982 -10.829 -16.667 1.00 0.00 H new ATOM 0 HD12 LEU B 27 35.759 -9.114 -16.248 1.00 0.00 H new ATOM 0 HD13 LEU B 27 34.345 -10.133 -16.610 1.00 0.00 H new ATOM 0 HD21 LEU B 27 35.645 -11.603 -18.984 1.00 0.00 H new ATOM 0 HD22 LEU B 27 33.995 -10.937 -19.018 1.00 0.00 H new ATOM 0 HD23 LEU B 27 35.176 -10.453 -20.259 1.00 0.00 H new ATOM 1409 N THR B 28 32.267 -7.536 -20.405 1.00 0.00 N ATOM 1410 CA THR B 28 31.043 -6.778 -20.632 1.00 0.00 C ATOM 1411 C THR B 28 29.993 -7.100 -19.574 1.00 0.00 C ATOM 1412 O THR B 28 29.915 -8.228 -19.087 1.00 0.00 O ATOM 1413 CB THR B 28 30.455 -7.066 -22.026 1.00 0.00 C ATOM 1414 OG1 THR B 28 31.397 -7.804 -22.813 1.00 0.00 O ATOM 1415 CG2 THR B 28 30.096 -5.771 -22.739 1.00 0.00 C ATOM 0 H THR B 28 32.129 -8.542 -20.313 1.00 0.00 H new ATOM 0 HA THR B 28 31.308 -5.723 -20.568 1.00 0.00 H new ATOM 0 HB THR B 28 29.548 -7.657 -21.898 1.00 0.00 H new ATOM 0 HG1 THR B 28 31.494 -8.707 -22.445 1.00 0.00 H new ATOM 0 HG21 THR B 28 29.683 -5.999 -23.721 1.00 0.00 H new ATOM 0 HG22 THR B 28 29.357 -5.225 -22.152 1.00 0.00 H new ATOM 0 HG23 THR B 28 30.991 -5.159 -22.855 1.00 0.00 H new ATOM 1423 N ILE B 29 29.189 -6.102 -19.223 1.00 0.00 N ATOM 1424 CA ILE B 29 28.142 -6.280 -18.224 1.00 0.00 C ATOM 1425 C ILE B 29 26.781 -5.871 -18.776 1.00 0.00 C ATOM 1426 O ILE B 29 26.674 -4.921 -19.550 1.00 0.00 O ATOM 1427 CB ILE B 29 28.435 -5.464 -16.951 1.00 0.00 C ATOM 1428 CG1 ILE B 29 29.744 -5.929 -16.311 1.00 0.00 C ATOM 1429 CG2 ILE B 29 27.282 -5.590 -15.966 1.00 0.00 C ATOM 1430 CD1 ILE B 29 29.689 -7.345 -15.782 1.00 0.00 C ATOM 0 H ILE B 29 29.242 -5.162 -19.615 1.00 0.00 H new ATOM 0 HA ILE B 29 28.124 -7.340 -17.970 1.00 0.00 H new ATOM 0 HB ILE B 29 28.540 -4.414 -17.225 1.00 0.00 H new ATOM 0 HG12 ILE B 29 30.545 -5.856 -17.047 1.00 0.00 H new ATOM 0 HG13 ILE B 29 29.999 -5.254 -15.494 1.00 0.00 H new ATOM 0 HG21 ILE B 29 27.503 -5.008 -15.071 1.00 0.00 H new ATOM 0 HG22 ILE B 29 26.368 -5.215 -16.426 1.00 0.00 H new ATOM 0 HG23 ILE B 29 27.148 -6.637 -15.694 1.00 0.00 H new ATOM 0 HD11 ILE B 29 30.651 -7.607 -15.342 1.00 0.00 H new ATOM 0 HD12 ILE B 29 28.911 -7.420 -15.022 1.00 0.00 H new ATOM 0 HD13 ILE B 29 29.465 -8.030 -16.599 1.00 0.00 H new ATOM 1442 N GLN B 30 25.742 -6.595 -18.369 1.00 0.00 N ATOM 1443 CA GLN B 30 24.387 -6.306 -18.822 1.00 0.00 C ATOM 1444 C GLN B 30 23.457 -6.066 -17.637 1.00 0.00 C ATOM 1445 O GLN B 30 23.040 -7.008 -16.963 1.00 0.00 O ATOM 1446 CB GLN B 30 23.856 -7.458 -19.677 1.00 0.00 C ATOM 1447 CG GLN B 30 23.952 -7.200 -21.172 1.00 0.00 C ATOM 1448 CD GLN B 30 22.596 -7.184 -21.850 1.00 0.00 C ATOM 1449 OE1 GLN B 30 21.699 -7.946 -21.488 1.00 0.00 O ATOM 1450 NE2 GLN B 30 22.439 -6.313 -22.841 1.00 0.00 N ATOM 0 H GLN B 30 25.813 -7.385 -17.727 1.00 0.00 H new ATOM 0 HA GLN B 30 24.418 -5.399 -19.426 1.00 0.00 H new ATOM 0 HB2 GLN B 30 24.412 -8.364 -19.437 1.00 0.00 H new ATOM 0 HB3 GLN B 30 22.814 -7.644 -19.415 1.00 0.00 H new ATOM 0 HG2 GLN B 30 24.450 -6.245 -21.341 1.00 0.00 H new ATOM 0 HG3 GLN B 30 24.574 -7.969 -21.630 1.00 0.00 H new ATOM 0 HE21 GLN B 30 23.209 -5.700 -23.108 1.00 0.00 H new ATOM 0 HE22 GLN B 30 21.548 -6.257 -23.335 1.00 0.00 H new ATOM 1459 N GLN B 31 23.136 -4.800 -17.390 1.00 0.00 N ATOM 1460 CA GLN B 31 22.256 -4.438 -16.286 1.00 0.00 C ATOM 1461 C GLN B 31 20.791 -4.537 -16.701 1.00 0.00 C ATOM 1462 O GLN B 31 20.227 -3.591 -17.253 1.00 0.00 O ATOM 1463 CB GLN B 31 22.566 -3.020 -15.802 1.00 0.00 C ATOM 1464 CG GLN B 31 22.936 -2.947 -14.330 1.00 0.00 C ATOM 1465 CD GLN B 31 22.473 -1.660 -13.675 1.00 0.00 C ATOM 1466 OE1 GLN B 31 22.592 -0.579 -14.252 1.00 0.00 O ATOM 1467 NE2 GLN B 31 21.942 -1.770 -12.463 1.00 0.00 N ATOM 0 H GLN B 31 23.472 -4.009 -17.939 1.00 0.00 H new ATOM 0 HA GLN B 31 22.432 -5.140 -15.471 1.00 0.00 H new ATOM 0 HB2 GLN B 31 23.386 -2.614 -16.395 1.00 0.00 H new ATOM 0 HB3 GLN B 31 21.698 -2.386 -15.982 1.00 0.00 H new ATOM 0 HG2 GLN B 31 22.496 -3.796 -13.806 1.00 0.00 H new ATOM 0 HG3 GLN B 31 24.018 -3.034 -14.226 1.00 0.00 H new ATOM 0 HE21 GLN B 31 21.863 -2.686 -12.022 1.00 0.00 H new ATOM 0 HE22 GLN B 31 21.613 -0.938 -11.973 1.00 0.00 H new ATOM 1524 N SER B 35 10.284 -3.152 -15.120 1.00 0.00 N ATOM 1525 CA SER B 35 9.369 -2.701 -14.078 1.00 0.00 C ATOM 1526 C SER B 35 8.071 -3.502 -14.111 1.00 0.00 C ATOM 1527 O SER B 35 7.188 -3.240 -14.928 1.00 0.00 O ATOM 1528 CB SER B 35 9.067 -1.211 -14.245 1.00 0.00 C ATOM 1529 OG SER B 35 10.159 -0.533 -14.840 1.00 0.00 O ATOM 0 HA SER B 35 9.849 -2.861 -13.113 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.177 -1.084 -14.861 1.00 0.00 H new ATOM 0 HB3 SER B 35 8.847 -0.770 -13.273 1.00 0.00 H new ATOM 0 HG SER B 35 10.723 -1.177 -15.317 1.00 0.00 H new ATOM 1535 N ASP B 36 7.963 -4.479 -13.218 1.00 0.00 N ATOM 1536 CA ASP B 36 6.773 -5.318 -13.143 1.00 0.00 C ATOM 1537 C ASP B 36 5.705 -4.671 -12.267 1.00 0.00 C ATOM 1538 O ASP B 36 5.971 -4.285 -11.129 1.00 0.00 O ATOM 1539 CB ASP B 36 7.131 -6.700 -12.595 1.00 0.00 C ATOM 1540 CG ASP B 36 7.973 -7.507 -13.563 1.00 0.00 C ATOM 1541 OD1 ASP B 36 8.562 -6.903 -14.484 1.00 0.00 O ATOM 1542 OD2 ASP B 36 8.043 -8.743 -13.400 1.00 0.00 O ATOM 0 H ASP B 36 8.685 -4.710 -12.536 1.00 0.00 H new ATOM 0 HA ASP B 36 6.373 -5.428 -14.151 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.672 -6.586 -11.656 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.215 -7.247 -12.371 1.00 0.00 H new ATOM 1547 N VAL B 37 4.495 -4.553 -12.807 1.00 0.00 N ATOM 1548 CA VAL B 37 3.387 -3.952 -12.074 1.00 0.00 C ATOM 1549 C VAL B 37 2.490 -5.021 -11.461 1.00 0.00 C ATOM 1550 O VAL B 37 1.964 -5.883 -12.164 1.00 0.00 O ATOM 1551 CB VAL B 37 2.538 -3.046 -12.986 1.00 0.00 C ATOM 1552 CG1 VAL B 37 1.603 -2.179 -12.156 1.00 0.00 C ATOM 1553 CG2 VAL B 37 3.433 -2.187 -13.866 1.00 0.00 C ATOM 0 H VAL B 37 4.258 -4.866 -13.749 1.00 0.00 H new ATOM 0 HA VAL B 37 3.823 -3.348 -11.278 1.00 0.00 H new ATOM 0 HB VAL B 37 1.930 -3.679 -13.633 1.00 0.00 H new ATOM 0 HG11 VAL B 37 1.011 -1.546 -12.817 1.00 0.00 H new ATOM 0 HG12 VAL B 37 0.938 -2.816 -11.573 1.00 0.00 H new ATOM 0 HG13 VAL B 37 2.189 -1.553 -11.483 1.00 0.00 H new ATOM 0 HG21 VAL B 37 2.816 -1.553 -14.504 1.00 0.00 H new ATOM 0 HG22 VAL B 37 4.068 -1.562 -13.239 1.00 0.00 H new ATOM 0 HG23 VAL B 37 4.057 -2.829 -14.487 1.00 0.00 H new ATOM 1563 N TRP B 38 2.320 -4.958 -10.145 1.00 0.00 N ATOM 1564 CA TRP B 38 1.485 -5.921 -9.436 1.00 0.00 C ATOM 1565 C TRP B 38 0.487 -5.211 -8.528 1.00 0.00 C ATOM 1566 O TRP B 38 0.781 -4.151 -7.973 1.00 0.00 O ATOM 1567 CB TRP B 38 2.355 -6.872 -8.612 1.00 0.00 C ATOM 1568 CG TRP B 38 3.693 -6.296 -8.258 1.00 0.00 C ATOM 1569 CD1 TRP B 38 4.660 -5.874 -9.125 1.00 0.00 C ATOM 1570 CD2 TRP B 38 4.212 -6.082 -6.941 1.00 0.00 C ATOM 1571 NE1 TRP B 38 5.748 -5.410 -8.427 1.00 0.00 N ATOM 1572 CE2 TRP B 38 5.498 -5.526 -7.085 1.00 0.00 C ATOM 1573 CE3 TRP B 38 3.715 -6.304 -5.654 1.00 0.00 C ATOM 1574 CZ2 TRP B 38 6.291 -5.192 -5.991 1.00 0.00 C ATOM 1575 CZ3 TRP B 38 4.504 -5.972 -4.569 1.00 0.00 C ATOM 1576 CH2 TRP B 38 5.780 -5.420 -4.742 1.00 0.00 C ATOM 0 H TRP B 38 2.749 -4.251 -9.548 1.00 0.00 H new ATOM 0 HA TRP B 38 0.929 -6.497 -10.176 1.00 0.00 H new ATOM 0 HB2 TRP B 38 1.826 -7.135 -7.696 1.00 0.00 H new ATOM 0 HB3 TRP B 38 2.502 -7.796 -9.171 1.00 0.00 H new ATOM 0 HD1 TRP B 38 4.581 -5.901 -10.202 1.00 0.00 H new ATOM 0 HE1 TRP B 38 6.603 -5.039 -8.841 1.00 0.00 H new ATOM 0 HE3 TRP B 38 2.732 -6.727 -5.510 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 7.275 -4.768 -6.123 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 4.130 -6.141 -3.570 1.00 0.00 H new ATOM 0 HH2 TRP B 38 6.371 -5.170 -3.874 1.00 0.00 H new ATOM 1587 N LEU B 39 -0.694 -5.801 -8.380 1.00 0.00 N ATOM 1588 CA LEU B 39 -1.737 -5.225 -7.538 1.00 0.00 C ATOM 1589 C LEU B 39 -2.099 -6.169 -6.396 1.00 0.00 C ATOM 1590 O LEU B 39 -1.943 -7.384 -6.510 1.00 0.00 O ATOM 1591 CB LEU B 39 -2.981 -4.915 -8.373 1.00 0.00 C ATOM 1592 CG LEU B 39 -4.239 -4.541 -7.589 1.00 0.00 C ATOM 1593 CD1 LEU B 39 -4.053 -3.205 -6.886 1.00 0.00 C ATOM 1594 CD2 LEU B 39 -5.449 -4.496 -8.512 1.00 0.00 C ATOM 0 H LEU B 39 -0.953 -6.678 -8.832 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.354 -4.298 -7.111 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -2.743 -4.096 -9.052 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -3.207 -5.785 -8.989 1.00 0.00 H new ATOM 0 HG LEU B 39 -4.412 -5.306 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -4.959 -2.956 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.213 -3.271 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.854 -2.429 -7.625 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.335 -4.228 -7.937 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -5.284 -3.753 -9.292 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -5.595 -5.475 -8.969 1.00 0.00 H new ATOM 1606 N ALA B 40 -2.586 -5.601 -5.298 1.00 0.00 N ATOM 1607 CA ALA B 40 -2.974 -6.393 -4.137 1.00 0.00 C ATOM 1608 C ALA B 40 -4.491 -6.522 -4.043 1.00 0.00 C ATOM 1609 O ALA B 40 -5.008 -7.500 -3.503 1.00 0.00 O ATOM 1610 CB ALA B 40 -2.416 -5.773 -2.864 1.00 0.00 C ATOM 0 H ALA B 40 -2.721 -4.596 -5.188 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.556 -7.393 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.714 -6.375 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -1.328 -5.738 -2.923 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -2.806 -4.761 -2.751 1.00 0.00 H new ATOM 1616 N ASP B 41 -5.198 -5.529 -4.571 1.00 0.00 N ATOM 1617 CA ASP B 41 -6.656 -5.532 -4.547 1.00 0.00 C ATOM 1618 C ASP B 41 -7.219 -6.215 -5.789 1.00 0.00 C ATOM 1619 O ASP B 41 -7.467 -5.568 -6.806 1.00 0.00 O ATOM 1620 CB ASP B 41 -7.189 -4.101 -4.452 1.00 0.00 C ATOM 1621 CG ASP B 41 -8.677 -4.055 -4.167 1.00 0.00 C ATOM 1622 OD1 ASP B 41 -9.434 -4.774 -4.851 1.00 0.00 O ATOM 1623 OD2 ASP B 41 -9.084 -3.299 -3.260 1.00 0.00 O ATOM 0 H ASP B 41 -4.785 -4.712 -5.021 1.00 0.00 H new ATOM 0 HA ASP B 41 -6.979 -6.091 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.655 -3.569 -3.665 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -6.985 -3.578 -5.386 1.00 0.00 H new ATOM 1628 N GLU B 42 -7.416 -7.527 -5.699 1.00 0.00 N ATOM 1629 CA GLU B 42 -7.947 -8.298 -6.817 1.00 0.00 C ATOM 1630 C GLU B 42 -9.203 -7.641 -7.383 1.00 0.00 C ATOM 1631 O GLU B 42 -9.364 -7.529 -8.598 1.00 0.00 O ATOM 1632 CB GLU B 42 -8.262 -9.728 -6.374 1.00 0.00 C ATOM 1633 CG GLU B 42 -7.061 -10.470 -5.812 1.00 0.00 C ATOM 1634 CD GLU B 42 -7.449 -11.511 -4.780 1.00 0.00 C ATOM 1635 OE1 GLU B 42 -8.362 -12.315 -5.062 1.00 0.00 O ATOM 1636 OE2 GLU B 42 -6.839 -11.522 -3.691 1.00 0.00 O ATOM 0 H GLU B 42 -7.216 -8.078 -4.864 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.188 -8.326 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -9.047 -9.701 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -8.657 -10.284 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.524 -10.955 -6.627 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.375 -9.754 -5.360 1.00 0.00 H new ATOM 1643 N SER B 43 -10.090 -7.208 -6.492 1.00 0.00 N ATOM 1644 CA SER B 43 -11.333 -6.566 -6.902 1.00 0.00 C ATOM 1645 C SER B 43 -11.057 -5.394 -7.839 1.00 0.00 C ATOM 1646 O SER B 43 -11.851 -5.100 -8.732 1.00 0.00 O ATOM 1647 CB SER B 43 -12.110 -6.081 -5.676 1.00 0.00 C ATOM 1648 OG SER B 43 -11.933 -6.961 -4.580 1.00 0.00 O ATOM 0 H SER B 43 -9.971 -7.290 -5.482 1.00 0.00 H new ATOM 0 HA SER B 43 -11.933 -7.302 -7.437 1.00 0.00 H new ATOM 0 HB2 SER B 43 -11.775 -5.081 -5.401 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.170 -6.006 -5.919 1.00 0.00 H new ATOM 0 HG SER B 43 -12.438 -6.628 -3.809 1.00 0.00 H new ATOM 1654 N GLN B 44 -9.925 -4.730 -7.628 1.00 0.00 N ATOM 1655 CA GLN B 44 -9.543 -3.590 -8.453 1.00 0.00 C ATOM 1656 C GLN B 44 -8.725 -4.040 -9.658 1.00 0.00 C ATOM 1657 O GLN B 44 -8.533 -3.282 -10.608 1.00 0.00 O ATOM 1658 CB GLN B 44 -8.744 -2.580 -7.627 1.00 0.00 C ATOM 1659 CG GLN B 44 -9.554 -1.368 -7.198 1.00 0.00 C ATOM 1660 CD GLN B 44 -10.959 -1.729 -6.760 1.00 0.00 C ATOM 1661 OE1 GLN B 44 -11.902 -1.674 -7.550 1.00 0.00 O ATOM 1662 NE2 GLN B 44 -11.107 -2.103 -5.494 1.00 0.00 N ATOM 0 H GLN B 44 -9.257 -4.962 -6.893 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.454 -3.113 -8.813 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -8.353 -3.078 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -7.886 -2.245 -8.209 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -9.041 -0.864 -6.379 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -9.606 -0.660 -8.025 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -10.298 -2.134 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -12.030 -2.359 -5.142 1.00 0.00 H new ATOM 1671 N ALA B 45 -8.244 -5.278 -9.612 1.00 0.00 N ATOM 1672 CA ALA B 45 -7.447 -5.830 -10.701 1.00 0.00 C ATOM 1673 C ALA B 45 -8.149 -5.646 -12.042 1.00 0.00 C ATOM 1674 O ALA B 45 -7.501 -5.539 -13.082 1.00 0.00 O ATOM 1675 CB ALA B 45 -7.160 -7.303 -10.451 1.00 0.00 C ATOM 0 H ALA B 45 -8.392 -5.918 -8.832 1.00 0.00 H new ATOM 0 HA ALA B 45 -6.502 -5.288 -10.738 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.564 -7.702 -11.272 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.610 -7.413 -9.516 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -8.100 -7.851 -10.385 1.00 0.00 H new ATOM 1681 N GLU B 46 -9.478 -5.611 -12.010 1.00 0.00 N ATOM 1682 CA GLU B 46 -10.267 -5.442 -13.224 1.00 0.00 C ATOM 1683 C GLU B 46 -10.266 -3.983 -13.675 1.00 0.00 C ATOM 1684 O GLU B 46 -9.978 -3.680 -14.832 1.00 0.00 O ATOM 1685 CB GLU B 46 -11.703 -5.916 -12.997 1.00 0.00 C ATOM 1686 CG GLU B 46 -11.811 -7.397 -12.675 1.00 0.00 C ATOM 1687 CD GLU B 46 -13.245 -7.848 -12.475 1.00 0.00 C ATOM 1688 OE1 GLU B 46 -13.967 -7.196 -11.691 1.00 0.00 O ATOM 1689 OE2 GLU B 46 -13.645 -8.851 -13.101 1.00 0.00 O ATOM 0 H GLU B 46 -10.030 -5.697 -11.157 1.00 0.00 H new ATOM 0 HA GLU B 46 -9.813 -6.047 -14.008 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -12.141 -5.342 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -12.292 -5.703 -13.889 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -11.362 -7.974 -13.483 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.238 -7.612 -11.773 1.00 0.00 H new ATOM 1696 N ARG B 47 -10.592 -3.085 -12.751 1.00 0.00 N ATOM 1697 CA ARG B 47 -10.631 -1.659 -13.052 1.00 0.00 C ATOM 1698 C ARG B 47 -9.271 -1.168 -13.538 1.00 0.00 C ATOM 1699 O ARG B 47 -9.186 -0.297 -14.404 1.00 0.00 O ATOM 1700 CB ARG B 47 -11.060 -0.867 -11.815 1.00 0.00 C ATOM 1701 CG ARG B 47 -9.900 -0.457 -10.923 1.00 0.00 C ATOM 1702 CD ARG B 47 -9.333 0.893 -11.331 1.00 0.00 C ATOM 1703 NE ARG B 47 -9.981 1.995 -10.625 1.00 0.00 N ATOM 1704 CZ ARG B 47 -9.896 3.264 -11.007 1.00 0.00 C ATOM 1705 NH1 ARG B 47 -9.194 3.590 -12.084 1.00 0.00 N ATOM 1706 NH2 ARG B 47 -10.514 4.211 -10.313 1.00 0.00 N ATOM 0 H ARG B 47 -10.833 -3.320 -11.788 1.00 0.00 H new ATOM 0 HA ARG B 47 -11.360 -1.501 -13.847 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.596 0.027 -12.134 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -11.760 -1.468 -11.234 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.234 -0.414 -9.886 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -9.116 -1.212 -10.974 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -8.262 0.913 -11.128 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -9.457 1.028 -12.405 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.529 1.778 -9.793 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -8.718 2.865 -12.621 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -9.130 4.565 -12.375 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -11.056 3.965 -9.484 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.447 5.185 -10.608 1.00 0.00 H new ATOM 1720 N VAL B 48 -8.208 -1.733 -12.973 1.00 0.00 N ATOM 1721 CA VAL B 48 -6.851 -1.354 -13.349 1.00 0.00 C ATOM 1722 C VAL B 48 -6.473 -1.936 -14.706 1.00 0.00 C ATOM 1723 O VAL B 48 -5.814 -1.280 -15.513 1.00 0.00 O ATOM 1724 CB VAL B 48 -5.826 -1.822 -12.299 1.00 0.00 C ATOM 1725 CG1 VAL B 48 -6.116 -1.184 -10.948 1.00 0.00 C ATOM 1726 CG2 VAL B 48 -5.829 -3.340 -12.192 1.00 0.00 C ATOM 0 H VAL B 48 -8.261 -2.454 -12.254 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.831 -0.266 -13.406 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.833 -1.505 -12.619 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -5.382 -1.526 -10.219 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -6.059 -0.099 -11.038 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -7.115 -1.469 -10.618 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -5.099 -3.654 -11.446 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.821 -3.682 -11.896 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.569 -3.773 -13.158 1.00 0.00 H new ATOM 1736 N ARG B 49 -6.895 -3.172 -14.952 1.00 0.00 N ATOM 1737 CA ARG B 49 -6.601 -3.843 -16.212 1.00 0.00 C ATOM 1738 C ARG B 49 -7.162 -3.055 -17.392 1.00 0.00 C ATOM 1739 O ARG B 49 -6.481 -2.854 -18.397 1.00 0.00 O ATOM 1740 CB ARG B 49 -7.182 -5.259 -16.208 1.00 0.00 C ATOM 1741 CG ARG B 49 -6.145 -6.342 -15.960 1.00 0.00 C ATOM 1742 CD ARG B 49 -6.769 -7.577 -15.329 1.00 0.00 C ATOM 1743 NE ARG B 49 -6.402 -8.799 -16.039 1.00 0.00 N ATOM 1744 CZ ARG B 49 -6.655 -10.020 -15.580 1.00 0.00 C ATOM 1745 NH1 ARG B 49 -7.273 -10.180 -14.418 1.00 0.00 N ATOM 1746 NH2 ARG B 49 -6.289 -11.083 -16.284 1.00 0.00 N ATOM 0 H ARG B 49 -7.442 -3.729 -14.295 1.00 0.00 H new ATOM 0 HA ARG B 49 -5.518 -3.902 -16.319 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -7.953 -5.324 -15.441 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -7.668 -5.446 -17.165 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -5.669 -6.614 -16.902 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -5.362 -5.955 -15.308 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -6.451 -7.653 -14.289 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -7.854 -7.473 -15.324 1.00 0.00 H new ATOM 0 HE ARG B 49 -5.925 -8.710 -16.936 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -7.555 -9.365 -13.874 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -7.466 -11.118 -14.068 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -5.813 -10.963 -17.178 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -6.483 -12.020 -15.931 1.00 0.00 H new ATOM 1760 N ALA B 50 -8.408 -2.612 -17.263 1.00 0.00 N ATOM 1761 CA ALA B 50 -9.060 -1.845 -18.317 1.00 0.00 C ATOM 1762 C ALA B 50 -8.436 -0.460 -18.454 1.00 0.00 C ATOM 1763 O ALA B 50 -8.014 -0.065 -19.540 1.00 0.00 O ATOM 1764 CB ALA B 50 -10.551 -1.729 -18.040 1.00 0.00 C ATOM 0 H ALA B 50 -8.987 -2.771 -16.438 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.917 -2.374 -19.259 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.025 -1.154 -18.835 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.992 -2.725 -18.000 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.706 -1.225 -17.086 1.00 0.00 H new ATOM 1770 N GLU B 51 -8.382 0.272 -17.346 1.00 0.00 N ATOM 1771 CA GLU B 51 -7.811 1.614 -17.344 1.00 0.00 C ATOM 1772 C GLU B 51 -6.385 1.599 -17.887 1.00 0.00 C ATOM 1773 O GLU B 51 -6.018 2.425 -18.723 1.00 0.00 O ATOM 1774 CB GLU B 51 -7.824 2.196 -15.929 1.00 0.00 C ATOM 1775 CG GLU B 51 -9.205 2.619 -15.458 1.00 0.00 C ATOM 1776 CD GLU B 51 -9.961 3.415 -16.504 1.00 0.00 C ATOM 1777 OE1 GLU B 51 -9.675 4.622 -16.651 1.00 0.00 O ATOM 1778 OE2 GLU B 51 -10.837 2.832 -17.175 1.00 0.00 O ATOM 0 H GLU B 51 -8.726 -0.041 -16.438 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.422 2.242 -17.993 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -7.424 1.455 -15.237 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.157 3.058 -15.893 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.782 1.733 -15.195 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -9.108 3.217 -14.552 1.00 0.00 H new ATOM 1785 N LEU B 52 -5.586 0.653 -17.406 1.00 0.00 N ATOM 1786 CA LEU B 52 -4.199 0.529 -17.842 1.00 0.00 C ATOM 1787 C LEU B 52 -4.120 0.297 -19.347 1.00 0.00 C ATOM 1788 O LEU B 52 -3.375 0.978 -20.052 1.00 0.00 O ATOM 1789 CB LEU B 52 -3.511 -0.618 -17.100 1.00 0.00 C ATOM 1790 CG LEU B 52 -2.134 -1.027 -17.625 1.00 0.00 C ATOM 1791 CD1 LEU B 52 -1.067 -0.786 -16.569 1.00 0.00 C ATOM 1792 CD2 LEU B 52 -2.140 -2.486 -18.056 1.00 0.00 C ATOM 0 H LEU B 52 -5.874 -0.039 -16.714 1.00 0.00 H new ATOM 0 HA LEU B 52 -3.686 1.462 -17.610 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.409 -0.337 -16.052 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -4.164 -1.490 -17.134 1.00 0.00 H new ATOM 0 HG LEU B 52 -1.901 -0.413 -18.495 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -0.094 -1.083 -16.961 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -1.046 0.272 -16.308 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -1.295 -1.374 -15.680 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -1.152 -2.760 -18.427 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -2.395 -3.116 -17.204 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -2.877 -2.629 -18.846 1.00 0.00 H new ATOM 1804 N ALA B 53 -4.894 -0.667 -19.833 1.00 0.00 N ATOM 1805 CA ALA B 53 -4.915 -0.987 -21.255 1.00 0.00 C ATOM 1806 C ALA B 53 -5.285 0.237 -22.087 1.00 0.00 C ATOM 1807 O ALA B 53 -4.795 0.411 -23.203 1.00 0.00 O ATOM 1808 CB ALA B 53 -5.887 -2.125 -21.526 1.00 0.00 C ATOM 0 H ALA B 53 -5.515 -1.241 -19.263 1.00 0.00 H new ATOM 0 HA ALA B 53 -3.913 -1.303 -21.546 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -5.892 -2.353 -22.592 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -5.578 -3.008 -20.967 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.889 -1.830 -21.213 1.00 0.00 H new ATOM 1814 N ARG B 54 -6.152 1.080 -21.537 1.00 0.00 N ATOM 1815 CA ARG B 54 -6.588 2.287 -22.230 1.00 0.00 C ATOM 1816 C ARG B 54 -5.490 3.346 -22.222 1.00 0.00 C ATOM 1817 O ARG B 54 -5.372 4.139 -23.156 1.00 0.00 O ATOM 1818 CB ARG B 54 -7.854 2.845 -21.577 1.00 0.00 C ATOM 1819 CG ARG B 54 -9.127 2.139 -22.015 1.00 0.00 C ATOM 1820 CD ARG B 54 -10.247 2.332 -21.004 1.00 0.00 C ATOM 1821 NE ARG B 54 -11.498 2.730 -21.643 1.00 0.00 N ATOM 1822 CZ ARG B 54 -11.757 3.970 -22.044 1.00 0.00 C ATOM 1823 NH1 ARG B 54 -10.856 4.927 -21.873 1.00 0.00 N ATOM 1824 NH2 ARG B 54 -12.920 4.253 -22.617 1.00 0.00 N ATOM 0 H ARG B 54 -6.567 0.950 -20.614 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.806 2.023 -23.265 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.759 2.766 -20.494 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.937 3.906 -21.813 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.441 2.522 -22.986 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.929 1.075 -22.142 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.401 1.405 -20.452 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -9.953 3.090 -20.278 1.00 0.00 H new ATOM 0 HE ARG B 54 -12.212 2.017 -21.790 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -9.961 4.712 -21.433 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -11.057 5.878 -22.182 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.615 3.519 -22.750 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.119 5.205 -22.925 1.00 0.00 H new ATOM 1838 N PHE B 55 -4.689 3.352 -21.162 1.00 0.00 N ATOM 1839 CA PHE B 55 -3.601 4.315 -21.032 1.00 0.00 C ATOM 1840 C PHE B 55 -2.389 3.880 -21.852 1.00 0.00 C ATOM 1841 O PHE B 55 -1.650 4.713 -22.378 1.00 0.00 O ATOM 1842 CB PHE B 55 -3.206 4.474 -19.563 1.00 0.00 C ATOM 1843 CG PHE B 55 -2.467 5.750 -19.275 1.00 0.00 C ATOM 1844 CD1 PHE B 55 -2.996 6.973 -19.657 1.00 0.00 C ATOM 1845 CD2 PHE B 55 -1.245 5.727 -18.624 1.00 0.00 C ATOM 1846 CE1 PHE B 55 -2.318 8.148 -19.395 1.00 0.00 C ATOM 1847 CE2 PHE B 55 -0.563 6.900 -18.358 1.00 0.00 C ATOM 1848 CZ PHE B 55 -1.101 8.112 -18.744 1.00 0.00 C ATOM 0 H PHE B 55 -4.772 2.701 -20.381 1.00 0.00 H new ATOM 0 HA PHE B 55 -3.950 5.274 -21.413 1.00 0.00 H new ATOM 0 HB2 PHE B 55 -4.105 4.437 -18.947 1.00 0.00 H new ATOM 0 HB3 PHE B 55 -2.584 3.629 -19.269 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -3.948 7.008 -20.165 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -0.820 4.782 -18.321 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -2.740 9.094 -19.699 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.389 6.868 -17.849 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.571 9.030 -18.537 1.00 0.00 H new ATOM 1858 N LEU B 56 -2.191 2.570 -21.955 1.00 0.00 N ATOM 1859 CA LEU B 56 -1.069 2.023 -22.710 1.00 0.00 C ATOM 1860 C LEU B 56 -1.071 2.545 -24.143 1.00 0.00 C ATOM 1861 O LEU B 56 -0.027 2.914 -24.680 1.00 0.00 O ATOM 1862 CB LEU B 56 -1.128 0.494 -22.712 1.00 0.00 C ATOM 1863 CG LEU B 56 -0.331 -0.209 -21.612 1.00 0.00 C ATOM 1864 CD1 LEU B 56 -0.821 -1.637 -21.429 1.00 0.00 C ATOM 1865 CD2 LEU B 56 1.155 -0.190 -21.935 1.00 0.00 C ATOM 0 H LEU B 56 -2.793 1.867 -21.525 1.00 0.00 H new ATOM 0 HA LEU B 56 -0.146 2.345 -22.227 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -2.171 0.190 -22.628 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.769 0.138 -23.678 1.00 0.00 H new ATOM 0 HG LEU B 56 -0.485 0.329 -20.677 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -0.243 -2.122 -20.643 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -1.875 -1.627 -21.151 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -0.697 -2.187 -22.362 1.00 0.00 H new ATOM 0 HD21 LEU B 56 1.706 -0.695 -21.142 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.328 -0.704 -22.881 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.497 0.842 -22.015 1.00 0.00 H new