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 -91:sc= 0.244 USER MOD Set 1.2: B 20 MET CE :methyl 143:sc= -2.17 (180deg=-4.14!) USER MOD Set 2.1: A 19 TYR OH : rot -97:sc= -0.449 USER MOD Set 2.2: A 20 MET CE :methyl 143:sc= -2.34 (180deg=-4.56!) USER MOD Single : A 1 MET CE :methyl 144:sc= -4.13! (180deg=-6.08!) USER MOD Single : A 1 MET N :NH3+ -161:sc= 0 (180deg=-0.155) USER MOD Single : A 3 MET CE :methyl -119:sc= -2.34 (180deg=-7.56!) USER MOD Single : A 5 THR OG1 : rot 33:sc= 0.0916 USER MOD Single : A 6 SER OG : rot 37:sc= 0.00108 USER MOD Single : A 9 ASN : amide:sc= -1 K(o=-1,f=-5!) USER MOD Single : A 14 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.8) USER MOD Single : A 22 THR OG1 : rot -23:sc= 0.297 USER MOD Single : A 23 GLN : amide:sc= 0.23 K(o=0.23,f=-6.4!) USER MOD Single : A 28 THR OG1 : rot 69:sc= 0.643 USER MOD Single : A 30 GLN : amide:sc= -0.0795 X(o=-0.079,f=-0.43) USER MOD Single : A 31 GLN : amide:sc= -0.0698 X(o=-0.07,f=0) USER MOD Single : A 35 SER OG : rot 16:sc= 0.525 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0468 USER MOD Single : A 44 GLN : amide:sc= -0.644 K(o=-0.64,f=-1.7!) USER MOD Single : B 1 MET CE :methyl 145:sc= -3.92! (180deg=-5.64!) USER MOD Single : B 1 MET N :NH3+ -162:sc= 0 (180deg=-0.112) USER MOD Single : B 3 MET CE :methyl -116:sc= -2.5 (180deg=-7.81!) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.14 USER MOD Single : B 6 SER OG : rot 40:sc=0.000242 USER MOD Single : B 9 ASN : amide:sc= -1.02 K(o=-1,f=-4.9!) USER MOD Single : B 14 GLN : amide:sc= -0.283 K(o=-0.28,f=-2) USER MOD Single : B 22 THR OG1 : rot -29:sc= 0.216 USER MOD Single : B 23 GLN : amide:sc= -0.155 K(o=-0.15,f=-3.6!) USER MOD Single : B 28 THR OG1 : rot 67:sc= 0.662 USER MOD Single : B 30 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.47) USER MOD Single : B 31 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.063) USER MOD Single : B 35 SER OG : rot 29:sc= 0.417 USER MOD Single : B 43 SER OG : rot 180:sc= 0.041 USER MOD Single : B 44 GLN : amide:sc= -0.612 K(o=-0.61,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.186 -11.255 -4.234 1.00 0.00 N ATOM 2 CA MET A 1 -1.476 -10.380 -5.160 1.00 0.00 C ATOM 3 C MET A 1 -1.616 -10.877 -6.595 1.00 0.00 C ATOM 4 O MET A 1 -1.238 -12.006 -6.911 1.00 0.00 O ATOM 5 CB MET A 1 0.003 -10.292 -4.780 1.00 0.00 C ATOM 6 CG MET A 1 0.244 -9.668 -3.415 1.00 0.00 C ATOM 7 SD MET A 1 1.279 -8.194 -3.498 1.00 0.00 S ATOM 8 CE MET A 1 0.350 -7.193 -4.658 1.00 0.00 C ATOM 0 H1 MET A 1 -2.355 -10.751 -3.340 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.097 -11.536 -4.651 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.613 -12.103 -4.050 1.00 0.00 H new ATOM 0 HA MET A 1 -1.920 -9.387 -5.094 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.433 -11.293 -4.794 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.530 -9.708 -5.535 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.714 -9.410 -2.964 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.716 -10.402 -2.762 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.421 -6.144 -4.371 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.759 -7.323 -5.660 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.695 -7.502 -4.650 1.00 0.00 H new ATOM 18 N LEU A 2 -2.161 -10.029 -7.460 1.00 0.00 N ATOM 19 CA LEU A 2 -2.351 -10.383 -8.862 1.00 0.00 C ATOM 20 C LEU A 2 -1.587 -9.428 -9.773 1.00 0.00 C ATOM 21 O LEU A 2 -1.799 -8.216 -9.736 1.00 0.00 O ATOM 22 CB LEU A 2 -3.839 -10.364 -9.217 1.00 0.00 C ATOM 23 CG LEU A 2 -4.178 -10.526 -10.699 1.00 0.00 C ATOM 24 CD1 LEU A 2 -3.634 -11.843 -11.230 1.00 0.00 C ATOM 25 CD2 LEU A 2 -5.682 -10.443 -10.914 1.00 0.00 C ATOM 0 H LEU A 2 -2.479 -9.091 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.961 -11.390 -9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.334 -11.161 -8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.263 -9.422 -8.869 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.707 -9.713 -11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.885 -11.941 -12.286 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.551 -11.864 -11.111 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.076 -12.670 -10.674 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.905 -10.560 -11.974 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.174 -11.235 -10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.046 -9.474 -10.572 1.00 0.00 H new ATOM 37 N MET A 3 -0.699 -9.982 -10.593 1.00 0.00 N ATOM 38 CA MET A 3 0.093 -9.179 -11.516 1.00 0.00 C ATOM 39 C MET A 3 -0.807 -8.363 -12.438 1.00 0.00 C ATOM 40 O MET A 3 -1.712 -8.903 -13.074 1.00 0.00 O ATOM 41 CB MET A 3 1.013 -10.077 -12.347 1.00 0.00 C ATOM 42 CG MET A 3 2.374 -9.460 -12.626 1.00 0.00 C ATOM 43 SD MET A 3 3.081 -10.016 -14.188 1.00 0.00 S ATOM 44 CE MET A 3 4.160 -8.641 -14.580 1.00 0.00 C ATOM 0 H MET A 3 -0.511 -10.983 -10.636 1.00 0.00 H new ATOM 0 HA MET A 3 0.701 -8.491 -10.929 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.152 -11.023 -11.824 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.525 -10.305 -13.295 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.280 -8.374 -12.640 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.056 -9.711 -11.813 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.850 -8.193 -15.524 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.102 -7.895 -13.787 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.186 -8.997 -14.668 1.00 0.00 H new ATOM 54 N ILE A 4 -0.554 -7.060 -12.504 1.00 0.00 N ATOM 55 CA ILE A 4 -1.341 -6.171 -13.348 1.00 0.00 C ATOM 56 C ILE A 4 -0.763 -6.095 -14.757 1.00 0.00 C ATOM 57 O ILE A 4 -1.495 -6.158 -15.745 1.00 0.00 O ATOM 58 CB ILE A 4 -1.412 -4.750 -12.757 1.00 0.00 C ATOM 59 CG1 ILE A 4 -2.146 -4.769 -11.415 1.00 0.00 C ATOM 60 CG2 ILE A 4 -2.102 -3.806 -13.731 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.519 -5.401 -11.485 1.00 0.00 C ATOM 0 H ILE A 4 0.190 -6.597 -11.983 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.347 -6.588 -13.393 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.397 -4.390 -12.590 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.542 -5.311 -10.688 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.244 -3.747 -11.049 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.145 -2.806 -13.300 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.542 -3.775 -14.666 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.114 -4.161 -13.926 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.980 -5.380 -10.498 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.140 -4.845 -12.188 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.427 -6.434 -11.820 1.00 0.00 H new ATOM 73 N THR A 5 0.557 -5.961 -14.843 1.00 0.00 N ATOM 74 CA THR A 5 1.235 -5.878 -16.130 1.00 0.00 C ATOM 75 C THR A 5 2.748 -5.836 -15.953 1.00 0.00 C ATOM 76 O THR A 5 3.254 -5.910 -14.833 1.00 0.00 O ATOM 77 CB THR A 5 0.787 -4.634 -16.921 1.00 0.00 C ATOM 78 OG1 THR A 5 1.219 -4.738 -18.282 1.00 0.00 O ATOM 79 CG2 THR A 5 1.353 -3.366 -16.300 1.00 0.00 C ATOM 0 H THR A 5 1.178 -5.908 -14.035 1.00 0.00 H new ATOM 0 HA THR A 5 0.963 -6.773 -16.689 1.00 0.00 H new ATOM 0 HB THR A 5 -0.301 -4.582 -16.888 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.213 -5.679 -18.556 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.023 -2.501 -16.875 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.000 -3.275 -15.273 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.442 -3.413 -16.306 1.00 0.00 H new ATOM 87 N SER A 6 3.467 -5.716 -17.065 1.00 0.00 N ATOM 88 CA SER A 6 4.924 -5.667 -17.032 1.00 0.00 C ATOM 89 C SER A 6 5.450 -4.551 -17.928 1.00 0.00 C ATOM 90 O SER A 6 5.085 -4.455 -19.100 1.00 0.00 O ATOM 91 CB SER A 6 5.510 -7.010 -17.473 1.00 0.00 C ATOM 92 OG SER A 6 4.822 -7.521 -18.602 1.00 0.00 O ATOM 0 H SER A 6 3.064 -5.651 -18.000 1.00 0.00 H new ATOM 0 HA SER A 6 5.233 -5.462 -16.007 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.567 -6.888 -17.712 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.449 -7.724 -16.652 1.00 0.00 H new ATOM 0 HG SER A 6 4.576 -6.782 -19.197 1.00 0.00 H new ATOM 98 N PHE A 7 6.311 -3.707 -17.368 1.00 0.00 N ATOM 99 CA PHE A 7 6.888 -2.595 -18.115 1.00 0.00 C ATOM 100 C PHE A 7 8.409 -2.704 -18.163 1.00 0.00 C ATOM 101 O PHE A 7 9.000 -3.575 -17.526 1.00 0.00 O ATOM 102 CB PHE A 7 6.480 -1.262 -17.483 1.00 0.00 C ATOM 103 CG PHE A 7 5.010 -0.974 -17.590 1.00 0.00 C ATOM 104 CD1 PHE A 7 4.327 -1.211 -18.772 1.00 0.00 C ATOM 105 CD2 PHE A 7 4.310 -0.465 -16.507 1.00 0.00 C ATOM 106 CE1 PHE A 7 2.975 -0.946 -18.873 1.00 0.00 C ATOM 107 CE2 PHE A 7 2.957 -0.198 -16.602 1.00 0.00 C ATOM 108 CZ PHE A 7 2.289 -0.439 -17.786 1.00 0.00 C ATOM 0 H PHE A 7 6.624 -3.772 -16.400 1.00 0.00 H new ATOM 0 HA PHE A 7 6.506 -2.637 -19.135 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.766 -1.265 -16.431 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.036 -0.456 -17.962 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.858 -1.608 -19.625 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.828 -0.275 -15.578 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.455 -1.135 -19.800 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.423 0.199 -15.751 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.232 -0.232 -17.862 1.00 0.00 H new ATOM 118 N ALA A 8 9.036 -1.813 -18.924 1.00 0.00 N ATOM 119 CA ALA A 8 10.487 -1.807 -19.056 1.00 0.00 C ATOM 120 C ALA A 8 11.045 -0.394 -18.918 1.00 0.00 C ATOM 121 O ALA A 8 12.061 -0.056 -19.524 1.00 0.00 O ATOM 122 CB ALA A 8 10.899 -2.411 -20.390 1.00 0.00 C ATOM 0 H ALA A 8 8.561 -1.086 -19.459 1.00 0.00 H new ATOM 0 HA ALA A 8 10.902 -2.414 -18.252 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.986 -2.400 -20.474 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.541 -3.439 -20.450 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.466 -1.828 -21.203 1.00 0.00 H new ATOM 128 N ASN A 9 10.373 0.427 -18.118 1.00 0.00 N ATOM 129 CA ASN A 9 10.801 1.804 -17.902 1.00 0.00 C ATOM 130 C ASN A 9 10.243 2.349 -16.591 1.00 0.00 C ATOM 131 O ASN A 9 9.121 2.040 -16.189 1.00 0.00 O ATOM 132 CB ASN A 9 10.352 2.689 -19.067 1.00 0.00 C ATOM 133 CG ASN A 9 11.506 3.103 -19.958 1.00 0.00 C ATOM 134 OD1 ASN A 9 12.648 3.204 -19.508 1.00 0.00 O ATOM 135 ND2 ASN A 9 11.214 3.345 -21.231 1.00 0.00 N ATOM 0 H ASN A 9 9.530 0.163 -17.609 1.00 0.00 H new ATOM 0 HA ASN A 9 11.889 1.814 -17.845 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.612 2.154 -19.662 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.862 3.580 -18.675 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.950 3.627 -21.878 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.254 3.249 -21.561 1.00 0.00 H new ATOM 142 N PRO A 10 11.044 3.180 -15.907 1.00 0.00 N ATOM 143 CA PRO A 10 10.651 3.786 -14.631 1.00 0.00 C ATOM 144 C PRO A 10 9.550 4.827 -14.799 1.00 0.00 C ATOM 145 O PRO A 10 8.550 4.809 -14.080 1.00 0.00 O ATOM 146 CB PRO A 10 11.942 4.446 -14.140 1.00 0.00 C ATOM 147 CG PRO A 10 12.727 4.710 -15.378 1.00 0.00 C ATOM 148 CD PRO A 10 12.394 3.592 -16.326 1.00 0.00 C ATOM 0 HA PRO A 10 10.242 3.050 -13.938 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.734 5.369 -13.599 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.486 3.793 -13.458 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.465 5.677 -15.808 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.796 4.735 -15.164 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.408 3.927 -17.363 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.107 2.772 -16.246 1.00 0.00 H new ATOM 156 N ARG A 11 9.739 5.734 -15.752 1.00 0.00 N ATOM 157 CA ARG A 11 8.762 6.783 -16.013 1.00 0.00 C ATOM 158 C ARG A 11 7.364 6.195 -16.179 1.00 0.00 C ATOM 159 O ARG A 11 6.415 6.627 -15.523 1.00 0.00 O ATOM 160 CB ARG A 11 9.148 7.569 -17.267 1.00 0.00 C ATOM 161 CG ARG A 11 8.186 8.697 -17.600 1.00 0.00 C ATOM 162 CD ARG A 11 7.992 9.632 -16.416 1.00 0.00 C ATOM 163 NE ARG A 11 7.822 11.020 -16.837 1.00 0.00 N ATOM 164 CZ ARG A 11 7.285 11.960 -16.068 1.00 0.00 C ATOM 165 NH1 ARG A 11 6.868 11.663 -14.845 1.00 0.00 N ATOM 166 NH2 ARG A 11 7.164 13.201 -16.521 1.00 0.00 N ATOM 0 H ARG A 11 10.560 5.763 -16.356 1.00 0.00 H new ATOM 0 HA ARG A 11 8.754 7.458 -15.157 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.147 7.983 -17.132 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.198 6.884 -18.113 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.566 9.261 -18.452 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.224 8.280 -17.897 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.119 9.317 -15.845 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.852 9.558 -15.751 1.00 0.00 H new ATOM 0 HE ARG A 11 8.133 11.282 -17.773 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.959 10.710 -14.492 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.456 12.387 -14.257 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.484 13.434 -17.461 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.751 13.922 -15.929 1.00 0.00 H new ATOM 180 N VAL A 12 7.243 5.208 -17.060 1.00 0.00 N ATOM 181 CA VAL A 12 5.962 4.560 -17.312 1.00 0.00 C ATOM 182 C VAL A 12 5.431 3.884 -16.053 1.00 0.00 C ATOM 183 O VAL A 12 4.316 4.160 -15.611 1.00 0.00 O ATOM 184 CB VAL A 12 6.074 3.512 -18.436 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.742 2.808 -18.645 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.550 4.163 -19.725 1.00 0.00 C ATOM 0 H VAL A 12 8.017 4.839 -17.612 1.00 0.00 H new ATOM 0 HA VAL A 12 5.268 5.341 -17.622 1.00 0.00 H new ATOM 0 HB VAL A 12 6.810 2.764 -18.140 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.841 2.072 -19.443 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.447 2.307 -17.723 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.983 3.540 -18.919 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.623 3.408 -20.508 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.840 4.932 -20.028 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.528 4.616 -19.564 1.00 0.00 H new ATOM 196 N ALA A 13 6.237 2.996 -15.480 1.00 0.00 N ATOM 197 CA ALA A 13 5.849 2.282 -14.270 1.00 0.00 C ATOM 198 C ALA A 13 5.308 3.242 -13.215 1.00 0.00 C ATOM 199 O ALA A 13 4.149 3.147 -12.813 1.00 0.00 O ATOM 200 CB ALA A 13 7.031 1.500 -13.717 1.00 0.00 C ATOM 0 H ALA A 13 7.162 2.754 -15.834 1.00 0.00 H new ATOM 0 HA ALA A 13 5.054 1.583 -14.530 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.727 0.972 -12.813 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.371 0.780 -14.461 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.843 2.187 -13.480 1.00 0.00 H new ATOM 206 N GLN A 14 6.156 4.166 -12.772 1.00 0.00 N ATOM 207 CA GLN A 14 5.761 5.142 -11.763 1.00 0.00 C ATOM 208 C GLN A 14 4.515 5.904 -12.201 1.00 0.00 C ATOM 209 O GLN A 14 3.548 6.015 -11.449 1.00 0.00 O ATOM 210 CB GLN A 14 6.906 6.121 -11.496 1.00 0.00 C ATOM 211 CG GLN A 14 6.507 7.299 -10.621 1.00 0.00 C ATOM 212 CD GLN A 14 5.985 6.867 -9.265 1.00 0.00 C ATOM 213 OE1 GLN A 14 6.190 5.730 -8.841 1.00 0.00 O ATOM 214 NE2 GLN A 14 5.304 7.776 -8.576 1.00 0.00 N ATOM 0 H GLN A 14 7.119 4.259 -13.095 1.00 0.00 H new ATOM 0 HA GLN A 14 5.530 4.604 -10.843 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.727 5.586 -11.019 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.281 6.497 -12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.368 7.953 -10.483 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.742 7.883 -11.132 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.158 8.707 -8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.928 7.543 -7.657 1.00 0.00 H new ATOM 223 N ALA A 15 4.547 6.429 -13.421 1.00 0.00 N ATOM 224 CA ALA A 15 3.419 7.180 -13.960 1.00 0.00 C ATOM 225 C ALA A 15 2.120 6.394 -13.820 1.00 0.00 C ATOM 226 O ALA A 15 1.109 6.924 -13.359 1.00 0.00 O ATOM 227 CB ALA A 15 3.670 7.535 -15.418 1.00 0.00 C ATOM 0 H ALA A 15 5.342 6.348 -14.055 1.00 0.00 H new ATOM 0 HA ALA A 15 3.319 8.101 -13.386 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.820 8.095 -15.808 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.571 8.143 -15.494 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.799 6.621 -15.998 1.00 0.00 H new ATOM 233 N PHE A 16 2.154 5.128 -14.222 1.00 0.00 N ATOM 234 CA PHE A 16 0.978 4.269 -14.144 1.00 0.00 C ATOM 235 C PHE A 16 0.470 4.171 -12.708 1.00 0.00 C ATOM 236 O PHE A 16 -0.653 4.574 -12.406 1.00 0.00 O ATOM 237 CB PHE A 16 1.303 2.872 -14.677 1.00 0.00 C ATOM 238 CG PHE A 16 0.909 2.672 -16.113 1.00 0.00 C ATOM 239 CD1 PHE A 16 -0.406 2.397 -16.453 1.00 0.00 C ATOM 240 CD2 PHE A 16 1.854 2.759 -17.123 1.00 0.00 C ATOM 241 CE1 PHE A 16 -0.772 2.213 -17.773 1.00 0.00 C ATOM 242 CE2 PHE A 16 1.494 2.576 -18.445 1.00 0.00 C ATOM 243 CZ PHE A 16 0.180 2.302 -18.770 1.00 0.00 C ATOM 0 H PHE A 16 2.983 4.674 -14.605 1.00 0.00 H new ATOM 0 HA PHE A 16 0.195 4.712 -14.759 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.373 2.692 -14.574 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.794 2.130 -14.062 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.154 2.326 -15.677 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.883 2.972 -16.874 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.800 2.000 -18.025 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.240 2.647 -19.223 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.103 2.158 -19.802 1.00 0.00 H new ATOM 253 N VAL A 17 1.307 3.633 -11.826 1.00 0.00 N ATOM 254 CA VAL A 17 0.945 3.482 -10.422 1.00 0.00 C ATOM 255 C VAL A 17 0.558 4.823 -9.807 1.00 0.00 C ATOM 256 O VAL A 17 -0.171 4.876 -8.816 1.00 0.00 O ATOM 257 CB VAL A 17 2.100 2.871 -9.607 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.468 1.498 -10.149 1.00 0.00 C ATOM 259 CG2 VAL A 17 3.306 3.797 -9.615 1.00 0.00 C ATOM 0 H VAL A 17 2.240 3.295 -12.059 1.00 0.00 H new ATOM 0 HA VAL A 17 0.089 2.808 -10.387 1.00 0.00 H new ATOM 0 HB VAL A 17 1.770 2.751 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.286 1.082 -9.561 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.603 0.838 -10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.779 1.589 -11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.112 3.349 -9.034 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.640 3.951 -10.641 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.031 4.756 -9.175 1.00 0.00 H new ATOM 269 N ASP A 18 1.050 5.904 -10.402 1.00 0.00 N ATOM 270 CA ASP A 18 0.754 7.246 -9.914 1.00 0.00 C ATOM 271 C ASP A 18 -0.709 7.603 -10.158 1.00 0.00 C ATOM 272 O ASP A 18 -1.453 7.888 -9.220 1.00 0.00 O ATOM 273 CB ASP A 18 1.663 8.271 -10.596 1.00 0.00 C ATOM 274 CG ASP A 18 1.594 9.634 -9.936 1.00 0.00 C ATOM 275 OD1 ASP A 18 1.506 9.687 -8.692 1.00 0.00 O ATOM 276 OD2 ASP A 18 1.628 10.648 -10.664 1.00 0.00 O ATOM 0 H ASP A 18 1.655 5.877 -11.223 1.00 0.00 H new ATOM 0 HA ASP A 18 0.939 7.265 -8.840 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.692 7.911 -10.574 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.380 8.363 -11.644 1.00 0.00 H new ATOM 281 N TYR A 19 -1.113 7.586 -11.423 1.00 0.00 N ATOM 282 CA TYR A 19 -2.486 7.912 -11.791 1.00 0.00 C ATOM 283 C TYR A 19 -3.463 6.900 -11.199 1.00 0.00 C ATOM 284 O TYR A 19 -4.646 7.192 -11.024 1.00 0.00 O ATOM 285 CB TYR A 19 -2.634 7.950 -13.313 1.00 0.00 C ATOM 286 CG TYR A 19 -3.254 6.699 -13.892 1.00 0.00 C ATOM 287 CD1 TYR A 19 -4.626 6.488 -13.831 1.00 0.00 C ATOM 288 CD2 TYR A 19 -2.469 5.727 -14.501 1.00 0.00 C ATOM 289 CE1 TYR A 19 -5.198 5.346 -14.358 1.00 0.00 C ATOM 290 CE2 TYR A 19 -3.032 4.583 -15.032 1.00 0.00 C ATOM 291 CZ TYR A 19 -4.397 4.397 -14.958 1.00 0.00 C ATOM 292 OH TYR A 19 -4.961 3.258 -15.485 1.00 0.00 O ATOM 0 H TYR A 19 -0.510 7.350 -12.211 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.720 8.897 -11.386 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.245 8.809 -13.589 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.652 8.100 -13.762 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.256 7.230 -13.363 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.400 5.869 -14.560 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.266 5.197 -14.300 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.407 3.838 -15.502 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.884 2.526 -14.838 1.00 0.00 H new ATOM 302 N MET A 20 -2.958 5.710 -10.893 1.00 0.00 N ATOM 303 CA MET A 20 -3.785 4.654 -10.319 1.00 0.00 C ATOM 304 C MET A 20 -3.982 4.871 -8.822 1.00 0.00 C ATOM 305 O MET A 20 -5.065 4.634 -8.288 1.00 0.00 O ATOM 306 CB MET A 20 -3.149 3.286 -10.568 1.00 0.00 C ATOM 307 CG MET A 20 -3.008 2.940 -12.042 1.00 0.00 C ATOM 308 SD MET A 20 -4.243 1.749 -12.596 1.00 0.00 S ATOM 309 CE MET A 20 -5.754 2.667 -12.305 1.00 0.00 C ATOM 0 H MET A 20 -1.981 5.452 -11.033 1.00 0.00 H new ATOM 0 HA MET A 20 -4.760 4.687 -10.805 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.164 3.262 -10.102 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.751 2.520 -10.079 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.095 3.850 -12.635 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.012 2.536 -12.223 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.468 2.454 -13.100 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.180 2.372 -11.346 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.534 3.735 -12.292 1.00 0.00 H new ATOM 319 N ALA A 21 -2.928 5.324 -8.150 1.00 0.00 N ATOM 320 CA ALA A 21 -2.986 5.574 -6.716 1.00 0.00 C ATOM 321 C ALA A 21 -3.886 6.764 -6.402 1.00 0.00 C ATOM 322 O ALA A 21 -4.685 6.722 -5.466 1.00 0.00 O ATOM 323 CB ALA A 21 -1.587 5.808 -6.164 1.00 0.00 C ATOM 0 H ALA A 21 -2.024 5.525 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.412 4.693 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.645 5.994 -5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.972 4.927 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.141 6.671 -6.658 1.00 0.00 H new ATOM 329 N THR A 22 -3.752 7.826 -7.190 1.00 0.00 N ATOM 330 CA THR A 22 -4.552 9.029 -6.996 1.00 0.00 C ATOM 331 C THR A 22 -6.015 8.777 -7.340 1.00 0.00 C ATOM 332 O THR A 22 -6.884 9.589 -7.024 1.00 0.00 O ATOM 333 CB THR A 22 -4.028 10.197 -7.852 1.00 0.00 C ATOM 334 OG1 THR A 22 -4.724 11.402 -7.515 1.00 0.00 O ATOM 335 CG2 THR A 22 -4.202 9.902 -9.334 1.00 0.00 C ATOM 0 H THR A 22 -3.096 7.877 -7.970 1.00 0.00 H new ATOM 0 HA THR A 22 -4.470 9.296 -5.942 1.00 0.00 H new ATOM 0 HB THR A 22 -2.965 10.322 -7.645 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.591 11.178 -7.117 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.825 10.741 -9.919 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.647 9.000 -9.593 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.259 9.753 -9.554 1.00 0.00 H new ATOM 343 N GLN A 23 -6.280 7.648 -7.989 1.00 0.00 N ATOM 344 CA GLN A 23 -7.640 7.291 -8.376 1.00 0.00 C ATOM 345 C GLN A 23 -8.288 6.396 -7.325 1.00 0.00 C ATOM 346 O GLN A 23 -9.464 6.050 -7.429 1.00 0.00 O ATOM 347 CB GLN A 23 -7.637 6.584 -9.733 1.00 0.00 C ATOM 348 CG GLN A 23 -7.673 7.538 -10.916 1.00 0.00 C ATOM 349 CD GLN A 23 -8.991 8.279 -11.029 1.00 0.00 C ATOM 350 OE1 GLN A 23 -9.976 7.741 -11.536 1.00 0.00 O ATOM 351 NE2 GLN A 23 -9.016 9.519 -10.556 1.00 0.00 N ATOM 0 H GLN A 23 -5.572 6.965 -8.258 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.222 8.209 -8.453 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.746 5.961 -9.807 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.498 5.917 -9.788 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.862 8.260 -10.820 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.495 6.979 -11.834 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.176 9.925 -10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.876 10.066 -10.604 1.00 0.00 H new ATOM 360 N GLY A 24 -7.511 6.023 -6.312 1.00 0.00 N ATOM 361 CA GLY A 24 -8.027 5.172 -5.256 1.00 0.00 C ATOM 362 C GLY A 24 -7.579 3.731 -5.403 1.00 0.00 C ATOM 363 O GLY A 24 -8.118 2.836 -4.751 1.00 0.00 O ATOM 0 H GLY A 24 -6.534 6.295 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.697 5.555 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.116 5.213 -5.260 1.00 0.00 H new ATOM 367 N VAL A 25 -6.591 3.505 -6.263 1.00 0.00 N ATOM 368 CA VAL A 25 -6.071 2.162 -6.494 1.00 0.00 C ATOM 369 C VAL A 25 -4.559 2.119 -6.304 1.00 0.00 C ATOM 370 O VAL A 25 -3.808 2.693 -7.092 1.00 0.00 O ATOM 371 CB VAL A 25 -6.414 1.663 -7.910 1.00 0.00 C ATOM 372 CG1 VAL A 25 -6.152 0.170 -8.028 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.861 1.988 -8.253 1.00 0.00 C ATOM 0 H VAL A 25 -6.135 4.234 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.545 1.508 -5.762 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.771 2.178 -8.624 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.400 -0.164 -9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.100 -0.032 -7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.768 -0.366 -7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.087 1.628 -9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.523 1.502 -7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.011 3.067 -8.212 1.00 0.00 H new ATOM 383 N ILE A 26 -4.120 1.433 -5.254 1.00 0.00 N ATOM 384 CA ILE A 26 -2.697 1.313 -4.962 1.00 0.00 C ATOM 385 C ILE A 26 -2.051 0.223 -5.812 1.00 0.00 C ATOM 386 O ILE A 26 -2.582 -0.882 -5.932 1.00 0.00 O ATOM 387 CB ILE A 26 -2.452 1.000 -3.474 1.00 0.00 C ATOM 388 CG1 ILE A 26 -3.038 2.107 -2.595 1.00 0.00 C ATOM 389 CG2 ILE A 26 -0.963 0.835 -3.205 1.00 0.00 C ATOM 390 CD1 ILE A 26 -2.428 3.467 -2.849 1.00 0.00 C ATOM 0 H ILE A 26 -4.729 0.952 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.244 2.275 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.952 0.063 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.113 2.163 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.893 1.843 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.806 0.614 -2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.573 0.016 -3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.442 1.757 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.891 4.202 -2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.357 3.428 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.596 3.753 -3.887 1.00 0.00 H new ATOM 402 N LEU A 27 -0.902 0.541 -6.398 1.00 0.00 N ATOM 403 CA LEU A 27 -0.181 -0.412 -7.235 1.00 0.00 C ATOM 404 C LEU A 27 1.271 -0.540 -6.788 1.00 0.00 C ATOM 405 O LEU A 27 1.792 0.320 -6.076 1.00 0.00 O ATOM 406 CB LEU A 27 -0.240 0.022 -8.701 1.00 0.00 C ATOM 407 CG LEU A 27 -1.550 -0.268 -9.435 1.00 0.00 C ATOM 408 CD1 LEU A 27 -1.467 0.200 -10.880 1.00 0.00 C ATOM 409 CD2 LEU A 27 -1.880 -1.752 -9.371 1.00 0.00 C ATOM 0 H LEU A 27 -0.450 1.451 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.660 -1.386 -7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.049 1.094 -8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.571 -0.471 -9.238 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.351 0.283 -8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.408 -0.015 -11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.278 1.273 -10.905 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.655 -0.323 -11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.815 -1.940 -9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.078 -2.323 -9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.983 -2.057 -8.330 1.00 0.00 H new ATOM 421 N THR A 28 1.923 -1.618 -7.213 1.00 0.00 N ATOM 422 CA THR A 28 3.316 -1.858 -6.858 1.00 0.00 C ATOM 423 C THR A 28 4.166 -2.104 -8.100 1.00 0.00 C ATOM 424 O THR A 28 3.689 -2.661 -9.089 1.00 0.00 O ATOM 425 CB THR A 28 3.454 -3.063 -5.909 1.00 0.00 C ATOM 426 OG1 THR A 28 2.163 -3.466 -5.439 1.00 0.00 O ATOM 427 CG2 THR A 28 4.346 -2.720 -4.725 1.00 0.00 C ATOM 0 H THR A 28 1.508 -2.339 -7.804 1.00 0.00 H new ATOM 0 HA THR A 28 3.671 -0.962 -6.350 1.00 0.00 H new ATOM 0 HB THR A 28 3.911 -3.883 -6.462 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.649 -3.848 -6.181 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.429 -3.586 -4.069 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.337 -2.441 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.913 -1.886 -4.173 1.00 0.00 H new ATOM 435 N ILE A 29 5.425 -1.685 -8.042 1.00 0.00 N ATOM 436 CA ILE A 29 6.341 -1.862 -9.162 1.00 0.00 C ATOM 437 C ILE A 29 7.605 -2.597 -8.728 1.00 0.00 C ATOM 438 O ILE A 29 8.100 -2.398 -7.619 1.00 0.00 O ATOM 439 CB ILE A 29 6.736 -0.511 -9.786 1.00 0.00 C ATOM 440 CG1 ILE A 29 5.500 0.197 -10.347 1.00 0.00 C ATOM 441 CG2 ILE A 29 7.777 -0.714 -10.876 1.00 0.00 C ATOM 442 CD1 ILE A 29 4.866 -0.529 -11.513 1.00 0.00 C ATOM 0 H ILE A 29 5.834 -1.221 -7.231 1.00 0.00 H new ATOM 0 HA ILE A 29 5.815 -2.458 -9.908 1.00 0.00 H new ATOM 0 HB ILE A 29 7.171 0.118 -9.009 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.762 0.306 -9.553 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.779 1.202 -10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.045 0.251 -11.307 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.665 -1.180 -10.449 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.368 -1.358 -11.654 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.996 0.029 -11.860 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.589 -0.615 -12.324 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.556 -1.525 -11.196 1.00 0.00 H new ATOM 454 N GLN A 30 8.122 -3.445 -9.610 1.00 0.00 N ATOM 455 CA GLN A 30 9.330 -4.209 -9.318 1.00 0.00 C ATOM 456 C GLN A 30 10.408 -3.944 -10.364 1.00 0.00 C ATOM 457 O GLN A 30 10.334 -4.445 -11.485 1.00 0.00 O ATOM 458 CB GLN A 30 9.012 -5.704 -9.264 1.00 0.00 C ATOM 459 CG GLN A 30 8.844 -6.240 -7.851 1.00 0.00 C ATOM 460 CD GLN A 30 9.853 -7.320 -7.513 1.00 0.00 C ATOM 461 OE1 GLN A 30 10.179 -8.164 -8.347 1.00 0.00 O ATOM 462 NE2 GLN A 30 10.353 -7.298 -6.283 1.00 0.00 N ATOM 0 H GLN A 30 7.724 -3.621 -10.533 1.00 0.00 H new ATOM 0 HA GLN A 30 9.706 -3.889 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.098 -5.893 -9.826 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.811 -6.255 -9.760 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.944 -5.419 -7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.837 -6.640 -7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.054 -6.579 -5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.036 -8.000 -5.998 1.00 0.00 H new ATOM 471 N GLN A 31 11.408 -3.153 -9.988 1.00 0.00 N ATOM 472 CA GLN A 31 12.500 -2.821 -10.895 1.00 0.00 C ATOM 473 C GLN A 31 13.593 -3.883 -10.842 1.00 0.00 C ATOM 474 O GLN A 31 14.478 -3.836 -9.987 1.00 0.00 O ATOM 475 CB GLN A 31 13.085 -1.452 -10.543 1.00 0.00 C ATOM 476 CG GLN A 31 13.070 -0.467 -11.701 1.00 0.00 C ATOM 477 CD GLN A 31 14.168 0.573 -11.598 1.00 0.00 C ATOM 478 OE1 GLN A 31 14.826 0.898 -12.586 1.00 0.00 O ATOM 479 NE2 GLN A 31 14.372 1.101 -10.397 1.00 0.00 N ATOM 0 H GLN A 31 11.484 -2.731 -9.063 1.00 0.00 H new ATOM 0 HA GLN A 31 12.100 -2.788 -11.908 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.523 -1.029 -9.710 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.112 -1.582 -10.201 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.179 -1.013 -12.638 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.103 0.034 -11.734 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.803 0.802 -9.605 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.098 1.806 -10.266 1.00 0.00 H new ATOM 536 N SER A 35 23.129 -7.043 -12.292 1.00 0.00 N ATOM 537 CA SER A 35 24.245 -6.778 -13.193 1.00 0.00 C ATOM 538 C SER A 35 25.001 -8.063 -13.514 1.00 0.00 C ATOM 539 O SER A 35 25.913 -8.458 -12.788 1.00 0.00 O ATOM 540 CB SER A 35 25.197 -5.754 -12.572 1.00 0.00 C ATOM 541 OG SER A 35 24.494 -4.835 -11.754 1.00 0.00 O ATOM 0 HA SER A 35 23.842 -6.373 -14.121 1.00 0.00 H new ATOM 0 HB2 SER A 35 25.953 -6.269 -11.979 1.00 0.00 H new ATOM 0 HB3 SER A 35 25.722 -5.216 -13.361 1.00 0.00 H new ATOM 0 HG SER A 35 23.604 -5.192 -11.550 1.00 0.00 H new ATOM 547 N ASP A 36 24.615 -8.711 -14.608 1.00 0.00 N ATOM 548 CA ASP A 36 25.257 -9.952 -15.028 1.00 0.00 C ATOM 549 C ASP A 36 26.579 -9.668 -15.733 1.00 0.00 C ATOM 550 O ASP A 36 26.630 -8.902 -16.695 1.00 0.00 O ATOM 551 CB ASP A 36 24.330 -10.742 -15.953 1.00 0.00 C ATOM 552 CG ASP A 36 23.086 -11.236 -15.242 1.00 0.00 C ATOM 553 OD1 ASP A 36 22.820 -10.766 -14.116 1.00 0.00 O ATOM 554 OD2 ASP A 36 22.378 -12.093 -15.811 1.00 0.00 O ATOM 0 H ASP A 36 23.861 -8.398 -15.220 1.00 0.00 H new ATOM 0 HA ASP A 36 25.462 -10.546 -14.138 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.039 -10.113 -16.794 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.872 -11.593 -16.365 1.00 0.00 H new ATOM 559 N VAL A 37 27.649 -10.291 -15.247 1.00 0.00 N ATOM 560 CA VAL A 37 28.972 -10.106 -15.831 1.00 0.00 C ATOM 561 C VAL A 37 29.339 -11.271 -16.742 1.00 0.00 C ATOM 562 O VAL A 37 29.376 -12.423 -16.310 1.00 0.00 O ATOM 563 CB VAL A 37 30.051 -9.962 -14.741 1.00 0.00 C ATOM 564 CG1 VAL A 37 31.344 -9.427 -15.337 1.00 0.00 C ATOM 565 CG2 VAL A 37 29.558 -9.060 -13.620 1.00 0.00 C ATOM 0 H VAL A 37 27.625 -10.928 -14.451 1.00 0.00 H new ATOM 0 HA VAL A 37 28.933 -9.188 -16.418 1.00 0.00 H new ATOM 0 HB VAL A 37 30.253 -10.948 -14.321 1.00 0.00 H new ATOM 0 HG11 VAL A 37 32.094 -9.332 -14.552 1.00 0.00 H new ATOM 0 HG12 VAL A 37 31.704 -10.115 -16.102 1.00 0.00 H new ATOM 0 HG13 VAL A 37 31.161 -8.450 -15.785 1.00 0.00 H new ATOM 0 HG21 VAL A 37 30.333 -8.969 -12.859 1.00 0.00 H new ATOM 0 HG22 VAL A 37 29.327 -8.073 -14.022 1.00 0.00 H new ATOM 0 HG23 VAL A 37 28.661 -9.490 -13.175 1.00 0.00 H new ATOM 575 N TRP A 38 29.609 -10.964 -18.006 1.00 0.00 N ATOM 576 CA TRP A 38 29.974 -11.987 -18.980 1.00 0.00 C ATOM 577 C TRP A 38 31.249 -11.603 -19.721 1.00 0.00 C ATOM 578 O TRP A 38 31.493 -10.425 -19.988 1.00 0.00 O ATOM 579 CB TRP A 38 28.834 -12.200 -19.977 1.00 0.00 C ATOM 580 CG TRP A 38 27.923 -11.016 -20.100 1.00 0.00 C ATOM 581 CD1 TRP A 38 27.160 -10.463 -19.111 1.00 0.00 C ATOM 582 CD2 TRP A 38 27.677 -10.242 -21.279 1.00 0.00 C ATOM 583 NE1 TRP A 38 26.456 -9.391 -19.604 1.00 0.00 N ATOM 584 CE2 TRP A 38 26.756 -9.235 -20.931 1.00 0.00 C ATOM 585 CE3 TRP A 38 28.147 -10.300 -22.593 1.00 0.00 C ATOM 586 CZ2 TRP A 38 26.297 -8.296 -21.852 1.00 0.00 C ATOM 587 CZ3 TRP A 38 27.690 -9.369 -23.506 1.00 0.00 C ATOM 588 CH2 TRP A 38 26.774 -8.377 -23.132 1.00 0.00 C ATOM 0 H TRP A 38 29.582 -10.016 -18.380 1.00 0.00 H new ATOM 0 HA TRP A 38 30.156 -12.917 -18.442 1.00 0.00 H new ATOM 0 HB2 TRP A 38 29.255 -12.429 -20.956 1.00 0.00 H new ATOM 0 HB3 TRP A 38 28.250 -13.068 -19.671 1.00 0.00 H new ATOM 0 HD1 TRP A 38 27.117 -10.816 -18.091 1.00 0.00 H new ATOM 0 HE1 TRP A 38 25.814 -8.806 -19.069 1.00 0.00 H new ATOM 0 HE3 TRP A 38 28.855 -11.059 -22.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 25.590 -7.531 -21.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 28.045 -9.407 -24.525 1.00 0.00 H new ATOM 0 HH2 TRP A 38 26.438 -7.662 -23.868 1.00 0.00 H new ATOM 599 N LEU A 39 32.060 -12.602 -20.051 1.00 0.00 N ATOM 600 CA LEU A 39 33.312 -12.368 -20.763 1.00 0.00 C ATOM 601 C LEU A 39 33.303 -13.059 -22.123 1.00 0.00 C ATOM 602 O LEU A 39 32.619 -14.064 -22.314 1.00 0.00 O ATOM 603 CB LEU A 39 34.495 -12.867 -19.932 1.00 0.00 C ATOM 604 CG LEU A 39 35.840 -12.939 -20.655 1.00 0.00 C ATOM 605 CD1 LEU A 39 36.335 -11.544 -21.003 1.00 0.00 C ATOM 606 CD2 LEU A 39 36.865 -13.673 -19.802 1.00 0.00 C ATOM 0 H LEU A 39 31.873 -13.582 -19.837 1.00 0.00 H new ATOM 0 HA LEU A 39 33.415 -11.295 -20.923 1.00 0.00 H new ATOM 0 HB2 LEU A 39 34.605 -12.215 -19.066 1.00 0.00 H new ATOM 0 HB3 LEU A 39 34.254 -13.861 -19.554 1.00 0.00 H new ATOM 0 HG LEU A 39 35.703 -13.495 -21.582 1.00 0.00 H new ATOM 0 HD11 LEU A 39 37.294 -11.616 -21.517 1.00 0.00 H new ATOM 0 HD12 LEU A 39 35.611 -11.052 -21.653 1.00 0.00 H new ATOM 0 HD13 LEU A 39 36.456 -10.962 -20.089 1.00 0.00 H new ATOM 0 HD21 LEU A 39 37.816 -13.715 -20.332 1.00 0.00 H new ATOM 0 HD22 LEU A 39 36.998 -13.144 -18.858 1.00 0.00 H new ATOM 0 HD23 LEU A 39 36.515 -14.686 -19.604 1.00 0.00 H new ATOM 618 N ALA A 40 34.069 -12.515 -23.063 1.00 0.00 N ATOM 619 CA ALA A 40 34.152 -13.082 -24.403 1.00 0.00 C ATOM 620 C ALA A 40 35.434 -13.888 -24.579 1.00 0.00 C ATOM 621 O ALA A 40 35.478 -14.839 -25.360 1.00 0.00 O ATOM 622 CB ALA A 40 34.072 -11.979 -25.448 1.00 0.00 C ATOM 0 H ALA A 40 34.641 -11.682 -22.921 1.00 0.00 H new ATOM 0 HA ALA A 40 33.308 -13.758 -24.538 1.00 0.00 H new ATOM 0 HB1 ALA A 40 34.135 -12.416 -26.444 1.00 0.00 H new ATOM 0 HB2 ALA A 40 33.126 -11.448 -25.344 1.00 0.00 H new ATOM 0 HB3 ALA A 40 34.897 -11.282 -25.305 1.00 0.00 H new ATOM 628 N ASP A 41 36.475 -13.503 -23.849 1.00 0.00 N ATOM 629 CA ASP A 41 37.758 -14.191 -23.924 1.00 0.00 C ATOM 630 C ASP A 41 37.818 -15.342 -22.925 1.00 0.00 C ATOM 631 O ASP A 41 38.294 -15.177 -21.802 1.00 0.00 O ATOM 632 CB ASP A 41 38.903 -13.211 -23.661 1.00 0.00 C ATOM 633 CG ASP A 41 40.180 -13.607 -24.375 1.00 0.00 C ATOM 634 OD1 ASP A 41 40.349 -14.810 -24.665 1.00 0.00 O ATOM 635 OD2 ASP A 41 41.010 -12.714 -24.644 1.00 0.00 O ATOM 0 H ASP A 41 36.455 -12.718 -23.198 1.00 0.00 H new ATOM 0 HA ASP A 41 37.864 -14.600 -24.929 1.00 0.00 H new ATOM 0 HB2 ASP A 41 38.605 -12.213 -23.983 1.00 0.00 H new ATOM 0 HB3 ASP A 41 39.092 -13.157 -22.589 1.00 0.00 H new ATOM 640 N GLU A 42 37.330 -16.506 -23.341 1.00 0.00 N ATOM 641 CA GLU A 42 37.326 -17.684 -22.480 1.00 0.00 C ATOM 642 C GLU A 42 38.702 -17.909 -21.860 1.00 0.00 C ATOM 643 O GLU A 42 38.818 -18.202 -20.670 1.00 0.00 O ATOM 644 CB GLU A 42 36.903 -18.922 -23.274 1.00 0.00 C ATOM 645 CG GLU A 42 35.411 -18.986 -23.552 1.00 0.00 C ATOM 646 CD GLU A 42 35.026 -20.185 -24.396 1.00 0.00 C ATOM 647 OE1 GLU A 42 35.068 -21.318 -23.871 1.00 0.00 O ATOM 648 OE2 GLU A 42 34.683 -19.992 -25.581 1.00 0.00 O ATOM 0 H GLU A 42 36.933 -16.659 -24.268 1.00 0.00 H new ATOM 0 HA GLU A 42 36.608 -17.514 -21.677 1.00 0.00 H new ATOM 0 HB2 GLU A 42 37.442 -18.937 -24.222 1.00 0.00 H new ATOM 0 HB3 GLU A 42 37.200 -19.815 -22.724 1.00 0.00 H new ATOM 0 HG2 GLU A 42 34.870 -19.023 -22.606 1.00 0.00 H new ATOM 0 HG3 GLU A 42 35.101 -18.073 -24.061 1.00 0.00 H new ATOM 655 N SER A 43 39.742 -17.770 -22.676 1.00 0.00 N ATOM 656 CA SER A 43 41.110 -17.962 -22.210 1.00 0.00 C ATOM 657 C SER A 43 41.404 -17.073 -21.006 1.00 0.00 C ATOM 658 O SER A 43 42.148 -17.458 -20.104 1.00 0.00 O ATOM 659 CB SER A 43 42.102 -17.661 -23.335 1.00 0.00 C ATOM 660 OG SER A 43 41.583 -18.057 -24.593 1.00 0.00 O ATOM 0 H SER A 43 39.663 -17.525 -23.663 1.00 0.00 H new ATOM 0 HA SER A 43 41.221 -19.003 -21.907 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.326 -16.594 -23.350 1.00 0.00 H new ATOM 0 HB3 SER A 43 43.041 -18.182 -23.145 1.00 0.00 H new ATOM 0 HG SER A 43 42.235 -17.852 -25.295 1.00 0.00 H new ATOM 666 N GLN A 44 40.815 -15.881 -21.000 1.00 0.00 N ATOM 667 CA GLN A 44 41.013 -14.936 -19.908 1.00 0.00 C ATOM 668 C GLN A 44 39.998 -15.170 -18.794 1.00 0.00 C ATOM 669 O GLN A 44 40.144 -14.651 -17.688 1.00 0.00 O ATOM 670 CB GLN A 44 40.903 -13.500 -20.422 1.00 0.00 C ATOM 671 CG GLN A 44 42.086 -12.625 -20.041 1.00 0.00 C ATOM 672 CD GLN A 44 43.413 -13.215 -20.478 1.00 0.00 C ATOM 673 OE1 GLN A 44 44.016 -14.013 -19.760 1.00 0.00 O ATOM 674 NE2 GLN A 44 43.874 -12.825 -21.660 1.00 0.00 N ATOM 0 H GLN A 44 40.197 -15.547 -21.739 1.00 0.00 H new ATOM 0 HA GLN A 44 42.012 -15.093 -19.502 1.00 0.00 H new ATOM 0 HB2 GLN A 44 40.810 -13.518 -21.508 1.00 0.00 H new ATOM 0 HB3 GLN A 44 39.990 -13.052 -20.031 1.00 0.00 H new ATOM 0 HG2 GLN A 44 41.965 -11.640 -20.492 1.00 0.00 H new ATOM 0 HG3 GLN A 44 42.094 -12.482 -18.960 1.00 0.00 H new ATOM 0 HE21 GLN A 44 43.341 -12.161 -22.222 1.00 0.00 H new ATOM 0 HE22 GLN A 44 44.762 -13.189 -22.007 1.00 0.00 H new ATOM 683 N ALA A 45 38.968 -15.955 -19.094 1.00 0.00 N ATOM 684 CA ALA A 45 37.929 -16.259 -18.118 1.00 0.00 C ATOM 685 C ALA A 45 38.534 -16.769 -16.814 1.00 0.00 C ATOM 686 O ALA A 45 38.020 -16.489 -15.731 1.00 0.00 O ATOM 687 CB ALA A 45 36.955 -17.280 -18.685 1.00 0.00 C ATOM 0 H ALA A 45 38.831 -16.392 -20.005 1.00 0.00 H new ATOM 0 HA ALA A 45 37.387 -15.338 -17.901 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.184 -17.498 -17.945 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.490 -16.879 -19.586 1.00 0.00 H new ATOM 0 HB3 ALA A 45 37.491 -18.197 -18.931 1.00 0.00 H new ATOM 693 N GLU A 46 39.626 -17.518 -16.926 1.00 0.00 N ATOM 694 CA GLU A 46 40.298 -18.067 -15.755 1.00 0.00 C ATOM 695 C GLU A 46 40.905 -16.955 -14.904 1.00 0.00 C ATOM 696 O GLU A 46 40.683 -16.893 -13.695 1.00 0.00 O ATOM 697 CB GLU A 46 41.389 -19.052 -16.180 1.00 0.00 C ATOM 698 CG GLU A 46 40.919 -20.081 -17.195 1.00 0.00 C ATOM 699 CD GLU A 46 41.988 -21.103 -17.528 1.00 0.00 C ATOM 700 OE1 GLU A 46 42.388 -21.860 -16.618 1.00 0.00 O ATOM 701 OE2 GLU A 46 42.425 -21.147 -18.697 1.00 0.00 O ATOM 0 H GLU A 46 40.064 -17.758 -17.815 1.00 0.00 H new ATOM 0 HA GLU A 46 39.555 -18.595 -15.156 1.00 0.00 H new ATOM 0 HB2 GLU A 46 42.226 -18.495 -16.601 1.00 0.00 H new ATOM 0 HB3 GLU A 46 41.763 -19.570 -15.297 1.00 0.00 H new ATOM 0 HG2 GLU A 46 40.040 -20.594 -16.806 1.00 0.00 H new ATOM 0 HG3 GLU A 46 40.612 -19.571 -18.108 1.00 0.00 H new ATOM 708 N ARG A 47 41.672 -16.080 -15.545 1.00 0.00 N ATOM 709 CA ARG A 47 42.313 -14.971 -14.848 1.00 0.00 C ATOM 710 C ARG A 47 41.279 -14.115 -14.123 1.00 0.00 C ATOM 711 O ARG A 47 41.381 -13.888 -12.917 1.00 0.00 O ATOM 712 CB ARG A 47 43.104 -14.109 -15.834 1.00 0.00 C ATOM 713 CG ARG A 47 43.731 -12.879 -15.200 1.00 0.00 C ATOM 714 CD ARG A 47 42.920 -11.626 -15.494 1.00 0.00 C ATOM 715 NE ARG A 47 43.386 -10.479 -14.719 1.00 0.00 N ATOM 716 CZ ARG A 47 44.529 -9.846 -14.958 1.00 0.00 C ATOM 717 NH1 ARG A 47 45.319 -10.246 -15.945 1.00 0.00 N ATOM 718 NH2 ARG A 47 44.884 -8.810 -14.209 1.00 0.00 N ATOM 0 H ARG A 47 41.865 -16.117 -16.546 1.00 0.00 H new ATOM 0 HA ARG A 47 42.998 -15.387 -14.109 1.00 0.00 H new ATOM 0 HB2 ARG A 47 43.890 -14.715 -16.285 1.00 0.00 H new ATOM 0 HB3 ARG A 47 42.442 -13.794 -16.641 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.805 -13.021 -14.122 1.00 0.00 H new ATOM 0 HG3 ARG A 47 44.747 -12.753 -15.575 1.00 0.00 H new ATOM 0 HD2 ARG A 47 42.983 -11.395 -16.557 1.00 0.00 H new ATOM 0 HD3 ARG A 47 41.870 -11.813 -15.270 1.00 0.00 H new ATOM 0 HE ARG A 47 42.802 -10.146 -13.952 1.00 0.00 H new ATOM 0 HH11 ARG A 47 45.050 -11.042 -16.523 1.00 0.00 H new ATOM 0 HH12 ARG A 47 46.196 -9.758 -16.126 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.279 -8.499 -13.449 1.00 0.00 H new ATOM 0 HH22 ARG A 47 45.762 -8.325 -14.393 1.00 0.00 H new ATOM 732 N VAL A 48 40.284 -13.641 -14.866 1.00 0.00 N ATOM 733 CA VAL A 48 39.231 -12.810 -14.295 1.00 0.00 C ATOM 734 C VAL A 48 38.536 -13.522 -13.139 1.00 0.00 C ATOM 735 O VAL A 48 38.208 -12.905 -12.125 1.00 0.00 O ATOM 736 CB VAL A 48 38.180 -12.428 -15.354 1.00 0.00 C ATOM 737 CG1 VAL A 48 38.799 -11.544 -16.425 1.00 0.00 C ATOM 738 CG2 VAL A 48 37.568 -13.677 -15.970 1.00 0.00 C ATOM 0 H VAL A 48 40.185 -13.819 -15.866 1.00 0.00 H new ATOM 0 HA VAL A 48 39.709 -11.903 -13.925 1.00 0.00 H new ATOM 0 HB VAL A 48 37.385 -11.864 -14.866 1.00 0.00 H new ATOM 0 HG11 VAL A 48 38.042 -11.284 -17.165 1.00 0.00 H new ATOM 0 HG12 VAL A 48 39.186 -10.634 -15.967 1.00 0.00 H new ATOM 0 HG13 VAL A 48 39.614 -12.079 -16.913 1.00 0.00 H new ATOM 0 HG21 VAL A 48 36.827 -13.389 -16.716 1.00 0.00 H new ATOM 0 HG22 VAL A 48 38.350 -14.269 -16.445 1.00 0.00 H new ATOM 0 HG23 VAL A 48 37.087 -14.269 -15.191 1.00 0.00 H new ATOM 748 N ARG A 49 38.316 -14.822 -13.298 1.00 0.00 N ATOM 749 CA ARG A 49 37.659 -15.618 -12.268 1.00 0.00 C ATOM 750 C ARG A 49 38.418 -15.530 -10.947 1.00 0.00 C ATOM 751 O ARG A 49 37.837 -15.229 -9.905 1.00 0.00 O ATOM 752 CB ARG A 49 37.554 -17.078 -12.712 1.00 0.00 C ATOM 753 CG ARG A 49 36.234 -17.416 -13.385 1.00 0.00 C ATOM 754 CD ARG A 49 36.404 -18.511 -14.427 1.00 0.00 C ATOM 755 NE ARG A 49 35.571 -19.675 -14.140 1.00 0.00 N ATOM 756 CZ ARG A 49 34.246 -19.671 -14.235 1.00 0.00 C ATOM 757 NH1 ARG A 49 33.607 -18.571 -14.609 1.00 0.00 N ATOM 758 NH2 ARG A 49 33.556 -20.771 -13.957 1.00 0.00 N ATOM 0 H ARG A 49 38.583 -15.347 -14.131 1.00 0.00 H new ATOM 0 HA ARG A 49 36.656 -15.218 -12.119 1.00 0.00 H new ATOM 0 HB2 ARG A 49 38.370 -17.299 -13.400 1.00 0.00 H new ATOM 0 HB3 ARG A 49 37.685 -17.723 -11.844 1.00 0.00 H new ATOM 0 HG2 ARG A 49 35.513 -17.736 -12.633 1.00 0.00 H new ATOM 0 HG3 ARG A 49 35.826 -16.523 -13.858 1.00 0.00 H new ATOM 0 HD2 ARG A 49 36.150 -18.117 -15.411 1.00 0.00 H new ATOM 0 HD3 ARG A 49 37.450 -18.815 -14.466 1.00 0.00 H new ATOM 0 HE ARG A 49 36.031 -20.538 -13.851 1.00 0.00 H new ATOM 0 HH11 ARG A 49 34.133 -17.724 -14.825 1.00 0.00 H new ATOM 0 HH12 ARG A 49 32.590 -18.572 -14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 49 34.043 -21.620 -13.670 1.00 0.00 H new ATOM 0 HH22 ARG A 49 32.539 -20.767 -14.030 1.00 0.00 H new ATOM 772 N ALA A 50 39.719 -15.796 -11.000 1.00 0.00 N ATOM 773 CA ALA A 50 40.558 -15.745 -9.808 1.00 0.00 C ATOM 774 C ALA A 50 40.551 -14.351 -9.191 1.00 0.00 C ATOM 775 O ALA A 50 40.153 -14.174 -8.040 1.00 0.00 O ATOM 776 CB ALA A 50 41.980 -16.169 -10.145 1.00 0.00 C ATOM 0 H ALA A 50 40.215 -16.049 -11.855 1.00 0.00 H new ATOM 0 HA ALA A 50 40.148 -16.440 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 50 42.595 -16.126 -9.246 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.974 -17.188 -10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.391 -15.497 -10.898 1.00 0.00 H new ATOM 782 N GLU A 51 40.995 -13.365 -9.964 1.00 0.00 N ATOM 783 CA GLU A 51 41.042 -11.986 -9.491 1.00 0.00 C ATOM 784 C GLU A 51 39.689 -11.559 -8.927 1.00 0.00 C ATOM 785 O GLU A 51 39.613 -10.951 -7.859 1.00 0.00 O ATOM 786 CB GLU A 51 41.453 -11.047 -10.627 1.00 0.00 C ATOM 787 CG GLU A 51 42.777 -11.417 -11.274 1.00 0.00 C ATOM 788 CD GLU A 51 43.772 -11.985 -10.281 1.00 0.00 C ATOM 789 OE1 GLU A 51 43.981 -11.353 -9.224 1.00 0.00 O ATOM 790 OE2 GLU A 51 44.343 -13.060 -10.560 1.00 0.00 O ATOM 0 H GLU A 51 41.327 -13.495 -10.920 1.00 0.00 H new ATOM 0 HA GLU A 51 41.784 -11.927 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 51 40.673 -11.049 -11.389 1.00 0.00 H new ATOM 0 HB3 GLU A 51 41.519 -10.030 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.600 -12.147 -12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.205 -10.534 -11.747 1.00 0.00 H new ATOM 797 N LEU A 52 38.624 -11.880 -9.653 1.00 0.00 N ATOM 798 CA LEU A 52 37.274 -11.530 -9.227 1.00 0.00 C ATOM 799 C LEU A 52 36.993 -12.054 -7.822 1.00 0.00 C ATOM 800 O LEU A 52 36.591 -11.300 -6.937 1.00 0.00 O ATOM 801 CB LEU A 52 36.246 -12.093 -10.209 1.00 0.00 C ATOM 802 CG LEU A 52 34.783 -11.753 -9.919 1.00 0.00 C ATOM 803 CD1 LEU A 52 33.978 -11.717 -11.208 1.00 0.00 C ATOM 804 CD2 LEU A 52 34.186 -12.757 -8.943 1.00 0.00 C ATOM 0 H LEU A 52 38.669 -12.382 -10.540 1.00 0.00 H new ATOM 0 HA LEU A 52 37.195 -10.443 -9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 52 36.491 -11.731 -11.208 1.00 0.00 H new ATOM 0 HB3 LEU A 52 36.349 -13.178 -10.229 1.00 0.00 H new ATOM 0 HG LEU A 52 34.743 -10.764 -9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 52 32.940 -11.474 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 52 34.391 -10.960 -11.874 1.00 0.00 H new ATOM 0 HD13 LEU A 52 34.025 -12.692 -11.693 1.00 0.00 H new ATOM 0 HD21 LEU A 52 33.145 -12.500 -8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 52 34.238 -13.757 -9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 52 34.747 -12.734 -8.009 1.00 0.00 H new ATOM 816 N ALA A 53 37.209 -13.350 -7.626 1.00 0.00 N ATOM 817 CA ALA A 53 36.984 -13.974 -6.328 1.00 0.00 C ATOM 818 C ALA A 53 37.802 -13.288 -5.239 1.00 0.00 C ATOM 819 O ALA A 53 37.359 -13.173 -4.096 1.00 0.00 O ATOM 820 CB ALA A 53 37.321 -15.457 -6.389 1.00 0.00 C ATOM 0 H ALA A 53 37.540 -13.989 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 53 35.929 -13.862 -6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 53 37.148 -15.910 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 53 36.689 -15.944 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 53 38.368 -15.581 -6.666 1.00 0.00 H new ATOM 826 N ARG A 54 38.998 -12.835 -5.601 1.00 0.00 N ATOM 827 CA ARG A 54 39.878 -12.162 -4.654 1.00 0.00 C ATOM 828 C ARG A 54 39.399 -10.739 -4.383 1.00 0.00 C ATOM 829 O ARG A 54 39.690 -10.164 -3.334 1.00 0.00 O ATOM 830 CB ARG A 54 41.312 -12.136 -5.188 1.00 0.00 C ATOM 831 CG ARG A 54 42.041 -13.461 -5.038 1.00 0.00 C ATOM 832 CD ARG A 54 43.429 -13.406 -5.657 1.00 0.00 C ATOM 833 NE ARG A 54 44.141 -14.673 -5.517 1.00 0.00 N ATOM 834 CZ ARG A 54 45.442 -14.814 -5.748 1.00 0.00 C ATOM 835 NH1 ARG A 54 46.169 -13.772 -6.126 1.00 0.00 N ATOM 836 NH2 ARG A 54 46.019 -16.000 -5.599 1.00 0.00 N ATOM 0 H ARG A 54 39.379 -12.922 -6.543 1.00 0.00 H new ATOM 0 HA ARG A 54 39.856 -12.719 -3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 54 41.293 -11.858 -6.242 1.00 0.00 H new ATOM 0 HB3 ARG A 54 41.872 -11.361 -4.664 1.00 0.00 H new ATOM 0 HG2 ARG A 54 42.122 -13.715 -3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 54 41.461 -14.253 -5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 54 43.345 -13.152 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 54 44.006 -12.612 -5.183 1.00 0.00 H new ATOM 0 HE ARG A 54 43.611 -15.494 -5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 54 45.730 -12.858 -6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 54 47.167 -13.884 -6.302 1.00 0.00 H new ATOM 0 HH21 ARG A 54 45.464 -16.804 -5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 54 47.018 -16.107 -5.777 1.00 0.00 H new ATOM 850 N PHE A 55 38.664 -10.176 -5.336 1.00 0.00 N ATOM 851 CA PHE A 55 38.146 -8.819 -5.201 1.00 0.00 C ATOM 852 C PHE A 55 36.801 -8.820 -4.481 1.00 0.00 C ATOM 853 O PHE A 55 36.486 -7.896 -3.729 1.00 0.00 O ATOM 854 CB PHE A 55 37.999 -8.167 -6.578 1.00 0.00 C ATOM 855 CG PHE A 55 38.090 -6.668 -6.544 1.00 0.00 C ATOM 856 CD1 PHE A 55 39.206 -6.041 -6.014 1.00 0.00 C ATOM 857 CD2 PHE A 55 37.059 -5.887 -7.041 1.00 0.00 C ATOM 858 CE1 PHE A 55 39.293 -4.661 -5.982 1.00 0.00 C ATOM 859 CE2 PHE A 55 37.141 -4.508 -7.012 1.00 0.00 C ATOM 860 CZ PHE A 55 38.258 -3.894 -6.480 1.00 0.00 C ATOM 0 H PHE A 55 38.413 -10.638 -6.210 1.00 0.00 H new ATOM 0 HA PHE A 55 38.856 -8.243 -4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 55 38.773 -8.555 -7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 55 37.039 -8.455 -7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 55 40.017 -6.636 -5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 55 36.182 -6.361 -7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 55 40.169 -4.184 -5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 55 36.332 -3.910 -7.405 1.00 0.00 H new ATOM 0 HZ PHE A 55 38.322 -2.816 -6.453 1.00 0.00 H new ATOM 989 N MET B 1 31.257 -16.765 -25.488 1.00 0.00 N ATOM 990 CA MET B 1 30.943 -15.928 -24.336 1.00 0.00 C ATOM 991 C MET B 1 30.719 -16.779 -23.090 1.00 0.00 C ATOM 992 O MET B 1 29.842 -17.644 -23.067 1.00 0.00 O ATOM 993 CB MET B 1 29.702 -15.079 -24.618 1.00 0.00 C ATOM 994 CG MET B 1 29.893 -14.080 -25.748 1.00 0.00 C ATOM 995 SD MET B 1 29.607 -12.378 -25.226 1.00 0.00 S ATOM 996 CE MET B 1 30.814 -12.218 -23.913 1.00 0.00 C ATOM 0 H1 MET B 1 31.697 -16.184 -26.230 1.00 0.00 H new ATOM 0 H2 MET B 1 31.916 -17.517 -25.201 1.00 0.00 H new ATOM 0 H3 MET B 1 30.383 -17.192 -25.855 1.00 0.00 H new ATOM 0 HA MET B 1 31.792 -15.269 -24.156 1.00 0.00 H new ATOM 0 HB2 MET B 1 28.869 -15.738 -24.863 1.00 0.00 H new ATOM 0 HB3 MET B 1 29.426 -14.541 -23.711 1.00 0.00 H new ATOM 0 HG2 MET B 1 30.906 -14.170 -26.140 1.00 0.00 H new ATOM 0 HG3 MET B 1 29.212 -14.325 -26.563 1.00 0.00 H new ATOM 0 HE1 MET B 1 31.214 -11.204 -23.908 1.00 0.00 H new ATOM 0 HE2 MET B 1 30.339 -12.426 -22.954 1.00 0.00 H new ATOM 0 HE3 MET B 1 31.626 -12.927 -24.077 1.00 0.00 H new ATOM 1006 N LEU B 2 31.515 -16.529 -22.057 1.00 0.00 N ATOM 1007 CA LEU B 2 31.403 -17.273 -20.807 1.00 0.00 C ATOM 1008 C LEU B 2 31.082 -16.340 -19.644 1.00 0.00 C ATOM 1009 O LEU B 2 31.832 -15.406 -19.360 1.00 0.00 O ATOM 1010 CB LEU B 2 32.701 -18.031 -20.524 1.00 0.00 C ATOM 1011 CG LEU B 2 32.547 -19.408 -19.876 1.00 0.00 C ATOM 1012 CD1 LEU B 2 33.871 -20.156 -19.889 1.00 0.00 C ATOM 1013 CD2 LEU B 2 32.024 -19.271 -18.453 1.00 0.00 C ATOM 0 H LEU B 2 32.245 -15.817 -22.060 1.00 0.00 H new ATOM 0 HA LEU B 2 30.587 -17.988 -20.911 1.00 0.00 H new ATOM 0 HB2 LEU B 2 33.240 -18.152 -21.464 1.00 0.00 H new ATOM 0 HB3 LEU B 2 33.324 -17.415 -19.876 1.00 0.00 H new ATOM 0 HG LEU B 2 31.824 -19.982 -20.455 1.00 0.00 H new ATOM 0 HD11 LEU B 2 33.741 -21.133 -19.424 1.00 0.00 H new ATOM 0 HD12 LEU B 2 34.206 -20.286 -20.918 1.00 0.00 H new ATOM 0 HD13 LEU B 2 34.616 -19.586 -19.334 1.00 0.00 H new ATOM 0 HD21 LEU B 2 31.920 -20.260 -18.007 1.00 0.00 H new ATOM 0 HD22 LEU B 2 32.724 -18.678 -17.864 1.00 0.00 H new ATOM 0 HD23 LEU B 2 31.053 -18.776 -18.468 1.00 0.00 H new ATOM 1025 N MET B 3 29.964 -16.600 -18.974 1.00 0.00 N ATOM 1026 CA MET B 3 29.547 -15.784 -17.840 1.00 0.00 C ATOM 1027 C MET B 3 30.623 -15.763 -16.760 1.00 0.00 C ATOM 1028 O MET B 3 31.044 -16.812 -16.269 1.00 0.00 O ATOM 1029 CB MET B 3 28.235 -16.315 -17.259 1.00 0.00 C ATOM 1030 CG MET B 3 27.302 -15.221 -16.766 1.00 0.00 C ATOM 1031 SD MET B 3 26.271 -15.756 -15.386 1.00 0.00 S ATOM 1032 CE MET B 3 25.952 -14.191 -14.575 1.00 0.00 C ATOM 0 H MET B 3 29.331 -17.368 -19.197 1.00 0.00 H new ATOM 0 HA MET B 3 29.394 -14.765 -18.194 1.00 0.00 H new ATOM 0 HB2 MET B 3 27.722 -16.903 -18.020 1.00 0.00 H new ATOM 0 HB3 MET B 3 28.460 -16.989 -16.433 1.00 0.00 H new ATOM 0 HG2 MET B 3 27.892 -14.357 -16.460 1.00 0.00 H new ATOM 0 HG3 MET B 3 26.663 -14.897 -17.587 1.00 0.00 H new ATOM 0 HE1 MET B 3 26.395 -14.200 -13.579 1.00 0.00 H new ATOM 0 HE2 MET B 3 26.390 -13.382 -15.160 1.00 0.00 H new ATOM 0 HE3 MET B 3 24.876 -14.037 -14.492 1.00 0.00 H new ATOM 1042 N ILE B 4 31.066 -14.565 -16.394 1.00 0.00 N ATOM 1043 CA ILE B 4 32.093 -14.409 -15.372 1.00 0.00 C ATOM 1044 C ILE B 4 31.489 -14.469 -13.973 1.00 0.00 C ATOM 1045 O ILE B 4 32.011 -15.146 -13.087 1.00 0.00 O ATOM 1046 CB ILE B 4 32.852 -13.079 -15.535 1.00 0.00 C ATOM 1047 CG1 ILE B 4 33.628 -13.068 -16.854 1.00 0.00 C ATOM 1048 CG2 ILE B 4 33.792 -12.859 -14.359 1.00 0.00 C ATOM 1049 CD1 ILE B 4 34.554 -14.252 -17.020 1.00 0.00 C ATOM 0 H ILE B 4 30.729 -13.688 -16.791 1.00 0.00 H new ATOM 0 HA ILE B 4 32.793 -15.235 -15.499 1.00 0.00 H new ATOM 0 HB ILE B 4 32.128 -12.264 -15.554 1.00 0.00 H new ATOM 0 HG12 ILE B 4 32.920 -13.052 -17.683 1.00 0.00 H new ATOM 0 HG13 ILE B 4 34.211 -12.149 -16.915 1.00 0.00 H new ATOM 0 HG21 ILE B 4 34.322 -11.915 -14.488 1.00 0.00 H new ATOM 0 HG22 ILE B 4 33.216 -12.829 -13.434 1.00 0.00 H new ATOM 0 HG23 ILE B 4 34.512 -13.676 -14.311 1.00 0.00 H new ATOM 0 HD11 ILE B 4 35.071 -14.178 -17.977 1.00 0.00 H new ATOM 0 HD12 ILE B 4 35.285 -14.258 -16.212 1.00 0.00 H new ATOM 0 HD13 ILE B 4 33.974 -15.174 -16.991 1.00 0.00 H new ATOM 1061 N THR B 5 30.383 -13.755 -13.780 1.00 0.00 N ATOM 1062 CA THR B 5 29.707 -13.727 -12.490 1.00 0.00 C ATOM 1063 C THR B 5 28.416 -12.919 -12.563 1.00 0.00 C ATOM 1064 O THR B 5 28.039 -12.430 -13.627 1.00 0.00 O ATOM 1065 CB THR B 5 30.612 -13.130 -11.395 1.00 0.00 C ATOM 1066 OG1 THR B 5 30.050 -13.385 -10.102 1.00 0.00 O ATOM 1067 CG2 THR B 5 30.783 -11.632 -11.592 1.00 0.00 C ATOM 0 H THR B 5 29.937 -13.189 -14.502 1.00 0.00 H new ATOM 0 HA THR B 5 29.472 -14.760 -12.234 1.00 0.00 H new ATOM 0 HB THR B 5 31.591 -13.604 -11.465 1.00 0.00 H new ATOM 0 HG1 THR B 5 30.632 -13.004 -9.412 1.00 0.00 H new ATOM 0 HG21 THR B 5 31.426 -11.233 -10.807 1.00 0.00 H new ATOM 0 HG22 THR B 5 31.237 -11.442 -12.564 1.00 0.00 H new ATOM 0 HG23 THR B 5 29.809 -11.145 -11.546 1.00 0.00 H new ATOM 1075 N SER B 6 27.744 -12.783 -11.424 1.00 0.00 N ATOM 1076 CA SER B 6 26.493 -12.037 -11.360 1.00 0.00 C ATOM 1077 C SER B 6 26.481 -11.098 -10.158 1.00 0.00 C ATOM 1078 O SER B 6 26.726 -11.516 -9.026 1.00 0.00 O ATOM 1079 CB SER B 6 25.305 -12.997 -11.283 1.00 0.00 C ATOM 1080 OG SER B 6 25.575 -14.073 -10.400 1.00 0.00 O ATOM 0 H SER B 6 28.045 -13.180 -10.534 1.00 0.00 H new ATOM 0 HA SER B 6 26.409 -11.439 -12.267 1.00 0.00 H new ATOM 0 HB2 SER B 6 24.420 -12.459 -10.945 1.00 0.00 H new ATOM 0 HB3 SER B 6 25.082 -13.385 -12.277 1.00 0.00 H new ATOM 0 HG SER B 6 26.058 -13.739 -9.615 1.00 0.00 H new ATOM 1086 N PHE B 7 26.195 -9.825 -10.412 1.00 0.00 N ATOM 1087 CA PHE B 7 26.152 -8.825 -9.351 1.00 0.00 C ATOM 1088 C PHE B 7 24.761 -8.207 -9.242 1.00 0.00 C ATOM 1089 O PHE B 7 23.873 -8.507 -10.039 1.00 0.00 O ATOM 1090 CB PHE B 7 27.190 -7.731 -9.611 1.00 0.00 C ATOM 1091 CG PHE B 7 28.608 -8.219 -9.531 1.00 0.00 C ATOM 1092 CD1 PHE B 7 29.003 -9.078 -8.518 1.00 0.00 C ATOM 1093 CD2 PHE B 7 29.546 -7.818 -10.468 1.00 0.00 C ATOM 1094 CE1 PHE B 7 30.307 -9.528 -8.442 1.00 0.00 C ATOM 1095 CE2 PHE B 7 30.852 -8.264 -10.397 1.00 0.00 C ATOM 1096 CZ PHE B 7 31.233 -9.122 -9.383 1.00 0.00 C ATOM 0 H PHE B 7 25.990 -9.462 -11.343 1.00 0.00 H new ATOM 0 HA PHE B 7 26.385 -9.321 -8.408 1.00 0.00 H new ATOM 0 HB2 PHE B 7 27.016 -7.304 -10.599 1.00 0.00 H new ATOM 0 HB3 PHE B 7 27.049 -6.928 -8.887 1.00 0.00 H new ATOM 0 HD1 PHE B 7 28.283 -9.399 -7.780 1.00 0.00 H new ATOM 0 HD2 PHE B 7 29.253 -7.149 -11.264 1.00 0.00 H new ATOM 0 HE1 PHE B 7 30.602 -10.197 -7.647 1.00 0.00 H new ATOM 0 HE2 PHE B 7 31.574 -7.942 -11.133 1.00 0.00 H new ATOM 0 HZ PHE B 7 32.252 -9.474 -9.326 1.00 0.00 H new ATOM 1106 N ALA B 8 24.580 -7.343 -8.249 1.00 0.00 N ATOM 1107 CA ALA B 8 23.299 -6.681 -8.036 1.00 0.00 C ATOM 1108 C ALA B 8 23.490 -5.199 -7.731 1.00 0.00 C ATOM 1109 O ALA B 8 22.733 -4.612 -6.960 1.00 0.00 O ATOM 1110 CB ALA B 8 22.536 -7.360 -6.908 1.00 0.00 C ATOM 0 H ALA B 8 25.305 -7.085 -7.579 1.00 0.00 H new ATOM 0 HA ALA B 8 22.718 -6.763 -8.955 1.00 0.00 H new ATOM 0 HB1 ALA B 8 21.581 -6.856 -6.759 1.00 0.00 H new ATOM 0 HB2 ALA B 8 22.359 -8.404 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA B 8 23.121 -7.307 -5.990 1.00 0.00 H new ATOM 1116 N ASN B 9 24.509 -4.601 -8.340 1.00 0.00 N ATOM 1117 CA ASN B 9 24.800 -3.187 -8.132 1.00 0.00 C ATOM 1118 C ASN B 9 25.684 -2.643 -9.251 1.00 0.00 C ATOM 1119 O ASN B 9 26.573 -3.326 -9.761 1.00 0.00 O ATOM 1120 CB ASN B 9 25.486 -2.980 -6.780 1.00 0.00 C ATOM 1121 CG ASN B 9 24.574 -2.318 -5.765 1.00 0.00 C ATOM 1122 OD1 ASN B 9 23.674 -1.559 -6.124 1.00 0.00 O ATOM 1123 ND2 ASN B 9 24.804 -2.603 -4.488 1.00 0.00 N ATOM 0 H ASN B 9 25.147 -5.073 -8.981 1.00 0.00 H new ATOM 0 HA ASN B 9 23.856 -2.642 -8.141 1.00 0.00 H new ATOM 0 HB2 ASN B 9 25.818 -3.943 -6.393 1.00 0.00 H new ATOM 0 HB3 ASN B 9 26.377 -2.368 -6.918 1.00 0.00 H new ATOM 0 HD21 ASN B 9 24.223 -2.187 -3.760 1.00 0.00 H new ATOM 0 HD22 ASN B 9 25.561 -3.238 -4.236 1.00 0.00 H new ATOM 1130 N PRO B 10 25.434 -1.385 -9.642 1.00 0.00 N ATOM 1131 CA PRO B 10 26.197 -0.721 -10.704 1.00 0.00 C ATOM 1132 C PRO B 10 27.629 -0.410 -10.282 1.00 0.00 C ATOM 1133 O PRO B 10 28.576 -0.687 -11.017 1.00 0.00 O ATOM 1134 CB PRO B 10 25.417 0.575 -10.943 1.00 0.00 C ATOM 1135 CG PRO B 10 24.714 0.837 -9.656 1.00 0.00 C ATOM 1136 CD PRO B 10 24.390 -0.513 -9.078 1.00 0.00 C ATOM 0 HA PRO B 10 26.292 -1.348 -11.591 1.00 0.00 H new ATOM 0 HB2 PRO B 10 26.084 1.396 -11.204 1.00 0.00 H new ATOM 0 HB3 PRO B 10 24.710 0.466 -11.765 1.00 0.00 H new ATOM 0 HG2 PRO B 10 25.344 1.411 -8.977 1.00 0.00 H new ATOM 0 HG3 PRO B 10 23.807 1.420 -9.818 1.00 0.00 H new ATOM 0 HD2 PRO B 10 24.421 -0.502 -7.989 1.00 0.00 H new ATOM 0 HD3 PRO B 10 23.392 -0.844 -9.365 1.00 0.00 H new ATOM 1144 N ARG B 11 27.779 0.166 -9.094 1.00 0.00 N ATOM 1145 CA ARG B 11 29.096 0.515 -8.575 1.00 0.00 C ATOM 1146 C ARG B 11 30.042 -0.679 -8.647 1.00 0.00 C ATOM 1147 O ARG B 11 31.166 -0.566 -9.139 1.00 0.00 O ATOM 1148 CB ARG B 11 28.985 1.004 -7.129 1.00 0.00 C ATOM 1149 CG ARG B 11 28.599 2.470 -7.010 1.00 0.00 C ATOM 1150 CD ARG B 11 27.144 2.695 -7.391 1.00 0.00 C ATOM 1151 NE ARG B 11 26.544 3.790 -6.633 1.00 0.00 N ATOM 1152 CZ ARG B 11 25.446 4.433 -7.015 1.00 0.00 C ATOM 1153 NH1 ARG B 11 24.831 4.091 -8.139 1.00 0.00 N ATOM 1154 NH2 ARG B 11 24.960 5.419 -6.272 1.00 0.00 N ATOM 0 H ARG B 11 27.005 0.401 -8.473 1.00 0.00 H new ATOM 0 HA ARG B 11 29.501 1.316 -9.193 1.00 0.00 H new ATOM 0 HB2 ARG B 11 28.245 0.399 -6.605 1.00 0.00 H new ATOM 0 HB3 ARG B 11 29.939 0.846 -6.627 1.00 0.00 H new ATOM 0 HG2 ARG B 11 28.765 2.809 -5.988 1.00 0.00 H new ATOM 0 HG3 ARG B 11 29.242 3.070 -7.654 1.00 0.00 H new ATOM 0 HD2 ARG B 11 27.078 2.913 -8.457 1.00 0.00 H new ATOM 0 HD3 ARG B 11 26.578 1.780 -7.217 1.00 0.00 H new ATOM 0 HE ARG B 11 26.993 4.077 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG B 11 25.201 3.333 -8.712 1.00 0.00 H new ATOM 0 HH12 ARG B 11 23.988 4.586 -8.430 1.00 0.00 H new ATOM 0 HH21 ARG B 11 25.430 5.684 -5.406 1.00 0.00 H new ATOM 0 HH22 ARG B 11 24.117 5.912 -6.567 1.00 0.00 H new ATOM 1168 N VAL B 12 29.581 -1.824 -8.154 1.00 0.00 N ATOM 1169 CA VAL B 12 30.386 -3.040 -8.163 1.00 0.00 C ATOM 1170 C VAL B 12 30.622 -3.532 -9.587 1.00 0.00 C ATOM 1171 O VAL B 12 31.763 -3.700 -10.015 1.00 0.00 O ATOM 1172 CB VAL B 12 29.717 -4.163 -7.348 1.00 0.00 C ATOM 1173 CG1 VAL B 12 30.570 -5.422 -7.372 1.00 0.00 C ATOM 1174 CG2 VAL B 12 29.467 -3.706 -5.918 1.00 0.00 C ATOM 0 H VAL B 12 28.654 -1.935 -7.743 1.00 0.00 H new ATOM 0 HA VAL B 12 31.343 -2.789 -7.705 1.00 0.00 H new ATOM 0 HB VAL B 12 28.755 -4.396 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL B 12 30.081 -6.204 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL B 12 30.693 -5.758 -8.401 1.00 0.00 H new ATOM 0 HG13 VAL B 12 31.548 -5.207 -6.941 1.00 0.00 H new ATOM 0 HG21 VAL B 12 28.994 -4.511 -5.356 1.00 0.00 H new ATOM 0 HG22 VAL B 12 30.415 -3.444 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL B 12 28.812 -2.834 -5.924 1.00 0.00 H new ATOM 1184 N ALA B 13 29.534 -3.762 -10.315 1.00 0.00 N ATOM 1185 CA ALA B 13 29.622 -4.233 -11.692 1.00 0.00 C ATOM 1186 C ALA B 13 30.608 -3.392 -12.497 1.00 0.00 C ATOM 1187 O ALA B 13 31.583 -3.912 -13.037 1.00 0.00 O ATOM 1188 CB ALA B 13 28.249 -4.211 -12.346 1.00 0.00 C ATOM 0 H ALA B 13 28.582 -3.630 -9.974 1.00 0.00 H new ATOM 0 HA ALA B 13 29.988 -5.260 -11.677 1.00 0.00 H new ATOM 0 HB1 ALA B 13 28.330 -4.565 -13.374 1.00 0.00 H new ATOM 0 HB2 ALA B 13 27.571 -4.860 -11.791 1.00 0.00 H new ATOM 0 HB3 ALA B 13 27.861 -3.193 -12.343 1.00 0.00 H new ATOM 1194 N GLN B 14 30.344 -2.092 -12.574 1.00 0.00 N ATOM 1195 CA GLN B 14 31.208 -1.180 -13.315 1.00 0.00 C ATOM 1196 C GLN B 14 32.639 -1.240 -12.792 1.00 0.00 C ATOM 1197 O GLN B 14 33.586 -1.405 -13.561 1.00 0.00 O ATOM 1198 CB GLN B 14 30.677 0.251 -13.220 1.00 0.00 C ATOM 1199 CG GLN B 14 31.635 1.294 -13.770 1.00 0.00 C ATOM 1200 CD GLN B 14 31.986 1.054 -15.226 1.00 0.00 C ATOM 1201 OE1 GLN B 14 31.298 0.311 -15.927 1.00 0.00 O ATOM 1202 NE2 GLN B 14 33.059 1.684 -15.688 1.00 0.00 N ATOM 0 H GLN B 14 29.539 -1.646 -12.133 1.00 0.00 H new ATOM 0 HA GLN B 14 31.209 -1.490 -14.360 1.00 0.00 H new ATOM 0 HB2 GLN B 14 29.733 0.316 -13.761 1.00 0.00 H new ATOM 0 HB3 GLN B 14 30.463 0.481 -12.176 1.00 0.00 H new ATOM 0 HG2 GLN B 14 31.188 2.283 -13.666 1.00 0.00 H new ATOM 0 HG3 GLN B 14 32.548 1.293 -13.175 1.00 0.00 H new ATOM 0 HE21 GLN B 14 33.600 2.290 -15.071 1.00 0.00 H new ATOM 0 HE22 GLN B 14 33.343 1.562 -16.660 1.00 0.00 H new ATOM 1211 N ALA B 15 32.790 -1.104 -11.478 1.00 0.00 N ATOM 1212 CA ALA B 15 34.105 -1.144 -10.852 1.00 0.00 C ATOM 1213 C ALA B 15 34.881 -2.384 -11.283 1.00 0.00 C ATOM 1214 O ALA B 15 36.050 -2.298 -11.658 1.00 0.00 O ATOM 1215 CB ALA B 15 33.970 -1.104 -9.337 1.00 0.00 C ATOM 0 H ALA B 15 32.017 -0.965 -10.827 1.00 0.00 H new ATOM 0 HA ALA B 15 34.662 -0.266 -11.180 1.00 0.00 H new ATOM 0 HB1 ALA B 15 34.960 -1.135 -8.883 1.00 0.00 H new ATOM 0 HB2 ALA B 15 33.463 -0.186 -9.041 1.00 0.00 H new ATOM 0 HB3 ALA B 15 33.390 -1.963 -9.001 1.00 0.00 H new ATOM 1221 N PHE B 16 34.223 -3.538 -11.225 1.00 0.00 N ATOM 1222 CA PHE B 16 34.852 -4.796 -11.608 1.00 0.00 C ATOM 1223 C PHE B 16 35.360 -4.735 -13.045 1.00 0.00 C ATOM 1224 O PHE B 16 36.557 -4.875 -13.299 1.00 0.00 O ATOM 1225 CB PHE B 16 33.862 -5.953 -11.454 1.00 0.00 C ATOM 1226 CG PHE B 16 34.011 -6.701 -10.160 1.00 0.00 C ATOM 1227 CD1 PHE B 16 35.014 -7.644 -10.002 1.00 0.00 C ATOM 1228 CD2 PHE B 16 33.148 -6.462 -9.103 1.00 0.00 C ATOM 1229 CE1 PHE B 16 35.154 -8.335 -8.813 1.00 0.00 C ATOM 1230 CE2 PHE B 16 33.284 -7.149 -7.911 1.00 0.00 C ATOM 1231 CZ PHE B 16 34.287 -8.087 -7.766 1.00 0.00 C ATOM 0 H PHE B 16 33.255 -3.627 -10.916 1.00 0.00 H new ATOM 0 HA PHE B 16 35.703 -4.964 -10.947 1.00 0.00 H new ATOM 0 HB2 PHE B 16 32.846 -5.563 -11.524 1.00 0.00 H new ATOM 0 HB3 PHE B 16 33.995 -6.648 -12.283 1.00 0.00 H new ATOM 0 HD1 PHE B 16 35.694 -7.841 -10.817 1.00 0.00 H new ATOM 0 HD2 PHE B 16 32.360 -5.731 -9.211 1.00 0.00 H new ATOM 0 HE1 PHE B 16 35.940 -9.068 -8.703 1.00 0.00 H new ATOM 0 HE2 PHE B 16 32.606 -6.952 -7.094 1.00 0.00 H new ATOM 0 HZ PHE B 16 34.394 -8.626 -6.836 1.00 0.00 H new ATOM 1241 N VAL B 17 34.442 -4.526 -13.983 1.00 0.00 N ATOM 1242 CA VAL B 17 34.796 -4.446 -15.395 1.00 0.00 C ATOM 1243 C VAL B 17 35.798 -3.324 -15.648 1.00 0.00 C ATOM 1244 O VAL B 17 36.531 -3.344 -16.637 1.00 0.00 O ATOM 1245 CB VAL B 17 33.552 -4.216 -16.274 1.00 0.00 C ATOM 1246 CG1 VAL B 17 32.548 -5.342 -16.082 1.00 0.00 C ATOM 1247 CG2 VAL B 17 32.921 -2.868 -15.960 1.00 0.00 C ATOM 0 H VAL B 17 33.447 -4.409 -13.790 1.00 0.00 H new ATOM 0 HA VAL B 17 35.249 -5.401 -15.662 1.00 0.00 H new ATOM 0 HB VAL B 17 33.861 -4.212 -17.319 1.00 0.00 H new ATOM 0 HG11 VAL B 17 31.676 -5.163 -16.711 1.00 0.00 H new ATOM 0 HG12 VAL B 17 33.007 -6.290 -16.360 1.00 0.00 H new ATOM 0 HG13 VAL B 17 32.240 -5.381 -15.037 1.00 0.00 H new ATOM 0 HG21 VAL B 17 32.043 -2.721 -16.590 1.00 0.00 H new ATOM 0 HG22 VAL B 17 32.624 -2.841 -14.912 1.00 0.00 H new ATOM 0 HG23 VAL B 17 33.643 -2.074 -16.153 1.00 0.00 H new ATOM 1257 N ASP B 18 35.824 -2.348 -14.747 1.00 0.00 N ATOM 1258 CA ASP B 18 36.737 -1.218 -14.871 1.00 0.00 C ATOM 1259 C ASP B 18 38.180 -1.659 -14.650 1.00 0.00 C ATOM 1260 O ASP B 18 39.026 -1.517 -15.534 1.00 0.00 O ATOM 1261 CB ASP B 18 36.366 -0.123 -13.870 1.00 0.00 C ATOM 1262 CG ASP B 18 37.081 1.184 -14.149 1.00 0.00 C ATOM 1263 OD1 ASP B 18 37.262 1.518 -15.339 1.00 0.00 O ATOM 1264 OD2 ASP B 18 37.460 1.873 -13.179 1.00 0.00 O ATOM 0 H ASP B 18 35.223 -2.317 -13.923 1.00 0.00 H new ATOM 0 HA ASP B 18 36.648 -0.820 -15.882 1.00 0.00 H new ATOM 0 HB2 ASP B 18 35.289 0.042 -13.899 1.00 0.00 H new ATOM 0 HB3 ASP B 18 36.610 -0.459 -12.862 1.00 0.00 H new ATOM 1269 N TYR B 19 38.456 -2.192 -13.465 1.00 0.00 N ATOM 1270 CA TYR B 19 39.798 -2.650 -13.127 1.00 0.00 C ATOM 1271 C TYR B 19 40.221 -3.809 -14.025 1.00 0.00 C ATOM 1272 O TYR B 19 41.411 -4.061 -14.212 1.00 0.00 O ATOM 1273 CB TYR B 19 39.858 -3.079 -11.660 1.00 0.00 C ATOM 1274 CG TYR B 19 39.724 -4.572 -11.459 1.00 0.00 C ATOM 1275 CD1 TYR B 19 40.817 -5.415 -11.615 1.00 0.00 C ATOM 1276 CD2 TYR B 19 38.503 -5.139 -11.112 1.00 0.00 C ATOM 1277 CE1 TYR B 19 40.698 -6.779 -11.434 1.00 0.00 C ATOM 1278 CE2 TYR B 19 38.376 -6.502 -10.928 1.00 0.00 C ATOM 1279 CZ TYR B 19 39.476 -7.318 -11.090 1.00 0.00 C ATOM 1280 OH TYR B 19 39.354 -8.676 -10.907 1.00 0.00 O ATOM 0 H TYR B 19 37.768 -2.317 -12.722 1.00 0.00 H new ATOM 0 HA TYR B 19 40.488 -1.821 -13.285 1.00 0.00 H new ATOM 0 HB2 TYR B 19 40.804 -2.747 -11.232 1.00 0.00 H new ATOM 0 HB3 TYR B 19 39.064 -2.574 -11.110 1.00 0.00 H new ATOM 0 HD1 TYR B 19 41.776 -4.997 -11.882 1.00 0.00 H new ATOM 0 HD2 TYR B 19 37.639 -4.503 -10.984 1.00 0.00 H new ATOM 0 HE1 TYR B 19 41.558 -7.420 -11.561 1.00 0.00 H new ATOM 0 HE2 TYR B 19 37.420 -6.927 -10.659 1.00 0.00 H new ATOM 0 HH TYR B 19 39.103 -9.099 -11.755 1.00 0.00 H new ATOM 1290 N MET B 20 39.236 -4.510 -14.578 1.00 0.00 N ATOM 1291 CA MET B 20 39.505 -5.641 -15.459 1.00 0.00 C ATOM 1292 C MET B 20 39.895 -5.163 -16.854 1.00 0.00 C ATOM 1293 O MET B 20 40.793 -5.722 -17.483 1.00 0.00 O ATOM 1294 CB MET B 20 38.279 -6.552 -15.543 1.00 0.00 C ATOM 1295 CG MET B 20 37.965 -7.270 -14.241 1.00 0.00 C ATOM 1296 SD MET B 20 38.539 -8.979 -14.234 1.00 0.00 S ATOM 1297 CE MET B 20 40.314 -8.740 -14.250 1.00 0.00 C ATOM 0 H MET B 20 38.246 -4.315 -14.432 1.00 0.00 H new ATOM 0 HA MET B 20 40.339 -6.205 -15.041 1.00 0.00 H new ATOM 0 HB2 MET B 20 37.414 -5.957 -15.838 1.00 0.00 H new ATOM 0 HB3 MET B 20 38.440 -7.292 -16.327 1.00 0.00 H new ATOM 0 HG2 MET B 20 38.428 -6.732 -13.413 1.00 0.00 H new ATOM 0 HG3 MET B 20 36.888 -7.252 -14.071 1.00 0.00 H new ATOM 0 HE1 MET B 20 40.789 -9.500 -13.630 1.00 0.00 H new ATOM 0 HE2 MET B 20 40.683 -8.822 -15.272 1.00 0.00 H new ATOM 0 HE3 MET B 20 40.552 -7.751 -13.857 1.00 0.00 H new ATOM 1307 N ALA B 21 39.214 -4.127 -17.332 1.00 0.00 N ATOM 1308 CA ALA B 21 39.491 -3.573 -18.651 1.00 0.00 C ATOM 1309 C ALA B 21 40.868 -2.919 -18.695 1.00 0.00 C ATOM 1310 O ALA B 21 41.608 -3.068 -19.668 1.00 0.00 O ATOM 1311 CB ALA B 21 38.415 -2.570 -19.039 1.00 0.00 C ATOM 0 H ALA B 21 38.466 -3.654 -16.825 1.00 0.00 H new ATOM 0 HA ALA B 21 39.485 -4.392 -19.370 1.00 0.00 H new ATOM 0 HB1 ALA B 21 38.635 -2.164 -20.026 1.00 0.00 H new ATOM 0 HB2 ALA B 21 37.445 -3.066 -19.058 1.00 0.00 H new ATOM 0 HB3 ALA B 21 38.393 -1.760 -18.310 1.00 0.00 H new ATOM 1317 N THR B 22 41.207 -2.193 -17.634 1.00 0.00 N ATOM 1318 CA THR B 22 42.494 -1.514 -17.552 1.00 0.00 C ATOM 1319 C THR B 22 43.627 -2.510 -17.327 1.00 0.00 C ATOM 1320 O THR B 22 44.801 -2.167 -17.463 1.00 0.00 O ATOM 1321 CB THR B 22 42.509 -0.473 -16.417 1.00 0.00 C ATOM 1322 OG1 THR B 22 43.722 0.285 -16.463 1.00 0.00 O ATOM 1323 CG2 THR B 22 42.378 -1.149 -15.060 1.00 0.00 C ATOM 0 H THR B 22 40.608 -2.060 -16.819 1.00 0.00 H new ATOM 0 HA THR B 22 42.644 -1.005 -18.504 1.00 0.00 H new ATOM 0 HB THR B 22 41.659 0.195 -16.556 1.00 0.00 H new ATOM 0 HG1 THR B 22 44.437 -0.265 -16.846 1.00 0.00 H new ATOM 0 HG21 THR B 22 42.391 -0.394 -14.274 1.00 0.00 H new ATOM 0 HG22 THR B 22 41.439 -1.701 -15.017 1.00 0.00 H new ATOM 0 HG23 THR B 22 43.210 -1.838 -14.915 1.00 0.00 H new ATOM 1331 N GLN B 23 43.266 -3.742 -16.984 1.00 0.00 N ATOM 1332 CA GLN B 23 44.254 -4.787 -16.741 1.00 0.00 C ATOM 1333 C GLN B 23 44.527 -5.584 -18.012 1.00 0.00 C ATOM 1334 O GLN B 23 45.389 -6.461 -18.034 1.00 0.00 O ATOM 1335 CB GLN B 23 43.775 -5.723 -15.630 1.00 0.00 C ATOM 1336 CG GLN B 23 44.081 -5.213 -14.231 1.00 0.00 C ATOM 1337 CD GLN B 23 45.565 -5.217 -13.920 1.00 0.00 C ATOM 1338 OE1 GLN B 23 46.134 -6.250 -13.566 1.00 0.00 O ATOM 1339 NE2 GLN B 23 46.200 -4.058 -14.052 1.00 0.00 N ATOM 0 H GLN B 23 42.298 -4.041 -16.868 1.00 0.00 H new ATOM 0 HA GLN B 23 45.182 -4.309 -16.428 1.00 0.00 H new ATOM 0 HB2 GLN B 23 42.699 -5.868 -15.727 1.00 0.00 H new ATOM 0 HB3 GLN B 23 44.242 -6.699 -15.762 1.00 0.00 H new ATOM 0 HG2 GLN B 23 43.694 -4.199 -14.125 1.00 0.00 H new ATOM 0 HG3 GLN B 23 43.559 -5.831 -13.501 1.00 0.00 H new ATOM 0 HE21 GLN B 23 45.688 -3.227 -14.348 1.00 0.00 H new ATOM 0 HE22 GLN B 23 47.200 -3.999 -13.857 1.00 0.00 H new ATOM 1348 N GLY B 24 43.784 -5.274 -19.071 1.00 0.00 N ATOM 1349 CA GLY B 24 43.961 -5.971 -20.331 1.00 0.00 C ATOM 1350 C GLY B 24 42.883 -7.009 -20.575 1.00 0.00 C ATOM 1351 O GLY B 24 43.014 -7.853 -21.462 1.00 0.00 O ATOM 0 H GLY B 24 43.063 -4.553 -19.078 1.00 0.00 H new ATOM 0 HA2 GLY B 24 43.956 -5.248 -21.147 1.00 0.00 H new ATOM 0 HA3 GLY B 24 44.937 -6.456 -20.341 1.00 0.00 H new ATOM 1355 N VAL B 25 41.816 -6.949 -19.786 1.00 0.00 N ATOM 1356 CA VAL B 25 40.711 -7.891 -19.920 1.00 0.00 C ATOM 1357 C VAL B 25 39.378 -7.161 -20.041 1.00 0.00 C ATOM 1358 O VAL B 25 38.921 -6.521 -19.093 1.00 0.00 O ATOM 1359 CB VAL B 25 40.649 -8.857 -18.722 1.00 0.00 C ATOM 1360 CG1 VAL B 25 39.718 -10.022 -19.022 1.00 0.00 C ATOM 1361 CG2 VAL B 25 42.041 -9.354 -18.366 1.00 0.00 C ATOM 0 H VAL B 25 41.693 -6.257 -19.046 1.00 0.00 H new ATOM 0 HA VAL B 25 40.891 -8.464 -20.830 1.00 0.00 H new ATOM 0 HB VAL B 25 40.250 -8.317 -17.863 1.00 0.00 H new ATOM 0 HG11 VAL B 25 39.687 -10.694 -18.164 1.00 0.00 H new ATOM 0 HG12 VAL B 25 38.716 -9.644 -19.223 1.00 0.00 H new ATOM 0 HG13 VAL B 25 40.083 -10.564 -19.894 1.00 0.00 H new ATOM 0 HG21 VAL B 25 41.978 -10.035 -17.518 1.00 0.00 H new ATOM 0 HG22 VAL B 25 42.470 -9.877 -19.221 1.00 0.00 H new ATOM 0 HG23 VAL B 25 42.674 -8.506 -18.104 1.00 0.00 H new ATOM 1371 N ILE B 26 38.759 -7.263 -21.212 1.00 0.00 N ATOM 1372 CA ILE B 26 37.477 -6.613 -21.456 1.00 0.00 C ATOM 1373 C ILE B 26 36.326 -7.437 -20.886 1.00 0.00 C ATOM 1374 O ILE B 26 36.262 -8.651 -21.080 1.00 0.00 O ATOM 1375 CB ILE B 26 37.236 -6.389 -22.960 1.00 0.00 C ATOM 1376 CG1 ILE B 26 38.353 -5.529 -23.555 1.00 0.00 C ATOM 1377 CG2 ILE B 26 35.880 -5.739 -23.189 1.00 0.00 C ATOM 1378 CD1 ILE B 26 38.478 -4.168 -22.905 1.00 0.00 C ATOM 0 H ILE B 26 39.124 -7.789 -22.006 1.00 0.00 H new ATOM 0 HA ILE B 26 37.513 -5.646 -20.954 1.00 0.00 H new ATOM 0 HB ILE B 26 37.242 -7.357 -23.462 1.00 0.00 H new ATOM 0 HG12 ILE B 26 39.301 -6.059 -23.456 1.00 0.00 H new ATOM 0 HG13 ILE B 26 38.171 -5.398 -24.622 1.00 0.00 H new ATOM 0 HG21 ILE B 26 35.725 -5.587 -24.257 1.00 0.00 H new ATOM 0 HG22 ILE B 26 35.095 -6.386 -22.797 1.00 0.00 H new ATOM 0 HG23 ILE B 26 35.847 -4.777 -22.677 1.00 0.00 H new ATOM 0 HD11 ILE B 26 39.289 -3.613 -23.376 1.00 0.00 H new ATOM 0 HD12 ILE B 26 37.544 -3.619 -23.027 1.00 0.00 H new ATOM 0 HD13 ILE B 26 38.691 -4.290 -21.843 1.00 0.00 H new ATOM 1390 N LEU B 27 35.419 -6.768 -20.184 1.00 0.00 N ATOM 1391 CA LEU B 27 34.268 -7.437 -19.586 1.00 0.00 C ATOM 1392 C LEU B 27 32.969 -6.738 -19.976 1.00 0.00 C ATOM 1393 O LEU B 27 32.976 -5.584 -20.406 1.00 0.00 O ATOM 1394 CB LEU B 27 34.406 -7.469 -18.063 1.00 0.00 C ATOM 1395 CG LEU B 27 35.373 -8.511 -17.499 1.00 0.00 C ATOM 1396 CD1 LEU B 27 35.406 -8.442 -15.981 1.00 0.00 C ATOM 1397 CD2 LEU B 27 34.984 -9.907 -17.964 1.00 0.00 C ATOM 0 H LEU B 27 35.458 -5.763 -20.014 1.00 0.00 H new ATOM 0 HA LEU B 27 34.237 -8.459 -19.963 1.00 0.00 H new ATOM 0 HB2 LEU B 27 34.728 -6.484 -17.727 1.00 0.00 H new ATOM 0 HB3 LEU B 27 33.420 -7.646 -17.632 1.00 0.00 H new ATOM 0 HG LEU B 27 36.373 -8.291 -17.873 1.00 0.00 H new ATOM 0 HD11 LEU B 27 36.099 -9.191 -15.598 1.00 0.00 H new ATOM 0 HD12 LEU B 27 35.734 -7.450 -15.669 1.00 0.00 H new ATOM 0 HD13 LEU B 27 34.409 -8.635 -15.586 1.00 0.00 H new ATOM 0 HD21 LEU B 27 35.683 -10.635 -17.553 1.00 0.00 H new ATOM 0 HD22 LEU B 27 33.976 -10.137 -17.620 1.00 0.00 H new ATOM 0 HD23 LEU B 27 35.014 -9.949 -19.053 1.00 0.00 H new ATOM 1409 N THR B 28 31.853 -7.444 -19.820 1.00 0.00 N ATOM 1410 CA THR B 28 30.547 -6.892 -20.154 1.00 0.00 C ATOM 1411 C THR B 28 29.577 -7.030 -18.986 1.00 0.00 C ATOM 1412 O THR B 28 29.642 -7.994 -18.224 1.00 0.00 O ATOM 1413 CB THR B 28 29.944 -7.584 -21.391 1.00 0.00 C ATOM 1414 OG1 THR B 28 30.929 -8.414 -22.016 1.00 0.00 O ATOM 1415 CG2 THR B 28 29.432 -6.557 -22.390 1.00 0.00 C ATOM 0 H THR B 28 31.828 -8.400 -19.464 1.00 0.00 H new ATOM 0 HA THR B 28 30.698 -5.835 -20.375 1.00 0.00 H new ATOM 0 HB THR B 28 29.105 -8.199 -21.064 1.00 0.00 H new ATOM 0 HG1 THR B 28 31.154 -9.159 -21.421 1.00 0.00 H new ATOM 0 HG21 THR B 28 29.011 -7.069 -23.255 1.00 0.00 H new ATOM 0 HG22 THR B 28 28.662 -5.945 -21.920 1.00 0.00 H new ATOM 0 HG23 THR B 28 30.256 -5.920 -22.711 1.00 0.00 H new ATOM 1423 N ILE B 29 28.678 -6.060 -18.852 1.00 0.00 N ATOM 1424 CA ILE B 29 27.694 -6.075 -17.777 1.00 0.00 C ATOM 1425 C ILE B 29 26.277 -5.956 -18.328 1.00 0.00 C ATOM 1426 O ILE B 29 26.040 -5.254 -19.311 1.00 0.00 O ATOM 1427 CB ILE B 29 27.940 -4.934 -16.772 1.00 0.00 C ATOM 1428 CG1 ILE B 29 29.312 -5.091 -16.114 1.00 0.00 C ATOM 1429 CG2 ILE B 29 26.841 -4.909 -15.720 1.00 0.00 C ATOM 1430 CD1 ILE B 29 29.430 -6.329 -15.253 1.00 0.00 C ATOM 0 H ILE B 29 28.611 -5.255 -19.474 1.00 0.00 H new ATOM 0 HA ILE B 29 27.803 -7.030 -17.263 1.00 0.00 H new ATOM 0 HB ILE B 29 27.923 -3.986 -17.310 1.00 0.00 H new ATOM 0 HG12 ILE B 29 30.077 -5.124 -16.890 1.00 0.00 H new ATOM 0 HG13 ILE B 29 29.516 -4.212 -15.502 1.00 0.00 H new ATOM 0 HG21 ILE B 29 27.029 -4.097 -15.017 1.00 0.00 H new ATOM 0 HG22 ILE B 29 25.877 -4.754 -16.204 1.00 0.00 H new ATOM 0 HG23 ILE B 29 26.829 -5.858 -15.184 1.00 0.00 H new ATOM 0 HD11 ILE B 29 30.428 -6.376 -14.818 1.00 0.00 H new ATOM 0 HD12 ILE B 29 28.688 -6.289 -14.455 1.00 0.00 H new ATOM 0 HD13 ILE B 29 29.258 -7.215 -15.864 1.00 0.00 H new ATOM 1442 N GLN B 30 25.339 -6.645 -17.686 1.00 0.00 N ATOM 1443 CA GLN B 30 23.944 -6.615 -18.112 1.00 0.00 C ATOM 1444 C GLN B 30 23.036 -6.171 -16.970 1.00 0.00 C ATOM 1445 O GLN B 30 22.755 -6.942 -16.053 1.00 0.00 O ATOM 1446 CB GLN B 30 23.513 -7.994 -18.615 1.00 0.00 C ATOM 1447 CG GLN B 30 23.539 -8.124 -20.130 1.00 0.00 C ATOM 1448 CD GLN B 30 22.166 -8.390 -20.716 1.00 0.00 C ATOM 1449 OE1 GLN B 30 21.378 -9.155 -20.159 1.00 0.00 O ATOM 1450 NE2 GLN B 30 21.872 -7.758 -21.846 1.00 0.00 N ATOM 0 H GLN B 30 25.519 -7.230 -16.870 1.00 0.00 H new ATOM 0 HA GLN B 30 23.854 -5.895 -18.925 1.00 0.00 H new ATOM 0 HB2 GLN B 30 24.168 -8.750 -18.182 1.00 0.00 H new ATOM 0 HB3 GLN B 30 22.505 -8.203 -18.258 1.00 0.00 H new ATOM 0 HG2 GLN B 30 23.944 -7.209 -20.563 1.00 0.00 H new ATOM 0 HG3 GLN B 30 24.213 -8.934 -20.410 1.00 0.00 H new ATOM 0 HE21 GLN B 30 22.555 -7.133 -22.273 1.00 0.00 H new ATOM 0 HE22 GLN B 30 20.963 -7.898 -22.287 1.00 0.00 H new ATOM 1459 N GLN B 31 22.582 -4.924 -17.033 1.00 0.00 N ATOM 1460 CA GLN B 31 21.706 -4.377 -16.003 1.00 0.00 C ATOM 1461 C GLN B 31 20.247 -4.716 -16.294 1.00 0.00 C ATOM 1462 O GLN B 31 19.574 -4.011 -17.046 1.00 0.00 O ATOM 1463 CB GLN B 31 21.881 -2.861 -15.908 1.00 0.00 C ATOM 1464 CG GLN B 31 22.275 -2.380 -14.521 1.00 0.00 C ATOM 1465 CD GLN B 31 21.844 -0.952 -14.253 1.00 0.00 C ATOM 1466 OE1 GLN B 31 22.646 -0.117 -13.832 1.00 0.00 O ATOM 1467 NE2 GLN B 31 20.571 -0.662 -14.496 1.00 0.00 N ATOM 0 H GLN B 31 22.806 -4.273 -17.786 1.00 0.00 H new ATOM 0 HA GLN B 31 21.981 -4.827 -15.049 1.00 0.00 H new ATOM 0 HB2 GLN B 31 22.642 -2.546 -16.622 1.00 0.00 H new ATOM 0 HB3 GLN B 31 20.949 -2.377 -16.200 1.00 0.00 H new ATOM 0 HG2 GLN B 31 21.829 -3.036 -13.773 1.00 0.00 H new ATOM 0 HG3 GLN B 31 23.356 -2.456 -14.408 1.00 0.00 H new ATOM 0 HE21 GLN B 31 19.941 -1.384 -14.844 1.00 0.00 H new ATOM 0 HE22 GLN B 31 20.223 0.283 -14.334 1.00 0.00 H new ATOM 1524 N SER B 35 10.187 -3.243 -15.050 1.00 0.00 N ATOM 1525 CA SER B 35 9.273 -2.756 -14.024 1.00 0.00 C ATOM 1526 C SER B 35 7.978 -3.564 -14.022 1.00 0.00 C ATOM 1527 O SER B 35 7.044 -3.261 -14.764 1.00 0.00 O ATOM 1528 CB SER B 35 8.963 -1.275 -14.250 1.00 0.00 C ATOM 1529 OG SER B 35 10.110 -0.577 -14.701 1.00 0.00 O ATOM 0 HA SER B 35 9.757 -2.875 -13.054 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.162 -1.176 -14.982 1.00 0.00 H new ATOM 0 HB3 SER B 35 8.604 -0.830 -13.322 1.00 0.00 H new ATOM 0 HG SER B 35 10.690 -1.189 -15.201 1.00 0.00 H new ATOM 1535 N ASP B 36 7.932 -4.593 -13.184 1.00 0.00 N ATOM 1536 CA ASP B 36 6.753 -5.445 -13.083 1.00 0.00 C ATOM 1537 C ASP B 36 5.687 -4.795 -12.207 1.00 0.00 C ATOM 1538 O ASP B 36 5.954 -4.408 -11.070 1.00 0.00 O ATOM 1539 CB ASP B 36 7.133 -6.813 -12.516 1.00 0.00 C ATOM 1540 CG ASP B 36 8.027 -7.601 -13.453 1.00 0.00 C ATOM 1541 OD1 ASP B 36 8.571 -6.997 -14.401 1.00 0.00 O ATOM 1542 OD2 ASP B 36 8.182 -8.822 -13.240 1.00 0.00 O ATOM 0 H ASP B 36 8.698 -4.858 -12.564 1.00 0.00 H new ATOM 0 HA ASP B 36 6.343 -5.577 -14.084 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.641 -6.679 -11.561 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.227 -7.385 -12.317 1.00 0.00 H new ATOM 1547 N VAL B 37 4.477 -4.678 -12.745 1.00 0.00 N ATOM 1548 CA VAL B 37 3.369 -4.075 -12.013 1.00 0.00 C ATOM 1549 C VAL B 37 2.457 -5.143 -11.419 1.00 0.00 C ATOM 1550 O VAL B 37 1.936 -5.997 -12.136 1.00 0.00 O ATOM 1551 CB VAL B 37 2.536 -3.149 -12.918 1.00 0.00 C ATOM 1552 CG1 VAL B 37 1.590 -2.297 -12.085 1.00 0.00 C ATOM 1553 CG2 VAL B 37 3.446 -2.275 -13.768 1.00 0.00 C ATOM 0 H VAL B 37 4.239 -4.993 -13.686 1.00 0.00 H new ATOM 0 HA VAL B 37 3.806 -3.485 -11.207 1.00 0.00 H new ATOM 0 HB VAL B 37 1.936 -3.767 -13.586 1.00 0.00 H new ATOM 0 HG11 VAL B 37 1.010 -1.649 -12.742 1.00 0.00 H new ATOM 0 HG12 VAL B 37 0.915 -2.944 -11.525 1.00 0.00 H new ATOM 0 HG13 VAL B 37 2.167 -1.686 -11.390 1.00 0.00 H new ATOM 0 HG21 VAL B 37 2.840 -1.627 -14.401 1.00 0.00 H new ATOM 0 HG22 VAL B 37 4.074 -1.664 -13.119 1.00 0.00 H new ATOM 0 HG23 VAL B 37 4.077 -2.907 -14.393 1.00 0.00 H new ATOM 1563 N TRP B 38 2.269 -5.088 -10.105 1.00 0.00 N ATOM 1564 CA TRP B 38 1.419 -6.051 -9.414 1.00 0.00 C ATOM 1565 C TRP B 38 0.446 -5.343 -8.478 1.00 0.00 C ATOM 1566 O TRP B 38 0.783 -4.328 -7.867 1.00 0.00 O ATOM 1567 CB TRP B 38 2.274 -7.044 -8.626 1.00 0.00 C ATOM 1568 CG TRP B 38 3.633 -6.514 -8.280 1.00 0.00 C ATOM 1569 CD1 TRP B 38 4.607 -6.124 -9.154 1.00 0.00 C ATOM 1570 CD2 TRP B 38 4.167 -6.318 -6.967 1.00 0.00 C ATOM 1571 NE1 TRP B 38 5.716 -5.697 -8.463 1.00 0.00 N ATOM 1572 CE2 TRP B 38 5.471 -5.806 -7.119 1.00 0.00 C ATOM 1573 CE3 TRP B 38 3.672 -6.524 -5.676 1.00 0.00 C ATOM 1574 CZ2 TRP B 38 6.282 -5.499 -6.030 1.00 0.00 C ATOM 1575 CZ3 TRP B 38 4.478 -6.219 -4.596 1.00 0.00 C ATOM 1576 CH2 TRP B 38 5.771 -5.710 -4.778 1.00 0.00 C ATOM 0 H TRP B 38 2.693 -4.387 -9.497 1.00 0.00 H new ATOM 0 HA TRP B 38 0.843 -6.594 -10.163 1.00 0.00 H new ATOM 0 HB2 TRP B 38 1.752 -7.313 -7.708 1.00 0.00 H new ATOM 0 HB3 TRP B 38 2.386 -7.958 -9.209 1.00 0.00 H new ATOM 0 HD1 TRP B 38 4.519 -6.148 -10.230 1.00 0.00 H new ATOM 0 HE1 TRP B 38 6.581 -5.355 -8.882 1.00 0.00 H new ATOM 0 HE3 TRP B 38 2.677 -6.915 -5.525 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 7.279 -5.108 -6.168 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 4.105 -6.376 -3.595 1.00 0.00 H new ATOM 0 HH2 TRP B 38 6.376 -5.480 -3.913 1.00 0.00 H new ATOM 1587 N LEU B 39 -0.762 -5.885 -8.368 1.00 0.00 N ATOM 1588 CA LEU B 39 -1.785 -5.305 -7.505 1.00 0.00 C ATOM 1589 C LEU B 39 -2.154 -6.265 -6.378 1.00 0.00 C ATOM 1590 O LEU B 39 -2.037 -7.481 -6.522 1.00 0.00 O ATOM 1591 CB LEU B 39 -3.031 -4.955 -8.320 1.00 0.00 C ATOM 1592 CG LEU B 39 -4.264 -4.540 -7.517 1.00 0.00 C ATOM 1593 CD1 LEU B 39 -3.997 -3.249 -6.759 1.00 0.00 C ATOM 1594 CD2 LEU B 39 -5.469 -4.383 -8.433 1.00 0.00 C ATOM 0 H LEU B 39 -1.057 -6.725 -8.866 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.380 -4.394 -7.065 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -2.778 -4.145 -9.003 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -3.294 -5.818 -8.932 1.00 0.00 H new ATOM 0 HG LEU B 39 -4.483 -5.324 -6.793 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -4.886 -2.969 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.162 -3.395 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.752 -2.456 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.337 -4.087 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -5.260 -3.618 -9.181 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -5.674 -5.331 -8.931 1.00 0.00 H new ATOM 1606 N ALA B 40 -2.603 -5.709 -5.257 1.00 0.00 N ATOM 1607 CA ALA B 40 -2.993 -6.515 -4.107 1.00 0.00 C ATOM 1608 C ALA B 40 -4.509 -6.658 -4.026 1.00 0.00 C ATOM 1609 O ALA B 40 -5.022 -7.655 -3.519 1.00 0.00 O ATOM 1610 CB ALA B 40 -2.449 -5.904 -2.825 1.00 0.00 C ATOM 0 H ALA B 40 -2.706 -4.703 -5.121 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.567 -7.510 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.748 -6.517 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -1.361 -5.860 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -2.847 -4.897 -2.704 1.00 0.00 H new ATOM 1616 N ASP B 41 -5.221 -5.655 -4.528 1.00 0.00 N ATOM 1617 CA ASP B 41 -6.679 -5.668 -4.513 1.00 0.00 C ATOM 1618 C ASP B 41 -7.230 -6.285 -5.795 1.00 0.00 C ATOM 1619 O ASP B 41 -7.508 -5.579 -6.764 1.00 0.00 O ATOM 1620 CB ASP B 41 -7.222 -4.249 -4.341 1.00 0.00 C ATOM 1621 CG ASP B 41 -8.554 -4.223 -3.618 1.00 0.00 C ATOM 1622 OD1 ASP B 41 -9.271 -5.245 -3.657 1.00 0.00 O ATOM 1623 OD2 ASP B 41 -8.880 -3.180 -3.013 1.00 0.00 O ATOM 0 H ASP B 41 -4.812 -4.822 -4.951 1.00 0.00 H new ATOM 0 HA ASP B 41 -7.003 -6.277 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.499 -3.651 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -7.335 -3.785 -5.321 1.00 0.00 H new ATOM 1628 N GLU B 42 -7.384 -7.605 -5.792 1.00 0.00 N ATOM 1629 CA GLU B 42 -7.900 -8.316 -6.956 1.00 0.00 C ATOM 1630 C GLU B 42 -9.181 -7.663 -7.468 1.00 0.00 C ATOM 1631 O GLU B 42 -9.375 -7.515 -8.675 1.00 0.00 O ATOM 1632 CB GLU B 42 -8.165 -9.783 -6.610 1.00 0.00 C ATOM 1633 CG GLU B 42 -6.901 -10.584 -6.348 1.00 0.00 C ATOM 1634 CD GLU B 42 -7.191 -12.017 -5.948 1.00 0.00 C ATOM 1635 OE1 GLU B 42 -7.599 -12.807 -6.826 1.00 0.00 O ATOM 1636 OE2 GLU B 42 -7.011 -12.350 -4.758 1.00 0.00 O ATOM 0 H GLU B 42 -7.159 -8.204 -4.997 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.147 -8.267 -7.743 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -8.804 -9.830 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -8.716 -10.247 -7.428 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.280 -10.579 -7.244 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.326 -10.100 -5.559 1.00 0.00 H new ATOM 1643 N SER B 43 -10.052 -7.276 -6.542 1.00 0.00 N ATOM 1644 CA SER B 43 -11.317 -6.644 -6.899 1.00 0.00 C ATOM 1645 C SER B 43 -11.083 -5.430 -7.793 1.00 0.00 C ATOM 1646 O SER B 43 -11.884 -5.137 -8.680 1.00 0.00 O ATOM 1647 CB SER B 43 -12.075 -6.225 -5.638 1.00 0.00 C ATOM 1648 OG SER B 43 -11.878 -7.159 -4.590 1.00 0.00 O ATOM 0 H SER B 43 -9.905 -7.389 -5.539 1.00 0.00 H new ATOM 0 HA SER B 43 -11.916 -7.369 -7.450 1.00 0.00 H new ATOM 0 HB2 SER B 43 -11.738 -5.239 -5.318 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.139 -6.142 -5.860 1.00 0.00 H new ATOM 0 HG SER B 43 -12.371 -6.867 -3.795 1.00 0.00 H new ATOM 1654 N GLN B 44 -9.981 -4.727 -7.551 1.00 0.00 N ATOM 1655 CA GLN B 44 -9.643 -3.545 -8.333 1.00 0.00 C ATOM 1656 C GLN B 44 -8.811 -3.920 -9.555 1.00 0.00 C ATOM 1657 O GLN B 44 -8.634 -3.114 -10.469 1.00 0.00 O ATOM 1658 CB GLN B 44 -8.878 -2.539 -7.471 1.00 0.00 C ATOM 1659 CG GLN B 44 -9.493 -1.148 -7.470 1.00 0.00 C ATOM 1660 CD GLN B 44 -10.963 -1.160 -7.099 1.00 0.00 C ATOM 1661 OE1 GLN B 44 -11.831 -1.292 -7.962 1.00 0.00 O ATOM 1662 NE2 GLN B 44 -11.250 -1.021 -5.810 1.00 0.00 N ATOM 0 H GLN B 44 -9.308 -4.956 -6.820 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.572 -3.089 -8.674 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -8.835 -2.909 -6.447 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -7.851 -2.473 -7.829 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -8.950 -0.515 -6.768 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -9.375 -0.702 -8.458 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -10.498 -0.914 -5.129 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -12.222 -1.021 -5.501 1.00 0.00 H new ATOM 1671 N ALA B 45 -8.303 -5.148 -9.565 1.00 0.00 N ATOM 1672 CA ALA B 45 -7.492 -5.630 -10.676 1.00 0.00 C ATOM 1673 C ALA B 45 -8.190 -5.391 -12.010 1.00 0.00 C ATOM 1674 O ALA B 45 -7.543 -5.102 -13.016 1.00 0.00 O ATOM 1675 CB ALA B 45 -7.180 -7.109 -10.498 1.00 0.00 C ATOM 0 H ALA B 45 -8.439 -5.827 -8.816 1.00 0.00 H new ATOM 0 HA ALA B 45 -6.557 -5.070 -10.681 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.574 -7.456 -11.335 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.632 -7.256 -9.567 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -8.111 -7.676 -10.464 1.00 0.00 H new ATOM 1681 N GLU B 46 -9.514 -5.514 -12.011 1.00 0.00 N ATOM 1682 CA GLU B 46 -10.298 -5.312 -13.223 1.00 0.00 C ATOM 1683 C GLU B 46 -10.242 -3.855 -13.672 1.00 0.00 C ATOM 1684 O GLU B 46 -10.012 -3.564 -14.845 1.00 0.00 O ATOM 1685 CB GLU B 46 -11.752 -5.730 -12.992 1.00 0.00 C ATOM 1686 CG GLU B 46 -11.897 -7.104 -12.359 1.00 0.00 C ATOM 1687 CD GLU B 46 -13.344 -7.536 -12.229 1.00 0.00 C ATOM 1688 OE1 GLU B 46 -14.009 -7.703 -13.273 1.00 0.00 O ATOM 1689 OE2 GLU B 46 -13.812 -7.708 -11.084 1.00 0.00 O ATOM 0 H GLU B 46 -10.065 -5.752 -11.187 1.00 0.00 H new ATOM 0 HA GLU B 46 -9.869 -5.933 -14.009 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -12.236 -4.992 -12.353 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -12.280 -5.721 -13.946 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -11.356 -7.835 -12.959 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.434 -7.096 -11.372 1.00 0.00 H new ATOM 1696 N ARG B 47 -10.454 -2.943 -12.728 1.00 0.00 N ATOM 1697 CA ARG B 47 -10.429 -1.516 -13.025 1.00 0.00 C ATOM 1698 C ARG B 47 -9.076 -1.103 -13.598 1.00 0.00 C ATOM 1699 O ARG B 47 -9.002 -0.487 -14.661 1.00 0.00 O ATOM 1700 CB ARG B 47 -10.729 -0.705 -11.763 1.00 0.00 C ATOM 1701 CG ARG B 47 -10.652 0.798 -11.972 1.00 0.00 C ATOM 1702 CD ARG B 47 -9.289 1.347 -11.581 1.00 0.00 C ATOM 1703 NE ARG B 47 -9.125 2.741 -11.981 1.00 0.00 N ATOM 1704 CZ ARG B 47 -9.768 3.752 -11.406 1.00 0.00 C ATOM 1705 NH1 ARG B 47 -10.614 3.523 -10.412 1.00 0.00 N ATOM 1706 NH2 ARG B 47 -9.565 4.994 -11.827 1.00 0.00 N ATOM 0 H ARG B 47 -10.645 -3.167 -11.751 1.00 0.00 H new ATOM 0 HA ARG B 47 -11.198 -1.313 -13.771 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.725 -0.963 -11.404 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -10.025 -0.991 -10.982 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.853 1.032 -13.018 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.426 1.288 -11.381 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.160 1.262 -10.502 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -8.509 0.743 -12.044 1.00 0.00 H new ATOM 0 HE ARG B 47 -8.481 2.951 -12.744 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.773 2.569 -10.087 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.106 4.300 -9.972 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -8.915 5.173 -12.592 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.059 5.769 -11.385 1.00 0.00 H new ATOM 1720 N VAL B 48 -8.008 -1.448 -12.886 1.00 0.00 N ATOM 1721 CA VAL B 48 -6.657 -1.114 -13.323 1.00 0.00 C ATOM 1722 C VAL B 48 -6.356 -1.721 -14.689 1.00 0.00 C ATOM 1723 O VAL B 48 -5.733 -1.084 -15.539 1.00 0.00 O ATOM 1724 CB VAL B 48 -5.603 -1.603 -12.313 1.00 0.00 C ATOM 1725 CG1 VAL B 48 -5.724 -0.839 -11.003 1.00 0.00 C ATOM 1726 CG2 VAL B 48 -5.742 -3.100 -12.081 1.00 0.00 C ATOM 0 H VAL B 48 -8.052 -1.959 -12.004 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.606 -0.027 -13.392 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.613 -1.413 -12.727 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -4.971 -1.198 -10.301 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -5.571 0.224 -11.187 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -6.717 -0.995 -10.581 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -4.989 -3.429 -11.364 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.736 -3.317 -11.689 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.601 -3.629 -13.024 1.00 0.00 H new ATOM 1736 N ARG B 49 -6.804 -2.955 -14.893 1.00 0.00 N ATOM 1737 CA ARG B 49 -6.582 -3.649 -16.156 1.00 0.00 C ATOM 1738 C ARG B 49 -7.156 -2.851 -17.323 1.00 0.00 C ATOM 1739 O ARG B 49 -6.469 -2.596 -18.311 1.00 0.00 O ATOM 1740 CB ARG B 49 -7.214 -5.041 -16.116 1.00 0.00 C ATOM 1741 CG ARG B 49 -6.248 -6.137 -15.695 1.00 0.00 C ATOM 1742 CD ARG B 49 -6.955 -7.233 -14.913 1.00 0.00 C ATOM 1743 NE ARG B 49 -6.881 -8.524 -15.591 1.00 0.00 N ATOM 1744 CZ ARG B 49 -5.758 -9.221 -15.723 1.00 0.00 C ATOM 1745 NH1 ARG B 49 -4.621 -8.754 -15.226 1.00 0.00 N ATOM 1746 NH2 ARG B 49 -5.771 -10.389 -16.353 1.00 0.00 N ATOM 0 H ARG B 49 -7.323 -3.495 -14.200 1.00 0.00 H new ATOM 0 HA ARG B 49 -5.507 -3.750 -16.302 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -8.058 -5.028 -15.426 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -7.612 -5.278 -17.103 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -5.775 -6.566 -16.579 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -5.453 -5.708 -15.085 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -6.508 -7.318 -13.923 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -8.000 -6.959 -14.769 1.00 0.00 H new ATOM 0 HE ARG B 49 -7.738 -8.912 -15.985 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -4.607 -7.857 -14.741 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -3.760 -9.292 -15.329 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -6.644 -10.752 -16.736 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -4.908 -10.924 -16.454 1.00 0.00 H new ATOM 1760 N ALA B 50 -8.421 -2.462 -17.201 1.00 0.00 N ATOM 1761 CA ALA B 50 -9.087 -1.692 -18.244 1.00 0.00 C ATOM 1762 C ALA B 50 -8.385 -0.359 -18.476 1.00 0.00 C ATOM 1763 O ALA B 50 -7.899 -0.086 -19.573 1.00 0.00 O ATOM 1764 CB ALA B 50 -10.548 -1.466 -17.882 1.00 0.00 C ATOM 0 H ALA B 50 -9.005 -2.668 -16.390 1.00 0.00 H new ATOM 0 HA ALA B 50 -9.038 -2.264 -19.171 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.033 -0.890 -18.670 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.049 -2.428 -17.775 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.609 -0.918 -16.942 1.00 0.00 H new ATOM 1770 N GLU B 51 -8.338 0.468 -17.436 1.00 0.00 N ATOM 1771 CA GLU B 51 -7.696 1.775 -17.529 1.00 0.00 C ATOM 1772 C GLU B 51 -6.283 1.648 -18.091 1.00 0.00 C ATOM 1773 O GLU B 51 -5.878 2.419 -18.962 1.00 0.00 O ATOM 1774 CB GLU B 51 -7.652 2.444 -16.154 1.00 0.00 C ATOM 1775 CG GLU B 51 -9.023 2.653 -15.534 1.00 0.00 C ATOM 1776 CD GLU B 51 -10.078 3.020 -16.560 1.00 0.00 C ATOM 1777 OE1 GLU B 51 -9.831 3.949 -17.358 1.00 0.00 O ATOM 1778 OE2 GLU B 51 -11.149 2.378 -16.566 1.00 0.00 O ATOM 0 H GLU B 51 -8.736 0.257 -16.521 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.284 2.393 -18.207 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -7.048 1.834 -15.482 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.153 3.409 -16.245 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.326 1.743 -15.016 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.962 3.441 -14.783 1.00 0.00 H new ATOM 1785 N LEU B 52 -5.537 0.672 -17.586 1.00 0.00 N ATOM 1786 CA LEU B 52 -4.169 0.443 -18.036 1.00 0.00 C ATOM 1787 C LEU B 52 -4.117 0.257 -19.549 1.00 0.00 C ATOM 1788 O LEU B 52 -3.426 0.993 -20.252 1.00 0.00 O ATOM 1789 CB LEU B 52 -3.580 -0.784 -17.339 1.00 0.00 C ATOM 1790 CG LEU B 52 -2.131 -1.126 -17.691 1.00 0.00 C ATOM 1791 CD1 LEU B 52 -1.437 -1.787 -16.511 1.00 0.00 C ATOM 1792 CD2 LEU B 52 -2.079 -2.027 -18.917 1.00 0.00 C ATOM 0 H LEU B 52 -5.857 0.026 -16.864 1.00 0.00 H new ATOM 0 HA LEU B 52 -3.576 1.320 -17.776 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.645 -0.631 -16.262 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -4.204 -1.646 -17.576 1.00 0.00 H new ATOM 0 HG LEU B 52 -1.605 -0.200 -17.923 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -0.407 -2.023 -16.780 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -1.443 -1.108 -15.658 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -1.963 -2.705 -16.247 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -1.041 -2.260 -19.153 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -2.621 -2.950 -18.713 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -2.538 -1.516 -19.764 1.00 0.00 H new ATOM 1804 N ALA B 53 -4.855 -0.732 -20.044 1.00 0.00 N ATOM 1805 CA ALA B 53 -4.897 -1.012 -21.474 1.00 0.00 C ATOM 1806 C ALA B 53 -5.266 0.236 -22.267 1.00 0.00 C ATOM 1807 O ALA B 53 -4.786 0.438 -23.383 1.00 0.00 O ATOM 1808 CB ALA B 53 -5.883 -2.135 -21.763 1.00 0.00 C ATOM 0 H ALA B 53 -5.432 -1.352 -19.476 1.00 0.00 H new ATOM 0 HA ALA B 53 -3.902 -1.328 -21.787 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -5.904 -2.334 -22.835 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -5.574 -3.036 -21.233 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.878 -1.841 -21.429 1.00 0.00 H new ATOM 1814 N ARG B 54 -6.123 1.070 -21.686 1.00 0.00 N ATOM 1815 CA ARG B 54 -6.558 2.297 -22.340 1.00 0.00 C ATOM 1816 C ARG B 54 -5.458 3.355 -22.299 1.00 0.00 C ATOM 1817 O ARG B 54 -5.405 4.243 -23.150 1.00 0.00 O ATOM 1818 CB ARG B 54 -7.823 2.837 -21.671 1.00 0.00 C ATOM 1819 CG ARG B 54 -9.089 2.101 -22.080 1.00 0.00 C ATOM 1820 CD ARG B 54 -10.304 2.624 -21.329 1.00 0.00 C ATOM 1821 NE ARG B 54 -11.527 1.925 -21.714 1.00 0.00 N ATOM 1822 CZ ARG B 54 -12.746 2.346 -21.395 1.00 0.00 C ATOM 1823 NH1 ARG B 54 -12.903 3.458 -20.689 1.00 0.00 N ATOM 1824 NH2 ARG B 54 -13.811 1.656 -21.782 1.00 0.00 N ATOM 0 H ARG B 54 -6.530 0.917 -20.763 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.777 2.064 -23.382 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.708 2.772 -20.589 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.931 3.893 -21.917 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.246 2.214 -23.153 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.971 1.035 -21.886 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.144 2.511 -20.257 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.419 3.690 -21.523 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.441 1.066 -22.258 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -12.087 3.992 -20.390 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.840 3.779 -20.445 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.695 0.801 -22.325 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.746 1.981 -21.536 1.00 0.00 H new ATOM 1838 N PHE B 55 -4.583 3.252 -21.305 1.00 0.00 N ATOM 1839 CA PHE B 55 -3.485 4.200 -21.152 1.00 0.00 C ATOM 1840 C PHE B 55 -2.271 3.761 -21.965 1.00 0.00 C ATOM 1841 O PHE B 55 -1.504 4.592 -22.455 1.00 0.00 O ATOM 1842 CB PHE B 55 -3.103 4.336 -19.677 1.00 0.00 C ATOM 1843 CG PHE B 55 -2.424 5.636 -19.351 1.00 0.00 C ATOM 1844 CD1 PHE B 55 -3.028 6.844 -19.660 1.00 0.00 C ATOM 1845 CD2 PHE B 55 -1.183 5.650 -18.736 1.00 0.00 C ATOM 1846 CE1 PHE B 55 -2.406 8.042 -19.361 1.00 0.00 C ATOM 1847 CE2 PHE B 55 -0.556 6.844 -18.435 1.00 0.00 C ATOM 1848 CZ PHE B 55 -1.168 8.042 -18.749 1.00 0.00 C ATOM 0 H PHE B 55 -4.612 2.522 -20.593 1.00 0.00 H new ATOM 0 HA PHE B 55 -3.819 5.168 -21.524 1.00 0.00 H new ATOM 0 HB2 PHE B 55 -4.001 4.242 -19.067 1.00 0.00 H new ATOM 0 HB3 PHE B 55 -2.444 3.512 -19.403 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -3.996 6.850 -20.140 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -0.700 4.716 -18.489 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -2.888 8.977 -19.606 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.411 6.841 -17.955 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.679 8.977 -18.516 1.00 0.00 H new ATOM 1858 N LEU B 56 -2.101 2.451 -22.103 1.00 0.00 N ATOM 1859 CA LEU B 56 -0.979 1.900 -22.856 1.00 0.00 C ATOM 1860 C LEU B 56 -1.082 2.267 -24.333 1.00 0.00 C ATOM 1861 O LEU B 56 -0.072 2.487 -24.999 1.00 0.00 O ATOM 1862 CB LEU B 56 -0.931 0.379 -22.699 1.00 0.00 C ATOM 1863 CG LEU B 56 -0.100 -0.148 -21.529 1.00 0.00 C ATOM 1864 CD1 LEU B 56 -0.182 -1.665 -21.457 1.00 0.00 C ATOM 1865 CD2 LEU B 56 1.347 0.304 -21.657 1.00 0.00 C ATOM 0 H LEU B 56 -2.725 1.750 -21.704 1.00 0.00 H new ATOM 0 HA LEU B 56 -0.060 2.329 -22.457 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -1.952 0.013 -22.588 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.537 -0.049 -23.621 1.00 0.00 H new ATOM 0 HG LEU B 56 -0.507 0.262 -20.605 1.00 0.00 H new ATOM 0 HD11 LEU B 56 0.416 -2.022 -20.618 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -1.220 -1.967 -21.318 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.200 -2.094 -22.383 1.00 0.00 H new ATOM 0 HD21 LEU B 56 1.924 -0.080 -20.816 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.766 -0.077 -22.588 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.389 1.393 -21.659 1.00 0.00 H new