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 -88:sc= 0.37 USER MOD Set 1.2: B 20 MET CE :methyl 150:sc= -2.49 (180deg=-3.96!) USER MOD Set 2.1: B 1 MET CE :methyl 147:sc= -6.97! (180deg=-9.96!) USER MOD Set 2.2: B 28 THR OG1 : rot 70:sc= 0.55 USER MOD Set 3.1: A 1 MET CE :methyl 136:sc= -8.06! (180deg=-11.6!) USER MOD Set 3.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.0542 (180deg=-0.67) USER MOD Single : A 3 MET CE :methyl -136:sc= -0.929 (180deg=-3.93!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.08 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.719 K(o=-0.72,f=0.73) USER MOD Single : A 14 GLN : amide:sc= -0.0415 K(o=-0.041,f=-0.99) USER MOD Single : A 19 TYR OH : rot -86:sc= 0.782 USER MOD Single : A 20 MET CE :methyl 154:sc= -2.52 (180deg=-3.76!) USER MOD Single : A 22 THR OG1 : rot -36:sc= 0.237 USER MOD Single : A 23 GLN : amide:sc= -0.357 K(o=-0.36,f=-4!) USER MOD Single : A 30 GLN : amide:sc= -0.0935 X(o=-0.094,f=-0.44) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 21:sc= 0.363 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0641 USER MOD Single : A 44 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.47) USER MOD Single : B 1 MET N :NH3+ -153:sc= -0.0261 (180deg=-0.361) USER MOD Single : B 3 MET CE :methyl -134:sc= -2.58 (180deg=-5.74!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.112 USER MOD Single : B 6 SER OG : rot 38:sc= 0.0034 USER MOD Single : B 9 ASN : amide:sc= -0.794 K(o=-0.79,f=0.83) USER MOD Single : B 14 GLN : amide:sc= -0.0795 K(o=-0.08,f=-0.98) USER MOD Single : B 22 THR OG1 : rot -30:sc= 0.21 USER MOD Single : B 23 GLN : amide:sc= -0.623 K(o=-0.62,f=-3.5!) USER MOD Single : B 30 GLN : amide:sc= -0.0591 X(o=-0.059,f=-0.32) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 SER OG : rot 22:sc= 0.194 USER MOD Single : B 43 SER OG : rot 180:sc= 0.0676 USER MOD Single : B 44 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.031 -10.618 -3.781 1.00 0.00 N ATOM 2 CA MET A 1 -1.445 -9.773 -4.816 1.00 0.00 C ATOM 3 C MET A 1 -1.533 -10.447 -6.181 1.00 0.00 C ATOM 4 O MET A 1 -1.098 -11.586 -6.352 1.00 0.00 O ATOM 5 CB MET A 1 0.014 -9.460 -4.482 1.00 0.00 C ATOM 6 CG MET A 1 0.205 -8.857 -3.099 1.00 0.00 C ATOM 7 SD MET A 1 1.106 -7.295 -3.140 1.00 0.00 S ATOM 8 CE MET A 1 0.130 -6.374 -4.326 1.00 0.00 C ATOM 0 H1 MET A 1 -2.425 -10.020 -3.026 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.789 -11.198 -4.194 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.298 -11.239 -3.383 1.00 0.00 H new ATOM 0 HA MET A 1 -2.010 -8.841 -4.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.599 -10.377 -4.554 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.409 -8.770 -5.228 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.770 -8.697 -2.639 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.743 -9.566 -2.469 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.023 -5.359 -3.961 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.654 -6.341 -5.281 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.836 -6.861 -4.459 1.00 0.00 H new ATOM 18 N LEU A 2 -2.100 -9.736 -7.151 1.00 0.00 N ATOM 19 CA LEU A 2 -2.245 -10.266 -8.502 1.00 0.00 C ATOM 20 C LEU A 2 -1.494 -9.401 -9.510 1.00 0.00 C ATOM 21 O LEU A 2 -1.739 -8.200 -9.616 1.00 0.00 O ATOM 22 CB LEU A 2 -3.724 -10.345 -8.884 1.00 0.00 C ATOM 23 CG LEU A 2 -4.107 -11.457 -9.861 1.00 0.00 C ATOM 24 CD1 LEU A 2 -5.562 -11.321 -10.281 1.00 0.00 C ATOM 25 CD2 LEU A 2 -3.194 -11.434 -11.079 1.00 0.00 C ATOM 0 H LEU A 2 -2.466 -8.792 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.817 -11.268 -8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.308 -10.473 -7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.018 -9.390 -9.319 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.984 -12.416 -9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.816 -12.121 -10.976 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.202 -11.387 -9.401 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.712 -10.357 -10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.481 -12.232 -11.764 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.285 -10.472 -11.584 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.161 -11.581 -10.763 1.00 0.00 H new ATOM 37 N MET A 3 -0.580 -10.021 -10.248 1.00 0.00 N ATOM 38 CA MET A 3 0.205 -9.308 -11.250 1.00 0.00 C ATOM 39 C MET A 3 -0.704 -8.634 -12.273 1.00 0.00 C ATOM 40 O MET A 3 -1.555 -9.282 -12.883 1.00 0.00 O ATOM 41 CB MET A 3 1.164 -10.269 -11.956 1.00 0.00 C ATOM 42 CG MET A 3 2.529 -9.664 -12.242 1.00 0.00 C ATOM 43 SD MET A 3 3.383 -10.488 -13.599 1.00 0.00 S ATOM 44 CE MET A 3 3.745 -9.096 -14.666 1.00 0.00 C ATOM 0 H MET A 3 -0.364 -11.015 -10.172 1.00 0.00 H new ATOM 0 HA MET A 3 0.784 -8.537 -10.742 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.292 -11.159 -11.340 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.715 -10.593 -12.895 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.411 -8.607 -12.481 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.143 -9.721 -11.343 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.523 -9.362 -15.699 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.133 -8.243 -14.372 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.799 -8.834 -14.577 1.00 0.00 H new ATOM 54 N ILE A 4 -0.517 -7.331 -12.456 1.00 0.00 N ATOM 55 CA ILE A 4 -1.320 -6.571 -13.406 1.00 0.00 C ATOM 56 C ILE A 4 -0.658 -6.536 -14.780 1.00 0.00 C ATOM 57 O ILE A 4 -1.302 -6.788 -15.799 1.00 0.00 O ATOM 58 CB ILE A 4 -1.548 -5.127 -12.921 1.00 0.00 C ATOM 59 CG1 ILE A 4 -2.554 -5.106 -11.769 1.00 0.00 C ATOM 60 CG2 ILE A 4 -2.031 -4.253 -14.069 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.854 -5.810 -12.088 1.00 0.00 C ATOM 0 H ILE A 4 0.183 -6.780 -11.959 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.283 -7.076 -13.482 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.601 -4.727 -12.559 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.102 -5.574 -10.894 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.767 -4.071 -11.502 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.188 -3.236 -13.711 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.283 -4.247 -14.862 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.969 -4.649 -14.458 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.519 -5.755 -11.226 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.328 -5.328 -12.943 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.653 -6.855 -12.326 1.00 0.00 H new ATOM 73 N THR A 5 0.633 -6.221 -14.801 1.00 0.00 N ATOM 74 CA THR A 5 1.383 -6.153 -16.049 1.00 0.00 C ATOM 75 C THR A 5 2.853 -5.842 -15.791 1.00 0.00 C ATOM 76 O THR A 5 3.285 -5.750 -14.642 1.00 0.00 O ATOM 77 CB THR A 5 0.803 -5.086 -16.996 1.00 0.00 C ATOM 78 OG1 THR A 5 1.362 -5.236 -18.305 1.00 0.00 O ATOM 79 CG2 THR A 5 1.089 -3.686 -16.473 1.00 0.00 C ATOM 0 H THR A 5 1.181 -6.009 -13.967 1.00 0.00 H new ATOM 0 HA THR A 5 1.299 -7.132 -16.522 1.00 0.00 H new ATOM 0 HB THR A 5 -0.277 -5.224 -17.046 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.987 -4.555 -18.901 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.670 -2.949 -17.158 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.636 -3.566 -15.489 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.166 -3.539 -16.397 1.00 0.00 H new ATOM 87 N SER A 6 3.616 -5.681 -16.867 1.00 0.00 N ATOM 88 CA SER A 6 5.040 -5.384 -16.757 1.00 0.00 C ATOM 89 C SER A 6 5.438 -4.270 -17.720 1.00 0.00 C ATOM 90 O SER A 6 4.854 -4.124 -18.794 1.00 0.00 O ATOM 91 CB SER A 6 5.868 -6.638 -17.039 1.00 0.00 C ATOM 92 OG SER A 6 5.366 -7.338 -18.165 1.00 0.00 O ATOM 0 H SER A 6 3.273 -5.751 -17.825 1.00 0.00 H new ATOM 0 HA SER A 6 5.238 -5.049 -15.739 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.907 -6.360 -17.214 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.855 -7.290 -16.166 1.00 0.00 H new ATOM 0 HG SER A 6 5.913 -8.135 -18.326 1.00 0.00 H new ATOM 98 N PHE A 7 6.437 -3.486 -17.328 1.00 0.00 N ATOM 99 CA PHE A 7 6.914 -2.383 -18.155 1.00 0.00 C ATOM 100 C PHE A 7 8.425 -2.462 -18.347 1.00 0.00 C ATOM 101 O PHE A 7 9.120 -3.161 -17.610 1.00 0.00 O ATOM 102 CB PHE A 7 6.538 -1.042 -17.521 1.00 0.00 C ATOM 103 CG PHE A 7 5.062 -0.763 -17.540 1.00 0.00 C ATOM 104 CD1 PHE A 7 4.318 -0.974 -18.690 1.00 0.00 C ATOM 105 CD2 PHE A 7 4.419 -0.290 -16.408 1.00 0.00 C ATOM 106 CE1 PHE A 7 2.961 -0.717 -18.710 1.00 0.00 C ATOM 107 CE2 PHE A 7 3.061 -0.031 -16.422 1.00 0.00 C ATOM 108 CZ PHE A 7 2.331 -0.246 -17.574 1.00 0.00 C ATOM 0 H PHE A 7 6.932 -3.594 -16.443 1.00 0.00 H new ATOM 0 HA PHE A 7 6.437 -2.461 -19.132 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.890 -1.026 -16.489 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.058 -0.242 -18.048 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.805 -1.344 -19.581 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.985 -0.122 -15.504 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.393 -0.884 -19.613 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.572 0.339 -15.533 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.270 -0.046 -17.587 1.00 0.00 H new ATOM 118 N ALA A 8 8.927 -1.740 -19.343 1.00 0.00 N ATOM 119 CA ALA A 8 10.356 -1.727 -19.633 1.00 0.00 C ATOM 120 C ALA A 8 10.948 -0.339 -19.408 1.00 0.00 C ATOM 121 O ALA A 8 11.918 0.045 -20.061 1.00 0.00 O ATOM 122 CB ALA A 8 10.610 -2.186 -21.060 1.00 0.00 C ATOM 0 H ALA A 8 8.366 -1.156 -19.963 1.00 0.00 H new ATOM 0 HA ALA A 8 10.847 -2.419 -18.949 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.681 -2.171 -21.262 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.231 -3.200 -21.189 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.101 -1.517 -21.754 1.00 0.00 H new ATOM 128 N ASN A 9 10.358 0.408 -18.481 1.00 0.00 N ATOM 129 CA ASN A 9 10.828 1.754 -18.171 1.00 0.00 C ATOM 130 C ASN A 9 10.316 2.208 -16.808 1.00 0.00 C ATOM 131 O ASN A 9 9.201 1.885 -16.396 1.00 0.00 O ATOM 132 CB ASN A 9 10.373 2.736 -19.253 1.00 0.00 C ATOM 133 CG ASN A 9 11.526 3.241 -20.098 1.00 0.00 C ATOM 134 OD1 ASN A 9 12.073 2.508 -20.923 1.00 0.00 O ATOM 135 ND2 ASN A 9 11.902 4.498 -19.895 1.00 0.00 N ATOM 0 H ASN A 9 9.554 0.105 -17.931 1.00 0.00 H new ATOM 0 HA ASN A 9 11.917 1.735 -18.142 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.641 2.249 -19.897 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.872 3.583 -18.784 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.673 4.893 -20.433 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.420 5.069 -19.201 1.00 0.00 H new ATOM 142 N PRO A 10 11.148 2.976 -16.089 1.00 0.00 N ATOM 143 CA PRO A 10 10.802 3.493 -14.762 1.00 0.00 C ATOM 144 C PRO A 10 9.712 4.558 -14.821 1.00 0.00 C ATOM 145 O PRO A 10 8.738 4.506 -14.070 1.00 0.00 O ATOM 146 CB PRO A 10 12.116 4.098 -14.263 1.00 0.00 C ATOM 147 CG PRO A 10 12.869 4.442 -15.501 1.00 0.00 C ATOM 148 CD PRO A 10 12.492 3.400 -16.518 1.00 0.00 C ATOM 0 HA PRO A 10 10.403 2.714 -14.112 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.937 4.981 -13.650 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.669 3.389 -13.647 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.609 5.441 -15.851 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.944 4.438 -15.318 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.481 3.810 -17.528 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.195 2.567 -16.520 1.00 0.00 H new ATOM 156 N ARG A 11 9.883 5.523 -15.718 1.00 0.00 N ATOM 157 CA ARG A 11 8.914 6.602 -15.874 1.00 0.00 C ATOM 158 C ARG A 11 7.501 6.046 -16.022 1.00 0.00 C ATOM 159 O ARG A 11 6.578 6.475 -15.331 1.00 0.00 O ATOM 160 CB ARG A 11 9.266 7.460 -17.090 1.00 0.00 C ATOM 161 CG ARG A 11 8.943 8.934 -16.909 1.00 0.00 C ATOM 162 CD ARG A 11 8.417 9.551 -18.196 1.00 0.00 C ATOM 163 NE ARG A 11 7.810 10.860 -17.967 1.00 0.00 N ATOM 164 CZ ARG A 11 6.659 11.034 -17.328 1.00 0.00 C ATOM 165 NH1 ARG A 11 5.993 9.989 -16.857 1.00 0.00 N ATOM 166 NH2 ARG A 11 6.171 12.257 -17.160 1.00 0.00 N ATOM 0 H ARG A 11 10.683 5.580 -16.348 1.00 0.00 H new ATOM 0 HA ARG A 11 8.950 7.222 -14.978 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.329 7.353 -17.304 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.727 7.083 -17.959 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.202 9.051 -16.119 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.838 9.467 -16.588 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.234 9.650 -18.911 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.681 8.883 -18.644 1.00 0.00 H new ATOM 0 HE ARG A 11 8.297 11.685 -18.317 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.364 9.048 -16.985 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.109 10.126 -16.367 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.680 13.063 -17.522 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.287 12.390 -16.669 1.00 0.00 H new ATOM 180 N VAL A 12 7.340 5.088 -16.930 1.00 0.00 N ATOM 181 CA VAL A 12 6.040 4.472 -17.169 1.00 0.00 C ATOM 182 C VAL A 12 5.497 3.824 -15.900 1.00 0.00 C ATOM 183 O VAL A 12 4.375 4.104 -15.479 1.00 0.00 O ATOM 184 CB VAL A 12 6.118 3.410 -18.282 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.790 2.681 -18.417 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.521 4.051 -19.601 1.00 0.00 C ATOM 0 H VAL A 12 8.094 4.722 -17.512 1.00 0.00 H new ATOM 0 HA VAL A 12 5.366 5.268 -17.484 1.00 0.00 H new ATOM 0 HB VAL A 12 6.880 2.679 -18.012 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.863 1.935 -19.208 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.548 2.189 -17.475 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.006 3.396 -18.665 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.571 3.287 -20.377 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.783 4.803 -19.880 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.498 4.523 -19.493 1.00 0.00 H new ATOM 196 N ALA A 13 6.301 2.957 -15.295 1.00 0.00 N ATOM 197 CA ALA A 13 5.903 2.270 -14.072 1.00 0.00 C ATOM 198 C ALA A 13 5.365 3.255 -13.040 1.00 0.00 C ATOM 199 O ALA A 13 4.238 3.116 -12.566 1.00 0.00 O ATOM 200 CB ALA A 13 7.077 1.490 -13.498 1.00 0.00 C ATOM 0 H ALA A 13 7.232 2.713 -15.632 1.00 0.00 H new ATOM 0 HA ALA A 13 5.104 1.571 -14.321 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.765 0.982 -12.585 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.415 0.753 -14.226 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.893 2.176 -13.271 1.00 0.00 H new ATOM 206 N GLN A 14 6.178 4.248 -12.696 1.00 0.00 N ATOM 207 CA GLN A 14 5.783 5.255 -11.718 1.00 0.00 C ATOM 208 C GLN A 14 4.524 5.987 -12.170 1.00 0.00 C ATOM 209 O GLN A 14 3.557 6.101 -11.417 1.00 0.00 O ATOM 210 CB GLN A 14 6.918 6.256 -11.498 1.00 0.00 C ATOM 211 CG GLN A 14 6.530 7.433 -10.618 1.00 0.00 C ATOM 212 CD GLN A 14 6.065 7.003 -9.241 1.00 0.00 C ATOM 213 OE1 GLN A 14 6.443 5.939 -8.749 1.00 0.00 O ATOM 214 NE2 GLN A 14 5.240 7.830 -8.609 1.00 0.00 N ATOM 0 H GLN A 14 7.114 4.377 -13.080 1.00 0.00 H new ATOM 0 HA GLN A 14 5.569 4.748 -10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.765 5.739 -11.046 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.253 6.631 -12.465 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.384 8.103 -10.516 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.736 8.000 -11.105 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.952 8.702 -9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.894 7.593 -7.679 1.00 0.00 H new ATOM 223 N ALA A 15 4.543 6.483 -13.403 1.00 0.00 N ATOM 224 CA ALA A 15 3.402 7.202 -13.955 1.00 0.00 C ATOM 225 C ALA A 15 2.118 6.394 -13.805 1.00 0.00 C ATOM 226 O ALA A 15 1.092 6.916 -13.368 1.00 0.00 O ATOM 227 CB ALA A 15 3.649 7.539 -15.418 1.00 0.00 C ATOM 0 H ALA A 15 5.337 6.400 -14.038 1.00 0.00 H new ATOM 0 HA ALA A 15 3.283 8.129 -13.395 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.789 8.076 -15.818 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.538 8.164 -15.502 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.797 6.619 -15.983 1.00 0.00 H new ATOM 233 N PHE A 16 2.182 5.118 -14.170 1.00 0.00 N ATOM 234 CA PHE A 16 1.023 4.238 -14.077 1.00 0.00 C ATOM 235 C PHE A 16 0.506 4.169 -12.643 1.00 0.00 C ATOM 236 O PHE A 16 -0.635 4.538 -12.364 1.00 0.00 O ATOM 237 CB PHE A 16 1.381 2.834 -14.570 1.00 0.00 C ATOM 238 CG PHE A 16 0.955 2.570 -15.986 1.00 0.00 C ATOM 239 CD1 PHE A 16 1.759 2.951 -17.048 1.00 0.00 C ATOM 240 CD2 PHE A 16 -0.249 1.940 -16.255 1.00 0.00 C ATOM 241 CE1 PHE A 16 1.369 2.709 -18.352 1.00 0.00 C ATOM 242 CE2 PHE A 16 -0.645 1.695 -17.557 1.00 0.00 C ATOM 243 CZ PHE A 16 0.166 2.079 -18.606 1.00 0.00 C ATOM 0 H PHE A 16 3.024 4.670 -14.533 1.00 0.00 H new ATOM 0 HA PHE A 16 0.235 4.648 -14.709 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.459 2.694 -14.491 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.915 2.098 -13.915 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.701 3.443 -16.855 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.886 1.636 -15.438 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.004 3.012 -19.171 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.587 1.204 -17.753 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.140 1.887 -19.624 1.00 0.00 H new ATOM 253 N VAL A 17 1.353 3.691 -11.737 1.00 0.00 N ATOM 254 CA VAL A 17 0.984 3.574 -10.332 1.00 0.00 C ATOM 255 C VAL A 17 0.567 4.923 -9.758 1.00 0.00 C ATOM 256 O VAL A 17 -0.143 4.990 -8.754 1.00 0.00 O ATOM 257 CB VAL A 17 2.144 3.008 -9.492 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.547 1.630 -9.996 1.00 0.00 C ATOM 259 CG2 VAL A 17 3.331 3.960 -9.513 1.00 0.00 C ATOM 0 H VAL A 17 2.300 3.378 -11.952 1.00 0.00 H new ATOM 0 HA VAL A 17 0.140 2.886 -10.284 1.00 0.00 H new ATOM 0 HB VAL A 17 1.806 2.907 -8.461 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.368 1.247 -9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.696 0.953 -9.924 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.866 1.702 -11.036 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.141 3.544 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.671 4.095 -10.540 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.032 4.923 -9.100 1.00 0.00 H new ATOM 269 N ASP A 18 1.011 5.996 -10.402 1.00 0.00 N ATOM 270 CA ASP A 18 0.683 7.346 -9.957 1.00 0.00 C ATOM 271 C ASP A 18 -0.790 7.657 -10.206 1.00 0.00 C ATOM 272 O ASP A 18 -1.537 7.956 -9.274 1.00 0.00 O ATOM 273 CB ASP A 18 1.562 8.371 -10.676 1.00 0.00 C ATOM 274 CG ASP A 18 1.503 9.740 -10.028 1.00 0.00 C ATOM 275 OD1 ASP A 18 1.151 9.815 -8.832 1.00 0.00 O ATOM 276 OD2 ASP A 18 1.810 10.736 -10.716 1.00 0.00 O ATOM 0 H ASP A 18 1.599 5.958 -11.234 1.00 0.00 H new ATOM 0 HA ASP A 18 0.872 7.405 -8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.594 8.020 -10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.246 8.451 -11.716 1.00 0.00 H new ATOM 281 N TYR A 19 -1.199 7.585 -11.467 1.00 0.00 N ATOM 282 CA TYR A 19 -2.582 7.862 -11.838 1.00 0.00 C ATOM 283 C TYR A 19 -3.527 6.832 -11.227 1.00 0.00 C ATOM 284 O TYR A 19 -4.719 7.090 -11.058 1.00 0.00 O ATOM 285 CB TYR A 19 -2.732 7.867 -13.361 1.00 0.00 C ATOM 286 CG TYR A 19 -3.171 6.538 -13.931 1.00 0.00 C ATOM 287 CD1 TYR A 19 -4.509 6.162 -13.917 1.00 0.00 C ATOM 288 CD2 TYR A 19 -2.249 5.657 -14.483 1.00 0.00 C ATOM 289 CE1 TYR A 19 -4.915 4.948 -14.436 1.00 0.00 C ATOM 290 CE2 TYR A 19 -2.646 4.442 -15.005 1.00 0.00 C ATOM 291 CZ TYR A 19 -3.980 4.091 -14.980 1.00 0.00 C ATOM 292 OH TYR A 19 -4.379 2.881 -15.498 1.00 0.00 O ATOM 0 H TYR A 19 -0.593 7.337 -12.250 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.845 8.846 -11.450 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.456 8.631 -13.644 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.780 8.149 -13.810 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.244 6.830 -13.493 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.204 5.927 -14.504 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.959 4.671 -14.416 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.916 3.770 -15.431 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.414 2.214 -14.781 1.00 0.00 H new ATOM 302 N MET A 20 -2.986 5.664 -10.897 1.00 0.00 N ATOM 303 CA MET A 20 -3.779 4.595 -10.302 1.00 0.00 C ATOM 304 C MET A 20 -3.989 4.838 -8.811 1.00 0.00 C ATOM 305 O MET A 20 -5.081 4.623 -8.285 1.00 0.00 O ATOM 306 CB MET A 20 -3.097 3.243 -10.519 1.00 0.00 C ATOM 307 CG MET A 20 -2.955 2.862 -11.984 1.00 0.00 C ATOM 308 SD MET A 20 -4.194 1.664 -12.514 1.00 0.00 S ATOM 309 CE MET A 20 -5.704 2.548 -12.133 1.00 0.00 C ATOM 0 H MET A 20 -2.001 5.434 -11.032 1.00 0.00 H new ATOM 0 HA MET A 20 -4.753 4.585 -10.791 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.108 3.266 -10.061 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.669 2.470 -10.005 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.037 3.759 -12.598 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.960 2.449 -12.153 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.506 2.196 -12.782 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.976 2.372 -11.092 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.551 3.615 -12.292 1.00 0.00 H new ATOM 319 N ALA A 21 -2.936 5.288 -8.136 1.00 0.00 N ATOM 320 CA ALA A 21 -3.006 5.562 -6.706 1.00 0.00 C ATOM 321 C ALA A 21 -3.917 6.751 -6.419 1.00 0.00 C ATOM 322 O ALA A 21 -4.706 6.729 -5.474 1.00 0.00 O ATOM 323 CB ALA A 21 -1.613 5.814 -6.148 1.00 0.00 C ATOM 0 H ALA A 21 -2.025 5.470 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.429 4.687 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.680 6.017 -5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.991 4.934 -6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.168 6.672 -6.653 1.00 0.00 H new ATOM 329 N THR A 22 -3.802 7.791 -7.239 1.00 0.00 N ATOM 330 CA THR A 22 -4.613 8.990 -7.072 1.00 0.00 C ATOM 331 C THR A 22 -6.075 8.716 -7.405 1.00 0.00 C ATOM 332 O THR A 22 -6.952 9.523 -7.099 1.00 0.00 O ATOM 333 CB THR A 22 -4.103 10.141 -7.960 1.00 0.00 C ATOM 334 OG1 THR A 22 -4.789 11.354 -7.631 1.00 0.00 O ATOM 335 CG2 THR A 22 -4.309 9.820 -9.433 1.00 0.00 C ATOM 0 H THR A 22 -3.154 7.827 -8.026 1.00 0.00 H new ATOM 0 HA THR A 22 -4.531 9.284 -6.026 1.00 0.00 H new ATOM 0 HB THR A 22 -3.036 10.266 -7.777 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.720 11.151 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.941 10.647 -10.040 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.762 8.912 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.371 9.671 -9.628 1.00 0.00 H new ATOM 343 N GLN A 23 -6.329 7.572 -8.033 1.00 0.00 N ATOM 344 CA GLN A 23 -7.687 7.193 -8.407 1.00 0.00 C ATOM 345 C GLN A 23 -8.308 6.284 -7.351 1.00 0.00 C ATOM 346 O GLN A 23 -9.478 5.917 -7.445 1.00 0.00 O ATOM 347 CB GLN A 23 -7.686 6.490 -9.766 1.00 0.00 C ATOM 348 CG GLN A 23 -7.660 7.448 -10.946 1.00 0.00 C ATOM 349 CD GLN A 23 -8.960 8.210 -11.107 1.00 0.00 C ATOM 350 OE1 GLN A 23 -9.867 7.772 -11.816 1.00 0.00 O ATOM 351 NE2 GLN A 23 -9.059 9.359 -10.449 1.00 0.00 N ATOM 0 H GLN A 23 -5.614 6.893 -8.293 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.286 8.101 -8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.820 5.831 -9.824 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.572 5.859 -9.840 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.842 8.156 -10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.456 6.889 -11.859 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.283 9.685 -9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.911 9.916 -10.520 1.00 0.00 H new ATOM 360 N GLY A 24 -7.515 5.923 -6.347 1.00 0.00 N ATOM 361 CA GLY A 24 -8.005 5.060 -5.288 1.00 0.00 C ATOM 362 C GLY A 24 -7.538 3.627 -5.446 1.00 0.00 C ATOM 363 O GLY A 24 -8.091 2.714 -4.833 1.00 0.00 O ATOM 0 H GLY A 24 -6.542 6.213 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.669 5.445 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.095 5.085 -5.278 1.00 0.00 H new ATOM 367 N VAL A 25 -6.516 3.427 -6.273 1.00 0.00 N ATOM 368 CA VAL A 25 -5.974 2.094 -6.510 1.00 0.00 C ATOM 369 C VAL A 25 -4.463 2.071 -6.309 1.00 0.00 C ATOM 370 O VAL A 25 -3.714 2.659 -7.090 1.00 0.00 O ATOM 371 CB VAL A 25 -6.299 1.602 -7.933 1.00 0.00 C ATOM 372 CG1 VAL A 25 -5.966 0.125 -8.076 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.761 1.862 -8.265 1.00 0.00 C ATOM 0 H VAL A 25 -6.047 4.171 -6.790 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.444 1.428 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.685 2.159 -8.641 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.202 -0.205 -9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.904 -0.029 -7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.552 -0.451 -7.360 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.973 1.508 -9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.395 1.333 -7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.963 2.931 -8.205 1.00 0.00 H new ATOM 383 N ILE A 26 -4.022 1.388 -5.258 1.00 0.00 N ATOM 384 CA ILE A 26 -2.600 1.287 -4.956 1.00 0.00 C ATOM 385 C ILE A 26 -1.934 0.204 -5.797 1.00 0.00 C ATOM 386 O ILE A 26 -2.449 -0.909 -5.918 1.00 0.00 O ATOM 387 CB ILE A 26 -2.362 0.982 -3.465 1.00 0.00 C ATOM 388 CG1 ILE A 26 -2.967 2.084 -2.593 1.00 0.00 C ATOM 389 CG2 ILE A 26 -0.873 0.835 -3.185 1.00 0.00 C ATOM 390 CD1 ILE A 26 -2.370 3.450 -2.845 1.00 0.00 C ATOM 0 H ILE A 26 -4.629 0.897 -4.602 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.157 2.253 -5.197 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.853 0.040 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.042 2.128 -2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.828 1.823 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.721 0.620 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.469 0.018 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.361 1.762 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.846 4.181 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.300 3.423 -2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.533 3.732 -3.885 1.00 0.00 H new ATOM 402 N LEU A 27 -0.785 0.535 -6.377 1.00 0.00 N ATOM 403 CA LEU A 27 -0.047 -0.410 -7.207 1.00 0.00 C ATOM 404 C LEU A 27 1.396 -0.543 -6.729 1.00 0.00 C ATOM 405 O LEU A 27 1.912 0.328 -6.028 1.00 0.00 O ATOM 406 CB LEU A 27 -0.072 0.037 -8.669 1.00 0.00 C ATOM 407 CG LEU A 27 -1.341 -0.301 -9.453 1.00 0.00 C ATOM 408 CD1 LEU A 27 -1.238 0.209 -10.882 1.00 0.00 C ATOM 409 CD2 LEU A 27 -1.595 -1.801 -9.437 1.00 0.00 C ATOM 0 H LEU A 27 -0.345 1.451 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.530 -1.384 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.074 1.117 -8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.778 -0.414 -9.181 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.184 0.195 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.150 -0.041 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.106 1.291 -10.874 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.384 -0.257 -11.374 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.502 -2.022 -10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.750 -2.318 -9.892 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.715 -2.139 -8.408 1.00 0.00 H new ATOM 421 N THR A 28 2.043 -1.639 -7.114 1.00 0.00 N ATOM 422 CA THR A 28 3.426 -1.886 -6.726 1.00 0.00 C ATOM 423 C THR A 28 4.293 -2.188 -7.943 1.00 0.00 C ATOM 424 O THR A 28 3.909 -2.974 -8.810 1.00 0.00 O ATOM 425 CB THR A 28 3.530 -3.058 -5.732 1.00 0.00 C ATOM 426 OG1 THR A 28 2.250 -3.315 -5.142 1.00 0.00 O ATOM 427 CG2 THR A 28 4.545 -2.754 -4.640 1.00 0.00 C ATOM 0 H THR A 28 1.631 -2.370 -7.694 1.00 0.00 H new ATOM 0 HA THR A 28 3.786 -0.977 -6.244 1.00 0.00 H new ATOM 0 HB THR A 28 3.862 -3.941 -6.279 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.324 -4.063 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.601 -3.596 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.524 -2.588 -5.089 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.238 -1.860 -4.097 1.00 0.00 H new ATOM 435 N ILE A 29 5.462 -1.560 -8.000 1.00 0.00 N ATOM 436 CA ILE A 29 6.384 -1.764 -9.111 1.00 0.00 C ATOM 437 C ILE A 29 7.602 -2.570 -8.673 1.00 0.00 C ATOM 438 O ILE A 29 8.093 -2.413 -7.556 1.00 0.00 O ATOM 439 CB ILE A 29 6.856 -0.423 -9.704 1.00 0.00 C ATOM 440 CG1 ILE A 29 5.664 0.367 -10.246 1.00 0.00 C ATOM 441 CG2 ILE A 29 7.883 -0.662 -10.801 1.00 0.00 C ATOM 442 CD1 ILE A 29 5.014 -0.271 -11.454 1.00 0.00 C ATOM 0 H ILE A 29 5.793 -0.906 -7.291 1.00 0.00 H new ATOM 0 HA ILE A 29 5.840 -2.319 -9.875 1.00 0.00 H new ATOM 0 HB ILE A 29 7.326 0.162 -8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.920 0.473 -9.457 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.994 1.372 -10.510 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.207 0.295 -11.211 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.742 -1.189 -10.386 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.436 -1.263 -11.593 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.177 0.344 -11.784 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.744 -0.352 -12.260 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.653 -1.265 -11.190 1.00 0.00 H new ATOM 454 N GLN A 30 8.085 -3.432 -9.563 1.00 0.00 N ATOM 455 CA GLN A 30 9.247 -4.262 -9.268 1.00 0.00 C ATOM 456 C GLN A 30 10.344 -4.052 -10.307 1.00 0.00 C ATOM 457 O GLN A 30 10.263 -4.570 -11.421 1.00 0.00 O ATOM 458 CB GLN A 30 8.847 -5.738 -9.222 1.00 0.00 C ATOM 459 CG GLN A 30 8.669 -6.277 -7.812 1.00 0.00 C ATOM 460 CD GLN A 30 9.771 -7.238 -7.411 1.00 0.00 C ATOM 461 OE1 GLN A 30 10.170 -8.104 -8.190 1.00 0.00 O ATOM 462 NE2 GLN A 30 10.270 -7.090 -6.189 1.00 0.00 N ATOM 0 H GLN A 30 7.690 -3.573 -10.493 1.00 0.00 H new ATOM 0 HA GLN A 30 9.635 -3.967 -8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.916 -5.871 -9.773 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.607 -6.328 -9.734 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.645 -5.444 -7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.706 -6.783 -7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.910 -6.359 -5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.014 -7.708 -5.864 1.00 0.00 H new ATOM 471 N GLN A 31 11.367 -3.290 -9.935 1.00 0.00 N ATOM 472 CA GLN A 31 12.479 -3.011 -10.836 1.00 0.00 C ATOM 473 C GLN A 31 13.583 -4.051 -10.676 1.00 0.00 C ATOM 474 O GLN A 31 14.212 -4.147 -9.622 1.00 0.00 O ATOM 475 CB GLN A 31 13.038 -1.612 -10.572 1.00 0.00 C ATOM 476 CG GLN A 31 13.235 -0.787 -11.834 1.00 0.00 C ATOM 477 CD GLN A 31 14.583 -0.095 -11.874 1.00 0.00 C ATOM 478 OE1 GLN A 31 14.844 0.826 -11.099 1.00 0.00 O ATOM 479 NE2 GLN A 31 15.448 -0.535 -12.780 1.00 0.00 N ATOM 0 H GLN A 31 11.449 -2.855 -9.016 1.00 0.00 H new ATOM 0 HA GLN A 31 12.106 -3.058 -11.859 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.362 -1.080 -9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.993 -1.703 -10.055 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.137 -1.434 -12.706 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.445 -0.039 -11.902 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.190 -1.301 -13.402 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.371 -0.107 -12.854 1.00 0.00 H new ATOM 536 N SER A 35 23.639 -6.993 -13.037 1.00 0.00 N ATOM 537 CA SER A 35 24.727 -6.641 -13.941 1.00 0.00 C ATOM 538 C SER A 35 25.603 -7.855 -14.236 1.00 0.00 C ATOM 539 O SER A 35 26.462 -8.223 -13.435 1.00 0.00 O ATOM 540 CB SER A 35 25.576 -5.519 -13.339 1.00 0.00 C ATOM 541 OG SER A 35 24.764 -4.562 -12.682 1.00 0.00 O ATOM 0 HA SER A 35 24.290 -6.294 -14.877 1.00 0.00 H new ATOM 0 HB2 SER A 35 26.292 -5.939 -12.633 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.152 -5.033 -14.126 1.00 0.00 H new ATOM 0 HG SER A 35 23.898 -4.964 -12.462 1.00 0.00 H new ATOM 547 N ASP A 36 25.378 -8.472 -15.391 1.00 0.00 N ATOM 548 CA ASP A 36 26.147 -9.644 -15.794 1.00 0.00 C ATOM 549 C ASP A 36 27.447 -9.232 -16.478 1.00 0.00 C ATOM 550 O ASP A 36 27.438 -8.468 -17.443 1.00 0.00 O ATOM 551 CB ASP A 36 25.320 -10.525 -16.731 1.00 0.00 C ATOM 552 CG ASP A 36 26.185 -11.381 -17.635 1.00 0.00 C ATOM 553 OD1 ASP A 36 27.196 -11.927 -17.146 1.00 0.00 O ATOM 554 OD2 ASP A 36 25.851 -11.505 -18.832 1.00 0.00 O ATOM 0 H ASP A 36 24.670 -8.180 -16.064 1.00 0.00 H new ATOM 0 HA ASP A 36 26.394 -10.212 -14.897 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.669 -11.169 -16.139 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.674 -9.894 -17.342 1.00 0.00 H new ATOM 559 N VAL A 37 28.564 -9.743 -15.971 1.00 0.00 N ATOM 560 CA VAL A 37 29.873 -9.429 -16.532 1.00 0.00 C ATOM 561 C VAL A 37 30.370 -10.556 -17.431 1.00 0.00 C ATOM 562 O VAL A 37 30.539 -11.691 -16.985 1.00 0.00 O ATOM 563 CB VAL A 37 30.912 -9.174 -15.425 1.00 0.00 C ATOM 564 CG1 VAL A 37 32.087 -8.376 -15.969 1.00 0.00 C ATOM 565 CG2 VAL A 37 30.270 -8.457 -14.247 1.00 0.00 C ATOM 0 H VAL A 37 28.589 -10.377 -15.172 1.00 0.00 H new ATOM 0 HA VAL A 37 29.754 -8.521 -17.124 1.00 0.00 H new ATOM 0 HB VAL A 37 31.288 -10.135 -15.075 1.00 0.00 H new ATOM 0 HG11 VAL A 37 32.811 -8.205 -15.172 1.00 0.00 H new ATOM 0 HG12 VAL A 37 32.561 -8.932 -16.778 1.00 0.00 H new ATOM 0 HG13 VAL A 37 31.732 -7.418 -16.348 1.00 0.00 H new ATOM 0 HG21 VAL A 37 31.019 -8.285 -13.474 1.00 0.00 H new ATOM 0 HG22 VAL A 37 29.865 -7.501 -14.580 1.00 0.00 H new ATOM 0 HG23 VAL A 37 29.465 -9.071 -13.842 1.00 0.00 H new ATOM 575 N TRP A 38 30.602 -10.235 -18.699 1.00 0.00 N ATOM 576 CA TRP A 38 31.081 -11.221 -19.661 1.00 0.00 C ATOM 577 C TRP A 38 32.327 -10.718 -20.382 1.00 0.00 C ATOM 578 O TRP A 38 32.421 -9.540 -20.730 1.00 0.00 O ATOM 579 CB TRP A 38 29.985 -11.546 -20.677 1.00 0.00 C ATOM 580 CG TRP A 38 28.977 -10.448 -20.836 1.00 0.00 C ATOM 581 CD1 TRP A 38 28.174 -9.927 -19.862 1.00 0.00 C ATOM 582 CD2 TRP A 38 28.665 -9.739 -22.039 1.00 0.00 C ATOM 583 NE1 TRP A 38 27.380 -8.936 -20.389 1.00 0.00 N ATOM 584 CE2 TRP A 38 27.663 -8.801 -21.722 1.00 0.00 C ATOM 585 CE3 TRP A 38 29.135 -9.804 -23.354 1.00 0.00 C ATOM 586 CZ2 TRP A 38 27.125 -7.938 -22.673 1.00 0.00 C ATOM 587 CZ3 TRP A 38 28.600 -8.947 -24.296 1.00 0.00 C ATOM 588 CH2 TRP A 38 27.604 -8.023 -23.952 1.00 0.00 C ATOM 0 H TRP A 38 30.466 -9.300 -19.085 1.00 0.00 H new ATOM 0 HA TRP A 38 31.342 -12.128 -19.115 1.00 0.00 H new ATOM 0 HB2 TRP A 38 30.445 -11.750 -21.644 1.00 0.00 H new ATOM 0 HB3 TRP A 38 29.473 -12.458 -20.369 1.00 0.00 H new ATOM 0 HD1 TRP A 38 28.164 -10.246 -18.830 1.00 0.00 H new ATOM 0 HE1 TRP A 38 26.692 -8.390 -19.871 1.00 0.00 H new ATOM 0 HE3 TRP A 38 29.903 -10.512 -23.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 26.356 -7.226 -22.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 28.955 -8.990 -25.315 1.00 0.00 H new ATOM 0 HH2 TRP A 38 27.207 -7.365 -24.711 1.00 0.00 H new ATOM 599 N LEU A 39 33.280 -11.616 -20.604 1.00 0.00 N ATOM 600 CA LEU A 39 34.521 -11.262 -21.285 1.00 0.00 C ATOM 601 C LEU A 39 34.579 -11.892 -22.673 1.00 0.00 C ATOM 602 O LEU A 39 33.980 -12.939 -22.916 1.00 0.00 O ATOM 603 CB LEU A 39 35.726 -11.712 -20.457 1.00 0.00 C ATOM 604 CG LEU A 39 37.083 -11.652 -21.160 1.00 0.00 C ATOM 605 CD1 LEU A 39 37.479 -10.209 -21.434 1.00 0.00 C ATOM 606 CD2 LEU A 39 38.147 -12.350 -20.326 1.00 0.00 C ATOM 0 H LEU A 39 33.218 -12.594 -20.323 1.00 0.00 H new ATOM 0 HA LEU A 39 34.549 -10.178 -21.397 1.00 0.00 H new ATOM 0 HB2 LEU A 39 35.776 -11.095 -19.560 1.00 0.00 H new ATOM 0 HB3 LEU A 39 35.554 -12.737 -20.129 1.00 0.00 H new ATOM 0 HG LEU A 39 37.000 -12.172 -22.115 1.00 0.00 H new ATOM 0 HD11 LEU A 39 38.447 -10.186 -21.934 1.00 0.00 H new ATOM 0 HD12 LEU A 39 36.729 -9.741 -22.072 1.00 0.00 H new ATOM 0 HD13 LEU A 39 37.545 -9.665 -20.492 1.00 0.00 H new ATOM 0 HD21 LEU A 39 39.106 -12.297 -20.842 1.00 0.00 H new ATOM 0 HD22 LEU A 39 38.229 -11.859 -19.356 1.00 0.00 H new ATOM 0 HD23 LEU A 39 37.869 -13.394 -20.182 1.00 0.00 H new ATOM 618 N ALA A 40 35.306 -11.247 -23.580 1.00 0.00 N ATOM 619 CA ALA A 40 35.446 -11.747 -24.942 1.00 0.00 C ATOM 620 C ALA A 40 36.791 -12.439 -25.137 1.00 0.00 C ATOM 621 O ALA A 40 36.921 -13.340 -25.966 1.00 0.00 O ATOM 622 CB ALA A 40 35.287 -10.610 -25.940 1.00 0.00 C ATOM 0 H ALA A 40 35.807 -10.378 -23.396 1.00 0.00 H new ATOM 0 HA ALA A 40 34.660 -12.482 -25.116 1.00 0.00 H new ATOM 0 HB1 ALA A 40 35.394 -10.998 -26.953 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.301 -10.161 -25.826 1.00 0.00 H new ATOM 0 HB3 ALA A 40 36.053 -9.856 -25.757 1.00 0.00 H new ATOM 628 N ASP A 41 37.787 -12.013 -24.369 1.00 0.00 N ATOM 629 CA ASP A 41 39.123 -12.593 -24.457 1.00 0.00 C ATOM 630 C ASP A 41 39.265 -13.777 -23.506 1.00 0.00 C ATOM 631 O ASP A 41 39.704 -13.621 -22.368 1.00 0.00 O ATOM 632 CB ASP A 41 40.183 -11.537 -24.139 1.00 0.00 C ATOM 633 CG ASP A 41 41.581 -11.991 -24.508 1.00 0.00 C ATOM 634 OD1 ASP A 41 41.939 -13.141 -24.177 1.00 0.00 O ATOM 635 OD2 ASP A 41 42.318 -11.197 -25.129 1.00 0.00 O ATOM 0 H ASP A 41 37.695 -11.268 -23.678 1.00 0.00 H new ATOM 0 HA ASP A 41 39.271 -12.949 -25.476 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.949 -10.618 -24.676 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.149 -11.302 -23.075 1.00 0.00 H new ATOM 640 N GLU A 42 38.890 -14.961 -23.983 1.00 0.00 N ATOM 641 CA GLU A 42 38.974 -16.170 -23.173 1.00 0.00 C ATOM 642 C GLU A 42 40.351 -16.299 -22.529 1.00 0.00 C ATOM 643 O GLU A 42 40.468 -16.627 -21.348 1.00 0.00 O ATOM 644 CB GLU A 42 38.682 -17.405 -24.029 1.00 0.00 C ATOM 645 CG GLU A 42 37.322 -17.368 -24.706 1.00 0.00 C ATOM 646 CD GLU A 42 37.299 -18.142 -26.010 1.00 0.00 C ATOM 647 OE1 GLU A 42 37.413 -19.384 -25.966 1.00 0.00 O ATOM 648 OE2 GLU A 42 37.166 -17.503 -27.076 1.00 0.00 O ATOM 0 H GLU A 42 38.526 -15.108 -24.924 1.00 0.00 H new ATOM 0 HA GLU A 42 38.227 -16.099 -22.382 1.00 0.00 H new ATOM 0 HB2 GLU A 42 39.456 -17.500 -24.791 1.00 0.00 H new ATOM 0 HB3 GLU A 42 38.742 -18.294 -23.402 1.00 0.00 H new ATOM 0 HG2 GLU A 42 36.572 -17.780 -24.030 1.00 0.00 H new ATOM 0 HG3 GLU A 42 37.044 -16.332 -24.898 1.00 0.00 H new ATOM 655 N SER A 43 41.392 -16.039 -23.314 1.00 0.00 N ATOM 656 CA SER A 43 42.762 -16.129 -22.822 1.00 0.00 C ATOM 657 C SER A 43 42.953 -15.261 -21.582 1.00 0.00 C ATOM 658 O SER A 43 43.724 -15.602 -20.686 1.00 0.00 O ATOM 659 CB SER A 43 43.747 -15.704 -23.913 1.00 0.00 C ATOM 660 OG SER A 43 43.280 -16.081 -25.196 1.00 0.00 O ATOM 0 H SER A 43 41.313 -15.764 -24.293 1.00 0.00 H new ATOM 0 HA SER A 43 42.957 -17.167 -22.551 1.00 0.00 H new ATOM 0 HB2 SER A 43 43.890 -14.624 -23.877 1.00 0.00 H new ATOM 0 HB3 SER A 43 44.719 -16.161 -23.728 1.00 0.00 H new ATOM 0 HG SER A 43 43.926 -15.797 -25.876 1.00 0.00 H new ATOM 666 N GLN A 44 42.244 -14.137 -21.540 1.00 0.00 N ATOM 667 CA GLN A 44 42.336 -13.219 -20.410 1.00 0.00 C ATOM 668 C GLN A 44 41.337 -13.595 -19.321 1.00 0.00 C ATOM 669 O GLN A 44 41.421 -13.109 -18.194 1.00 0.00 O ATOM 670 CB GLN A 44 42.088 -11.782 -20.873 1.00 0.00 C ATOM 671 CG GLN A 44 43.249 -10.843 -20.589 1.00 0.00 C ATOM 672 CD GLN A 44 44.564 -11.358 -21.139 1.00 0.00 C ATOM 673 OE1 GLN A 44 44.609 -11.955 -22.215 1.00 0.00 O ATOM 674 NE2 GLN A 44 45.644 -11.129 -20.402 1.00 0.00 N ATOM 0 H GLN A 44 41.601 -13.840 -22.274 1.00 0.00 H new ATOM 0 HA GLN A 44 43.341 -13.291 -19.995 1.00 0.00 H new ATOM 0 HB2 GLN A 44 41.887 -11.784 -21.944 1.00 0.00 H new ATOM 0 HB3 GLN A 44 41.194 -11.400 -20.381 1.00 0.00 H new ATOM 0 HG2 GLN A 44 43.036 -9.866 -21.023 1.00 0.00 H new ATOM 0 HG3 GLN A 44 43.341 -10.700 -19.512 1.00 0.00 H new ATOM 0 HE21 GLN A 44 45.561 -10.630 -19.516 1.00 0.00 H new ATOM 0 HE22 GLN A 44 46.557 -11.452 -20.721 1.00 0.00 H new ATOM 683 N ALA A 45 40.392 -14.464 -19.666 1.00 0.00 N ATOM 684 CA ALA A 45 39.378 -14.906 -18.716 1.00 0.00 C ATOM 685 C ALA A 45 40.015 -15.386 -17.417 1.00 0.00 C ATOM 686 O ALA A 45 39.470 -15.175 -16.334 1.00 0.00 O ATOM 687 CB ALA A 45 38.527 -16.009 -19.329 1.00 0.00 C ATOM 0 H ALA A 45 40.308 -14.875 -20.595 1.00 0.00 H new ATOM 0 HA ALA A 45 38.738 -14.055 -18.483 1.00 0.00 H new ATOM 0 HB1 ALA A 45 37.774 -16.330 -18.609 1.00 0.00 H new ATOM 0 HB2 ALA A 45 38.035 -15.633 -20.226 1.00 0.00 H new ATOM 0 HB3 ALA A 45 39.162 -16.855 -19.591 1.00 0.00 H new ATOM 693 N GLU A 46 41.170 -16.033 -17.533 1.00 0.00 N ATOM 694 CA GLU A 46 41.880 -16.544 -16.366 1.00 0.00 C ATOM 695 C GLU A 46 42.354 -15.401 -15.474 1.00 0.00 C ATOM 696 O GLU A 46 42.141 -15.416 -14.261 1.00 0.00 O ATOM 697 CB GLU A 46 43.074 -17.396 -16.801 1.00 0.00 C ATOM 698 CG GLU A 46 42.689 -18.598 -17.646 1.00 0.00 C ATOM 699 CD GLU A 46 43.831 -19.580 -17.819 1.00 0.00 C ATOM 700 OE1 GLU A 46 43.970 -20.486 -16.971 1.00 0.00 O ATOM 701 OE2 GLU A 46 44.587 -19.442 -18.804 1.00 0.00 O ATOM 0 H GLU A 46 41.634 -16.216 -18.423 1.00 0.00 H new ATOM 0 HA GLU A 46 41.189 -17.164 -15.795 1.00 0.00 H new ATOM 0 HB2 GLU A 46 43.768 -16.773 -17.366 1.00 0.00 H new ATOM 0 HB3 GLU A 46 43.605 -17.741 -15.914 1.00 0.00 H new ATOM 0 HG2 GLU A 46 41.844 -19.107 -17.183 1.00 0.00 H new ATOM 0 HG3 GLU A 46 42.357 -18.257 -18.626 1.00 0.00 H new ATOM 708 N ARG A 47 42.999 -14.411 -16.083 1.00 0.00 N ATOM 709 CA ARG A 47 43.506 -13.261 -15.345 1.00 0.00 C ATOM 710 C ARG A 47 42.375 -12.545 -14.611 1.00 0.00 C ATOM 711 O ARG A 47 42.427 -12.365 -13.394 1.00 0.00 O ATOM 712 CB ARG A 47 44.208 -12.288 -16.293 1.00 0.00 C ATOM 713 CG ARG A 47 44.760 -11.053 -15.600 1.00 0.00 C ATOM 714 CD ARG A 47 43.839 -9.855 -15.781 1.00 0.00 C ATOM 715 NE ARG A 47 44.210 -8.744 -14.909 1.00 0.00 N ATOM 716 CZ ARG A 47 45.286 -7.989 -15.098 1.00 0.00 C ATOM 717 NH1 ARG A 47 46.094 -8.225 -16.123 1.00 0.00 N ATOM 718 NH2 ARG A 47 45.556 -6.995 -14.261 1.00 0.00 N ATOM 0 H ARG A 47 43.183 -14.383 -17.086 1.00 0.00 H new ATOM 0 HA ARG A 47 44.224 -13.622 -14.609 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.024 -12.808 -16.795 1.00 0.00 H new ATOM 0 HB3 ARG A 47 43.505 -11.977 -17.066 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.888 -11.257 -14.537 1.00 0.00 H new ATOM 0 HG3 ARG A 47 45.746 -10.819 -16.001 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.871 -9.527 -16.820 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.811 -10.153 -15.572 1.00 0.00 H new ATOM 0 HE ARG A 47 43.610 -8.536 -14.111 1.00 0.00 H new ATOM 0 HH11 ARG A 47 45.890 -8.988 -16.768 1.00 0.00 H new ATOM 0 HH12 ARG A 47 46.920 -7.644 -16.266 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.937 -6.810 -13.472 1.00 0.00 H new ATOM 0 HH22 ARG A 47 46.383 -6.416 -14.407 1.00 0.00 H new ATOM 732 N VAL A 48 41.355 -12.138 -15.359 1.00 0.00 N ATOM 733 CA VAL A 48 40.212 -11.443 -14.781 1.00 0.00 C ATOM 734 C VAL A 48 39.590 -12.253 -13.649 1.00 0.00 C ATOM 735 O VAL A 48 39.182 -11.700 -12.627 1.00 0.00 O ATOM 736 CB VAL A 48 39.133 -11.155 -15.843 1.00 0.00 C ATOM 737 CG1 VAL A 48 39.650 -10.162 -16.873 1.00 0.00 C ATOM 738 CG2 VAL A 48 38.686 -12.446 -16.511 1.00 0.00 C ATOM 0 H VAL A 48 41.297 -12.278 -16.368 1.00 0.00 H new ATOM 0 HA VAL A 48 40.585 -10.498 -14.386 1.00 0.00 H new ATOM 0 HB VAL A 48 38.269 -10.711 -15.348 1.00 0.00 H new ATOM 0 HG11 VAL A 48 38.875 -9.971 -17.615 1.00 0.00 H new ATOM 0 HG12 VAL A 48 39.916 -9.229 -16.377 1.00 0.00 H new ATOM 0 HG13 VAL A 48 40.530 -10.574 -17.366 1.00 0.00 H new ATOM 0 HG21 VAL A 48 37.924 -12.224 -17.258 1.00 0.00 H new ATOM 0 HG22 VAL A 48 39.540 -12.921 -16.994 1.00 0.00 H new ATOM 0 HG23 VAL A 48 38.273 -13.120 -15.760 1.00 0.00 H new ATOM 748 N ARG A 49 39.523 -13.567 -13.837 1.00 0.00 N ATOM 749 CA ARG A 49 38.951 -14.455 -12.832 1.00 0.00 C ATOM 750 C ARG A 49 39.700 -14.331 -11.508 1.00 0.00 C ATOM 751 O ARG A 49 39.095 -14.108 -10.460 1.00 0.00 O ATOM 752 CB ARG A 49 38.991 -15.904 -13.319 1.00 0.00 C ATOM 753 CG ARG A 49 37.714 -16.348 -14.013 1.00 0.00 C ATOM 754 CD ARG A 49 37.992 -17.410 -15.066 1.00 0.00 C ATOM 755 NE ARG A 49 37.121 -18.572 -14.915 1.00 0.00 N ATOM 756 CZ ARG A 49 37.254 -19.687 -15.625 1.00 0.00 C ATOM 757 NH1 ARG A 49 38.217 -19.790 -16.530 1.00 0.00 N ATOM 758 NH2 ARG A 49 36.421 -20.702 -15.431 1.00 0.00 N ATOM 0 H ARG A 49 39.858 -14.040 -14.676 1.00 0.00 H new ATOM 0 HA ARG A 49 37.914 -14.161 -12.672 1.00 0.00 H new ATOM 0 HB2 ARG A 49 39.829 -16.025 -14.006 1.00 0.00 H new ATOM 0 HB3 ARG A 49 39.179 -16.559 -12.469 1.00 0.00 H new ATOM 0 HG2 ARG A 49 37.015 -16.741 -13.275 1.00 0.00 H new ATOM 0 HG3 ARG A 49 37.235 -15.488 -14.480 1.00 0.00 H new ATOM 0 HD2 ARG A 49 37.855 -16.981 -16.059 1.00 0.00 H new ATOM 0 HD3 ARG A 49 39.033 -17.726 -14.996 1.00 0.00 H new ATOM 0 HE ARG A 49 36.369 -18.525 -14.227 1.00 0.00 H new ATOM 0 HH11 ARG A 49 38.859 -19.012 -16.683 1.00 0.00 H new ATOM 0 HH12 ARG A 49 38.317 -20.647 -17.073 1.00 0.00 H new ATOM 0 HH21 ARG A 49 35.678 -20.626 -14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.524 -21.558 -15.977 1.00 0.00 H new ATOM 772 N ALA A 50 41.020 -14.477 -11.565 1.00 0.00 N ATOM 773 CA ALA A 50 41.851 -14.381 -10.371 1.00 0.00 C ATOM 774 C ALA A 50 41.692 -13.021 -9.700 1.00 0.00 C ATOM 775 O ALA A 50 41.311 -12.936 -8.533 1.00 0.00 O ATOM 776 CB ALA A 50 43.310 -14.630 -10.723 1.00 0.00 C ATOM 0 H ALA A 50 41.536 -14.662 -12.425 1.00 0.00 H new ATOM 0 HA ALA A 50 41.522 -15.145 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 50 43.919 -14.555 -9.822 1.00 0.00 H new ATOM 0 HB2 ALA A 50 43.416 -15.627 -11.151 1.00 0.00 H new ATOM 0 HB3 ALA A 50 43.641 -13.887 -11.448 1.00 0.00 H new ATOM 782 N GLU A 51 41.986 -11.960 -10.445 1.00 0.00 N ATOM 783 CA GLU A 51 41.877 -10.604 -9.920 1.00 0.00 C ATOM 784 C GLU A 51 40.483 -10.352 -9.352 1.00 0.00 C ATOM 785 O GLU A 51 40.336 -9.834 -8.244 1.00 0.00 O ATOM 786 CB GLU A 51 42.186 -9.582 -11.016 1.00 0.00 C ATOM 787 CG GLU A 51 43.539 -9.788 -11.676 1.00 0.00 C ATOM 788 CD GLU A 51 44.610 -10.214 -10.691 1.00 0.00 C ATOM 789 OE1 GLU A 51 45.171 -9.332 -10.007 1.00 0.00 O ATOM 790 OE2 GLU A 51 44.887 -11.428 -10.603 1.00 0.00 O ATOM 0 H GLU A 51 42.301 -12.013 -11.414 1.00 0.00 H new ATOM 0 HA GLU A 51 42.604 -10.493 -9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.408 -9.632 -11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.149 -8.580 -10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.447 -10.544 -12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.846 -8.862 -12.163 1.00 0.00 H new ATOM 797 N LEU A 52 39.463 -10.720 -10.119 1.00 0.00 N ATOM 798 CA LEU A 52 38.080 -10.533 -9.694 1.00 0.00 C ATOM 799 C LEU A 52 37.854 -11.118 -8.303 1.00 0.00 C ATOM 800 O LEU A 52 37.443 -10.413 -7.382 1.00 0.00 O ATOM 801 CB LEU A 52 37.125 -11.187 -10.695 1.00 0.00 C ATOM 802 CG LEU A 52 35.633 -11.011 -10.412 1.00 0.00 C ATOM 803 CD1 LEU A 52 34.863 -10.822 -11.710 1.00 0.00 C ATOM 804 CD2 LEU A 52 35.093 -12.204 -9.638 1.00 0.00 C ATOM 0 H LEU A 52 39.567 -11.150 -11.038 1.00 0.00 H new ATOM 0 HA LEU A 52 37.880 -9.462 -9.655 1.00 0.00 H new ATOM 0 HB2 LEU A 52 37.337 -10.784 -11.685 1.00 0.00 H new ATOM 0 HB3 LEU A 52 37.344 -12.254 -10.732 1.00 0.00 H new ATOM 0 HG LEU A 52 35.501 -10.118 -9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 52 33.803 -10.698 -11.489 1.00 0.00 H new ATOM 0 HD12 LEU A 52 35.232 -9.936 -12.226 1.00 0.00 H new ATOM 0 HD13 LEU A 52 35.002 -11.696 -12.346 1.00 0.00 H new ATOM 0 HD21 LEU A 52 34.030 -12.062 -9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 52 35.237 -13.113 -10.223 1.00 0.00 H new ATOM 0 HD23 LEU A 52 35.625 -12.294 -8.691 1.00 0.00 H new ATOM 816 N ALA A 53 38.129 -12.410 -8.158 1.00 0.00 N ATOM 817 CA ALA A 53 37.960 -13.088 -6.879 1.00 0.00 C ATOM 818 C ALA A 53 38.709 -12.360 -5.768 1.00 0.00 C ATOM 819 O ALA A 53 38.210 -12.232 -4.650 1.00 0.00 O ATOM 820 CB ALA A 53 38.433 -14.531 -6.980 1.00 0.00 C ATOM 0 H ALA A 53 38.470 -13.008 -8.911 1.00 0.00 H new ATOM 0 HA ALA A 53 36.899 -13.082 -6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.301 -15.025 -6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 53 37.850 -15.053 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.487 -14.550 -7.256 1.00 0.00 H new ATOM 826 N ARG A 54 39.910 -11.886 -6.084 1.00 0.00 N ATOM 827 CA ARG A 54 40.729 -11.172 -5.111 1.00 0.00 C ATOM 828 C ARG A 54 40.145 -9.794 -4.816 1.00 0.00 C ATOM 829 O ARG A 54 40.421 -9.201 -3.772 1.00 0.00 O ATOM 830 CB ARG A 54 42.163 -11.030 -5.626 1.00 0.00 C ATOM 831 CG ARG A 54 42.953 -12.328 -5.592 1.00 0.00 C ATOM 832 CD ARG A 54 44.292 -12.184 -6.299 1.00 0.00 C ATOM 833 NE ARG A 54 45.021 -13.448 -6.353 1.00 0.00 N ATOM 834 CZ ARG A 54 46.125 -13.630 -7.069 1.00 0.00 C ATOM 835 NH1 ARG A 54 46.625 -12.633 -7.787 1.00 0.00 N ATOM 836 NH2 ARG A 54 46.732 -14.810 -7.068 1.00 0.00 N ATOM 0 H ARG A 54 40.337 -11.983 -7.005 1.00 0.00 H new ATOM 0 HA ARG A 54 40.737 -11.750 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 54 42.137 -10.657 -6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 54 42.683 -10.282 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 54 43.117 -12.628 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 54 42.374 -13.120 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 54 44.129 -11.816 -7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 54 44.897 -11.439 -5.782 1.00 0.00 H new ATOM 0 HE ARG A 54 44.663 -14.234 -5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 54 46.162 -11.724 -7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 54 47.473 -12.775 -8.336 1.00 0.00 H new ATOM 0 HH21 ARG A 54 46.351 -15.579 -6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 54 47.580 -14.948 -7.618 1.00 0.00 H new ATOM 850 N PHE A 55 39.337 -9.288 -5.742 1.00 0.00 N ATOM 851 CA PHE A 55 38.715 -7.979 -5.581 1.00 0.00 C ATOM 852 C PHE A 55 37.406 -8.090 -4.804 1.00 0.00 C ATOM 853 O PHE A 55 37.096 -7.245 -3.964 1.00 0.00 O ATOM 854 CB PHE A 55 38.456 -7.343 -6.949 1.00 0.00 C ATOM 855 CG PHE A 55 38.408 -5.842 -6.912 1.00 0.00 C ATOM 856 CD1 PHE A 55 39.441 -5.116 -6.341 1.00 0.00 C ATOM 857 CD2 PHE A 55 37.329 -5.157 -7.448 1.00 0.00 C ATOM 858 CE1 PHE A 55 39.400 -3.735 -6.305 1.00 0.00 C ATOM 859 CE2 PHE A 55 37.283 -3.776 -7.416 1.00 0.00 C ATOM 860 CZ PHE A 55 38.319 -3.064 -6.843 1.00 0.00 C ATOM 0 H PHE A 55 39.098 -9.765 -6.612 1.00 0.00 H new ATOM 0 HA PHE A 55 39.400 -7.346 -5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 55 39.238 -7.657 -7.641 1.00 0.00 H new ATOM 0 HB3 PHE A 55 37.512 -7.719 -7.343 1.00 0.00 H new ATOM 0 HD1 PHE A 55 40.288 -5.636 -5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 55 36.515 -5.708 -7.896 1.00 0.00 H new ATOM 0 HE1 PHE A 55 40.212 -3.181 -5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 55 36.437 -3.254 -7.839 1.00 0.00 H new ATOM 0 HZ PHE A 55 38.284 -1.985 -6.816 1.00 0.00 H new ATOM 989 N MET B 1 32.848 -15.486 -26.290 1.00 0.00 N ATOM 990 CA MET B 1 32.478 -14.726 -25.102 1.00 0.00 C ATOM 991 C MET B 1 32.243 -15.653 -23.914 1.00 0.00 C ATOM 992 O MET B 1 31.407 -16.556 -23.975 1.00 0.00 O ATOM 993 CB MET B 1 31.222 -13.895 -25.372 1.00 0.00 C ATOM 994 CG MET B 1 31.385 -12.900 -26.510 1.00 0.00 C ATOM 995 SD MET B 1 31.067 -11.201 -25.997 1.00 0.00 S ATOM 996 CE MET B 1 32.273 -11.012 -24.686 1.00 0.00 C ATOM 0 H1 MET B 1 33.425 -14.890 -26.917 1.00 0.00 H new ATOM 0 H2 MET B 1 33.395 -16.325 -26.009 1.00 0.00 H new ATOM 0 H3 MET B 1 31.988 -15.786 -26.792 1.00 0.00 H new ATOM 0 HA MET B 1 33.303 -14.056 -24.859 1.00 0.00 H new ATOM 0 HB2 MET B 1 30.395 -14.566 -25.603 1.00 0.00 H new ATOM 0 HB3 MET B 1 30.951 -13.355 -24.464 1.00 0.00 H new ATOM 0 HG2 MET B 1 32.397 -12.972 -26.908 1.00 0.00 H new ATOM 0 HG3 MET B 1 30.704 -13.165 -27.319 1.00 0.00 H new ATOM 0 HE1 MET B 1 32.627 -9.981 -24.663 1.00 0.00 H new ATOM 0 HE2 MET B 1 31.812 -11.258 -23.729 1.00 0.00 H new ATOM 0 HE3 MET B 1 33.114 -11.681 -24.866 1.00 0.00 H new ATOM 1006 N LEU B 2 32.984 -15.426 -22.835 1.00 0.00 N ATOM 1007 CA LEU B 2 32.856 -16.242 -21.633 1.00 0.00 C ATOM 1008 C LEU B 2 32.438 -15.390 -20.439 1.00 0.00 C ATOM 1009 O LEU B 2 33.126 -14.437 -20.073 1.00 0.00 O ATOM 1010 CB LEU B 2 34.177 -16.951 -21.331 1.00 0.00 C ATOM 1011 CG LEU B 2 34.066 -18.379 -20.795 1.00 0.00 C ATOM 1012 CD1 LEU B 2 35.441 -18.928 -20.447 1.00 0.00 C ATOM 1013 CD2 LEU B 2 33.150 -18.422 -19.580 1.00 0.00 C ATOM 0 H LEU B 2 33.680 -14.683 -22.768 1.00 0.00 H new ATOM 0 HA LEU B 2 32.083 -16.989 -21.811 1.00 0.00 H new ATOM 0 HB2 LEU B 2 34.772 -16.972 -22.244 1.00 0.00 H new ATOM 0 HB3 LEU B 2 34.729 -16.354 -20.605 1.00 0.00 H new ATOM 0 HG LEU B 2 33.634 -19.006 -21.575 1.00 0.00 H new ATOM 0 HD11 LEU B 2 35.341 -19.945 -20.067 1.00 0.00 H new ATOM 0 HD12 LEU B 2 36.067 -18.933 -21.339 1.00 0.00 H new ATOM 0 HD13 LEU B 2 35.901 -18.300 -19.685 1.00 0.00 H new ATOM 0 HD21 LEU B 2 33.082 -19.446 -19.211 1.00 0.00 H new ATOM 0 HD22 LEU B 2 33.554 -17.780 -18.797 1.00 0.00 H new ATOM 0 HD23 LEU B 2 32.157 -18.071 -19.860 1.00 0.00 H new ATOM 1025 N MET B 3 31.308 -15.741 -19.834 1.00 0.00 N ATOM 1026 CA MET B 3 30.801 -15.010 -18.679 1.00 0.00 C ATOM 1027 C MET B 3 31.824 -15.004 -17.547 1.00 0.00 C ATOM 1028 O MET B 3 32.238 -16.060 -17.068 1.00 0.00 O ATOM 1029 CB MET B 3 29.489 -15.629 -18.193 1.00 0.00 C ATOM 1030 CG MET B 3 28.462 -14.602 -17.744 1.00 0.00 C ATOM 1031 SD MET B 3 27.203 -15.306 -16.662 1.00 0.00 S ATOM 1032 CE MET B 3 27.245 -14.147 -15.296 1.00 0.00 C ATOM 0 H MET B 3 30.726 -16.527 -20.124 1.00 0.00 H new ATOM 0 HA MET B 3 30.617 -13.980 -18.984 1.00 0.00 H new ATOM 0 HB2 MET B 3 29.062 -16.231 -18.995 1.00 0.00 H new ATOM 0 HB3 MET B 3 29.701 -16.305 -17.365 1.00 0.00 H new ATOM 0 HG2 MET B 3 28.970 -13.790 -17.224 1.00 0.00 H new ATOM 0 HG3 MET B 3 27.981 -14.168 -18.620 1.00 0.00 H new ATOM 0 HE1 MET B 3 27.259 -14.695 -14.354 1.00 0.00 H new ATOM 0 HE2 MET B 3 28.140 -13.530 -15.370 1.00 0.00 H new ATOM 0 HE3 MET B 3 26.361 -13.510 -15.332 1.00 0.00 H new ATOM 1042 N ILE B 4 32.226 -13.810 -17.126 1.00 0.00 N ATOM 1043 CA ILE B 4 33.200 -13.669 -16.051 1.00 0.00 C ATOM 1044 C ILE B 4 32.541 -13.838 -14.686 1.00 0.00 C ATOM 1045 O ILE B 4 33.039 -14.570 -13.829 1.00 0.00 O ATOM 1046 CB ILE B 4 33.901 -12.298 -16.103 1.00 0.00 C ATOM 1047 CG1 ILE B 4 34.754 -12.185 -17.368 1.00 0.00 C ATOM 1048 CG2 ILE B 4 34.756 -12.093 -14.861 1.00 0.00 C ATOM 1049 CD1 ILE B 4 35.729 -13.328 -17.543 1.00 0.00 C ATOM 0 H ILE B 4 31.893 -12.927 -17.512 1.00 0.00 H new ATOM 0 HA ILE B 4 33.943 -14.454 -16.193 1.00 0.00 H new ATOM 0 HB ILE B 4 33.140 -11.518 -16.129 1.00 0.00 H new ATOM 0 HG12 ILE B 4 34.097 -12.142 -18.237 1.00 0.00 H new ATOM 0 HG13 ILE B 4 35.308 -11.247 -17.340 1.00 0.00 H new ATOM 0 HG21 ILE B 4 35.245 -11.120 -14.912 1.00 0.00 H new ATOM 0 HG22 ILE B 4 34.125 -12.136 -13.974 1.00 0.00 H new ATOM 0 HG23 ILE B 4 35.512 -12.876 -14.806 1.00 0.00 H new ATOM 0 HD11 ILE B 4 36.300 -13.182 -18.460 1.00 0.00 H new ATOM 0 HD12 ILE B 4 36.410 -13.359 -16.693 1.00 0.00 H new ATOM 0 HD13 ILE B 4 35.181 -14.268 -17.603 1.00 0.00 H new ATOM 1061 N THR B 5 31.415 -13.159 -14.490 1.00 0.00 N ATOM 1062 CA THR B 5 30.686 -13.234 -13.230 1.00 0.00 C ATOM 1063 C THR B 5 29.386 -12.442 -13.299 1.00 0.00 C ATOM 1064 O THR B 5 29.094 -11.796 -14.306 1.00 0.00 O ATOM 1065 CB THR B 5 31.534 -12.706 -12.058 1.00 0.00 C ATOM 1066 OG1 THR B 5 30.903 -13.027 -10.813 1.00 0.00 O ATOM 1067 CG2 THR B 5 31.724 -11.200 -12.163 1.00 0.00 C ATOM 0 H THR B 5 30.988 -12.551 -15.188 1.00 0.00 H new ATOM 0 HA THR B 5 30.458 -14.286 -13.059 1.00 0.00 H new ATOM 0 HB THR B 5 32.513 -13.184 -12.102 1.00 0.00 H new ATOM 0 HG1 THR B 5 31.449 -12.689 -10.073 1.00 0.00 H new ATOM 0 HG21 THR B 5 32.326 -10.850 -11.324 1.00 0.00 H new ATOM 0 HG22 THR B 5 32.231 -10.962 -13.098 1.00 0.00 H new ATOM 0 HG23 THR B 5 30.751 -10.708 -12.142 1.00 0.00 H new ATOM 1075 N SER B 6 28.608 -12.494 -12.223 1.00 0.00 N ATOM 1076 CA SER B 6 27.336 -11.783 -12.163 1.00 0.00 C ATOM 1077 C SER B 6 27.261 -10.909 -10.914 1.00 0.00 C ATOM 1078 O SER B 6 27.538 -11.366 -9.805 1.00 0.00 O ATOM 1079 CB SER B 6 26.172 -12.776 -12.175 1.00 0.00 C ATOM 1080 OG SER B 6 26.418 -13.862 -11.298 1.00 0.00 O ATOM 0 H SER B 6 28.836 -13.021 -11.380 1.00 0.00 H new ATOM 0 HA SER B 6 27.265 -11.140 -13.040 1.00 0.00 H new ATOM 0 HB2 SER B 6 25.254 -12.268 -11.881 1.00 0.00 H new ATOM 0 HB3 SER B 6 26.019 -13.150 -13.187 1.00 0.00 H new ATOM 0 HG SER B 6 26.876 -13.537 -10.495 1.00 0.00 H new ATOM 1086 N PHE B 7 26.885 -9.649 -11.104 1.00 0.00 N ATOM 1087 CA PHE B 7 26.774 -8.709 -9.995 1.00 0.00 C ATOM 1088 C PHE B 7 25.339 -8.209 -9.847 1.00 0.00 C ATOM 1089 O PHE B 7 24.489 -8.471 -10.697 1.00 0.00 O ATOM 1090 CB PHE B 7 27.719 -7.524 -10.206 1.00 0.00 C ATOM 1091 CG PHE B 7 29.172 -7.904 -10.173 1.00 0.00 C ATOM 1092 CD1 PHE B 7 29.657 -8.756 -9.194 1.00 0.00 C ATOM 1093 CD2 PHE B 7 30.053 -7.408 -11.121 1.00 0.00 C ATOM 1094 CE1 PHE B 7 30.993 -9.106 -9.161 1.00 0.00 C ATOM 1095 CE2 PHE B 7 31.391 -7.755 -11.093 1.00 0.00 C ATOM 1096 CZ PHE B 7 31.861 -8.606 -10.112 1.00 0.00 C ATOM 0 H PHE B 7 26.652 -9.255 -12.016 1.00 0.00 H new ATOM 0 HA PHE B 7 27.055 -9.231 -9.080 1.00 0.00 H new ATOM 0 HB2 PHE B 7 27.495 -7.057 -11.165 1.00 0.00 H new ATOM 0 HB3 PHE B 7 27.529 -6.776 -9.436 1.00 0.00 H new ATOM 0 HD1 PHE B 7 28.983 -9.151 -8.448 1.00 0.00 H new ATOM 0 HD2 PHE B 7 29.690 -6.743 -11.891 1.00 0.00 H new ATOM 0 HE1 PHE B 7 31.359 -9.770 -8.392 1.00 0.00 H new ATOM 0 HE2 PHE B 7 32.068 -7.361 -11.837 1.00 0.00 H new ATOM 0 HZ PHE B 7 32.905 -8.880 -10.089 1.00 0.00 H new ATOM 1106 N ALA B 8 25.079 -7.488 -8.761 1.00 0.00 N ATOM 1107 CA ALA B 8 23.750 -6.951 -8.502 1.00 0.00 C ATOM 1108 C ALA B 8 23.817 -5.471 -8.141 1.00 0.00 C ATOM 1109 O ALA B 8 23.085 -5.001 -7.271 1.00 0.00 O ATOM 1110 CB ALA B 8 23.070 -7.737 -7.390 1.00 0.00 C ATOM 0 H ALA B 8 25.772 -7.263 -8.047 1.00 0.00 H new ATOM 0 HA ALA B 8 23.161 -7.050 -9.414 1.00 0.00 H new ATOM 0 HB1 ALA B 8 22.078 -7.325 -7.207 1.00 0.00 H new ATOM 0 HB2 ALA B 8 22.980 -8.782 -7.686 1.00 0.00 H new ATOM 0 HB3 ALA B 8 23.665 -7.668 -6.479 1.00 0.00 H new ATOM 1116 N ASN B 9 24.701 -4.742 -8.814 1.00 0.00 N ATOM 1117 CA ASN B 9 24.864 -3.314 -8.563 1.00 0.00 C ATOM 1118 C ASN B 9 25.699 -2.661 -9.660 1.00 0.00 C ATOM 1119 O ASN B 9 26.652 -3.242 -10.179 1.00 0.00 O ATOM 1120 CB ASN B 9 25.524 -3.088 -7.201 1.00 0.00 C ATOM 1121 CG ASN B 9 24.619 -2.346 -6.236 1.00 0.00 C ATOM 1122 OD1 ASN B 9 23.652 -2.906 -5.719 1.00 0.00 O ATOM 1123 ND2 ASN B 9 24.929 -1.078 -5.990 1.00 0.00 N ATOM 0 H ASN B 9 25.315 -5.116 -9.537 1.00 0.00 H new ATOM 0 HA ASN B 9 23.876 -2.855 -8.562 1.00 0.00 H new ATOM 0 HB2 ASN B 9 25.799 -4.050 -6.770 1.00 0.00 H new ATOM 0 HB3 ASN B 9 26.447 -2.524 -7.337 1.00 0.00 H new ATOM 0 HD21 ASN B 9 24.356 -0.528 -5.350 1.00 0.00 H new ATOM 0 HD22 ASN B 9 25.740 -0.655 -6.441 1.00 0.00 H new ATOM 1130 N PRO B 10 25.334 -1.422 -10.022 1.00 0.00 N ATOM 1131 CA PRO B 10 26.037 -0.661 -11.059 1.00 0.00 C ATOM 1132 C PRO B 10 27.430 -0.228 -10.618 1.00 0.00 C ATOM 1133 O PRO B 10 28.407 -0.409 -11.345 1.00 0.00 O ATOM 1134 CB PRO B 10 25.139 0.560 -11.273 1.00 0.00 C ATOM 1135 CG PRO B 10 24.407 0.722 -9.986 1.00 0.00 C ATOM 1136 CD PRO B 10 24.209 -0.667 -9.445 1.00 0.00 C ATOM 0 HA PRO B 10 26.197 -1.253 -11.960 1.00 0.00 H new ATOM 0 HB2 PRO B 10 25.727 1.447 -11.509 1.00 0.00 H new ATOM 0 HB3 PRO B 10 24.450 0.404 -12.103 1.00 0.00 H new ATOM 0 HG2 PRO B 10 24.976 1.335 -9.288 1.00 0.00 H new ATOM 0 HG3 PRO B 10 23.450 1.220 -10.141 1.00 0.00 H new ATOM 0 HD2 PRO B 10 24.233 -0.681 -8.355 1.00 0.00 H new ATOM 0 HD3 PRO B 10 23.248 -1.083 -9.748 1.00 0.00 H new ATOM 1144 N ARG B 11 27.516 0.344 -9.421 1.00 0.00 N ATOM 1145 CA ARG B 11 28.790 0.804 -8.883 1.00 0.00 C ATOM 1146 C ARG B 11 29.842 -0.299 -8.960 1.00 0.00 C ATOM 1147 O ARG B 11 30.971 -0.066 -9.392 1.00 0.00 O ATOM 1148 CB ARG B 11 28.621 1.261 -7.433 1.00 0.00 C ATOM 1149 CG ARG B 11 29.937 1.456 -6.698 1.00 0.00 C ATOM 1150 CD ARG B 11 29.877 2.647 -5.754 1.00 0.00 C ATOM 1151 NE ARG B 11 29.796 2.234 -4.356 1.00 0.00 N ATOM 1152 CZ ARG B 11 28.659 1.910 -3.750 1.00 0.00 C ATOM 1153 NH1 ARG B 11 27.514 1.951 -4.416 1.00 0.00 N ATOM 1154 NH2 ARG B 11 28.667 1.544 -2.474 1.00 0.00 N ATOM 0 H ARG B 11 26.718 0.500 -8.805 1.00 0.00 H new ATOM 0 HA ARG B 11 29.127 1.648 -9.486 1.00 0.00 H new ATOM 0 HB2 ARG B 11 28.065 2.198 -7.419 1.00 0.00 H new ATOM 0 HB3 ARG B 11 28.021 0.526 -6.897 1.00 0.00 H new ATOM 0 HG2 ARG B 11 30.177 0.555 -6.134 1.00 0.00 H new ATOM 0 HG3 ARG B 11 30.740 1.603 -7.420 1.00 0.00 H new ATOM 0 HD2 ARG B 11 30.761 3.268 -5.898 1.00 0.00 H new ATOM 0 HD3 ARG B 11 29.012 3.262 -6.001 1.00 0.00 H new ATOM 0 HE ARG B 11 30.660 2.192 -3.815 1.00 0.00 H new ATOM 0 HH11 ARG B 11 27.504 2.232 -5.397 1.00 0.00 H new ATOM 0 HH12 ARG B 11 26.643 1.702 -3.948 1.00 0.00 H new ATOM 0 HH21 ARG B 11 29.546 1.511 -1.958 1.00 0.00 H new ATOM 0 HH22 ARG B 11 27.794 1.295 -2.009 1.00 0.00 H new ATOM 1168 N VAL B 12 29.464 -1.501 -8.537 1.00 0.00 N ATOM 1169 CA VAL B 12 30.374 -2.640 -8.558 1.00 0.00 C ATOM 1170 C VAL B 12 30.689 -3.065 -9.988 1.00 0.00 C ATOM 1171 O VAL B 12 31.852 -3.134 -10.384 1.00 0.00 O ATOM 1172 CB VAL B 12 29.786 -3.842 -7.795 1.00 0.00 C ATOM 1173 CG1 VAL B 12 30.688 -5.059 -7.938 1.00 0.00 C ATOM 1174 CG2 VAL B 12 29.579 -3.492 -6.329 1.00 0.00 C ATOM 0 H VAL B 12 28.534 -1.711 -8.176 1.00 0.00 H new ATOM 0 HA VAL B 12 31.293 -2.321 -8.066 1.00 0.00 H new ATOM 0 HB VAL B 12 28.816 -4.086 -8.228 1.00 0.00 H new ATOM 0 HG11 VAL B 12 30.256 -5.898 -7.392 1.00 0.00 H new ATOM 0 HG12 VAL B 12 30.781 -5.321 -8.992 1.00 0.00 H new ATOM 0 HG13 VAL B 12 31.674 -4.831 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL B 12 29.163 -4.352 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL B 12 30.535 -3.222 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL B 12 28.890 -2.651 -6.249 1.00 0.00 H new ATOM 1184 N ALA B 13 29.644 -3.349 -10.759 1.00 0.00 N ATOM 1185 CA ALA B 13 29.809 -3.765 -12.146 1.00 0.00 C ATOM 1186 C ALA B 13 30.742 -2.820 -12.895 1.00 0.00 C ATOM 1187 O ALA B 13 31.766 -3.242 -13.433 1.00 0.00 O ATOM 1188 CB ALA B 13 28.457 -3.835 -12.840 1.00 0.00 C ATOM 0 H ALA B 13 28.674 -3.298 -10.446 1.00 0.00 H new ATOM 0 HA ALA B 13 30.259 -4.758 -12.151 1.00 0.00 H new ATOM 0 HB1 ALA B 13 28.595 -4.147 -13.875 1.00 0.00 H new ATOM 0 HB2 ALA B 13 27.821 -4.555 -12.326 1.00 0.00 H new ATOM 0 HB3 ALA B 13 27.985 -2.853 -12.817 1.00 0.00 H new ATOM 1194 N GLN B 14 30.382 -1.541 -12.926 1.00 0.00 N ATOM 1195 CA GLN B 14 31.187 -0.537 -13.612 1.00 0.00 C ATOM 1196 C GLN B 14 32.606 -0.504 -13.053 1.00 0.00 C ATOM 1197 O GLN B 14 33.580 -0.545 -13.804 1.00 0.00 O ATOM 1198 CB GLN B 14 30.541 0.843 -13.478 1.00 0.00 C ATOM 1199 CG GLN B 14 31.420 1.977 -13.983 1.00 0.00 C ATOM 1200 CD GLN B 14 31.822 1.802 -15.434 1.00 0.00 C ATOM 1201 OE1 GLN B 14 31.123 1.149 -16.210 1.00 0.00 O ATOM 1202 NE2 GLN B 14 32.954 2.387 -15.809 1.00 0.00 N ATOM 0 H GLN B 14 29.538 -1.176 -12.484 1.00 0.00 H new ATOM 0 HA GLN B 14 31.237 -0.806 -14.667 1.00 0.00 H new ATOM 0 HB2 GLN B 14 29.601 0.850 -14.029 1.00 0.00 H new ATOM 0 HB3 GLN B 14 30.298 1.021 -12.431 1.00 0.00 H new ATOM 0 HG2 GLN B 14 30.889 2.922 -13.869 1.00 0.00 H new ATOM 0 HG3 GLN B 14 32.317 2.039 -13.366 1.00 0.00 H new ATOM 0 HE21 GLN B 14 33.502 2.919 -15.132 1.00 0.00 H new ATOM 0 HE22 GLN B 14 33.275 2.305 -16.774 1.00 0.00 H new ATOM 1211 N ALA B 15 32.714 -0.428 -11.731 1.00 0.00 N ATOM 1212 CA ALA B 15 34.014 -0.391 -11.072 1.00 0.00 C ATOM 1213 C ALA B 15 34.892 -1.553 -11.524 1.00 0.00 C ATOM 1214 O ALA B 15 36.066 -1.368 -11.847 1.00 0.00 O ATOM 1215 CB ALA B 15 33.840 -0.415 -9.560 1.00 0.00 C ATOM 0 H ALA B 15 31.917 -0.391 -11.095 1.00 0.00 H new ATOM 0 HA ALA B 15 34.511 0.537 -11.355 1.00 0.00 H new ATOM 0 HB1 ALA B 15 34.819 -0.387 -9.081 1.00 0.00 H new ATOM 0 HB2 ALA B 15 33.258 0.452 -9.247 1.00 0.00 H new ATOM 0 HB3 ALA B 15 33.319 -1.327 -9.268 1.00 0.00 H new ATOM 1221 N PHE B 16 34.317 -2.751 -11.544 1.00 0.00 N ATOM 1222 CA PHE B 16 35.048 -3.943 -11.955 1.00 0.00 C ATOM 1223 C PHE B 16 35.595 -3.785 -13.370 1.00 0.00 C ATOM 1224 O PHE B 16 36.806 -3.823 -13.588 1.00 0.00 O ATOM 1225 CB PHE B 16 34.142 -5.174 -11.880 1.00 0.00 C ATOM 1226 CG PHE B 16 34.317 -5.972 -10.620 1.00 0.00 C ATOM 1227 CD1 PHE B 16 35.360 -6.877 -10.497 1.00 0.00 C ATOM 1228 CD2 PHE B 16 33.439 -5.819 -9.560 1.00 0.00 C ATOM 1229 CE1 PHE B 16 35.524 -7.613 -9.338 1.00 0.00 C ATOM 1230 CE2 PHE B 16 33.599 -6.551 -8.399 1.00 0.00 C ATOM 1231 CZ PHE B 16 34.642 -7.450 -8.288 1.00 0.00 C ATOM 0 H PHE B 16 33.347 -2.922 -11.280 1.00 0.00 H new ATOM 0 HA PHE B 16 35.888 -4.077 -11.273 1.00 0.00 H new ATOM 0 HB2 PHE B 16 33.103 -4.855 -11.957 1.00 0.00 H new ATOM 0 HB3 PHE B 16 34.343 -5.816 -12.738 1.00 0.00 H new ATOM 0 HD1 PHE B 16 36.052 -7.009 -11.316 1.00 0.00 H new ATOM 0 HD2 PHE B 16 32.620 -5.120 -9.642 1.00 0.00 H new ATOM 0 HE1 PHE B 16 36.341 -8.314 -9.254 1.00 0.00 H new ATOM 0 HE2 PHE B 16 32.909 -6.420 -7.579 1.00 0.00 H new ATOM 0 HZ PHE B 16 34.767 -8.024 -7.382 1.00 0.00 H new ATOM 1241 N VAL B 17 34.693 -3.608 -14.331 1.00 0.00 N ATOM 1242 CA VAL B 17 35.084 -3.444 -15.726 1.00 0.00 C ATOM 1243 C VAL B 17 36.008 -2.244 -15.900 1.00 0.00 C ATOM 1244 O VAL B 17 36.783 -2.177 -16.854 1.00 0.00 O ATOM 1245 CB VAL B 17 33.854 -3.267 -16.636 1.00 0.00 C ATOM 1246 CG1 VAL B 17 32.964 -4.500 -16.577 1.00 0.00 C ATOM 1247 CG2 VAL B 17 33.076 -2.019 -16.244 1.00 0.00 C ATOM 0 H VAL B 17 33.687 -3.575 -14.169 1.00 0.00 H new ATOM 0 HA VAL B 17 35.614 -4.352 -16.015 1.00 0.00 H new ATOM 0 HB VAL B 17 34.198 -3.145 -17.663 1.00 0.00 H new ATOM 0 HG11 VAL B 17 32.100 -4.357 -17.226 1.00 0.00 H new ATOM 0 HG12 VAL B 17 33.527 -5.372 -16.910 1.00 0.00 H new ATOM 0 HG13 VAL B 17 32.626 -4.656 -15.553 1.00 0.00 H new ATOM 0 HG21 VAL B 17 32.210 -1.910 -16.897 1.00 0.00 H new ATOM 0 HG22 VAL B 17 32.741 -2.108 -15.210 1.00 0.00 H new ATOM 0 HG23 VAL B 17 33.718 -1.144 -16.343 1.00 0.00 H new ATOM 1257 N ASP B 18 35.921 -1.297 -14.972 1.00 0.00 N ATOM 1258 CA ASP B 18 36.750 -0.099 -15.021 1.00 0.00 C ATOM 1259 C ASP B 18 38.216 -0.443 -14.774 1.00 0.00 C ATOM 1260 O ASP B 18 39.074 -0.194 -15.622 1.00 0.00 O ATOM 1261 CB ASP B 18 36.272 0.921 -13.987 1.00 0.00 C ATOM 1262 CG ASP B 18 36.926 2.277 -14.166 1.00 0.00 C ATOM 1263 OD1 ASP B 18 37.438 2.547 -15.272 1.00 0.00 O ATOM 1264 OD2 ASP B 18 36.926 3.068 -13.200 1.00 0.00 O ATOM 0 H ASP B 18 35.284 -1.336 -14.176 1.00 0.00 H new ATOM 0 HA ASP B 18 36.659 0.335 -16.017 1.00 0.00 H new ATOM 0 HB2 ASP B 18 35.190 1.030 -14.062 1.00 0.00 H new ATOM 0 HB3 ASP B 18 36.486 0.547 -12.986 1.00 0.00 H new ATOM 1269 N TYR B 19 38.496 -1.015 -13.609 1.00 0.00 N ATOM 1270 CA TYR B 19 39.859 -1.389 -13.249 1.00 0.00 C ATOM 1271 C TYR B 19 40.390 -2.473 -14.182 1.00 0.00 C ATOM 1272 O TYR B 19 41.600 -2.636 -14.336 1.00 0.00 O ATOM 1273 CB TYR B 19 39.910 -1.877 -11.800 1.00 0.00 C ATOM 1274 CG TYR B 19 39.859 -3.382 -11.666 1.00 0.00 C ATOM 1275 CD1 TYR B 19 41.002 -4.153 -11.836 1.00 0.00 C ATOM 1276 CD2 TYR B 19 38.668 -4.033 -11.370 1.00 0.00 C ATOM 1277 CE1 TYR B 19 40.960 -5.529 -11.715 1.00 0.00 C ATOM 1278 CE2 TYR B 19 38.617 -5.408 -11.245 1.00 0.00 C ATOM 1279 CZ TYR B 19 39.765 -6.151 -11.419 1.00 0.00 C ATOM 1280 OH TYR B 19 39.718 -7.521 -11.297 1.00 0.00 O ATOM 0 H TYR B 19 37.798 -1.230 -12.897 1.00 0.00 H new ATOM 0 HA TYR B 19 40.490 -0.506 -13.350 1.00 0.00 H new ATOM 0 HB2 TYR B 19 40.824 -1.510 -11.334 1.00 0.00 H new ATOM 0 HB3 TYR B 19 39.075 -1.443 -11.250 1.00 0.00 H new ATOM 0 HD1 TYR B 19 41.939 -3.669 -12.067 1.00 0.00 H new ATOM 0 HD2 TYR B 19 37.766 -3.454 -11.235 1.00 0.00 H new ATOM 0 HE1 TYR B 19 41.858 -6.114 -11.851 1.00 0.00 H new ATOM 0 HE2 TYR B 19 37.683 -5.898 -11.012 1.00 0.00 H new ATOM 0 HH TYR B 19 39.552 -7.922 -12.176 1.00 0.00 H new ATOM 1290 N MET B 20 39.475 -3.212 -14.801 1.00 0.00 N ATOM 1291 CA MET B 20 39.851 -4.280 -15.721 1.00 0.00 C ATOM 1292 C MET B 20 40.236 -3.714 -17.083 1.00 0.00 C ATOM 1293 O MET B 20 41.186 -4.178 -17.713 1.00 0.00 O ATOM 1294 CB MET B 20 38.700 -5.276 -15.876 1.00 0.00 C ATOM 1295 CG MET B 20 38.390 -6.050 -14.605 1.00 0.00 C ATOM 1296 SD MET B 20 39.102 -7.706 -14.609 1.00 0.00 S ATOM 1297 CE MET B 20 40.851 -7.322 -14.671 1.00 0.00 C ATOM 0 H MET B 20 38.469 -3.091 -14.683 1.00 0.00 H new ATOM 0 HA MET B 20 40.716 -4.797 -15.305 1.00 0.00 H new ATOM 0 HB2 MET B 20 37.806 -4.739 -16.192 1.00 0.00 H new ATOM 0 HB3 MET B 20 38.945 -5.981 -16.670 1.00 0.00 H new ATOM 0 HG2 MET B 20 38.770 -5.497 -13.746 1.00 0.00 H new ATOM 0 HG3 MET B 20 37.309 -6.124 -14.484 1.00 0.00 H new ATOM 0 HE1 MET B 20 41.414 -8.107 -14.166 1.00 0.00 H new ATOM 0 HE2 MET B 20 41.172 -7.256 -15.710 1.00 0.00 H new ATOM 0 HE3 MET B 20 41.032 -6.369 -14.174 1.00 0.00 H new ATOM 1307 N ALA B 21 39.493 -2.708 -17.533 1.00 0.00 N ATOM 1308 CA ALA B 21 39.759 -2.078 -18.820 1.00 0.00 C ATOM 1309 C ALA B 21 41.075 -1.308 -18.793 1.00 0.00 C ATOM 1310 O ALA B 21 41.849 -1.347 -19.750 1.00 0.00 O ATOM 1311 CB ALA B 21 38.612 -1.153 -19.202 1.00 0.00 C ATOM 0 H ALA B 21 38.702 -2.312 -17.025 1.00 0.00 H new ATOM 0 HA ALA B 21 39.843 -2.864 -19.571 1.00 0.00 H new ATOM 0 HB1 ALA B 21 38.824 -0.689 -20.165 1.00 0.00 H new ATOM 0 HB2 ALA B 21 37.689 -1.728 -19.271 1.00 0.00 H new ATOM 0 HB3 ALA B 21 38.501 -0.379 -18.443 1.00 0.00 H new ATOM 1317 N THR B 22 41.322 -0.606 -17.691 1.00 0.00 N ATOM 1318 CA THR B 22 42.544 0.175 -17.540 1.00 0.00 C ATOM 1319 C THR B 22 43.752 -0.730 -17.327 1.00 0.00 C ATOM 1320 O THR B 22 44.895 -0.282 -17.410 1.00 0.00 O ATOM 1321 CB THR B 22 42.439 1.159 -16.360 1.00 0.00 C ATOM 1322 OG1 THR B 22 43.567 2.041 -16.357 1.00 0.00 O ATOM 1323 CG2 THR B 22 42.369 0.411 -15.037 1.00 0.00 C ATOM 0 H THR B 22 40.692 -0.562 -16.890 1.00 0.00 H new ATOM 0 HA THR B 22 42.675 0.739 -18.463 1.00 0.00 H new ATOM 0 HB THR B 22 41.525 1.740 -16.479 1.00 0.00 H new ATOM 0 HG1 THR B 22 44.343 1.581 -16.741 1.00 0.00 H new ATOM 0 HG21 THR B 22 42.295 1.126 -14.218 1.00 0.00 H new ATOM 0 HG22 THR B 22 41.493 -0.238 -15.032 1.00 0.00 H new ATOM 0 HG23 THR B 22 43.268 -0.192 -14.912 1.00 0.00 H new ATOM 1331 N GLN B 23 43.490 -2.004 -17.054 1.00 0.00 N ATOM 1332 CA GLN B 23 44.558 -2.971 -16.829 1.00 0.00 C ATOM 1333 C GLN B 23 44.921 -3.692 -18.123 1.00 0.00 C ATOM 1334 O GLN B 23 45.855 -4.492 -18.159 1.00 0.00 O ATOM 1335 CB GLN B 23 44.139 -3.988 -15.766 1.00 0.00 C ATOM 1336 CG GLN B 23 44.377 -3.511 -14.342 1.00 0.00 C ATOM 1337 CD GLN B 23 45.849 -3.447 -13.986 1.00 0.00 C ATOM 1338 OE1 GLN B 23 46.421 -4.416 -13.485 1.00 0.00 O ATOM 1339 NE2 GLN B 23 46.472 -2.303 -14.244 1.00 0.00 N ATOM 0 H GLN B 23 42.549 -2.390 -16.983 1.00 0.00 H new ATOM 0 HA GLN B 23 45.436 -2.429 -16.477 1.00 0.00 H new ATOM 0 HB2 GLN B 23 43.081 -4.218 -15.892 1.00 0.00 H new ATOM 0 HB3 GLN B 23 44.688 -4.916 -15.926 1.00 0.00 H new ATOM 0 HG2 GLN B 23 43.933 -2.524 -14.215 1.00 0.00 H new ATOM 0 HG3 GLN B 23 43.868 -4.181 -13.649 1.00 0.00 H new ATOM 0 HE21 GLN B 23 45.959 -1.526 -14.660 1.00 0.00 H new ATOM 0 HE22 GLN B 23 47.463 -2.202 -14.026 1.00 0.00 H new ATOM 1348 N GLY B 24 44.174 -3.404 -19.185 1.00 0.00 N ATOM 1349 CA GLY B 24 44.432 -4.034 -20.467 1.00 0.00 C ATOM 1350 C GLY B 24 43.453 -5.150 -20.772 1.00 0.00 C ATOM 1351 O GLY B 24 43.681 -5.956 -21.674 1.00 0.00 O ATOM 0 H GLY B 24 43.395 -2.746 -19.180 1.00 0.00 H new ATOM 0 HA2 GLY B 24 44.379 -3.283 -21.255 1.00 0.00 H new ATOM 0 HA3 GLY B 24 45.446 -4.433 -20.475 1.00 0.00 H new ATOM 1355 N VAL B 25 42.360 -5.199 -20.017 1.00 0.00 N ATOM 1356 CA VAL B 25 41.343 -6.225 -20.211 1.00 0.00 C ATOM 1357 C VAL B 25 39.957 -5.605 -20.354 1.00 0.00 C ATOM 1358 O VAL B 25 39.418 -5.039 -19.403 1.00 0.00 O ATOM 1359 CB VAL B 25 41.326 -7.227 -19.042 1.00 0.00 C ATOM 1360 CG1 VAL B 25 40.487 -8.446 -19.394 1.00 0.00 C ATOM 1361 CG2 VAL B 25 42.744 -7.635 -18.671 1.00 0.00 C ATOM 0 H VAL B 25 42.156 -4.540 -19.265 1.00 0.00 H new ATOM 0 HA VAL B 25 41.598 -6.754 -21.129 1.00 0.00 H new ATOM 0 HB VAL B 25 40.873 -6.742 -18.177 1.00 0.00 H new ATOM 0 HG11 VAL B 25 40.487 -9.142 -18.555 1.00 0.00 H new ATOM 0 HG12 VAL B 25 39.464 -8.135 -19.607 1.00 0.00 H new ATOM 0 HG13 VAL B 25 40.907 -8.936 -20.272 1.00 0.00 H new ATOM 0 HG21 VAL B 25 42.714 -8.343 -17.843 1.00 0.00 H new ATOM 0 HG22 VAL B 25 43.225 -8.102 -19.531 1.00 0.00 H new ATOM 0 HG23 VAL B 25 43.310 -6.753 -18.373 1.00 0.00 H new ATOM 1371 N ILE B 26 39.386 -5.716 -21.549 1.00 0.00 N ATOM 1372 CA ILE B 26 38.062 -5.168 -21.816 1.00 0.00 C ATOM 1373 C ILE B 26 36.968 -6.103 -21.313 1.00 0.00 C ATOM 1374 O ILE B 26 37.013 -7.312 -21.548 1.00 0.00 O ATOM 1375 CB ILE B 26 37.852 -4.912 -23.320 1.00 0.00 C ATOM 1376 CG1 ILE B 26 38.898 -3.926 -23.843 1.00 0.00 C ATOM 1377 CG2 ILE B 26 36.447 -4.387 -23.577 1.00 0.00 C ATOM 1378 CD1 ILE B 26 38.845 -2.573 -23.168 1.00 0.00 C ATOM 0 H ILE B 26 39.819 -6.180 -22.347 1.00 0.00 H new ATOM 0 HA ILE B 26 37.999 -4.220 -21.282 1.00 0.00 H new ATOM 0 HB ILE B 26 37.970 -5.855 -23.854 1.00 0.00 H new ATOM 0 HG12 ILE B 26 39.891 -4.354 -23.703 1.00 0.00 H new ATOM 0 HG13 ILE B 26 38.756 -3.794 -24.916 1.00 0.00 H new ATOM 0 HG21 ILE B 26 36.314 -4.211 -24.644 1.00 0.00 H new ATOM 0 HG22 ILE B 26 35.716 -5.121 -23.236 1.00 0.00 H new ATOM 0 HG23 ILE B 26 36.303 -3.453 -23.034 1.00 0.00 H new ATOM 0 HD11 ILE B 26 39.615 -1.926 -23.589 1.00 0.00 H new ATOM 0 HD12 ILE B 26 37.865 -2.124 -23.330 1.00 0.00 H new ATOM 0 HD13 ILE B 26 39.017 -2.693 -22.098 1.00 0.00 H new ATOM 1390 N LEU B 27 35.985 -5.537 -20.622 1.00 0.00 N ATOM 1391 CA LEU B 27 34.876 -6.320 -20.087 1.00 0.00 C ATOM 1392 C LEU B 27 33.537 -5.730 -20.515 1.00 0.00 C ATOM 1393 O LEU B 27 33.455 -4.565 -20.907 1.00 0.00 O ATOM 1394 CB LEU B 27 34.957 -6.378 -18.560 1.00 0.00 C ATOM 1395 CG LEU B 27 35.994 -7.339 -17.979 1.00 0.00 C ATOM 1396 CD1 LEU B 27 35.973 -7.292 -16.459 1.00 0.00 C ATOM 1397 CD2 LEU B 27 35.745 -8.756 -18.474 1.00 0.00 C ATOM 0 H LEU B 27 35.933 -4.539 -20.419 1.00 0.00 H new ATOM 0 HA LEU B 27 34.951 -7.331 -20.487 1.00 0.00 H new ATOM 0 HB2 LEU B 27 35.172 -5.376 -18.189 1.00 0.00 H new ATOM 0 HB3 LEU B 27 33.976 -6.657 -18.174 1.00 0.00 H new ATOM 0 HG LEU B 27 36.981 -7.026 -18.318 1.00 0.00 H new ATOM 0 HD11 LEU B 27 36.718 -7.983 -16.063 1.00 0.00 H new ATOM 0 HD12 LEU B 27 36.201 -6.281 -16.123 1.00 0.00 H new ATOM 0 HD13 LEU B 27 34.985 -7.579 -16.100 1.00 0.00 H new ATOM 0 HD21 LEU B 27 36.493 -9.426 -18.050 1.00 0.00 H new ATOM 0 HD22 LEU B 27 34.751 -9.080 -18.165 1.00 0.00 H new ATOM 0 HD23 LEU B 27 35.813 -8.779 -19.562 1.00 0.00 H new ATOM 1409 N THR B 28 32.486 -6.541 -20.434 1.00 0.00 N ATOM 1410 CA THR B 28 31.149 -6.099 -20.812 1.00 0.00 C ATOM 1411 C THR B 28 30.149 -6.352 -19.690 1.00 0.00 C ATOM 1412 O THR B 28 30.178 -7.400 -19.044 1.00 0.00 O ATOM 1413 CB THR B 28 30.662 -6.811 -22.088 1.00 0.00 C ATOM 1414 OG1 THR B 28 31.757 -7.478 -22.726 1.00 0.00 O ATOM 1415 CG2 THR B 28 30.034 -5.819 -23.055 1.00 0.00 C ATOM 0 H THR B 28 32.535 -7.507 -20.110 1.00 0.00 H new ATOM 0 HA THR B 28 31.213 -5.028 -21.004 1.00 0.00 H new ATOM 0 HB THR B 28 29.907 -7.544 -21.802 1.00 0.00 H new ATOM 0 HG1 THR B 28 32.038 -8.242 -22.180 1.00 0.00 H new ATOM 0 HG21 THR B 28 29.698 -6.345 -23.948 1.00 0.00 H new ATOM 0 HG22 THR B 28 29.183 -5.334 -22.577 1.00 0.00 H new ATOM 0 HG23 THR B 28 30.771 -5.066 -23.333 1.00 0.00 H new ATOM 1423 N ILE B 29 29.266 -5.386 -19.462 1.00 0.00 N ATOM 1424 CA ILE B 29 28.255 -5.506 -18.418 1.00 0.00 C ATOM 1425 C ILE B 29 26.851 -5.518 -19.011 1.00 0.00 C ATOM 1426 O ILE B 29 26.573 -4.821 -19.987 1.00 0.00 O ATOM 1427 CB ILE B 29 28.360 -4.356 -17.399 1.00 0.00 C ATOM 1428 CG1 ILE B 29 29.699 -4.420 -16.660 1.00 0.00 C ATOM 1429 CG2 ILE B 29 27.202 -4.414 -16.414 1.00 0.00 C ATOM 1430 CD1 ILE B 29 29.880 -5.683 -15.847 1.00 0.00 C ATOM 0 H ILE B 29 29.230 -4.512 -19.986 1.00 0.00 H new ATOM 0 HA ILE B 29 28.439 -6.451 -17.908 1.00 0.00 H new ATOM 0 HB ILE B 29 28.308 -3.409 -17.936 1.00 0.00 H new ATOM 0 HG12 ILE B 29 30.509 -4.345 -17.385 1.00 0.00 H new ATOM 0 HG13 ILE B 29 29.782 -3.557 -15.999 1.00 0.00 H new ATOM 0 HG21 ILE B 29 27.290 -3.595 -15.700 1.00 0.00 H new ATOM 0 HG22 ILE B 29 26.260 -4.324 -16.955 1.00 0.00 H new ATOM 0 HG23 ILE B 29 27.225 -5.364 -15.881 1.00 0.00 H new ATOM 0 HD11 ILE B 29 30.850 -5.660 -15.351 1.00 0.00 H new ATOM 0 HD12 ILE B 29 29.091 -5.750 -15.098 1.00 0.00 H new ATOM 0 HD13 ILE B 29 29.829 -6.550 -16.506 1.00 0.00 H new ATOM 1442 N GLN B 30 25.969 -6.313 -18.414 1.00 0.00 N ATOM 1443 CA GLN B 30 24.592 -6.414 -18.883 1.00 0.00 C ATOM 1444 C GLN B 30 23.610 -6.062 -17.770 1.00 0.00 C ATOM 1445 O GLN B 30 23.362 -6.867 -16.873 1.00 0.00 O ATOM 1446 CB GLN B 30 24.310 -7.826 -19.401 1.00 0.00 C ATOM 1447 CG GLN B 30 24.375 -7.943 -20.915 1.00 0.00 C ATOM 1448 CD GLN B 30 23.029 -8.264 -21.534 1.00 0.00 C ATOM 1449 OE1 GLN B 30 22.302 -9.132 -21.050 1.00 0.00 O ATOM 1450 NE2 GLN B 30 22.690 -7.565 -22.611 1.00 0.00 N ATOM 0 H GLN B 30 26.183 -6.896 -17.605 1.00 0.00 H new ATOM 0 HA GLN B 30 24.459 -5.702 -19.698 1.00 0.00 H new ATOM 0 HB2 GLN B 30 25.030 -8.516 -18.960 1.00 0.00 H new ATOM 0 HB3 GLN B 30 23.322 -8.137 -19.063 1.00 0.00 H new ATOM 0 HG2 GLN B 30 24.749 -7.008 -21.332 1.00 0.00 H new ATOM 0 HG3 GLN B 30 25.090 -8.721 -21.185 1.00 0.00 H new ATOM 0 HE21 GLN B 30 23.323 -6.855 -22.978 1.00 0.00 H new ATOM 0 HE22 GLN B 30 21.796 -7.738 -23.071 1.00 0.00 H new ATOM 1459 N GLN B 31 23.056 -4.856 -17.836 1.00 0.00 N ATOM 1460 CA GLN B 31 22.102 -4.399 -16.833 1.00 0.00 C ATOM 1461 C GLN B 31 20.672 -4.711 -17.259 1.00 0.00 C ATOM 1462 O GLN B 31 20.182 -4.184 -18.259 1.00 0.00 O ATOM 1463 CB GLN B 31 22.260 -2.896 -16.597 1.00 0.00 C ATOM 1464 CG GLN B 31 22.298 -2.511 -15.126 1.00 0.00 C ATOM 1465 CD GLN B 31 21.348 -1.378 -14.794 1.00 0.00 C ATOM 1466 OE1 GLN B 31 21.530 -0.247 -15.245 1.00 0.00 O ATOM 1467 NE2 GLN B 31 20.324 -1.677 -14.002 1.00 0.00 N ATOM 0 H GLN B 31 23.251 -4.178 -18.573 1.00 0.00 H new ATOM 0 HA GLN B 31 22.308 -4.930 -15.904 1.00 0.00 H new ATOM 0 HB2 GLN B 31 23.178 -2.556 -17.077 1.00 0.00 H new ATOM 0 HB3 GLN B 31 21.435 -2.372 -17.080 1.00 0.00 H new ATOM 0 HG2 GLN B 31 22.045 -3.381 -14.520 1.00 0.00 H new ATOM 0 HG3 GLN B 31 23.313 -2.219 -14.857 1.00 0.00 H new ATOM 0 HE21 GLN B 31 20.212 -2.628 -13.651 1.00 0.00 H new ATOM 0 HE22 GLN B 31 19.650 -0.956 -13.745 1.00 0.00 H new ATOM 1524 N SER B 35 10.207 -3.359 -15.099 1.00 0.00 N ATOM 1525 CA SER B 35 9.363 -2.869 -14.014 1.00 0.00 C ATOM 1526 C SER B 35 8.020 -3.593 -14.002 1.00 0.00 C ATOM 1527 O SER B 35 7.070 -3.173 -14.662 1.00 0.00 O ATOM 1528 CB SER B 35 9.142 -1.362 -14.153 1.00 0.00 C ATOM 1529 OG SER B 35 10.370 -0.682 -14.352 1.00 0.00 O ATOM 0 HA SER B 35 9.872 -3.069 -13.071 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.474 -1.165 -14.991 1.00 0.00 H new ATOM 0 HB3 SER B 35 8.652 -0.979 -13.258 1.00 0.00 H new ATOM 0 HG SER B 35 11.037 -1.308 -14.703 1.00 0.00 H new ATOM 1535 N ASP B 36 7.950 -4.683 -13.246 1.00 0.00 N ATOM 1536 CA ASP B 36 6.724 -5.466 -13.145 1.00 0.00 C ATOM 1537 C ASP B 36 5.750 -4.825 -12.161 1.00 0.00 C ATOM 1538 O ASP B 36 6.075 -4.624 -10.991 1.00 0.00 O ATOM 1539 CB ASP B 36 7.042 -6.897 -12.708 1.00 0.00 C ATOM 1540 CG ASP B 36 5.849 -7.589 -12.079 1.00 0.00 C ATOM 1541 OD1 ASP B 36 4.717 -7.380 -12.564 1.00 0.00 O ATOM 1542 OD2 ASP B 36 6.047 -8.339 -11.101 1.00 0.00 O ATOM 0 H ASP B 36 8.728 -5.044 -12.694 1.00 0.00 H new ATOM 0 HA ASP B 36 6.255 -5.491 -14.129 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.378 -7.471 -13.571 1.00 0.00 H new ATOM 0 HB3 ASP B 36 7.867 -6.881 -11.995 1.00 0.00 H new ATOM 1547 N VAL B 37 4.553 -4.506 -12.644 1.00 0.00 N ATOM 1548 CA VAL B 37 3.531 -3.888 -11.807 1.00 0.00 C ATOM 1549 C VAL B 37 2.526 -4.923 -11.314 1.00 0.00 C ATOM 1550 O VAL B 37 2.014 -5.727 -12.093 1.00 0.00 O ATOM 1551 CB VAL B 37 2.779 -2.779 -12.567 1.00 0.00 C ATOM 1552 CG1 VAL B 37 3.689 -2.126 -13.596 1.00 0.00 C ATOM 1553 CG2 VAL B 37 1.529 -3.340 -13.227 1.00 0.00 C ATOM 0 H VAL B 37 4.267 -4.665 -13.610 1.00 0.00 H new ATOM 0 HA VAL B 37 4.044 -3.448 -10.952 1.00 0.00 H new ATOM 0 HB VAL B 37 2.473 -2.015 -11.852 1.00 0.00 H new ATOM 0 HG11 VAL B 37 3.141 -1.345 -14.123 1.00 0.00 H new ATOM 0 HG12 VAL B 37 4.551 -1.688 -13.093 1.00 0.00 H new ATOM 0 HG13 VAL B 37 4.028 -2.876 -14.310 1.00 0.00 H new ATOM 0 HG21 VAL B 37 1.010 -2.543 -13.759 1.00 0.00 H new ATOM 0 HG22 VAL B 37 1.810 -4.124 -13.931 1.00 0.00 H new ATOM 0 HG23 VAL B 37 0.870 -3.756 -12.465 1.00 0.00 H new ATOM 1563 N TRP B 38 2.247 -4.896 -10.016 1.00 0.00 N ATOM 1564 CA TRP B 38 1.301 -5.832 -9.418 1.00 0.00 C ATOM 1565 C TRP B 38 0.319 -5.105 -8.505 1.00 0.00 C ATOM 1566 O TRP B 38 0.653 -4.081 -7.908 1.00 0.00 O ATOM 1567 CB TRP B 38 2.048 -6.909 -8.630 1.00 0.00 C ATOM 1568 CG TRP B 38 3.426 -6.493 -8.213 1.00 0.00 C ATOM 1569 CD1 TRP B 38 4.442 -6.088 -9.031 1.00 0.00 C ATOM 1570 CD2 TRP B 38 3.938 -6.442 -6.877 1.00 0.00 C ATOM 1571 NE1 TRP B 38 5.556 -5.789 -8.283 1.00 0.00 N ATOM 1572 CE2 TRP B 38 5.272 -5.997 -6.959 1.00 0.00 C ATOM 1573 CE3 TRP B 38 3.400 -6.727 -5.619 1.00 0.00 C ATOM 1574 CZ2 TRP B 38 6.073 -5.833 -5.832 1.00 0.00 C ATOM 1575 CZ3 TRP B 38 4.196 -6.563 -4.502 1.00 0.00 C ATOM 1576 CH2 TRP B 38 5.520 -6.119 -4.614 1.00 0.00 C ATOM 0 H TRP B 38 2.662 -4.237 -9.357 1.00 0.00 H new ATOM 0 HA TRP B 38 0.738 -6.305 -10.222 1.00 0.00 H new ATOM 0 HB2 TRP B 38 1.470 -7.166 -7.742 1.00 0.00 H new ATOM 0 HB3 TRP B 38 2.117 -7.811 -9.238 1.00 0.00 H new ATOM 0 HD1 TRP B 38 4.379 -6.014 -10.107 1.00 0.00 H new ATOM 0 HE1 TRP B 38 6.449 -5.465 -8.654 1.00 0.00 H new ATOM 0 HE3 TRP B 38 2.380 -7.069 -5.522 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 7.094 -5.492 -5.916 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 3.790 -6.781 -3.525 1.00 0.00 H new ATOM 0 HH2 TRP B 38 6.116 -6.000 -3.721 1.00 0.00 H new ATOM 1587 N LEU B 39 -0.892 -5.640 -8.401 1.00 0.00 N ATOM 1588 CA LEU B 39 -1.923 -5.042 -7.560 1.00 0.00 C ATOM 1589 C LEU B 39 -2.257 -5.949 -6.380 1.00 0.00 C ATOM 1590 O LEU B 39 -2.087 -7.166 -6.452 1.00 0.00 O ATOM 1591 CB LEU B 39 -3.184 -4.769 -8.381 1.00 0.00 C ATOM 1592 CG LEU B 39 -4.432 -4.382 -7.587 1.00 0.00 C ATOM 1593 CD1 LEU B 39 -4.247 -3.020 -6.934 1.00 0.00 C ATOM 1594 CD2 LEU B 39 -5.659 -4.381 -8.487 1.00 0.00 C ATOM 0 H LEU B 39 -1.184 -6.487 -8.889 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.538 -4.099 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -2.966 -3.970 -9.089 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -3.412 -5.660 -8.966 1.00 0.00 H new ATOM 0 HG LEU B 39 -4.583 -5.122 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -5.145 -2.760 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.393 -3.054 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -4.070 -2.269 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.537 -4.103 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -5.517 -3.663 -9.295 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -5.802 -5.376 -8.908 1.00 0.00 H new ATOM 1606 N ALA B 40 -2.736 -5.349 -5.296 1.00 0.00 N ATOM 1607 CA ALA B 40 -3.098 -6.103 -4.102 1.00 0.00 C ATOM 1608 C ALA B 40 -4.607 -6.311 -4.021 1.00 0.00 C ATOM 1609 O ALA B 40 -5.076 -7.322 -3.498 1.00 0.00 O ATOM 1610 CB ALA B 40 -2.594 -5.391 -2.855 1.00 0.00 C ATOM 0 H ALA B 40 -2.883 -4.342 -5.220 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.625 -7.083 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.871 -5.965 -1.971 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -1.509 -5.299 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -3.040 -4.398 -2.798 1.00 0.00 H new ATOM 1616 N ASP B 41 -5.361 -5.350 -4.542 1.00 0.00 N ATOM 1617 CA ASP B 41 -6.817 -5.429 -4.529 1.00 0.00 C ATOM 1618 C ASP B 41 -7.332 -6.160 -5.765 1.00 0.00 C ATOM 1619 O ASP B 41 -7.589 -5.545 -6.799 1.00 0.00 O ATOM 1620 CB ASP B 41 -7.424 -4.026 -4.461 1.00 0.00 C ATOM 1621 CG ASP B 41 -8.917 -4.054 -4.197 1.00 0.00 C ATOM 1622 OD1 ASP B 41 -9.627 -4.817 -4.885 1.00 0.00 O ATOM 1623 OD2 ASP B 41 -9.374 -3.314 -3.301 1.00 0.00 O ATOM 0 H ASP B 41 -4.988 -4.507 -4.979 1.00 0.00 H new ATOM 0 HA ASP B 41 -7.119 -5.990 -3.645 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.929 -3.457 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -7.233 -3.505 -5.399 1.00 0.00 H new ATOM 1628 N GLU B 42 -7.481 -7.476 -5.648 1.00 0.00 N ATOM 1629 CA GLU B 42 -7.964 -8.291 -6.757 1.00 0.00 C ATOM 1630 C GLU B 42 -9.223 -7.685 -7.369 1.00 0.00 C ATOM 1631 O GLU B 42 -9.348 -7.589 -8.590 1.00 0.00 O ATOM 1632 CB GLU B 42 -8.250 -9.718 -6.283 1.00 0.00 C ATOM 1633 CG GLU B 42 -7.050 -10.399 -5.646 1.00 0.00 C ATOM 1634 CD GLU B 42 -7.449 -11.424 -4.602 1.00 0.00 C ATOM 1635 OE1 GLU B 42 -8.017 -12.469 -4.982 1.00 0.00 O ATOM 1636 OE2 GLU B 42 -7.191 -11.181 -3.404 1.00 0.00 O ATOM 0 H GLU B 42 -7.274 -8.000 -4.798 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.187 -8.318 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -9.069 -9.696 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -8.587 -10.313 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.459 -10.886 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.411 -9.646 -5.185 1.00 0.00 H new ATOM 1643 N SER B 43 -10.154 -7.277 -6.512 1.00 0.00 N ATOM 1644 CA SER B 43 -11.406 -6.684 -6.968 1.00 0.00 C ATOM 1645 C SER B 43 -11.141 -5.484 -7.872 1.00 0.00 C ATOM 1646 O SER B 43 -11.914 -5.201 -8.786 1.00 0.00 O ATOM 1647 CB SER B 43 -12.258 -6.257 -5.771 1.00 0.00 C ATOM 1648 OG SER B 43 -12.099 -7.155 -4.685 1.00 0.00 O ATOM 0 H SER B 43 -10.065 -7.346 -5.498 1.00 0.00 H new ATOM 0 HA SER B 43 -11.948 -7.436 -7.541 1.00 0.00 H new ATOM 0 HB2 SER B 43 -11.975 -5.251 -5.460 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.307 -6.217 -6.063 1.00 0.00 H new ATOM 0 HG SER B 43 -12.652 -6.859 -3.932 1.00 0.00 H new ATOM 1654 N GLN B 44 -10.043 -4.784 -7.608 1.00 0.00 N ATOM 1655 CA GLN B 44 -9.676 -3.614 -8.397 1.00 0.00 C ATOM 1656 C GLN B 44 -8.849 -4.015 -9.614 1.00 0.00 C ATOM 1657 O GLN B 44 -8.660 -3.223 -10.537 1.00 0.00 O ATOM 1658 CB GLN B 44 -8.893 -2.619 -7.539 1.00 0.00 C ATOM 1659 CG GLN B 44 -9.535 -1.244 -7.462 1.00 0.00 C ATOM 1660 CD GLN B 44 -10.977 -1.299 -6.997 1.00 0.00 C ATOM 1661 OE1 GLN B 44 -11.323 -2.066 -6.098 1.00 0.00 O ATOM 1662 NE2 GLN B 44 -11.828 -0.483 -7.609 1.00 0.00 N ATOM 0 H GLN B 44 -9.392 -5.006 -6.855 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.594 -3.140 -8.745 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -8.794 -3.021 -6.531 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -7.886 -2.518 -7.943 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -8.961 -0.617 -6.780 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -9.491 -0.771 -8.443 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -11.498 0.136 -8.349 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -12.812 -0.476 -7.339 1.00 0.00 H new ATOM 1671 N ALA B 45 -8.359 -5.251 -9.609 1.00 0.00 N ATOM 1672 CA ALA B 45 -7.554 -5.758 -10.713 1.00 0.00 C ATOM 1673 C ALA B 45 -8.239 -5.507 -12.052 1.00 0.00 C ATOM 1674 O ALA B 45 -7.583 -5.203 -13.048 1.00 0.00 O ATOM 1675 CB ALA B 45 -7.280 -7.243 -10.528 1.00 0.00 C ATOM 0 H ALA B 45 -8.506 -5.919 -8.852 1.00 0.00 H new ATOM 0 HA ALA B 45 -6.605 -5.222 -10.714 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.678 -7.608 -11.360 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.741 -7.400 -9.594 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -8.224 -7.786 -10.498 1.00 0.00 H new ATOM 1681 N GLU B 46 -9.562 -5.638 -12.069 1.00 0.00 N ATOM 1682 CA GLU B 46 -10.335 -5.427 -13.288 1.00 0.00 C ATOM 1683 C GLU B 46 -10.260 -3.970 -13.734 1.00 0.00 C ATOM 1684 O GLU B 46 -10.073 -3.681 -14.916 1.00 0.00 O ATOM 1685 CB GLU B 46 -11.794 -5.830 -13.069 1.00 0.00 C ATOM 1686 CG GLU B 46 -11.972 -7.291 -12.689 1.00 0.00 C ATOM 1687 CD GLU B 46 -13.419 -7.740 -12.760 1.00 0.00 C ATOM 1688 OE1 GLU B 46 -13.850 -8.185 -13.844 1.00 0.00 O ATOM 1689 OE2 GLU B 46 -14.119 -7.647 -11.730 1.00 0.00 O ATOM 0 H GLU B 46 -10.121 -5.889 -11.253 1.00 0.00 H new ATOM 0 HA GLU B 46 -9.907 -6.052 -14.072 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -12.221 -5.205 -12.285 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -12.358 -5.629 -13.980 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -11.370 -7.911 -13.353 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.596 -7.448 -11.678 1.00 0.00 H new ATOM 1696 N ARG B 47 -10.406 -3.057 -12.780 1.00 0.00 N ATOM 1697 CA ARG B 47 -10.357 -1.629 -13.074 1.00 0.00 C ATOM 1698 C ARG B 47 -8.996 -1.238 -13.641 1.00 0.00 C ATOM 1699 O ARG B 47 -8.906 -0.654 -14.721 1.00 0.00 O ATOM 1700 CB ARG B 47 -10.648 -0.816 -11.811 1.00 0.00 C ATOM 1701 CG ARG B 47 -10.606 0.687 -12.031 1.00 0.00 C ATOM 1702 CD ARG B 47 -9.252 1.268 -11.653 1.00 0.00 C ATOM 1703 NE ARG B 47 -9.106 2.651 -12.099 1.00 0.00 N ATOM 1704 CZ ARG B 47 -9.757 3.672 -11.553 1.00 0.00 C ATOM 1705 NH1 ARG B 47 -10.595 3.466 -10.546 1.00 0.00 N ATOM 1706 NH2 ARG B 47 -9.571 4.902 -12.015 1.00 0.00 N ATOM 0 H ARG B 47 -10.559 -3.280 -11.797 1.00 0.00 H new ATOM 0 HA ARG B 47 -11.120 -1.411 -13.822 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.632 -1.092 -11.430 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.923 -1.083 -11.042 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.819 0.909 -13.077 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.386 1.165 -11.438 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.127 1.221 -10.571 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -8.461 0.660 -12.092 1.00 0.00 H new ATOM 0 HE ARG B 47 -8.469 2.843 -12.872 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.741 2.522 -10.189 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.094 4.252 -10.129 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -8.928 5.064 -12.790 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.071 5.686 -11.595 1.00 0.00 H new ATOM 1720 N VAL B 48 -7.937 -1.564 -12.906 1.00 0.00 N ATOM 1721 CA VAL B 48 -6.581 -1.247 -13.336 1.00 0.00 C ATOM 1722 C VAL B 48 -6.296 -1.818 -14.720 1.00 0.00 C ATOM 1723 O VAL B 48 -5.657 -1.171 -15.550 1.00 0.00 O ATOM 1724 CB VAL B 48 -5.536 -1.791 -12.343 1.00 0.00 C ATOM 1725 CG1 VAL B 48 -5.608 -1.035 -11.025 1.00 0.00 C ATOM 1726 CG2 VAL B 48 -5.737 -3.283 -12.123 1.00 0.00 C ATOM 0 H VAL B 48 -7.993 -2.048 -12.010 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.506 -0.160 -13.372 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.543 -1.640 -12.767 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -4.863 -1.433 -10.336 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -5.411 0.023 -11.201 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -6.601 -1.152 -10.592 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -4.990 -3.651 -11.419 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.734 -3.460 -11.720 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.631 -3.808 -13.072 1.00 0.00 H new ATOM 1736 N ARG B 49 -6.774 -3.034 -14.963 1.00 0.00 N ATOM 1737 CA ARG B 49 -6.569 -3.694 -16.247 1.00 0.00 C ATOM 1738 C ARG B 49 -7.167 -2.868 -17.383 1.00 0.00 C ATOM 1739 O ARG B 49 -6.487 -2.554 -18.359 1.00 0.00 O ATOM 1740 CB ARG B 49 -7.195 -5.090 -16.233 1.00 0.00 C ATOM 1741 CG ARG B 49 -6.222 -6.190 -15.842 1.00 0.00 C ATOM 1742 CD ARG B 49 -6.935 -7.351 -15.168 1.00 0.00 C ATOM 1743 NE ARG B 49 -6.561 -8.636 -15.752 1.00 0.00 N ATOM 1744 CZ ARG B 49 -7.164 -9.782 -15.454 1.00 0.00 C ATOM 1745 NH1 ARG B 49 -8.164 -9.802 -14.584 1.00 0.00 N ATOM 1746 NH2 ARG B 49 -6.767 -10.911 -16.028 1.00 0.00 N ATOM 0 H ARG B 49 -7.306 -3.582 -14.287 1.00 0.00 H new ATOM 0 HA ARG B 49 -5.496 -3.787 -16.413 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -8.035 -5.095 -15.538 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -7.598 -5.308 -17.222 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -5.700 -6.548 -16.730 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -5.466 -5.786 -15.169 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -6.698 -7.354 -14.104 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -8.013 -7.214 -15.254 1.00 0.00 H new ATOM 0 HE ARG B 49 -5.795 -8.655 -16.425 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -8.472 -8.936 -14.141 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -8.625 -10.683 -14.357 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -5.998 -10.899 -16.698 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -7.230 -11.790 -15.799 1.00 0.00 H new ATOM 1760 N ALA B 50 -8.443 -2.522 -17.248 1.00 0.00 N ATOM 1761 CA ALA B 50 -9.131 -1.732 -18.261 1.00 0.00 C ATOM 1762 C ALA B 50 -8.422 -0.403 -18.497 1.00 0.00 C ATOM 1763 O ALA B 50 -7.980 -0.113 -19.608 1.00 0.00 O ATOM 1764 CB ALA B 50 -10.578 -1.496 -17.854 1.00 0.00 C ATOM 0 H ALA B 50 -9.021 -2.776 -16.447 1.00 0.00 H new ATOM 0 HA ALA B 50 -9.115 -2.293 -19.196 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.080 -0.905 -18.620 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.086 -2.454 -17.745 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.606 -0.960 -16.905 1.00 0.00 H new ATOM 1770 N GLU B 51 -8.318 0.402 -17.444 1.00 0.00 N ATOM 1771 CA GLU B 51 -7.663 1.702 -17.538 1.00 0.00 C ATOM 1772 C GLU B 51 -6.262 1.564 -18.126 1.00 0.00 C ATOM 1773 O GLU B 51 -5.866 2.334 -19.002 1.00 0.00 O ATOM 1774 CB GLU B 51 -7.587 2.360 -16.159 1.00 0.00 C ATOM 1775 CG GLU B 51 -8.941 2.536 -15.492 1.00 0.00 C ATOM 1776 CD GLU B 51 -10.028 2.928 -16.474 1.00 0.00 C ATOM 1777 OE1 GLU B 51 -10.125 4.129 -16.804 1.00 0.00 O ATOM 1778 OE2 GLU B 51 -10.782 2.035 -16.913 1.00 0.00 O ATOM 0 H GLU B 51 -8.679 0.177 -16.517 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.256 2.332 -18.201 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.949 1.757 -15.513 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.110 3.335 -16.257 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.222 1.606 -14.997 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.864 3.299 -14.717 1.00 0.00 H new ATOM 1785 N LEU B 52 -5.517 0.578 -17.639 1.00 0.00 N ATOM 1786 CA LEU B 52 -4.159 0.339 -18.115 1.00 0.00 C ATOM 1787 C LEU B 52 -4.130 0.209 -19.634 1.00 0.00 C ATOM 1788 O LEU B 52 -3.431 0.956 -20.318 1.00 0.00 O ATOM 1789 CB LEU B 52 -3.588 -0.927 -17.473 1.00 0.00 C ATOM 1790 CG LEU B 52 -2.185 -1.335 -17.925 1.00 0.00 C ATOM 1791 CD1 LEU B 52 -1.218 -1.310 -16.751 1.00 0.00 C ATOM 1792 CD2 LEU B 52 -2.212 -2.715 -18.566 1.00 0.00 C ATOM 0 H LEU B 52 -5.830 -0.069 -16.915 1.00 0.00 H new ATOM 0 HA LEU B 52 -3.545 1.193 -17.830 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.573 -0.787 -16.392 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -4.269 -1.753 -17.678 1.00 0.00 H new ATOM 0 HG LEU B 52 -1.840 -0.617 -18.669 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -0.225 -1.603 -17.091 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -1.177 -0.303 -16.335 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -1.559 -2.006 -15.984 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -1.205 -2.989 -18.882 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -2.577 -3.445 -17.843 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -2.873 -2.701 -19.433 1.00 0.00 H new ATOM 1804 N ALA B 53 -4.895 -0.744 -20.157 1.00 0.00 N ATOM 1805 CA ALA B 53 -4.960 -0.969 -21.595 1.00 0.00 C ATOM 1806 C ALA B 53 -5.327 0.313 -22.335 1.00 0.00 C ATOM 1807 O ALA B 53 -4.788 0.601 -23.404 1.00 0.00 O ATOM 1808 CB ALA B 53 -5.962 -2.069 -21.913 1.00 0.00 C ATOM 0 H ALA B 53 -5.479 -1.373 -19.605 1.00 0.00 H new ATOM 0 HA ALA B 53 -3.973 -1.283 -21.933 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -6.000 -2.226 -22.991 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -5.656 -2.993 -21.422 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.949 -1.777 -21.554 1.00 0.00 H new ATOM 1814 N ARG B 54 -6.248 1.080 -21.760 1.00 0.00 N ATOM 1815 CA ARG B 54 -6.689 2.330 -22.367 1.00 0.00 C ATOM 1816 C ARG B 54 -5.602 3.396 -22.265 1.00 0.00 C ATOM 1817 O ARG B 54 -5.584 4.355 -23.037 1.00 0.00 O ATOM 1818 CB ARG B 54 -7.969 2.826 -21.692 1.00 0.00 C ATOM 1819 CG ARG B 54 -9.201 2.009 -22.048 1.00 0.00 C ATOM 1820 CD ARG B 54 -10.397 2.406 -21.197 1.00 0.00 C ATOM 1821 NE ARG B 54 -11.558 1.558 -21.456 1.00 0.00 N ATOM 1822 CZ ARG B 54 -12.661 1.575 -20.716 1.00 0.00 C ATOM 1823 NH1 ARG B 54 -12.752 2.393 -19.676 1.00 0.00 N ATOM 1824 NH2 ARG B 54 -13.675 0.774 -21.015 1.00 0.00 N ATOM 0 H ARG B 54 -6.703 0.857 -20.875 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.892 2.141 -23.421 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.831 2.807 -20.611 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.139 3.865 -21.973 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.440 2.150 -23.102 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.989 0.949 -21.908 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.129 2.342 -20.142 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.655 3.446 -21.397 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.520 0.917 -22.249 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.974 3.010 -19.443 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.600 2.405 -19.109 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.609 0.144 -21.814 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.521 0.788 -20.446 1.00 0.00 H new ATOM 1838 N PHE B 55 -4.698 3.222 -21.306 1.00 0.00 N ATOM 1839 CA PHE B 55 -3.609 4.170 -21.102 1.00 0.00 C ATOM 1840 C PHE B 55 -2.420 3.834 -21.998 1.00 0.00 C ATOM 1841 O PHE B 55 -1.749 4.726 -22.519 1.00 0.00 O ATOM 1842 CB PHE B 55 -3.172 4.170 -19.635 1.00 0.00 C ATOM 1843 CG PHE B 55 -2.510 5.448 -19.207 1.00 0.00 C ATOM 1844 CD1 PHE B 55 -3.122 6.670 -19.433 1.00 0.00 C ATOM 1845 CD2 PHE B 55 -1.276 5.427 -18.577 1.00 0.00 C ATOM 1846 CE1 PHE B 55 -2.516 7.849 -19.039 1.00 0.00 C ATOM 1847 CE2 PHE B 55 -0.665 6.602 -18.181 1.00 0.00 C ATOM 1848 CZ PHE B 55 -1.285 7.814 -18.414 1.00 0.00 C ATOM 0 H PHE B 55 -4.698 2.434 -20.659 1.00 0.00 H new ATOM 0 HA PHE B 55 -3.972 5.163 -21.366 1.00 0.00 H new ATOM 0 HB2 PHE B 55 -4.043 3.993 -19.005 1.00 0.00 H new ATOM 0 HB3 PHE B 55 -2.484 3.341 -19.469 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -4.084 6.702 -19.923 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -0.786 4.482 -18.393 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -3.004 8.795 -19.220 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.296 6.572 -17.690 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.808 8.733 -18.108 1.00 0.00 H new ATOM 1858 N LEU B 56 -2.166 2.542 -22.173 1.00 0.00 N ATOM 1859 CA LEU B 56 -1.058 2.086 -23.005 1.00 0.00 C ATOM 1860 C LEU B 56 -1.176 2.640 -24.421 1.00 0.00 C ATOM 1861 O LEU B 56 -0.175 2.984 -25.049 1.00 0.00 O ATOM 1862 CB LEU B 56 -1.020 0.557 -23.045 1.00 0.00 C ATOM 1863 CG LEU B 56 -0.593 -0.138 -21.752 1.00 0.00 C ATOM 1864 CD1 LEU B 56 -0.818 -1.639 -21.853 1.00 0.00 C ATOM 1865 CD2 LEU B 56 0.865 0.165 -21.440 1.00 0.00 C ATOM 0 H LEU B 56 -2.712 1.792 -21.750 1.00 0.00 H new ATOM 0 HA LEU B 56 -0.131 2.455 -22.566 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -2.012 0.196 -23.317 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.340 0.251 -23.840 1.00 0.00 H new ATOM 0 HG LEU B 56 -1.206 0.246 -20.936 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -0.508 -2.117 -20.923 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -1.875 -1.837 -22.028 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -0.232 -2.040 -22.680 1.00 0.00 H new ATOM 0 HD21 LEU B 56 1.152 -0.338 -20.516 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.493 -0.190 -22.257 1.00 0.00 H new ATOM 0 HD23 LEU B 56 0.996 1.241 -21.323 1.00 0.00 H new