USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 954 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 Single : A 1 ARG N :NH3+ -141:sc= -1.73 (180deg=-4.99!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.824 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.382 K(o=-0.38,f=-2.8!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 16 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.18) USER MOD Single : A 18 GLN : amide:sc= 0.795 K(o=0.79,f=-5.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.185 K(o=-0.19,f=-2.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 27:sc= 1.08 USER MOD Single : A 40 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.979 K(o=-0.98,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.3!) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -5.35! USER MOD Single : A 60 THR OG1 : rot -151:sc= -1.18! USER MOD Single : A 61 THR OG1 : rot -76:sc= 0.965 USER MOD Single : A 63 ASN : amide:sc= -4.73! K(o=-4.7!,f=-1.3) USER MOD Single : A 65 ASN : amide:sc= -0.4 K(o=-0.4,f=-3.2!) USER MOD Single : A 66 HIS : no HD1:sc= -0.238 K(o=-0.24,f=-0.76) USER MOD Single : B 1 ARG N :NH3+ -145:sc= -1.69 (180deg=-5.15!) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= -0.818 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 GLN : amide:sc= -0.398 K(o=-0.4,f=-2.7!) USER MOD Single : B 13 THR OG1 : rot 180:sc= -0.701 USER MOD Single : B 16 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.15) USER MOD Single : B 18 GLN : amide:sc= 0.716 K(o=0.72,f=-5.6!) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 GLN : amide:sc= -0.224 K(o=-0.22,f=-2.5!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 23:sc= 1.12 USER MOD Single : B 40 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.4!) USER MOD Single : B 45 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -1 K(o=-1,f=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 ASN : amide:sc= -0.114 K(o=-0.11,f=-2.4!) USER MOD Single : B 53 TYR OH : rot 30:sc= 0 USER MOD Single : B 55 SER OG : rot 180:sc= -5.41! USER MOD Single : B 60 THR OG1 : rot -72:sc= -0.559 USER MOD Single : B 61 THR OG1 : rot -77:sc= 0.984 USER MOD Single : B 63 ASN : amide:sc= -4.83! K(o=-4.8!,f=-1.3) USER MOD Single : B 65 ASN : amide:sc= -0.408 K(o=-0.41,f=-3.2!) USER MOD Single : B 66 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -18.696 -4.553 0.741 1.00 0.41 N ATOM 2 CA ARG A 1 -19.461 -5.382 -0.237 1.00 0.42 C ATOM 3 C ARG A 1 -18.535 -5.899 -1.333 1.00 0.39 C ATOM 4 O ARG A 1 -18.509 -7.077 -1.631 1.00 0.45 O ATOM 5 CB ARG A 1 -20.509 -4.443 -0.833 1.00 0.46 C ATOM 6 CG ARG A 1 -21.587 -4.160 0.210 1.00 0.49 C ATOM 7 CD ARG A 1 -21.228 -2.887 0.972 1.00 0.69 C ATOM 8 NE ARG A 1 -22.494 -2.469 1.630 1.00 0.94 N ATOM 9 CZ ARG A 1 -22.462 -1.655 2.647 1.00 1.32 C ATOM 10 NH1 ARG A 1 -21.587 -0.685 2.678 1.00 1.37 N ATOM 11 NH2 ARG A 1 -23.303 -1.810 3.632 1.00 1.76 N ATOM 0 H1 ARG A 1 -19.040 -4.746 1.703 1.00 0.41 H new ATOM 0 H2 ARG A 1 -17.685 -4.790 0.681 1.00 0.41 H new ATOM 0 H3 ARG A 1 -18.829 -3.545 0.521 1.00 0.41 H new ATOM 0 HA ARG A 1 -19.915 -6.252 0.238 1.00 0.42 H new ATOM 0 HB2 ARG A 1 -20.040 -3.511 -1.150 1.00 0.46 H new ATOM 0 HB3 ARG A 1 -20.955 -4.893 -1.720 1.00 0.46 H new ATOM 0 HG2 ARG A 1 -22.557 -4.047 -0.274 1.00 0.49 H new ATOM 0 HG3 ARG A 1 -21.671 -4.999 0.900 1.00 0.49 H new ATOM 0 HD2 ARG A 1 -20.443 -3.073 1.706 1.00 0.69 H new ATOM 0 HD3 ARG A 1 -20.858 -2.114 0.299 1.00 0.69 H new ATOM 0 HE ARG A 1 -23.388 -2.819 1.285 1.00 0.94 H new ATOM 0 HH11 ARG A 1 -20.930 -0.566 1.907 1.00 1.37 H new ATOM 0 HH12 ARG A 1 -21.561 -0.047 3.473 1.00 1.37 H new ATOM 0 HH21 ARG A 1 -23.985 -2.568 3.606 1.00 1.76 H new ATOM 0 HH22 ARG A 1 -23.279 -1.173 4.428 1.00 1.76 H new ATOM 27 N THR A 2 -17.777 -5.034 -1.945 1.00 0.37 N ATOM 28 CA THR A 2 -16.867 -5.499 -3.023 1.00 0.37 C ATOM 29 C THR A 2 -15.527 -4.774 -2.980 1.00 0.35 C ATOM 30 O THR A 2 -15.321 -3.846 -2.222 1.00 0.43 O ATOM 31 CB THR A 2 -17.599 -5.179 -4.326 1.00 0.40 C ATOM 32 OG1 THR A 2 -18.277 -3.937 -4.197 1.00 0.42 O ATOM 33 CG2 THR A 2 -18.600 -6.290 -4.635 1.00 0.39 C ATOM 0 H THR A 2 -17.749 -4.034 -1.747 1.00 0.37 H new ATOM 0 HA THR A 2 -16.641 -6.560 -2.918 1.00 0.37 H new ATOM 0 HB THR A 2 -16.879 -5.110 -5.142 1.00 0.40 H new ATOM 0 HG1 THR A 2 -18.745 -3.731 -5.033 1.00 0.42 H new ATOM 0 HG21 THR A 2 -19.122 -6.061 -5.564 1.00 0.39 H new ATOM 0 HG22 THR A 2 -18.071 -7.237 -4.739 1.00 0.39 H new ATOM 0 HG23 THR A 2 -19.322 -6.365 -3.822 1.00 0.39 H new ATOM 41 N CYS A 3 -14.623 -5.199 -3.810 1.00 0.32 N ATOM 42 CA CYS A 3 -13.283 -4.561 -3.867 1.00 0.30 C ATOM 43 C CYS A 3 -13.061 -4.001 -5.266 1.00 0.26 C ATOM 44 O CYS A 3 -13.685 -4.424 -6.218 1.00 0.28 O ATOM 45 CB CYS A 3 -12.291 -5.684 -3.573 1.00 0.32 C ATOM 46 SG CYS A 3 -12.008 -5.785 -1.791 1.00 0.34 S ATOM 0 H CYS A 3 -14.757 -5.973 -4.461 1.00 0.32 H new ATOM 0 HA CYS A 3 -13.173 -3.740 -3.159 1.00 0.30 H new ATOM 0 HB2 CYS A 3 -12.678 -6.633 -3.945 1.00 0.32 H new ATOM 0 HB3 CYS A 3 -11.350 -5.498 -4.092 1.00 0.32 H new ATOM 51 N LEU A 4 -12.192 -3.050 -5.402 1.00 0.26 N ATOM 52 CA LEU A 4 -11.955 -2.464 -6.745 1.00 0.24 C ATOM 53 C LEU A 4 -10.476 -2.587 -7.119 1.00 0.31 C ATOM 54 O LEU A 4 -9.616 -2.671 -6.265 1.00 0.37 O ATOM 55 CB LEU A 4 -12.384 -1.010 -6.591 1.00 0.26 C ATOM 56 CG LEU A 4 -13.775 -0.961 -5.952 1.00 0.25 C ATOM 57 CD1 LEU A 4 -14.336 0.455 -6.055 1.00 0.30 C ATOM 58 CD2 LEU A 4 -14.718 -1.925 -6.673 1.00 0.22 C ATOM 0 H LEU A 4 -11.635 -2.652 -4.646 1.00 0.26 H new ATOM 0 HA LEU A 4 -12.504 -2.965 -7.542 1.00 0.24 H new ATOM 0 HB2 LEU A 4 -11.667 -0.470 -5.972 1.00 0.26 H new ATOM 0 HB3 LEU A 4 -12.400 -0.518 -7.563 1.00 0.26 H new ATOM 0 HG LEU A 4 -13.692 -1.251 -4.905 1.00 0.25 H new ATOM 0 HD11 LEU A 4 -15.326 0.488 -5.600 1.00 0.30 H new ATOM 0 HD12 LEU A 4 -13.674 1.147 -5.535 1.00 0.30 H new ATOM 0 HD13 LEU A 4 -14.409 0.742 -7.104 1.00 0.30 H new ATOM 0 HD21 LEU A 4 -15.704 -1.883 -6.211 1.00 0.22 H new ATOM 0 HD22 LEU A 4 -14.796 -1.641 -7.722 1.00 0.22 H new ATOM 0 HD23 LEU A 4 -14.326 -2.940 -6.600 1.00 0.22 H new ATOM 70 N ILE A 5 -10.172 -2.628 -8.390 1.00 0.38 N ATOM 71 CA ILE A 5 -8.747 -2.780 -8.807 1.00 0.48 C ATOM 72 C ILE A 5 -8.546 -2.328 -10.259 1.00 0.58 C ATOM 73 O ILE A 5 -7.507 -1.809 -10.615 1.00 0.58 O ATOM 74 CB ILE A 5 -8.430 -4.285 -8.689 1.00 0.57 C ATOM 75 CG1 ILE A 5 -9.707 -5.095 -8.413 1.00 0.63 C ATOM 76 CG2 ILE A 5 -7.432 -4.511 -7.554 1.00 0.56 C ATOM 77 CD1 ILE A 5 -9.406 -6.589 -8.517 1.00 0.79 C ATOM 0 H ILE A 5 -10.845 -2.563 -9.154 1.00 0.38 H new ATOM 0 HA ILE A 5 -8.094 -2.169 -8.184 1.00 0.48 H new ATOM 0 HB ILE A 5 -8.002 -4.621 -9.634 1.00 0.57 H new ATOM 0 HG12 ILE A 5 -10.090 -4.860 -7.420 1.00 0.63 H new ATOM 0 HG13 ILE A 5 -10.484 -4.821 -9.127 1.00 0.63 H new ATOM 0 HG21 ILE A 5 -7.209 -5.575 -7.472 1.00 0.56 H new ATOM 0 HG22 ILE A 5 -6.513 -3.963 -7.763 1.00 0.56 H new ATOM 0 HG23 ILE A 5 -7.861 -4.157 -6.617 1.00 0.56 H new ATOM 0 HD11 ILE A 5 -10.315 -7.158 -8.320 1.00 0.79 H new ATOM 0 HD12 ILE A 5 -9.044 -6.818 -9.519 1.00 0.79 H new ATOM 0 HD13 ILE A 5 -8.644 -6.858 -7.786 1.00 0.79 H new ATOM 89 N SER A 6 -9.522 -2.537 -11.102 1.00 0.69 N ATOM 90 CA SER A 6 -9.367 -2.132 -12.532 1.00 0.82 C ATOM 91 C SER A 6 -9.273 -0.612 -12.657 1.00 0.93 C ATOM 92 O SER A 6 -9.872 0.116 -11.888 1.00 0.92 O ATOM 93 CB SER A 6 -10.625 -2.648 -13.232 1.00 0.73 C ATOM 94 OG SER A 6 -10.574 -2.290 -14.608 1.00 0.83 O ATOM 0 H SER A 6 -10.416 -2.968 -10.865 1.00 0.69 H new ATOM 0 HA SER A 6 -8.456 -2.539 -12.972 1.00 0.82 H new ATOM 0 HB2 SER A 6 -10.696 -3.731 -13.128 1.00 0.73 H new ATOM 0 HB3 SER A 6 -11.515 -2.224 -12.766 1.00 0.73 H new ATOM 0 HG SER A 6 -11.377 -2.620 -15.062 1.00 0.83 H new ATOM 100 N PRO A 7 -8.518 -0.187 -13.634 1.00 1.12 N ATOM 101 CA PRO A 7 -8.331 1.264 -13.883 1.00 1.30 C ATOM 102 C PRO A 7 -9.622 1.881 -14.424 1.00 1.21 C ATOM 103 O PRO A 7 -9.803 3.082 -14.405 1.00 1.41 O ATOM 104 CB PRO A 7 -7.220 1.307 -14.931 1.00 1.50 C ATOM 105 CG PRO A 7 -7.290 -0.019 -15.617 1.00 1.50 C ATOM 106 CD PRO A 7 -7.777 -1.011 -14.594 1.00 1.31 C ATOM 0 HA PRO A 7 -8.081 1.827 -12.984 1.00 1.30 H new ATOM 0 HB2 PRO A 7 -7.372 2.125 -15.635 1.00 1.50 H new ATOM 0 HB3 PRO A 7 -6.245 1.462 -14.468 1.00 1.50 H new ATOM 0 HG2 PRO A 7 -7.968 0.022 -16.470 1.00 1.50 H new ATOM 0 HG3 PRO A 7 -6.312 -0.308 -16.001 1.00 1.50 H new ATOM 0 HD2 PRO A 7 -8.415 -1.771 -15.045 1.00 1.31 H new ATOM 0 HD3 PRO A 7 -6.948 -1.533 -14.117 1.00 1.31 H new ATOM 114 N SER A 8 -10.524 1.068 -14.902 1.00 0.98 N ATOM 115 CA SER A 8 -11.807 1.608 -15.437 1.00 0.92 C ATOM 116 C SER A 8 -12.754 1.933 -14.279 1.00 0.84 C ATOM 117 O SER A 8 -13.825 2.473 -14.472 1.00 1.11 O ATOM 118 CB SER A 8 -12.380 0.492 -16.309 1.00 0.79 C ATOM 119 OG SER A 8 -11.485 0.224 -17.379 1.00 0.89 O ATOM 0 H SER A 8 -10.428 0.053 -14.945 1.00 0.98 H new ATOM 0 HA SER A 8 -11.668 2.527 -16.006 1.00 0.92 H new ATOM 0 HB2 SER A 8 -12.533 -0.408 -15.714 1.00 0.79 H new ATOM 0 HB3 SER A 8 -13.355 0.785 -16.700 1.00 0.79 H new ATOM 0 HG SER A 8 -11.850 -0.493 -17.939 1.00 0.89 H new ATOM 125 N SER A 9 -12.361 1.611 -13.075 1.00 0.65 N ATOM 126 CA SER A 9 -13.231 1.903 -11.898 1.00 0.62 C ATOM 127 C SER A 9 -14.475 1.016 -11.919 1.00 0.62 C ATOM 128 O SER A 9 -15.577 1.481 -12.132 1.00 0.77 O ATOM 129 CB SER A 9 -13.621 3.374 -12.044 1.00 0.65 C ATOM 130 OG SER A 9 -13.412 4.042 -10.807 1.00 0.71 O ATOM 0 H SER A 9 -11.474 1.158 -12.856 1.00 0.65 H new ATOM 0 HA SER A 9 -12.720 1.708 -10.955 1.00 0.62 H new ATOM 0 HB2 SER A 9 -13.027 3.843 -12.828 1.00 0.65 H new ATOM 0 HB3 SER A 9 -14.666 3.457 -12.343 1.00 0.65 H new ATOM 0 HG SER A 9 -13.660 4.986 -10.899 1.00 0.71 H new ATOM 136 N THR A 10 -14.308 -0.255 -11.694 1.00 0.56 N ATOM 137 CA THR A 10 -15.486 -1.167 -11.695 1.00 0.55 C ATOM 138 C THR A 10 -15.522 -1.980 -10.399 1.00 0.35 C ATOM 139 O THR A 10 -14.502 -2.211 -9.778 1.00 0.45 O ATOM 140 CB THR A 10 -15.279 -2.085 -12.899 1.00 0.79 C ATOM 141 OG1 THR A 10 -14.240 -3.013 -12.608 1.00 0.83 O ATOM 142 CG2 THR A 10 -14.897 -1.246 -14.120 1.00 0.95 C ATOM 0 H THR A 10 -13.410 -0.702 -11.510 1.00 0.56 H new ATOM 0 HA THR A 10 -16.429 -0.624 -11.757 1.00 0.55 H new ATOM 0 HB THR A 10 -16.200 -2.627 -13.111 1.00 0.79 H new ATOM 0 HG1 THR A 10 -14.105 -3.605 -13.377 1.00 0.83 H new ATOM 0 HG21 THR A 10 -14.749 -1.900 -14.979 1.00 0.95 H new ATOM 0 HG22 THR A 10 -15.695 -0.536 -14.338 1.00 0.95 H new ATOM 0 HG23 THR A 10 -13.974 -0.703 -13.914 1.00 0.95 H new ATOM 150 N PRO A 11 -16.704 -2.389 -10.040 1.00 0.27 N ATOM 151 CA PRO A 11 -16.899 -3.191 -8.806 1.00 0.24 C ATOM 152 C PRO A 11 -16.316 -4.603 -8.952 1.00 0.30 C ATOM 153 O PRO A 11 -16.615 -5.317 -9.889 1.00 0.37 O ATOM 154 CB PRO A 11 -18.419 -3.238 -8.652 1.00 0.39 C ATOM 155 CG PRO A 11 -18.955 -3.017 -10.029 1.00 0.37 C ATOM 156 CD PRO A 11 -17.967 -2.138 -10.742 1.00 0.46 C ATOM 0 HA PRO A 11 -16.393 -2.761 -7.942 1.00 0.24 H new ATOM 0 HB2 PRO A 11 -18.745 -4.198 -8.251 1.00 0.39 H new ATOM 0 HB3 PRO A 11 -18.770 -2.469 -7.964 1.00 0.39 H new ATOM 0 HG2 PRO A 11 -19.078 -3.965 -10.553 1.00 0.37 H new ATOM 0 HG3 PRO A 11 -19.936 -2.544 -9.991 1.00 0.37 H new ATOM 0 HD2 PRO A 11 -17.895 -2.393 -11.799 1.00 0.46 H new ATOM 0 HD3 PRO A 11 -18.253 -1.088 -10.687 1.00 0.46 H new ATOM 164 N GLN A 12 -15.500 -5.013 -8.014 1.00 0.38 N ATOM 165 CA GLN A 12 -14.906 -6.380 -8.067 1.00 0.53 C ATOM 166 C GLN A 12 -15.053 -7.040 -6.690 1.00 0.55 C ATOM 167 O GLN A 12 -14.194 -6.925 -5.839 1.00 0.63 O ATOM 168 CB GLN A 12 -13.430 -6.167 -8.415 1.00 0.67 C ATOM 169 CG GLN A 12 -12.930 -7.340 -9.263 1.00 0.86 C ATOM 170 CD GLN A 12 -12.611 -6.848 -10.678 1.00 1.07 C ATOM 171 OE1 GLN A 12 -12.405 -5.671 -10.892 1.00 1.32 O ATOM 172 NE2 GLN A 12 -12.561 -7.708 -11.658 1.00 1.13 N ATOM 0 H GLN A 12 -15.219 -4.454 -7.209 1.00 0.38 H new ATOM 0 HA GLN A 12 -15.392 -7.027 -8.797 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -13.305 -5.231 -8.960 1.00 0.67 H new ATOM 0 HB3 GLN A 12 -12.839 -6.086 -7.503 1.00 0.67 H new ATOM 0 HG2 GLN A 12 -12.041 -7.777 -8.809 1.00 0.86 H new ATOM 0 HG3 GLN A 12 -13.687 -8.124 -9.301 1.00 0.86 H new ATOM 0 HE21 GLN A 12 -12.734 -8.697 -11.478 1.00 1.13 H new ATOM 0 HE22 GLN A 12 -12.349 -7.391 -12.604 1.00 1.13 H new ATOM 181 N THR A 13 -16.145 -7.721 -6.465 1.00 0.51 N ATOM 182 CA THR A 13 -16.374 -8.381 -5.154 1.00 0.50 C ATOM 183 C THR A 13 -15.203 -9.272 -4.781 1.00 0.45 C ATOM 184 O THR A 13 -14.188 -9.309 -5.449 1.00 0.50 O ATOM 185 CB THR A 13 -17.578 -9.268 -5.392 1.00 0.57 C ATOM 186 OG1 THR A 13 -18.472 -8.628 -6.296 1.00 0.65 O ATOM 187 CG2 THR A 13 -18.291 -9.561 -4.067 1.00 0.62 C ATOM 0 H THR A 13 -16.895 -7.847 -7.145 1.00 0.51 H new ATOM 0 HA THR A 13 -16.505 -7.649 -4.357 1.00 0.50 H new ATOM 0 HB THR A 13 -17.245 -10.212 -5.824 1.00 0.57 H new ATOM 0 HG1 THR A 13 -19.250 -9.204 -6.450 1.00 0.65 H new ATOM 0 HG21 THR A 13 -19.155 -10.200 -4.252 1.00 0.62 H new ATOM 0 HG22 THR A 13 -17.604 -10.067 -3.388 1.00 0.62 H new ATOM 0 HG23 THR A 13 -18.622 -8.625 -3.617 1.00 0.62 H new ATOM 195 N CYS A 14 -15.361 -10.023 -3.732 1.00 0.43 N ATOM 196 CA CYS A 14 -14.290 -10.950 -3.328 1.00 0.43 C ATOM 197 C CYS A 14 -14.823 -11.922 -2.269 1.00 0.47 C ATOM 198 O CYS A 14 -15.624 -11.546 -1.437 1.00 0.49 O ATOM 199 CB CYS A 14 -13.180 -10.060 -2.765 1.00 0.44 C ATOM 200 SG CYS A 14 -11.915 -11.082 -1.972 1.00 0.46 S ATOM 0 H CYS A 14 -16.191 -10.030 -3.139 1.00 0.43 H new ATOM 0 HA CYS A 14 -13.922 -11.558 -4.154 1.00 0.43 H new ATOM 0 HB2 CYS A 14 -12.734 -9.470 -3.565 1.00 0.44 H new ATOM 0 HB3 CYS A 14 -13.596 -9.356 -2.044 1.00 0.44 H new ATOM 205 N PRO A 15 -14.368 -13.146 -2.338 1.00 0.54 N ATOM 206 CA PRO A 15 -14.819 -14.179 -1.370 1.00 0.64 C ATOM 207 C PRO A 15 -14.328 -13.844 0.039 1.00 0.54 C ATOM 208 O PRO A 15 -13.425 -13.057 0.215 1.00 0.65 O ATOM 209 CB PRO A 15 -14.190 -15.466 -1.900 1.00 0.75 C ATOM 210 CG PRO A 15 -13.014 -15.012 -2.703 1.00 0.82 C ATOM 211 CD PRO A 15 -13.399 -13.682 -3.301 1.00 0.63 C ATOM 0 HA PRO A 15 -15.903 -14.254 -1.289 1.00 0.64 H new ATOM 0 HB2 PRO A 15 -13.883 -16.122 -1.085 1.00 0.75 H new ATOM 0 HB3 PRO A 15 -14.895 -16.028 -2.513 1.00 0.75 H new ATOM 0 HG2 PRO A 15 -12.128 -14.914 -2.075 1.00 0.82 H new ATOM 0 HG3 PRO A 15 -12.773 -15.734 -3.483 1.00 0.82 H new ATOM 0 HD2 PRO A 15 -12.536 -13.025 -3.411 1.00 0.63 H new ATOM 0 HD3 PRO A 15 -13.839 -13.799 -4.292 1.00 0.63 H new ATOM 219 N ASN A 16 -14.933 -14.420 1.042 1.00 0.43 N ATOM 220 CA ASN A 16 -14.520 -14.118 2.445 1.00 0.36 C ATOM 221 C ASN A 16 -14.822 -12.648 2.765 1.00 0.36 C ATOM 222 O ASN A 16 -15.904 -12.164 2.497 1.00 0.42 O ATOM 223 CB ASN A 16 -13.015 -14.405 2.497 1.00 0.35 C ATOM 224 CG ASN A 16 -12.744 -15.800 1.924 1.00 0.30 C ATOM 225 OD1 ASN A 16 -13.136 -16.792 2.505 1.00 0.38 O ATOM 226 ND2 ASN A 16 -12.089 -15.919 0.801 1.00 0.62 N ATOM 0 H ASN A 16 -15.698 -15.089 0.951 1.00 0.43 H new ATOM 0 HA ASN A 16 -15.056 -14.718 3.180 1.00 0.36 H new ATOM 0 HB2 ASN A 16 -12.470 -13.653 1.926 1.00 0.35 H new ATOM 0 HB3 ASN A 16 -12.657 -14.346 3.525 1.00 0.35 H new ATOM 0 HD21 ASN A 16 -11.907 -16.844 0.412 1.00 0.62 H new ATOM 0 HD22 ASN A 16 -11.759 -15.087 0.312 1.00 0.62 H new ATOM 233 N GLY A 17 -13.891 -11.929 3.329 1.00 0.38 N ATOM 234 CA GLY A 17 -14.164 -10.497 3.645 1.00 0.42 C ATOM 235 C GLY A 17 -14.799 -9.828 2.427 1.00 0.39 C ATOM 236 O GLY A 17 -14.137 -9.531 1.453 1.00 0.43 O ATOM 0 H GLY A 17 -12.962 -12.266 3.583 1.00 0.38 H new ATOM 0 HA2 GLY A 17 -14.830 -10.422 4.505 1.00 0.42 H new ATOM 0 HA3 GLY A 17 -13.238 -9.988 3.913 1.00 0.42 H new ATOM 240 N GLN A 18 -16.080 -9.596 2.469 1.00 0.37 N ATOM 241 CA GLN A 18 -16.763 -8.957 1.309 1.00 0.36 C ATOM 242 C GLN A 18 -16.302 -7.506 1.133 1.00 0.31 C ATOM 243 O GLN A 18 -16.620 -6.865 0.151 1.00 0.35 O ATOM 244 CB GLN A 18 -18.250 -9.009 1.656 1.00 0.37 C ATOM 245 CG GLN A 18 -18.516 -8.142 2.887 1.00 0.38 C ATOM 246 CD GLN A 18 -18.733 -9.039 4.108 1.00 0.49 C ATOM 247 OE1 GLN A 18 -17.807 -9.658 4.592 1.00 0.67 O ATOM 248 NE2 GLN A 18 -19.924 -9.133 4.631 1.00 0.62 N ATOM 0 H GLN A 18 -16.686 -9.821 3.258 1.00 0.37 H new ATOM 0 HA GLN A 18 -16.538 -9.466 0.372 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -18.844 -8.655 0.813 1.00 0.37 H new ATOM 0 HB3 GLN A 18 -18.554 -10.038 1.850 1.00 0.37 H new ATOM 0 HG2 GLN A 18 -17.675 -7.471 3.061 1.00 0.38 H new ATOM 0 HG3 GLN A 18 -19.393 -7.517 2.722 1.00 0.38 H new ATOM 0 HE21 GLN A 18 -20.702 -8.613 4.225 1.00 0.62 H new ATOM 0 HE22 GLN A 18 -20.078 -9.726 5.446 1.00 0.62 H new ATOM 257 N ASP A 19 -15.562 -6.976 2.069 1.00 0.26 N ATOM 258 CA ASP A 19 -15.102 -5.562 1.929 1.00 0.24 C ATOM 259 C ASP A 19 -13.669 -5.402 2.443 1.00 0.22 C ATOM 260 O ASP A 19 -13.013 -6.360 2.802 1.00 0.26 O ATOM 261 CB ASP A 19 -16.067 -4.747 2.790 1.00 0.26 C ATOM 262 CG ASP A 19 -15.808 -5.042 4.270 1.00 0.28 C ATOM 263 OD1 ASP A 19 -15.022 -5.933 4.550 1.00 0.37 O ATOM 264 OD2 ASP A 19 -16.400 -4.371 5.100 1.00 0.40 O ATOM 0 H ASP A 19 -15.258 -7.454 2.917 1.00 0.26 H new ATOM 0 HA ASP A 19 -15.099 -5.238 0.888 1.00 0.24 H new ATOM 0 HB2 ASP A 19 -15.937 -3.683 2.593 1.00 0.26 H new ATOM 0 HB3 ASP A 19 -17.097 -4.995 2.534 1.00 0.26 H new ATOM 269 N ILE A 20 -13.185 -4.191 2.483 1.00 0.22 N ATOM 270 CA ILE A 20 -11.799 -3.953 2.978 1.00 0.22 C ATOM 271 C ILE A 20 -10.804 -4.838 2.228 1.00 0.21 C ATOM 272 O ILE A 20 -10.602 -5.987 2.564 1.00 0.23 O ATOM 273 CB ILE A 20 -11.834 -4.330 4.455 1.00 0.26 C ATOM 274 CG1 ILE A 20 -12.778 -3.386 5.201 1.00 0.30 C ATOM 275 CG2 ILE A 20 -10.427 -4.209 5.043 1.00 0.34 C ATOM 276 CD1 ILE A 20 -13.458 -4.142 6.342 1.00 0.32 C ATOM 0 H ILE A 20 -13.691 -3.354 2.194 1.00 0.22 H new ATOM 0 HA ILE A 20 -11.483 -2.921 2.825 1.00 0.22 H new ATOM 0 HB ILE A 20 -12.188 -5.356 4.560 1.00 0.26 H new ATOM 0 HG12 ILE A 20 -12.222 -2.535 5.595 1.00 0.30 H new ATOM 0 HG13 ILE A 20 -13.527 -2.988 4.517 1.00 0.30 H new ATOM 0 HG21 ILE A 20 -10.450 -4.478 6.099 1.00 0.34 H new ATOM 0 HG22 ILE A 20 -9.752 -4.880 4.512 1.00 0.34 H new ATOM 0 HG23 ILE A 20 -10.076 -3.183 4.938 1.00 0.34 H new ATOM 0 HD11 ILE A 20 -14.131 -3.469 6.874 1.00 0.32 H new ATOM 0 HD12 ILE A 20 -14.027 -4.978 5.936 1.00 0.32 H new ATOM 0 HD13 ILE A 20 -12.702 -4.518 7.031 1.00 0.32 H new ATOM 288 N CYS A 21 -10.176 -4.307 1.219 1.00 0.21 N ATOM 289 CA CYS A 21 -9.185 -5.110 0.449 1.00 0.21 C ATOM 290 C CYS A 21 -7.788 -4.807 0.985 1.00 0.22 C ATOM 291 O CYS A 21 -7.535 -3.733 1.494 1.00 0.28 O ATOM 292 CB CYS A 21 -9.307 -4.655 -1.015 1.00 0.24 C ATOM 293 SG CYS A 21 -10.994 -4.090 -1.378 1.00 0.31 S ATOM 0 H CYS A 21 -10.305 -3.349 0.892 1.00 0.21 H new ATOM 0 HA CYS A 21 -9.362 -6.182 0.536 1.00 0.21 H new ATOM 0 HB2 CYS A 21 -8.599 -3.849 -1.210 1.00 0.24 H new ATOM 0 HB3 CYS A 21 -9.044 -5.478 -1.679 1.00 0.24 H new ATOM 298 N PHE A 22 -6.874 -5.727 0.883 1.00 0.23 N ATOM 299 CA PHE A 22 -5.522 -5.455 1.398 1.00 0.24 C ATOM 300 C PHE A 22 -4.491 -6.394 0.753 1.00 0.25 C ATOM 301 O PHE A 22 -4.835 -7.329 0.056 1.00 0.34 O ATOM 302 CB PHE A 22 -5.617 -5.709 2.907 1.00 0.27 C ATOM 303 CG PHE A 22 -5.484 -7.191 3.167 1.00 0.27 C ATOM 304 CD1 PHE A 22 -6.494 -8.070 2.757 1.00 0.26 C ATOM 305 CD2 PHE A 22 -4.331 -7.686 3.783 1.00 0.42 C ATOM 306 CE1 PHE A 22 -6.349 -9.445 2.970 1.00 0.27 C ATOM 307 CE2 PHE A 22 -4.182 -9.061 3.992 1.00 0.49 C ATOM 308 CZ PHE A 22 -5.192 -9.942 3.586 1.00 0.38 C ATOM 0 H PHE A 22 -7.010 -6.648 0.467 1.00 0.23 H new ATOM 0 HA PHE A 22 -5.195 -4.440 1.171 1.00 0.24 H new ATOM 0 HB2 PHE A 22 -4.832 -5.163 3.431 1.00 0.27 H new ATOM 0 HB3 PHE A 22 -6.570 -5.344 3.291 1.00 0.27 H new ATOM 0 HD1 PHE A 22 -7.383 -7.687 2.277 1.00 0.26 H new ATOM 0 HD2 PHE A 22 -3.554 -7.006 4.098 1.00 0.42 H new ATOM 0 HE1 PHE A 22 -7.129 -10.124 2.660 1.00 0.27 H new ATOM 0 HE2 PHE A 22 -3.290 -9.443 4.466 1.00 0.49 H new ATOM 0 HZ PHE A 22 -5.080 -11.004 3.747 1.00 0.38 H new ATOM 318 N LEU A 23 -3.233 -6.160 1.006 1.00 0.21 N ATOM 319 CA LEU A 23 -2.173 -7.044 0.437 1.00 0.22 C ATOM 320 C LEU A 23 -1.228 -7.495 1.547 1.00 0.23 C ATOM 321 O LEU A 23 -1.038 -6.801 2.523 1.00 0.34 O ATOM 322 CB LEU A 23 -1.413 -6.175 -0.556 1.00 0.23 C ATOM 323 CG LEU A 23 -0.508 -7.058 -1.418 1.00 0.29 C ATOM 324 CD1 LEU A 23 -0.686 -6.691 -2.891 1.00 0.35 C ATOM 325 CD2 LEU A 23 0.953 -6.842 -1.014 1.00 0.40 C ATOM 0 H LEU A 23 -2.891 -5.392 1.584 1.00 0.21 H new ATOM 0 HA LEU A 23 -2.592 -7.934 -0.032 1.00 0.22 H new ATOM 0 HB2 LEU A 23 -2.113 -5.628 -1.187 1.00 0.23 H new ATOM 0 HB3 LEU A 23 -0.816 -5.434 -0.025 1.00 0.23 H new ATOM 0 HG LEU A 23 -0.777 -8.104 -1.269 1.00 0.29 H new ATOM 0 HD11 LEU A 23 -0.041 -7.321 -3.503 1.00 0.35 H new ATOM 0 HD12 LEU A 23 -1.725 -6.845 -3.181 1.00 0.35 H new ATOM 0 HD13 LEU A 23 -0.419 -5.645 -3.040 1.00 0.35 H new ATOM 0 HD21 LEU A 23 1.597 -7.471 -1.628 1.00 0.40 H new ATOM 0 HD22 LEU A 23 1.220 -5.796 -1.161 1.00 0.40 H new ATOM 0 HD23 LEU A 23 1.083 -7.105 0.036 1.00 0.40 H new ATOM 337 N LYS A 24 -0.621 -8.639 1.409 1.00 0.25 N ATOM 338 CA LYS A 24 0.322 -9.102 2.465 1.00 0.26 C ATOM 339 C LYS A 24 1.672 -9.467 1.842 1.00 0.29 C ATOM 340 O LYS A 24 1.752 -10.272 0.936 1.00 0.33 O ATOM 341 CB LYS A 24 -0.336 -10.334 3.089 1.00 0.32 C ATOM 342 CG LYS A 24 0.514 -10.814 4.268 1.00 0.37 C ATOM 343 CD LYS A 24 0.084 -12.225 4.675 1.00 0.45 C ATOM 344 CE LYS A 24 -0.864 -12.145 5.874 1.00 0.53 C ATOM 345 NZ LYS A 24 -0.795 -13.490 6.512 1.00 0.71 N ATOM 0 H LYS A 24 -0.735 -9.271 0.616 1.00 0.25 H new ATOM 0 HA LYS A 24 0.513 -8.330 3.211 1.00 0.26 H new ATOM 0 HB2 LYS A 24 -1.344 -10.092 3.426 1.00 0.32 H new ATOM 0 HB3 LYS A 24 -0.430 -11.126 2.346 1.00 0.32 H new ATOM 0 HG2 LYS A 24 1.569 -10.810 3.993 1.00 0.37 H new ATOM 0 HG3 LYS A 24 0.402 -10.132 5.111 1.00 0.37 H new ATOM 0 HD2 LYS A 24 -0.410 -12.721 3.840 1.00 0.45 H new ATOM 0 HD3 LYS A 24 0.959 -12.824 4.929 1.00 0.45 H new ATOM 0 HE2 LYS A 24 -0.557 -11.363 6.568 1.00 0.53 H new ATOM 0 HE3 LYS A 24 -1.880 -11.910 5.558 1.00 0.53 H new ATOM 0 HZ1 LYS A 24 -1.420 -13.512 7.343 1.00 0.71 H new ATOM 0 HZ2 LYS A 24 -1.100 -14.214 5.830 1.00 0.71 H new ATOM 0 HZ3 LYS A 24 0.183 -13.684 6.809 1.00 0.71 H new ATOM 359 N ALA A 25 2.733 -8.875 2.320 1.00 0.30 N ATOM 360 CA ALA A 25 4.081 -9.183 1.754 1.00 0.31 C ATOM 361 C ALA A 25 4.998 -9.782 2.827 1.00 0.32 C ATOM 362 O ALA A 25 4.898 -9.462 3.995 1.00 0.33 O ATOM 363 CB ALA A 25 4.626 -7.841 1.272 1.00 0.35 C ATOM 0 H ALA A 25 2.726 -8.192 3.077 1.00 0.30 H new ATOM 0 HA ALA A 25 4.025 -9.916 0.949 1.00 0.31 H new ATOM 0 HB1 ALA A 25 5.617 -7.984 0.842 1.00 0.35 H new ATOM 0 HB2 ALA A 25 3.958 -7.427 0.516 1.00 0.35 H new ATOM 0 HB3 ALA A 25 4.692 -7.152 2.114 1.00 0.35 H new ATOM 369 N GLN A 26 5.887 -10.660 2.436 1.00 0.38 N ATOM 370 CA GLN A 26 6.808 -11.295 3.426 1.00 0.43 C ATOM 371 C GLN A 26 8.142 -11.666 2.771 1.00 0.41 C ATOM 372 O GLN A 26 8.258 -11.736 1.563 1.00 0.58 O ATOM 373 CB GLN A 26 6.080 -12.560 3.875 1.00 0.50 C ATOM 374 CG GLN A 26 5.805 -13.441 2.653 1.00 0.60 C ATOM 375 CD GLN A 26 6.687 -14.690 2.705 1.00 0.69 C ATOM 376 OE1 GLN A 26 7.719 -14.697 3.346 1.00 0.75 O ATOM 377 NE2 GLN A 26 6.321 -15.755 2.047 1.00 0.91 N ATOM 0 H GLN A 26 6.015 -10.965 1.471 1.00 0.38 H new ATOM 0 HA GLN A 26 7.039 -10.624 4.253 1.00 0.43 H new ATOM 0 HB2 GLN A 26 6.684 -13.103 4.602 1.00 0.50 H new ATOM 0 HB3 GLN A 26 5.144 -12.300 4.369 1.00 0.50 H new ATOM 0 HG2 GLN A 26 4.754 -13.728 2.629 1.00 0.60 H new ATOM 0 HG3 GLN A 26 6.004 -12.882 1.738 1.00 0.60 H new ATOM 0 HE21 GLN A 26 5.455 -15.749 1.509 1.00 0.91 H new ATOM 0 HE22 GLN A 26 6.901 -16.594 2.071 1.00 0.91 H new ATOM 386 N CYS A 27 9.149 -11.917 3.566 1.00 0.46 N ATOM 387 CA CYS A 27 10.476 -12.300 3.003 1.00 0.50 C ATOM 388 C CYS A 27 10.905 -13.661 3.551 1.00 0.60 C ATOM 389 O CYS A 27 10.781 -13.937 4.729 1.00 0.74 O ATOM 390 CB CYS A 27 11.428 -11.197 3.456 1.00 0.55 C ATOM 391 SG CYS A 27 11.126 -9.725 2.449 1.00 0.44 S ATOM 0 H CYS A 27 9.109 -11.873 4.584 1.00 0.46 H new ATOM 0 HA CYS A 27 10.460 -12.394 1.917 1.00 0.50 H new ATOM 0 HB2 CYS A 27 11.272 -10.972 4.511 1.00 0.55 H new ATOM 0 HB3 CYS A 27 12.463 -11.523 3.349 1.00 0.55 H new ATOM 396 N ASP A 28 11.402 -14.519 2.702 1.00 0.58 N ATOM 397 CA ASP A 28 11.831 -15.867 3.168 1.00 0.67 C ATOM 398 C ASP A 28 13.322 -16.073 2.898 1.00 0.66 C ATOM 399 O ASP A 28 13.763 -16.111 1.766 1.00 1.02 O ATOM 400 CB ASP A 28 10.998 -16.848 2.340 1.00 0.70 C ATOM 401 CG ASP A 28 11.152 -18.260 2.906 1.00 0.77 C ATOM 402 OD1 ASP A 28 10.863 -18.443 4.078 1.00 1.09 O ATOM 403 OD2 ASP A 28 11.549 -19.137 2.158 1.00 0.97 O ATOM 0 H ASP A 28 11.529 -14.344 1.705 1.00 0.58 H new ATOM 0 HA ASP A 28 11.683 -16.001 4.239 1.00 0.67 H new ATOM 0 HB2 ASP A 28 9.949 -16.552 2.355 1.00 0.70 H new ATOM 0 HB3 ASP A 28 11.321 -16.826 1.299 1.00 0.70 H new ATOM 408 N LYS A 29 14.100 -16.210 3.935 1.00 0.38 N ATOM 409 CA LYS A 29 15.564 -16.418 3.755 1.00 0.39 C ATOM 410 C LYS A 29 16.133 -15.453 2.705 1.00 0.38 C ATOM 411 O LYS A 29 16.282 -15.793 1.549 1.00 0.58 O ATOM 412 CB LYS A 29 15.705 -17.868 3.292 1.00 0.52 C ATOM 413 CG LYS A 29 16.705 -18.592 4.197 1.00 0.54 C ATOM 414 CD LYS A 29 16.057 -19.851 4.780 1.00 0.73 C ATOM 415 CE LYS A 29 16.907 -20.368 5.945 1.00 1.09 C ATOM 416 NZ LYS A 29 16.216 -21.603 6.412 1.00 1.24 N ATOM 0 H LYS A 29 13.783 -16.187 4.904 1.00 0.38 H new ATOM 0 HA LYS A 29 16.116 -16.226 4.675 1.00 0.39 H new ATOM 0 HB2 LYS A 29 14.737 -18.369 3.326 1.00 0.52 H new ATOM 0 HB3 LYS A 29 16.044 -17.900 2.257 1.00 0.52 H new ATOM 0 HG2 LYS A 29 17.596 -18.860 3.629 1.00 0.54 H new ATOM 0 HG3 LYS A 29 17.026 -17.931 5.002 1.00 0.54 H new ATOM 0 HD2 LYS A 29 15.047 -19.628 5.123 1.00 0.73 H new ATOM 0 HD3 LYS A 29 15.970 -20.618 4.011 1.00 0.73 H new ATOM 0 HE2 LYS A 29 17.926 -20.584 5.624 1.00 1.09 H new ATOM 0 HE3 LYS A 29 16.974 -19.628 6.743 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 16.741 -22.014 7.210 1.00 1.24 H new ATOM 0 HZ2 LYS A 29 15.251 -21.366 6.718 1.00 1.24 H new ATOM 0 HZ3 LYS A 29 16.173 -22.292 5.634 1.00 1.24 H new ATOM 430 N PHE A 30 16.470 -14.258 3.113 1.00 0.27 N ATOM 431 CA PHE A 30 17.056 -13.261 2.161 1.00 0.31 C ATOM 432 C PHE A 30 16.062 -12.878 1.058 1.00 0.38 C ATOM 433 O PHE A 30 15.974 -13.525 0.034 1.00 0.55 O ATOM 434 CB PHE A 30 18.279 -13.956 1.553 1.00 0.35 C ATOM 435 CG PHE A 30 19.033 -14.698 2.632 1.00 0.46 C ATOM 436 CD1 PHE A 30 19.454 -14.021 3.781 1.00 0.61 C ATOM 437 CD2 PHE A 30 19.305 -16.062 2.483 1.00 0.57 C ATOM 438 CE1 PHE A 30 20.148 -14.708 4.783 1.00 0.78 C ATOM 439 CE2 PHE A 30 20.001 -16.750 3.484 1.00 0.74 C ATOM 440 CZ PHE A 30 20.423 -16.073 4.634 1.00 0.81 C ATOM 0 H PHE A 30 16.365 -13.925 4.071 1.00 0.27 H new ATOM 0 HA PHE A 30 17.313 -12.334 2.673 1.00 0.31 H new ATOM 0 HB2 PHE A 30 17.965 -14.650 0.773 1.00 0.35 H new ATOM 0 HB3 PHE A 30 18.930 -13.220 1.081 1.00 0.35 H new ATOM 0 HD1 PHE A 30 19.243 -12.968 3.895 1.00 0.61 H new ATOM 0 HD2 PHE A 30 18.978 -16.584 1.596 1.00 0.57 H new ATOM 0 HE1 PHE A 30 20.472 -14.186 5.671 1.00 0.78 H new ATOM 0 HE2 PHE A 30 20.212 -17.803 3.369 1.00 0.74 H new ATOM 0 HZ PHE A 30 20.961 -16.603 5.406 1.00 0.81 H new ATOM 450 N CYS A 31 15.317 -11.826 1.266 1.00 0.39 N ATOM 451 CA CYS A 31 14.329 -11.372 0.258 1.00 0.51 C ATOM 452 C CYS A 31 15.013 -10.935 -1.046 1.00 0.63 C ATOM 453 O CYS A 31 14.793 -9.840 -1.526 1.00 0.69 O ATOM 454 CB CYS A 31 13.662 -10.167 0.912 1.00 0.52 C ATOM 455 SG CYS A 31 11.877 -10.224 0.644 1.00 0.42 S ATOM 0 H CYS A 31 15.356 -11.254 2.110 1.00 0.39 H new ATOM 0 HA CYS A 31 13.632 -12.166 -0.010 1.00 0.51 H new ATOM 0 HB2 CYS A 31 13.877 -10.158 1.981 1.00 0.52 H new ATOM 0 HB3 CYS A 31 14.071 -9.246 0.497 1.00 0.52 H new ATOM 460 N SER A 32 15.830 -11.766 -1.628 1.00 0.73 N ATOM 461 CA SER A 32 16.507 -11.370 -2.898 1.00 0.92 C ATOM 462 C SER A 32 17.210 -12.576 -3.520 1.00 0.89 C ATOM 463 O SER A 32 18.173 -12.442 -4.250 1.00 1.06 O ATOM 464 CB SER A 32 17.519 -10.301 -2.495 1.00 1.02 C ATOM 465 OG SER A 32 16.898 -9.024 -2.554 1.00 1.20 O ATOM 0 H SER A 32 16.059 -12.698 -1.283 1.00 0.73 H new ATOM 0 HA SER A 32 15.803 -10.998 -3.642 1.00 0.92 H new ATOM 0 HB2 SER A 32 17.887 -10.493 -1.487 1.00 1.02 H new ATOM 0 HB3 SER A 32 18.382 -10.330 -3.161 1.00 1.02 H new ATOM 0 HG SER A 32 15.933 -9.123 -2.414 1.00 1.20 H new ATOM 471 N ILE A 33 16.730 -13.753 -3.239 1.00 0.71 N ATOM 472 CA ILE A 33 17.352 -14.976 -3.811 1.00 0.71 C ATOM 473 C ILE A 33 16.315 -15.712 -4.660 1.00 0.60 C ATOM 474 O ILE A 33 16.612 -16.231 -5.718 1.00 0.70 O ATOM 475 CB ILE A 33 17.766 -15.810 -2.599 1.00 0.70 C ATOM 476 CG1 ILE A 33 18.820 -15.041 -1.794 1.00 0.87 C ATOM 477 CG2 ILE A 33 18.349 -17.146 -3.067 1.00 0.84 C ATOM 478 CD1 ILE A 33 19.925 -14.549 -2.732 1.00 0.94 C ATOM 0 H ILE A 33 15.927 -13.921 -2.633 1.00 0.71 H new ATOM 0 HA ILE A 33 18.206 -14.765 -4.455 1.00 0.71 H new ATOM 0 HB ILE A 33 16.895 -16.001 -1.972 1.00 0.70 H new ATOM 0 HG12 ILE A 33 18.358 -14.195 -1.285 1.00 0.87 H new ATOM 0 HG13 ILE A 33 19.244 -15.684 -1.023 1.00 0.87 H new ATOM 0 HG21 ILE A 33 18.643 -17.738 -2.200 1.00 0.84 H new ATOM 0 HG22 ILE A 33 17.598 -17.690 -3.640 1.00 0.84 H new ATOM 0 HG23 ILE A 33 19.221 -16.963 -3.694 1.00 0.84 H new ATOM 0 HD11 ILE A 33 20.673 -14.003 -2.158 1.00 0.94 H new ATOM 0 HD12 ILE A 33 20.395 -15.403 -3.220 1.00 0.94 H new ATOM 0 HD13 ILE A 33 19.495 -13.891 -3.487 1.00 0.94 H new ATOM 490 N ARG A 34 15.093 -15.747 -4.206 1.00 0.45 N ATOM 491 CA ARG A 34 14.032 -16.422 -4.972 1.00 0.37 C ATOM 492 C ARG A 34 12.873 -15.453 -5.227 1.00 0.43 C ATOM 493 O ARG A 34 11.802 -15.845 -5.647 1.00 0.56 O ATOM 494 CB ARG A 34 13.594 -17.603 -4.102 1.00 0.31 C ATOM 495 CG ARG A 34 12.769 -17.101 -2.914 1.00 0.33 C ATOM 496 CD ARG A 34 12.510 -18.265 -1.954 1.00 0.44 C ATOM 497 NE ARG A 34 13.307 -17.952 -0.736 1.00 0.52 N ATOM 498 CZ ARG A 34 14.593 -18.172 -0.721 1.00 0.58 C ATOM 499 NH1 ARG A 34 15.062 -19.323 -1.121 1.00 0.79 N ATOM 500 NH2 ARG A 34 15.409 -17.243 -0.306 1.00 0.95 N ATOM 0 H ARG A 34 14.790 -15.329 -3.326 1.00 0.45 H new ATOM 0 HA ARG A 34 14.374 -16.761 -5.950 1.00 0.37 H new ATOM 0 HB2 ARG A 34 13.005 -18.303 -4.695 1.00 0.31 H new ATOM 0 HB3 ARG A 34 14.469 -18.146 -3.744 1.00 0.31 H new ATOM 0 HG2 ARG A 34 13.300 -16.301 -2.399 1.00 0.33 H new ATOM 0 HG3 ARG A 34 11.824 -16.684 -3.262 1.00 0.33 H new ATOM 0 HD2 ARG A 34 11.449 -18.353 -1.719 1.00 0.44 H new ATOM 0 HD3 ARG A 34 12.818 -19.214 -2.393 1.00 0.44 H new ATOM 0 HE ARG A 34 12.847 -17.565 0.088 1.00 0.52 H new ATOM 0 HH11 ARG A 34 14.423 -20.049 -1.445 1.00 0.79 H new ATOM 0 HH12 ARG A 34 16.067 -19.496 -1.110 1.00 0.79 H new ATOM 0 HH21 ARG A 34 15.042 -16.344 0.007 1.00 0.95 H new ATOM 0 HH22 ARG A 34 16.414 -17.415 -0.294 1.00 0.95 H new ATOM 514 N GLY A 35 13.083 -14.186 -4.976 1.00 0.41 N ATOM 515 CA GLY A 35 12.001 -13.187 -5.205 1.00 0.49 C ATOM 516 C GLY A 35 11.057 -13.175 -4.005 1.00 0.43 C ATOM 517 O GLY A 35 10.723 -14.214 -3.471 1.00 0.42 O ATOM 0 H GLY A 35 13.959 -13.802 -4.622 1.00 0.41 H new ATOM 0 HA2 GLY A 35 12.431 -12.196 -5.353 1.00 0.49 H new ATOM 0 HA3 GLY A 35 11.450 -13.434 -6.112 1.00 0.49 H new ATOM 521 N PRO A 36 10.652 -11.996 -3.620 1.00 0.49 N ATOM 522 CA PRO A 36 9.732 -11.856 -2.471 1.00 0.50 C ATOM 523 C PRO A 36 8.344 -12.363 -2.855 1.00 0.52 C ATOM 524 O PRO A 36 8.064 -12.617 -4.010 1.00 0.59 O ATOM 525 CB PRO A 36 9.723 -10.358 -2.190 1.00 0.57 C ATOM 526 CG PRO A 36 10.109 -9.718 -3.485 1.00 0.55 C ATOM 527 CD PRO A 36 10.994 -10.697 -4.215 1.00 0.64 C ATOM 0 HA PRO A 36 10.035 -12.432 -1.597 1.00 0.50 H new ATOM 0 HB2 PRO A 36 8.738 -10.024 -1.863 1.00 0.57 H new ATOM 0 HB3 PRO A 36 10.426 -10.101 -1.398 1.00 0.57 H new ATOM 0 HG2 PRO A 36 9.225 -9.482 -4.077 1.00 0.55 H new ATOM 0 HG3 PRO A 36 10.635 -8.780 -3.310 1.00 0.55 H new ATOM 0 HD2 PRO A 36 10.802 -10.686 -5.288 1.00 0.64 H new ATOM 0 HD3 PRO A 36 12.049 -10.460 -4.078 1.00 0.64 H new ATOM 535 N VAL A 37 7.475 -12.517 -1.902 1.00 0.53 N ATOM 536 CA VAL A 37 6.112 -13.010 -2.224 1.00 0.54 C ATOM 537 C VAL A 37 5.077 -11.984 -1.795 1.00 0.54 C ATOM 538 O VAL A 37 5.269 -11.237 -0.857 1.00 0.67 O ATOM 539 CB VAL A 37 5.972 -14.311 -1.440 1.00 0.57 C ATOM 540 CG1 VAL A 37 4.629 -14.964 -1.764 1.00 0.60 C ATOM 541 CG2 VAL A 37 7.109 -15.257 -1.832 1.00 0.61 C ATOM 0 H VAL A 37 7.648 -12.324 -0.916 1.00 0.53 H new ATOM 0 HA VAL A 37 5.959 -13.173 -3.291 1.00 0.54 H new ATOM 0 HB VAL A 37 6.020 -14.101 -0.371 1.00 0.57 H new ATOM 0 HG11 VAL A 37 4.531 -15.893 -1.203 1.00 0.60 H new ATOM 0 HG12 VAL A 37 3.820 -14.287 -1.489 1.00 0.60 H new ATOM 0 HG13 VAL A 37 4.577 -15.178 -2.832 1.00 0.60 H new ATOM 0 HG21 VAL A 37 7.015 -16.189 -1.275 1.00 0.61 H new ATOM 0 HG22 VAL A 37 7.057 -15.466 -2.901 1.00 0.61 H new ATOM 0 HG23 VAL A 37 8.067 -14.791 -1.600 1.00 0.61 H new ATOM 551 N ILE A 38 3.994 -11.922 -2.503 1.00 0.47 N ATOM 552 CA ILE A 38 2.959 -10.920 -2.175 1.00 0.45 C ATOM 553 C ILE A 38 1.587 -11.425 -2.631 1.00 0.41 C ATOM 554 O ILE A 38 1.380 -11.728 -3.788 1.00 0.46 O ATOM 555 CB ILE A 38 3.433 -9.701 -2.969 1.00 0.49 C ATOM 556 CG1 ILE A 38 4.181 -8.753 -2.029 1.00 0.52 C ATOM 557 CG2 ILE A 38 2.250 -8.961 -3.603 1.00 0.61 C ATOM 558 CD1 ILE A 38 5.654 -8.688 -2.439 1.00 0.54 C ATOM 0 H ILE A 38 3.781 -12.525 -3.298 1.00 0.47 H new ATOM 0 HA ILE A 38 2.842 -10.704 -1.113 1.00 0.45 H new ATOM 0 HB ILE A 38 4.092 -10.041 -3.768 1.00 0.49 H new ATOM 0 HG12 ILE A 38 3.737 -7.758 -2.069 1.00 0.52 H new ATOM 0 HG13 ILE A 38 4.094 -9.100 -0.999 1.00 0.52 H new ATOM 0 HG21 ILE A 38 2.617 -8.099 -4.161 1.00 0.61 H new ATOM 0 HG22 ILE A 38 1.721 -9.633 -4.279 1.00 0.61 H new ATOM 0 HG23 ILE A 38 1.570 -8.624 -2.821 1.00 0.61 H new ATOM 0 HD11 ILE A 38 6.188 -8.013 -1.770 1.00 0.54 H new ATOM 0 HD12 ILE A 38 6.093 -9.684 -2.377 1.00 0.54 H new ATOM 0 HD13 ILE A 38 5.731 -8.321 -3.462 1.00 0.54 H new ATOM 570 N GLU A 39 0.652 -11.526 -1.730 1.00 0.35 N ATOM 571 CA GLU A 39 -0.696 -12.021 -2.122 1.00 0.35 C ATOM 572 C GLU A 39 -1.772 -11.004 -1.741 1.00 0.31 C ATOM 573 O GLU A 39 -1.712 -10.379 -0.703 1.00 0.42 O ATOM 574 CB GLU A 39 -0.877 -13.317 -1.334 1.00 0.38 C ATOM 575 CG GLU A 39 0.226 -14.305 -1.728 1.00 0.37 C ATOM 576 CD GLU A 39 -0.401 -15.542 -2.374 1.00 0.45 C ATOM 577 OE1 GLU A 39 -0.986 -15.398 -3.435 1.00 0.54 O ATOM 578 OE2 GLU A 39 -0.283 -16.611 -1.800 1.00 0.56 O ATOM 0 H GLU A 39 0.761 -11.289 -0.744 1.00 0.35 H new ATOM 0 HA GLU A 39 -0.783 -12.177 -3.197 1.00 0.35 H new ATOM 0 HB2 GLU A 39 -0.835 -13.115 -0.264 1.00 0.38 H new ATOM 0 HB3 GLU A 39 -1.857 -13.747 -1.539 1.00 0.38 H new ATOM 0 HG2 GLU A 39 0.921 -13.832 -2.422 1.00 0.37 H new ATOM 0 HG3 GLU A 39 0.801 -14.594 -0.848 1.00 0.37 H new ATOM 585 N GLN A 40 -2.759 -10.841 -2.576 1.00 0.28 N ATOM 586 CA GLN A 40 -3.845 -9.872 -2.264 1.00 0.26 C ATOM 587 C GLN A 40 -5.134 -10.623 -1.929 1.00 0.27 C ATOM 588 O GLN A 40 -5.479 -11.600 -2.562 1.00 0.35 O ATOM 589 CB GLN A 40 -4.023 -9.044 -3.537 1.00 0.30 C ATOM 590 CG GLN A 40 -5.119 -8.000 -3.316 1.00 0.29 C ATOM 591 CD GLN A 40 -5.047 -6.941 -4.418 1.00 0.30 C ATOM 592 OE1 GLN A 40 -4.030 -6.300 -4.595 1.00 0.37 O ATOM 593 NE2 GLN A 40 -6.090 -6.729 -5.173 1.00 0.38 N ATOM 0 H GLN A 40 -2.861 -11.337 -3.461 1.00 0.28 H new ATOM 0 HA GLN A 40 -3.605 -9.245 -1.405 1.00 0.26 H new ATOM 0 HB2 GLN A 40 -3.086 -8.553 -3.799 1.00 0.30 H new ATOM 0 HB3 GLN A 40 -4.287 -9.693 -4.372 1.00 0.30 H new ATOM 0 HG2 GLN A 40 -6.098 -8.479 -3.321 1.00 0.29 H new ATOM 0 HG3 GLN A 40 -4.998 -7.532 -2.339 1.00 0.29 H new ATOM 0 HE21 GLN A 40 -6.944 -7.267 -5.025 1.00 0.38 H new ATOM 0 HE22 GLN A 40 -6.051 -6.026 -5.911 1.00 0.38 H new ATOM 602 N GLY A 41 -5.848 -10.172 -0.938 1.00 0.29 N ATOM 603 CA GLY A 41 -7.116 -10.851 -0.557 1.00 0.32 C ATOM 604 C GLY A 41 -8.017 -9.844 0.152 1.00 0.28 C ATOM 605 O GLY A 41 -7.638 -8.713 0.381 1.00 0.33 O ATOM 0 H GLY A 41 -5.607 -9.358 -0.372 1.00 0.29 H new ATOM 0 HA2 GLY A 41 -7.614 -11.246 -1.443 1.00 0.32 H new ATOM 0 HA3 GLY A 41 -6.909 -11.698 0.097 1.00 0.32 H new ATOM 609 N CYS A 42 -9.205 -10.239 0.501 1.00 0.25 N ATOM 610 CA CYS A 42 -10.121 -9.294 1.193 1.00 0.26 C ATOM 611 C CYS A 42 -10.606 -9.902 2.509 1.00 0.25 C ATOM 612 O CYS A 42 -10.954 -11.063 2.579 1.00 0.38 O ATOM 613 CB CYS A 42 -11.282 -9.101 0.222 1.00 0.30 C ATOM 614 SG CYS A 42 -12.131 -10.679 -0.006 1.00 0.39 S ATOM 0 H CYS A 42 -9.582 -11.173 0.338 1.00 0.25 H new ATOM 0 HA CYS A 42 -9.639 -8.349 1.444 1.00 0.26 H new ATOM 0 HB2 CYS A 42 -11.975 -8.354 0.608 1.00 0.30 H new ATOM 0 HB3 CYS A 42 -10.914 -8.730 -0.735 1.00 0.30 H new ATOM 619 N VAL A 43 -10.626 -9.121 3.555 1.00 0.33 N ATOM 620 CA VAL A 43 -11.081 -9.646 4.874 1.00 0.37 C ATOM 621 C VAL A 43 -11.821 -8.552 5.648 1.00 0.37 C ATOM 622 O VAL A 43 -11.922 -7.427 5.203 1.00 0.44 O ATOM 623 CB VAL A 43 -9.793 -10.037 5.595 1.00 0.39 C ATOM 624 CG1 VAL A 43 -10.140 -10.834 6.853 1.00 0.42 C ATOM 625 CG2 VAL A 43 -8.934 -10.897 4.666 1.00 0.44 C ATOM 0 H VAL A 43 -10.346 -8.140 3.553 1.00 0.33 H new ATOM 0 HA VAL A 43 -11.770 -10.485 4.778 1.00 0.37 H new ATOM 0 HB VAL A 43 -9.241 -9.139 5.874 1.00 0.39 H new ATOM 0 HG11 VAL A 43 -9.223 -11.115 7.370 1.00 0.42 H new ATOM 0 HG12 VAL A 43 -10.756 -10.223 7.513 1.00 0.42 H new ATOM 0 HG13 VAL A 43 -10.689 -11.733 6.574 1.00 0.42 H new ATOM 0 HG21 VAL A 43 -8.014 -11.178 5.178 1.00 0.44 H new ATOM 0 HG22 VAL A 43 -9.485 -11.796 4.390 1.00 0.44 H new ATOM 0 HG23 VAL A 43 -8.691 -10.330 3.767 1.00 0.44 H new ATOM 635 N ALA A 44 -12.332 -8.865 6.809 1.00 0.37 N ATOM 636 CA ALA A 44 -13.050 -7.827 7.602 1.00 0.38 C ATOM 637 C ALA A 44 -12.033 -6.899 8.268 1.00 0.37 C ATOM 638 O ALA A 44 -12.311 -5.750 8.547 1.00 0.50 O ATOM 639 CB ALA A 44 -13.844 -8.597 8.658 1.00 0.42 C ATOM 0 H ALA A 44 -12.284 -9.788 7.240 1.00 0.37 H new ATOM 0 HA ALA A 44 -13.703 -7.210 6.984 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -14.399 -7.895 9.280 1.00 0.42 H new ATOM 0 HB2 ALA A 44 -14.541 -9.275 8.166 1.00 0.42 H new ATOM 0 HB3 ALA A 44 -13.159 -9.171 9.282 1.00 0.42 H new ATOM 645 N THR A 45 -10.853 -7.395 8.521 1.00 0.31 N ATOM 646 CA THR A 45 -9.809 -6.550 9.167 1.00 0.38 C ATOM 647 C THR A 45 -8.441 -6.820 8.536 1.00 0.33 C ATOM 648 O THR A 45 -8.124 -7.932 8.168 1.00 0.31 O ATOM 649 CB THR A 45 -9.813 -6.974 10.638 1.00 0.45 C ATOM 650 OG1 THR A 45 -8.841 -6.221 11.349 1.00 0.57 O ATOM 651 CG2 THR A 45 -9.488 -8.465 10.748 1.00 0.51 C ATOM 0 H THR A 45 -10.566 -8.350 8.308 1.00 0.31 H new ATOM 0 HA THR A 45 -10.008 -5.485 9.047 1.00 0.38 H new ATOM 0 HB THR A 45 -10.799 -6.790 11.064 1.00 0.45 H new ATOM 0 HG1 THR A 45 -8.844 -6.490 12.291 1.00 0.57 H new ATOM 0 HG21 THR A 45 -9.492 -8.762 11.797 1.00 0.51 H new ATOM 0 HG22 THR A 45 -10.237 -9.042 10.205 1.00 0.51 H new ATOM 0 HG23 THR A 45 -8.503 -8.655 10.321 1.00 0.51 H new ATOM 659 N CYS A 46 -7.627 -5.808 8.418 1.00 0.39 N ATOM 660 CA CYS A 46 -6.274 -6.001 7.822 1.00 0.39 C ATOM 661 C CYS A 46 -5.311 -6.538 8.882 1.00 0.39 C ATOM 662 O CYS A 46 -5.600 -6.502 10.062 1.00 0.47 O ATOM 663 CB CYS A 46 -5.829 -4.605 7.375 1.00 0.41 C ATOM 664 SG CYS A 46 -6.114 -4.397 5.599 1.00 0.47 S ATOM 0 H CYS A 46 -7.840 -4.854 8.709 1.00 0.39 H new ATOM 0 HA CYS A 46 -6.287 -6.712 6.996 1.00 0.39 H new ATOM 0 HB2 CYS A 46 -6.378 -3.845 7.930 1.00 0.41 H new ATOM 0 HB3 CYS A 46 -4.772 -4.463 7.600 1.00 0.41 H new ATOM 669 N PRO A 47 -4.186 -7.003 8.419 1.00 0.39 N ATOM 670 CA PRO A 47 -3.144 -7.538 9.329 1.00 0.41 C ATOM 671 C PRO A 47 -2.515 -6.400 10.131 1.00 0.43 C ATOM 672 O PRO A 47 -2.951 -5.268 10.061 1.00 0.45 O ATOM 673 CB PRO A 47 -2.133 -8.175 8.378 1.00 0.46 C ATOM 674 CG PRO A 47 -2.327 -7.464 7.078 1.00 0.47 C ATOM 675 CD PRO A 47 -3.780 -7.072 7.011 1.00 0.45 C ATOM 0 HA PRO A 47 -3.527 -8.248 10.062 1.00 0.41 H new ATOM 0 HB2 PRO A 47 -1.114 -8.054 8.746 1.00 0.46 H new ATOM 0 HB3 PRO A 47 -2.309 -9.245 8.273 1.00 0.46 H new ATOM 0 HG2 PRO A 47 -1.686 -6.585 7.019 1.00 0.47 H new ATOM 0 HG3 PRO A 47 -2.061 -8.109 6.241 1.00 0.47 H new ATOM 0 HD2 PRO A 47 -3.914 -6.114 6.508 1.00 0.45 H new ATOM 0 HD3 PRO A 47 -4.368 -7.806 6.460 1.00 0.45 H new ATOM 683 N GLN A 48 -1.511 -6.701 10.906 1.00 0.45 N ATOM 684 CA GLN A 48 -0.846 -5.665 11.733 1.00 0.49 C ATOM 685 C GLN A 48 -0.201 -4.604 10.848 1.00 0.39 C ATOM 686 O GLN A 48 0.996 -4.398 10.864 1.00 0.48 O ATOM 687 CB GLN A 48 0.214 -6.407 12.538 1.00 0.61 C ATOM 688 CG GLN A 48 -0.115 -6.305 14.027 1.00 0.70 C ATOM 689 CD GLN A 48 0.609 -7.419 14.782 1.00 0.81 C ATOM 690 OE1 GLN A 48 -0.016 -8.271 15.380 1.00 0.94 O ATOM 691 NE2 GLN A 48 1.913 -7.449 14.777 1.00 0.86 N ATOM 0 H GLN A 48 -1.119 -7.638 11.000 1.00 0.45 H new ATOM 0 HA GLN A 48 -1.555 -5.147 12.378 1.00 0.49 H new ATOM 0 HB2 GLN A 48 0.252 -7.453 12.234 1.00 0.61 H new ATOM 0 HB3 GLN A 48 1.199 -5.982 12.342 1.00 0.61 H new ATOM 0 HG2 GLN A 48 0.189 -5.332 14.412 1.00 0.70 H new ATOM 0 HG3 GLN A 48 -1.191 -6.386 14.180 1.00 0.70 H new ATOM 0 HE21 GLN A 48 2.438 -6.733 14.274 1.00 0.86 H new ATOM 0 HE22 GLN A 48 2.408 -8.188 15.276 1.00 0.86 H new ATOM 700 N PHE A 49 -0.995 -3.942 10.075 1.00 0.31 N ATOM 701 CA PHE A 49 -0.471 -2.888 9.165 1.00 0.24 C ATOM 702 C PHE A 49 0.515 -1.976 9.901 1.00 0.25 C ATOM 703 O PHE A 49 0.129 -1.161 10.714 1.00 0.37 O ATOM 704 CB PHE A 49 -1.710 -2.103 8.755 1.00 0.25 C ATOM 705 CG PHE A 49 -1.538 -1.589 7.356 1.00 0.22 C ATOM 706 CD1 PHE A 49 -1.710 -2.455 6.273 1.00 0.28 C ATOM 707 CD2 PHE A 49 -1.212 -0.247 7.142 1.00 0.26 C ATOM 708 CE1 PHE A 49 -1.562 -1.977 4.970 1.00 0.33 C ATOM 709 CE2 PHE A 49 -1.060 0.230 5.839 1.00 0.30 C ATOM 710 CZ PHE A 49 -1.237 -0.635 4.754 1.00 0.31 C ATOM 0 H PHE A 49 -2.004 -4.084 10.029 1.00 0.31 H new ATOM 0 HA PHE A 49 0.069 -3.304 8.314 1.00 0.24 H new ATOM 0 HB2 PHE A 49 -2.593 -2.740 8.814 1.00 0.25 H new ATOM 0 HB3 PHE A 49 -1.870 -1.272 9.442 1.00 0.25 H new ATOM 0 HD1 PHE A 49 -1.957 -3.492 6.444 1.00 0.28 H new ATOM 0 HD2 PHE A 49 -1.078 0.419 7.982 1.00 0.26 H new ATOM 0 HE1 PHE A 49 -1.698 -2.643 4.131 1.00 0.33 H new ATOM 0 HE2 PHE A 49 -0.806 1.266 5.669 1.00 0.30 H new ATOM 0 HZ PHE A 49 -1.122 -0.265 3.746 1.00 0.31 H new ATOM 720 N ARG A 50 1.785 -2.101 9.620 1.00 0.22 N ATOM 721 CA ARG A 50 2.783 -1.230 10.306 1.00 0.21 C ATOM 722 C ARG A 50 4.093 -1.183 9.518 1.00 0.24 C ATOM 723 O ARG A 50 4.283 -1.907 8.561 1.00 0.28 O ATOM 724 CB ARG A 50 3.005 -1.877 11.675 1.00 0.30 C ATOM 725 CG ARG A 50 3.652 -3.251 11.494 1.00 0.43 C ATOM 726 CD ARG A 50 3.174 -4.192 12.602 1.00 0.66 C ATOM 727 NE ARG A 50 4.358 -4.379 13.485 1.00 0.72 N ATOM 728 CZ ARG A 50 4.398 -5.383 14.315 1.00 0.91 C ATOM 729 NH1 ARG A 50 4.886 -6.530 13.928 1.00 1.20 N ATOM 730 NH2 ARG A 50 3.947 -5.242 15.531 1.00 0.85 N ATOM 0 H ARG A 50 2.173 -2.764 8.949 1.00 0.22 H new ATOM 0 HA ARG A 50 2.432 -0.201 10.391 1.00 0.21 H new ATOM 0 HB2 ARG A 50 3.643 -1.242 12.290 1.00 0.30 H new ATOM 0 HB3 ARG A 50 2.055 -1.977 12.199 1.00 0.30 H new ATOM 0 HG2 ARG A 50 3.393 -3.661 10.518 1.00 0.43 H new ATOM 0 HG3 ARG A 50 4.738 -3.160 11.523 1.00 0.43 H new ATOM 0 HD2 ARG A 50 2.336 -3.762 13.151 1.00 0.66 H new ATOM 0 HD3 ARG A 50 2.833 -5.143 12.193 1.00 0.66 H new ATOM 0 HE ARG A 50 5.137 -3.722 13.440 1.00 0.72 H new ATOM 0 HH11 ARG A 50 5.236 -6.640 12.976 1.00 1.20 H new ATOM 0 HH12 ARG A 50 4.917 -7.316 14.577 1.00 1.20 H new ATOM 0 HH21 ARG A 50 3.563 -4.346 15.832 1.00 0.85 H new ATOM 0 HH22 ARG A 50 3.978 -6.028 16.181 1.00 0.85 H new ATOM 744 N SER A 51 4.998 -0.333 9.921 1.00 0.34 N ATOM 745 CA SER A 51 6.308 -0.220 9.212 1.00 0.51 C ATOM 746 C SER A 51 7.250 -1.379 9.574 1.00 0.59 C ATOM 747 O SER A 51 8.455 -1.230 9.552 1.00 0.79 O ATOM 748 CB SER A 51 6.889 1.110 9.687 1.00 0.67 C ATOM 749 OG SER A 51 7.261 0.998 11.055 1.00 0.68 O ATOM 0 H SER A 51 4.886 0.294 10.718 1.00 0.34 H new ATOM 0 HA SER A 51 6.185 -0.264 8.130 1.00 0.51 H new ATOM 0 HB2 SER A 51 7.756 1.378 9.083 1.00 0.67 H new ATOM 0 HB3 SER A 51 6.155 1.906 9.562 1.00 0.67 H new ATOM 0 HG SER A 51 7.636 1.849 11.363 1.00 0.68 H new ATOM 755 N ASN A 52 6.728 -2.529 9.906 1.00 0.53 N ATOM 756 CA ASN A 52 7.618 -3.670 10.261 1.00 0.69 C ATOM 757 C ASN A 52 7.388 -4.837 9.294 1.00 0.61 C ATOM 758 O ASN A 52 7.760 -5.963 9.559 1.00 0.72 O ATOM 759 CB ASN A 52 7.211 -4.050 11.684 1.00 0.85 C ATOM 760 CG ASN A 52 8.296 -4.924 12.314 1.00 0.93 C ATOM 761 OD1 ASN A 52 9.375 -5.060 11.774 1.00 1.07 O ATOM 762 ND2 ASN A 52 8.051 -5.526 13.446 1.00 0.88 N ATOM 0 H ASN A 52 5.728 -2.727 9.947 1.00 0.53 H new ATOM 0 HA ASN A 52 8.676 -3.415 10.196 1.00 0.69 H new ATOM 0 HB2 ASN A 52 7.062 -3.151 12.282 1.00 0.85 H new ATOM 0 HB3 ASN A 52 6.262 -4.585 11.670 1.00 0.85 H new ATOM 0 HD21 ASN A 52 8.766 -6.111 13.878 1.00 0.88 H new ATOM 0 HD22 ASN A 52 7.144 -5.411 13.899 1.00 0.88 H new ATOM 769 N TYR A 53 6.788 -4.568 8.166 1.00 0.48 N ATOM 770 CA TYR A 53 6.539 -5.641 7.165 1.00 0.41 C ATOM 771 C TYR A 53 7.431 -5.399 5.943 1.00 0.37 C ATOM 772 O TYR A 53 8.430 -4.713 6.025 1.00 0.44 O ATOM 773 CB TYR A 53 5.057 -5.492 6.794 1.00 0.33 C ATOM 774 CG TYR A 53 4.210 -6.301 7.749 1.00 0.33 C ATOM 775 CD1 TYR A 53 4.573 -7.615 8.064 1.00 0.38 C ATOM 776 CD2 TYR A 53 3.059 -5.737 8.318 1.00 0.38 C ATOM 777 CE1 TYR A 53 3.790 -8.367 8.948 1.00 0.42 C ATOM 778 CE2 TYR A 53 2.276 -6.491 9.202 1.00 0.43 C ATOM 779 CZ TYR A 53 2.642 -7.804 9.517 1.00 0.43 C ATOM 780 OH TYR A 53 1.870 -8.545 10.390 1.00 0.49 O ATOM 0 H TYR A 53 6.457 -3.642 7.894 1.00 0.48 H new ATOM 0 HA TYR A 53 6.760 -6.640 7.540 1.00 0.41 H new ATOM 0 HB2 TYR A 53 4.766 -4.442 6.834 1.00 0.33 H new ATOM 0 HB3 TYR A 53 4.892 -5.830 5.771 1.00 0.33 H new ATOM 0 HD1 TYR A 53 5.459 -8.050 7.625 1.00 0.38 H new ATOM 0 HD2 TYR A 53 2.777 -4.723 8.075 1.00 0.38 H new ATOM 0 HE1 TYR A 53 4.072 -9.381 9.191 1.00 0.42 H new ATOM 0 HE2 TYR A 53 1.389 -6.058 9.641 1.00 0.43 H new ATOM 0 HH TYR A 53 2.439 -9.185 10.867 1.00 0.49 H new ATOM 790 N ARG A 54 7.077 -5.936 4.809 1.00 0.29 N ATOM 791 CA ARG A 54 7.907 -5.708 3.592 1.00 0.28 C ATOM 792 C ARG A 54 7.072 -4.954 2.557 1.00 0.26 C ATOM 793 O ARG A 54 7.591 -4.294 1.678 1.00 0.35 O ATOM 794 CB ARG A 54 8.269 -7.104 3.084 1.00 0.30 C ATOM 795 CG ARG A 54 8.974 -7.880 4.196 1.00 0.32 C ATOM 796 CD ARG A 54 10.414 -7.384 4.336 1.00 0.31 C ATOM 797 NE ARG A 54 10.422 -6.565 5.577 1.00 0.30 N ATOM 798 CZ ARG A 54 10.953 -7.047 6.667 1.00 0.31 C ATOM 799 NH1 ARG A 54 12.250 -7.117 6.783 1.00 0.35 N ATOM 800 NH2 ARG A 54 10.187 -7.462 7.639 1.00 0.51 N ATOM 0 H ARG A 54 6.253 -6.521 4.672 1.00 0.29 H new ATOM 0 HA ARG A 54 8.801 -5.117 3.791 1.00 0.28 H new ATOM 0 HB2 ARG A 54 7.370 -7.633 2.769 1.00 0.30 H new ATOM 0 HB3 ARG A 54 8.917 -7.029 2.210 1.00 0.30 H new ATOM 0 HG2 ARG A 54 8.441 -7.750 5.138 1.00 0.32 H new ATOM 0 HG3 ARG A 54 8.967 -8.946 3.970 1.00 0.32 H new ATOM 0 HD2 ARG A 54 11.113 -8.217 4.409 1.00 0.31 H new ATOM 0 HD3 ARG A 54 10.713 -6.792 3.471 1.00 0.31 H new ATOM 0 HE ARG A 54 10.014 -5.630 5.576 1.00 0.30 H new ATOM 0 HH11 ARG A 54 12.848 -6.795 6.022 1.00 0.35 H new ATOM 0 HH12 ARG A 54 12.666 -7.494 7.635 1.00 0.35 H new ATOM 0 HH21 ARG A 54 9.173 -7.410 7.547 1.00 0.51 H new ATOM 0 HH22 ARG A 54 10.603 -7.839 8.491 1.00 0.51 H new ATOM 814 N SER A 55 5.775 -5.037 2.676 1.00 0.24 N ATOM 815 CA SER A 55 4.872 -4.318 1.733 1.00 0.24 C ATOM 816 C SER A 55 3.419 -4.616 2.101 1.00 0.23 C ATOM 817 O SER A 55 2.887 -5.661 1.782 1.00 0.27 O ATOM 818 CB SER A 55 5.201 -4.852 0.336 1.00 0.28 C ATOM 819 OG SER A 55 6.110 -5.940 0.437 1.00 0.33 O ATOM 0 H SER A 55 5.297 -5.579 3.396 1.00 0.24 H new ATOM 0 HA SER A 55 5.009 -3.237 1.774 1.00 0.24 H new ATOM 0 HB2 SER A 55 4.288 -5.175 -0.164 1.00 0.28 H new ATOM 0 HB3 SER A 55 5.635 -4.059 -0.273 1.00 0.28 H new ATOM 0 HG SER A 55 6.316 -6.278 -0.459 1.00 0.33 H new ATOM 825 N LEU A 56 2.772 -3.703 2.768 1.00 0.22 N ATOM 826 CA LEU A 56 1.350 -3.935 3.160 1.00 0.22 C ATOM 827 C LEU A 56 0.466 -2.874 2.522 1.00 0.22 C ATOM 828 O LEU A 56 0.700 -1.690 2.657 1.00 0.28 O ATOM 829 CB LEU A 56 1.305 -3.818 4.689 1.00 0.24 C ATOM 830 CG LEU A 56 1.026 -5.191 5.308 1.00 0.24 C ATOM 831 CD1 LEU A 56 -0.262 -5.764 4.716 1.00 0.30 C ATOM 832 CD2 LEU A 56 2.188 -6.140 5.007 1.00 0.26 C ATOM 0 H LEU A 56 3.163 -2.807 3.059 1.00 0.22 H new ATOM 0 HA LEU A 56 0.991 -4.910 2.830 1.00 0.22 H new ATOM 0 HB2 LEU A 56 2.252 -3.427 5.061 1.00 0.24 H new ATOM 0 HB3 LEU A 56 0.530 -3.111 4.986 1.00 0.24 H new ATOM 0 HG LEU A 56 0.918 -5.083 6.387 1.00 0.24 H new ATOM 0 HD11 LEU A 56 -0.461 -6.741 5.156 1.00 0.30 H new ATOM 0 HD12 LEU A 56 -1.092 -5.092 4.933 1.00 0.30 H new ATOM 0 HD13 LEU A 56 -0.152 -5.868 3.637 1.00 0.30 H new ATOM 0 HD21 LEU A 56 1.985 -7.115 5.449 1.00 0.26 H new ATOM 0 HD22 LEU A 56 2.300 -6.247 3.928 1.00 0.26 H new ATOM 0 HD23 LEU A 56 3.108 -5.735 5.429 1.00 0.26 H new ATOM 844 N LEU A 57 -0.546 -3.287 1.818 1.00 0.19 N ATOM 845 CA LEU A 57 -1.439 -2.296 1.169 1.00 0.17 C ATOM 846 C LEU A 57 -2.849 -2.437 1.722 1.00 0.16 C ATOM 847 O LEU A 57 -3.561 -3.361 1.398 1.00 0.26 O ATOM 848 CB LEU A 57 -1.421 -2.654 -0.317 1.00 0.18 C ATOM 849 CG LEU A 57 -2.374 -1.722 -1.062 1.00 0.20 C ATOM 850 CD1 LEU A 57 -2.070 -0.276 -0.670 1.00 0.29 C ATOM 851 CD2 LEU A 57 -2.183 -1.898 -2.568 1.00 0.28 C ATOM 0 H LEU A 57 -0.792 -4.265 1.665 1.00 0.19 H new ATOM 0 HA LEU A 57 -1.116 -1.270 1.345 1.00 0.17 H new ATOM 0 HB2 LEU A 57 -0.411 -2.558 -0.716 1.00 0.18 H new ATOM 0 HB3 LEU A 57 -1.722 -3.692 -0.458 1.00 0.18 H new ATOM 0 HG LEU A 57 -3.405 -1.962 -0.800 1.00 0.20 H new ATOM 0 HD11 LEU A 57 -2.747 0.394 -1.199 1.00 0.29 H new ATOM 0 HD12 LEU A 57 -2.205 -0.154 0.405 1.00 0.29 H new ATOM 0 HD13 LEU A 57 -1.041 -0.036 -0.936 1.00 0.29 H new ATOM 0 HD21 LEU A 57 -2.863 -1.233 -3.101 1.00 0.28 H new ATOM 0 HD22 LEU A 57 -1.154 -1.655 -2.835 1.00 0.28 H new ATOM 0 HD23 LEU A 57 -2.395 -2.931 -2.843 1.00 0.28 H new ATOM 863 N CYS A 58 -3.257 -1.521 2.549 1.00 0.26 N ATOM 864 CA CYS A 58 -4.626 -1.593 3.123 1.00 0.26 C ATOM 865 C CYS A 58 -5.264 -0.204 3.085 1.00 0.25 C ATOM 866 O CYS A 58 -4.585 0.805 3.120 1.00 0.36 O ATOM 867 CB CYS A 58 -4.436 -2.077 4.565 1.00 0.30 C ATOM 868 SG CYS A 58 -6.055 -2.393 5.318 1.00 0.36 S ATOM 0 H CYS A 58 -2.700 -0.723 2.854 1.00 0.26 H new ATOM 0 HA CYS A 58 -5.283 -2.264 2.569 1.00 0.26 H new ATOM 0 HB2 CYS A 58 -3.834 -2.986 4.578 1.00 0.30 H new ATOM 0 HB3 CYS A 58 -3.895 -1.328 5.143 1.00 0.30 H new ATOM 873 N CYS A 59 -6.559 -0.145 2.998 1.00 0.21 N ATOM 874 CA CYS A 59 -7.242 1.176 2.940 1.00 0.24 C ATOM 875 C CYS A 59 -8.174 1.338 4.142 1.00 0.32 C ATOM 876 O CYS A 59 -8.789 2.369 4.334 1.00 0.44 O ATOM 877 CB CYS A 59 -8.034 1.134 1.634 1.00 0.23 C ATOM 878 SG CYS A 59 -6.893 0.876 0.254 1.00 0.33 S ATOM 0 H CYS A 59 -7.178 -0.955 2.964 1.00 0.21 H new ATOM 0 HA CYS A 59 -6.548 2.016 2.971 1.00 0.24 H new ATOM 0 HB2 CYS A 59 -8.771 0.331 1.667 1.00 0.23 H new ATOM 0 HB3 CYS A 59 -8.583 2.065 1.498 1.00 0.23 H new ATOM 883 N THR A 60 -8.270 0.327 4.961 1.00 0.34 N ATOM 884 CA THR A 60 -9.147 0.417 6.163 1.00 0.45 C ATOM 885 C THR A 60 -10.565 0.851 5.766 1.00 0.43 C ATOM 886 O THR A 60 -11.339 1.293 6.592 1.00 0.52 O ATOM 887 CB THR A 60 -8.482 1.468 7.065 1.00 0.55 C ATOM 888 OG1 THR A 60 -8.859 2.766 6.632 1.00 0.52 O ATOM 889 CG2 THR A 60 -6.952 1.328 7.003 1.00 0.61 C ATOM 0 H THR A 60 -7.778 -0.559 4.850 1.00 0.34 H new ATOM 0 HA THR A 60 -9.250 -0.543 6.669 1.00 0.45 H new ATOM 0 HB THR A 60 -8.809 1.314 8.093 1.00 0.55 H new ATOM 0 HG1 THR A 60 -8.145 3.402 6.846 1.00 0.52 H new ATOM 0 HG21 THR A 60 -6.492 2.078 7.646 1.00 0.61 H new ATOM 0 HG22 THR A 60 -6.664 0.333 7.342 1.00 0.61 H new ATOM 0 HG23 THR A 60 -6.615 1.474 5.977 1.00 0.61 H new ATOM 897 N THR A 61 -10.917 0.728 4.509 1.00 0.38 N ATOM 898 CA THR A 61 -12.290 1.134 4.074 1.00 0.37 C ATOM 899 C THR A 61 -12.799 0.231 2.943 1.00 0.35 C ATOM 900 O THR A 61 -12.208 -0.782 2.623 1.00 0.39 O ATOM 901 CB THR A 61 -12.155 2.571 3.572 1.00 0.39 C ATOM 902 OG1 THR A 61 -11.044 2.668 2.691 1.00 0.42 O ATOM 903 CG2 THR A 61 -11.956 3.518 4.756 1.00 0.51 C ATOM 0 H THR A 61 -10.316 0.366 3.769 1.00 0.38 H new ATOM 0 HA THR A 61 -13.003 1.049 4.894 1.00 0.37 H new ATOM 0 HB THR A 61 -13.064 2.850 3.039 1.00 0.39 H new ATOM 0 HG1 THR A 61 -10.213 2.669 3.211 1.00 0.42 H new ATOM 0 HG21 THR A 61 -11.860 4.541 4.392 1.00 0.51 H new ATOM 0 HG22 THR A 61 -12.814 3.450 5.425 1.00 0.51 H new ATOM 0 HG23 THR A 61 -11.051 3.239 5.297 1.00 0.51 H new ATOM 911 N ASP A 62 -13.897 0.601 2.336 1.00 0.32 N ATOM 912 CA ASP A 62 -14.463 -0.216 1.223 1.00 0.33 C ATOM 913 C ASP A 62 -14.290 0.516 -0.115 1.00 0.28 C ATOM 914 O ASP A 62 -14.301 1.730 -0.172 1.00 0.36 O ATOM 915 CB ASP A 62 -15.948 -0.356 1.566 1.00 0.39 C ATOM 916 CG ASP A 62 -16.583 1.034 1.668 1.00 0.39 C ATOM 917 OD1 ASP A 62 -16.442 1.799 0.729 1.00 0.52 O ATOM 918 OD2 ASP A 62 -17.198 1.310 2.685 1.00 0.51 O ATOM 0 H ASP A 62 -14.429 1.440 2.566 1.00 0.32 H new ATOM 0 HA ASP A 62 -13.968 -1.182 1.121 1.00 0.33 H new ATOM 0 HB2 ASP A 62 -16.455 -0.944 0.801 1.00 0.39 H new ATOM 0 HB3 ASP A 62 -16.065 -0.891 2.508 1.00 0.39 H new ATOM 923 N ASN A 63 -14.127 -0.208 -1.193 1.00 0.24 N ATOM 924 CA ASN A 63 -13.957 0.457 -2.515 1.00 0.23 C ATOM 925 C ASN A 63 -12.768 1.415 -2.461 1.00 0.24 C ATOM 926 O ASN A 63 -12.887 2.588 -2.753 1.00 0.35 O ATOM 927 CB ASN A 63 -15.257 1.226 -2.749 1.00 0.26 C ATOM 928 CG ASN A 63 -16.425 0.244 -2.835 1.00 0.29 C ATOM 929 OD1 ASN A 63 -16.970 -0.161 -1.827 1.00 0.37 O ATOM 930 ND2 ASN A 63 -16.837 -0.159 -4.006 1.00 0.37 N ATOM 0 H ASN A 63 -14.105 -1.228 -1.213 1.00 0.24 H new ATOM 0 HA ASN A 63 -13.763 -0.255 -3.317 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -15.423 1.934 -1.938 1.00 0.26 H new ATOM 0 HB3 ASN A 63 -15.188 1.806 -3.669 1.00 0.26 H new ATOM 0 HD21 ASN A 63 -17.616 -0.814 -4.075 1.00 0.37 H new ATOM 0 HD22 ASN A 63 -16.380 0.181 -4.852 1.00 0.37 H new ATOM 937 N CYS A 64 -11.626 0.923 -2.078 1.00 0.26 N ATOM 938 CA CYS A 64 -10.423 1.795 -1.989 1.00 0.26 C ATOM 939 C CYS A 64 -10.107 2.428 -3.345 1.00 0.28 C ATOM 940 O CYS A 64 -9.696 3.569 -3.427 1.00 0.36 O ATOM 941 CB CYS A 64 -9.295 0.856 -1.571 1.00 0.31 C ATOM 942 SG CYS A 64 -7.782 1.809 -1.300 1.00 0.36 S ATOM 0 H CYS A 64 -11.472 -0.052 -1.821 1.00 0.26 H new ATOM 0 HA CYS A 64 -10.567 2.617 -1.287 1.00 0.26 H new ATOM 0 HB2 CYS A 64 -9.570 0.324 -0.660 1.00 0.31 H new ATOM 0 HB3 CYS A 64 -9.130 0.104 -2.342 1.00 0.31 H new ATOM 947 N ASN A 65 -10.277 1.695 -4.411 1.00 0.27 N ATOM 948 CA ASN A 65 -9.963 2.265 -5.757 1.00 0.33 C ATOM 949 C ASN A 65 -11.157 3.061 -6.295 1.00 0.32 C ATOM 950 O ASN A 65 -12.242 2.541 -6.460 1.00 0.46 O ATOM 951 CB ASN A 65 -9.668 1.058 -6.651 1.00 0.50 C ATOM 952 CG ASN A 65 -9.047 1.533 -7.965 1.00 0.66 C ATOM 953 OD1 ASN A 65 -9.538 2.454 -8.585 1.00 1.21 O ATOM 954 ND2 ASN A 65 -7.979 0.935 -8.420 1.00 0.79 N ATOM 0 H ASN A 65 -10.617 0.733 -4.412 1.00 0.27 H new ATOM 0 HA ASN A 65 -9.119 2.954 -5.720 1.00 0.33 H new ATOM 0 HB2 ASN A 65 -8.989 0.373 -6.143 1.00 0.50 H new ATOM 0 HB3 ASN A 65 -10.587 0.507 -6.850 1.00 0.50 H new ATOM 0 HD21 ASN A 65 -7.557 1.242 -9.297 1.00 0.79 H new ATOM 0 HD22 ASN A 65 -7.567 0.161 -7.899 1.00 0.79 H new ATOM 961 N HIS A 66 -10.955 4.321 -6.578 1.00 0.45 N ATOM 962 CA HIS A 66 -12.048 5.160 -7.112 1.00 0.60 C ATOM 963 C HIS A 66 -11.470 6.399 -7.802 1.00 0.68 C ATOM 964 O HIS A 66 -10.631 6.231 -8.672 1.00 0.67 O ATOM 965 CB HIS A 66 -12.890 5.559 -5.898 1.00 0.83 C ATOM 966 CG HIS A 66 -14.324 5.749 -6.317 1.00 1.06 C ATOM 967 ND1 HIS A 66 -14.722 5.688 -7.643 1.00 1.21 N ATOM 968 CD2 HIS A 66 -15.465 5.997 -5.595 1.00 1.30 C ATOM 969 CE1 HIS A 66 -16.051 5.895 -7.679 1.00 1.40 C ATOM 970 NE2 HIS A 66 -16.555 6.088 -6.457 1.00 1.48 N ATOM 971 OXT HIS A 66 -11.872 7.493 -7.445 1.00 0.84 O ATOM 0 H HIS A 66 -10.064 4.803 -6.457 1.00 0.45 H new ATOM 0 HA HIS A 66 -12.646 4.631 -7.854 1.00 0.60 H new ATOM 0 HB2 HIS A 66 -12.824 4.790 -5.129 1.00 0.83 H new ATOM 0 HB3 HIS A 66 -12.503 6.480 -5.462 1.00 0.83 H new ATOM 0 HD2 HIS A 66 -15.510 6.105 -4.521 1.00 1.30 H new ATOM 0 HE1 HIS A 66 -16.639 5.904 -8.585 1.00 1.40 H new ATOM 0 HE2 HIS A 66 -17.529 6.264 -6.209 1.00 1.48 H new TER 979 HIS A 66 ATOM 980 N ARG B 1 18.378 3.754 -2.486 1.00 0.43 N ATOM 981 CA ARG B 1 18.982 4.419 -3.678 1.00 0.43 C ATOM 982 C ARG B 1 17.900 4.760 -4.698 1.00 0.42 C ATOM 983 O ARG B 1 17.807 5.877 -5.166 1.00 0.51 O ATOM 984 CB ARG B 1 19.957 3.399 -4.264 1.00 0.44 C ATOM 985 CG ARG B 1 21.176 3.283 -3.352 1.00 0.49 C ATOM 986 CD ARG B 1 20.955 2.146 -2.354 1.00 0.67 C ATOM 987 NE ARG B 1 22.311 1.836 -1.826 1.00 0.91 N ATOM 988 CZ ARG B 1 22.439 1.187 -0.703 1.00 1.28 C ATOM 989 NH1 ARG B 1 21.597 0.237 -0.402 1.00 1.34 N ATOM 990 NH2 ARG B 1 23.408 1.487 0.117 1.00 1.73 N ATOM 0 H1 ARG B 1 18.893 4.042 -1.630 1.00 0.43 H new ATOM 0 H2 ARG B 1 17.380 4.034 -2.401 1.00 0.43 H new ATOM 0 H3 ARG B 1 18.439 2.722 -2.596 1.00 0.43 H new ATOM 0 HA ARG B 1 19.481 5.351 -3.412 1.00 0.43 H new ATOM 0 HB2 ARG B 1 19.470 2.429 -4.364 1.00 0.44 H new ATOM 0 HB3 ARG B 1 20.265 3.706 -5.264 1.00 0.44 H new ATOM 0 HG2 ARG B 1 22.071 3.093 -3.945 1.00 0.49 H new ATOM 0 HG3 ARG B 1 21.338 4.221 -2.822 1.00 0.49 H new ATOM 0 HD2 ARG B 1 20.278 2.447 -1.554 1.00 0.67 H new ATOM 0 HD3 ARG B 1 20.510 1.276 -2.837 1.00 0.67 H new ATOM 0 HE ARG B 1 23.140 2.131 -2.342 1.00 0.91 H new ATOM 0 HH11 ARG B 1 20.840 0.003 -1.045 1.00 1.34 H new ATOM 0 HH12 ARG B 1 21.695 -0.272 0.476 1.00 1.34 H new ATOM 0 HH21 ARG B 1 24.066 2.230 -0.121 1.00 1.73 H new ATOM 0 HH22 ARG B 1 23.508 0.979 0.996 1.00 1.73 H new ATOM 1006 N THR B 2 17.085 3.809 -5.053 1.00 0.38 N ATOM 1007 CA THR B 2 16.023 4.100 -6.050 1.00 0.38 C ATOM 1008 C THR B 2 14.718 3.393 -5.703 1.00 0.36 C ATOM 1009 O THR B 2 14.640 2.595 -4.789 1.00 0.40 O ATOM 1010 CB THR B 2 16.572 3.578 -7.377 1.00 0.38 C ATOM 1011 OG1 THR B 2 17.291 2.372 -7.150 1.00 0.42 O ATOM 1012 CG2 THR B 2 17.493 4.625 -7.995 1.00 0.37 C ATOM 0 H THR B 2 17.108 2.852 -4.700 1.00 0.38 H new ATOM 0 HA THR B 2 15.791 5.165 -6.082 1.00 0.38 H new ATOM 0 HB THR B 2 15.747 3.380 -8.062 1.00 0.38 H new ATOM 0 HG1 THR B 2 17.642 2.035 -8.001 1.00 0.42 H new ATOM 0 HG21 THR B 2 17.884 4.252 -8.942 1.00 0.37 H new ATOM 0 HG22 THR B 2 16.933 5.544 -8.170 1.00 0.37 H new ATOM 0 HG23 THR B 2 18.320 4.828 -7.315 1.00 0.37 H new ATOM 1020 N CYS B 3 13.695 3.683 -6.453 1.00 0.31 N ATOM 1021 CA CYS B 3 12.373 3.045 -6.219 1.00 0.28 C ATOM 1022 C CYS B 3 11.970 2.274 -7.469 1.00 0.26 C ATOM 1023 O CYS B 3 12.448 2.542 -8.553 1.00 0.31 O ATOM 1024 CB CYS B 3 11.408 4.203 -5.968 1.00 0.33 C ATOM 1025 SG CYS B 3 11.375 4.583 -4.203 1.00 0.34 S ATOM 0 H CYS B 3 13.719 4.344 -7.229 1.00 0.31 H new ATOM 0 HA CYS B 3 12.380 2.346 -5.383 1.00 0.28 H new ATOM 0 HB2 CYS B 3 11.720 5.080 -6.535 1.00 0.33 H new ATOM 0 HB3 CYS B 3 10.408 3.939 -6.313 1.00 0.33 H new ATOM 1030 N LEU B 4 11.110 1.312 -7.332 1.00 0.25 N ATOM 1031 CA LEU B 4 10.700 0.524 -8.523 1.00 0.26 C ATOM 1032 C LEU B 4 9.181 0.586 -8.698 1.00 0.35 C ATOM 1033 O LEU B 4 8.447 0.800 -7.754 1.00 0.41 O ATOM 1034 CB LEU B 4 11.179 -0.888 -8.204 1.00 0.27 C ATOM 1035 CG LEU B 4 12.646 -0.837 -7.770 1.00 0.24 C ATOM 1036 CD1 LEU B 4 13.217 -2.253 -7.730 1.00 0.28 C ATOM 1037 CD2 LEU B 4 13.459 0.001 -8.758 1.00 0.21 C ATOM 0 H LEU B 4 10.674 1.036 -6.452 1.00 0.25 H new ATOM 0 HA LEU B 4 11.120 0.894 -9.458 1.00 0.26 H new ATOM 0 HB2 LEU B 4 10.568 -1.322 -7.412 1.00 0.27 H new ATOM 0 HB3 LEU B 4 11.068 -1.529 -9.079 1.00 0.27 H new ATOM 0 HG LEU B 4 12.704 -0.385 -6.780 1.00 0.24 H new ATOM 0 HD11 LEU B 4 14.262 -2.215 -7.421 1.00 0.28 H new ATOM 0 HD12 LEU B 4 12.650 -2.854 -7.019 1.00 0.28 H new ATOM 0 HD13 LEU B 4 13.148 -2.701 -8.721 1.00 0.28 H new ATOM 0 HD21 LEU B 4 14.501 0.030 -8.439 1.00 0.21 H new ATOM 0 HD22 LEU B 4 13.396 -0.444 -9.751 1.00 0.21 H new ATOM 0 HD23 LEU B 4 13.061 1.015 -8.789 1.00 0.21 H new ATOM 1049 N ILE B 5 8.701 0.430 -9.904 1.00 0.39 N ATOM 1050 CA ILE B 5 7.227 0.517 -10.132 1.00 0.48 C ATOM 1051 C ILE B 5 6.837 -0.158 -11.451 1.00 0.60 C ATOM 1052 O ILE B 5 5.770 -0.728 -11.570 1.00 0.62 O ATOM 1053 CB ILE B 5 6.899 2.020 -10.205 1.00 0.58 C ATOM 1054 CG1 ILE B 5 8.184 2.864 -10.241 1.00 0.65 C ATOM 1055 CG2 ILE B 5 6.067 2.425 -8.987 1.00 0.58 C ATOM 1056 CD1 ILE B 5 7.840 4.325 -10.530 1.00 0.79 C ATOM 0 H ILE B 5 9.261 0.247 -10.737 1.00 0.39 H new ATOM 0 HA ILE B 5 6.680 0.014 -9.335 1.00 0.48 H new ATOM 0 HB ILE B 5 6.336 2.201 -11.120 1.00 0.58 H new ATOM 0 HG12 ILE B 5 8.707 2.786 -9.288 1.00 0.65 H new ATOM 0 HG13 ILE B 5 8.859 2.482 -11.007 1.00 0.65 H new ATOM 0 HG21 ILE B 5 5.836 3.489 -9.041 1.00 0.58 H new ATOM 0 HG22 ILE B 5 5.139 1.853 -8.974 1.00 0.58 H new ATOM 0 HG23 ILE B 5 6.632 2.222 -8.077 1.00 0.58 H new ATOM 0 HD11 ILE B 5 8.755 4.916 -10.554 1.00 0.79 H new ATOM 0 HD12 ILE B 5 7.337 4.396 -11.494 1.00 0.79 H new ATOM 0 HD13 ILE B 5 7.182 4.705 -9.748 1.00 0.79 H new ATOM 1068 N SER B 6 7.679 -0.086 -12.446 1.00 0.71 N ATOM 1069 CA SER B 6 7.333 -0.710 -13.757 1.00 0.85 C ATOM 1070 C SER B 6 7.255 -2.232 -13.630 1.00 0.96 C ATOM 1071 O SER B 6 7.970 -2.831 -12.852 1.00 0.93 O ATOM 1072 CB SER B 6 8.468 -0.312 -14.699 1.00 0.76 C ATOM 1073 OG SER B 6 8.236 -0.885 -15.979 1.00 0.86 O ATOM 0 H SER B 6 8.588 0.376 -12.409 1.00 0.71 H new ATOM 0 HA SER B 6 6.361 -0.377 -14.120 1.00 0.85 H new ATOM 0 HB2 SER B 6 8.527 0.774 -14.779 1.00 0.76 H new ATOM 0 HB3 SER B 6 9.423 -0.655 -14.302 1.00 0.76 H new ATOM 0 HG SER B 6 8.961 -0.631 -16.587 1.00 0.86 H new ATOM 1079 N PRO B 7 6.380 -2.804 -14.414 1.00 1.16 N ATOM 1080 CA PRO B 7 6.191 -4.276 -14.407 1.00 1.32 C ATOM 1081 C PRO B 7 7.407 -4.972 -15.023 1.00 1.23 C ATOM 1082 O PRO B 7 7.614 -6.155 -14.842 1.00 1.43 O ATOM 1083 CB PRO B 7 4.946 -4.480 -15.266 1.00 1.52 C ATOM 1084 CG PRO B 7 4.891 -3.277 -16.153 1.00 1.51 C ATOM 1085 CD PRO B 7 5.496 -2.138 -15.376 1.00 1.35 C ATOM 0 HA PRO B 7 6.081 -4.692 -13.406 1.00 1.32 H new ATOM 0 HB2 PRO B 7 5.014 -5.398 -15.849 1.00 1.52 H new ATOM 0 HB3 PRO B 7 4.050 -4.559 -14.651 1.00 1.52 H new ATOM 0 HG2 PRO B 7 5.443 -3.452 -17.077 1.00 1.51 H new ATOM 0 HG3 PRO B 7 3.863 -3.050 -16.434 1.00 1.51 H new ATOM 0 HD2 PRO B 7 6.050 -1.460 -16.025 1.00 1.35 H new ATOM 0 HD3 PRO B 7 4.732 -1.545 -14.874 1.00 1.35 H new ATOM 1093 N SER B 8 8.216 -4.244 -15.745 1.00 0.97 N ATOM 1094 CA SER B 8 9.423 -4.864 -16.363 1.00 0.91 C ATOM 1095 C SER B 8 10.529 -5.004 -15.315 1.00 0.83 C ATOM 1096 O SER B 8 11.576 -5.566 -15.569 1.00 1.06 O ATOM 1097 CB SER B 8 9.844 -3.899 -17.471 1.00 0.78 C ATOM 1098 OG SER B 8 8.799 -3.799 -18.431 1.00 0.89 O ATOM 0 H SER B 8 8.094 -3.249 -15.933 1.00 0.97 H new ATOM 0 HA SER B 8 9.226 -5.862 -16.754 1.00 0.91 H new ATOM 0 HB2 SER B 8 10.062 -2.917 -17.050 1.00 0.78 H new ATOM 0 HB3 SER B 8 10.759 -4.252 -17.948 1.00 0.78 H new ATOM 0 HG SER B 8 9.066 -3.179 -19.142 1.00 0.89 H new ATOM 1104 N SER B 9 10.301 -4.498 -14.131 1.00 0.66 N ATOM 1105 CA SER B 9 11.333 -4.602 -13.056 1.00 0.63 C ATOM 1106 C SER B 9 12.542 -3.729 -13.393 1.00 0.66 C ATOM 1107 O SER B 9 13.614 -4.222 -13.684 1.00 0.84 O ATOM 1108 CB SER B 9 11.732 -6.076 -13.027 1.00 0.67 C ATOM 1109 OG SER B 9 11.710 -6.542 -11.686 1.00 0.74 O ATOM 0 H SER B 9 9.443 -4.016 -13.861 1.00 0.66 H new ATOM 0 HA SER B 9 10.955 -4.262 -12.092 1.00 0.63 H new ATOM 0 HB2 SER B 9 11.047 -6.662 -13.639 1.00 0.67 H new ATOM 0 HB3 SER B 9 12.728 -6.204 -13.452 1.00 0.67 H new ATOM 0 HG SER B 9 11.964 -7.488 -11.664 1.00 0.74 H new ATOM 1115 N THR B 10 12.382 -2.437 -13.348 1.00 0.60 N ATOM 1116 CA THR B 10 13.529 -1.539 -13.658 1.00 0.59 C ATOM 1117 C THR B 10 13.728 -0.529 -12.525 1.00 0.39 C ATOM 1118 O THR B 10 12.801 -0.199 -11.811 1.00 0.42 O ATOM 1119 CB THR B 10 13.138 -0.821 -14.949 1.00 0.84 C ATOM 1120 OG1 THR B 10 12.132 0.143 -14.662 1.00 0.85 O ATOM 1121 CG2 THR B 10 12.604 -1.841 -15.958 1.00 0.99 C ATOM 0 H THR B 10 11.510 -1.964 -13.111 1.00 0.60 H new ATOM 0 HA THR B 10 14.464 -2.089 -13.766 1.00 0.59 H new ATOM 0 HB THR B 10 14.010 -0.321 -15.371 1.00 0.84 H new ATOM 0 HG1 THR B 10 11.879 0.607 -15.487 1.00 0.85 H new ATOM 0 HG21 THR B 10 12.325 -1.330 -16.879 1.00 0.99 H new ATOM 0 HG22 THR B 10 13.377 -2.579 -16.173 1.00 0.99 H new ATOM 0 HG23 THR B 10 11.730 -2.341 -15.542 1.00 0.99 H new ATOM 1129 N PRO B 11 14.942 -0.072 -12.405 1.00 0.32 N ATOM 1130 CA PRO B 11 15.291 0.915 -11.352 1.00 0.25 C ATOM 1131 C PRO B 11 14.664 2.288 -11.633 1.00 0.33 C ATOM 1132 O PRO B 11 14.813 2.847 -12.701 1.00 0.45 O ATOM 1133 CB PRO B 11 16.815 0.985 -11.424 1.00 0.33 C ATOM 1134 CG PRO B 11 17.158 0.548 -12.811 1.00 0.35 C ATOM 1135 CD PRO B 11 16.097 -0.434 -13.231 1.00 0.51 C ATOM 0 HA PRO B 11 14.920 0.627 -10.369 1.00 0.25 H new ATOM 0 HB2 PRO B 11 17.173 1.996 -11.229 1.00 0.33 H new ATOM 0 HB3 PRO B 11 17.275 0.335 -10.680 1.00 0.33 H new ATOM 0 HG2 PRO B 11 17.186 1.401 -13.489 1.00 0.35 H new ATOM 0 HG3 PRO B 11 18.145 0.086 -12.838 1.00 0.35 H new ATOM 0 HD2 PRO B 11 15.871 -0.349 -14.294 1.00 0.51 H new ATOM 0 HD3 PRO B 11 16.410 -1.463 -13.053 1.00 0.51 H new ATOM 1143 N GLN B 12 13.978 2.839 -10.664 1.00 0.38 N ATOM 1144 CA GLN B 12 13.355 4.181 -10.842 1.00 0.53 C ATOM 1145 C GLN B 12 13.681 5.049 -9.618 1.00 0.52 C ATOM 1146 O GLN B 12 12.952 5.067 -8.645 1.00 0.58 O ATOM 1147 CB GLN B 12 11.850 3.917 -10.939 1.00 0.68 C ATOM 1148 CG GLN B 12 11.212 4.943 -11.879 1.00 0.86 C ATOM 1149 CD GLN B 12 10.706 4.236 -13.139 1.00 1.08 C ATOM 1150 OE1 GLN B 12 10.496 3.039 -13.134 1.00 1.31 O ATOM 1151 NE2 GLN B 12 10.503 4.930 -14.226 1.00 1.15 N ATOM 0 H GLN B 12 13.823 2.411 -9.751 1.00 0.38 H new ATOM 0 HA GLN B 12 13.720 4.706 -11.725 1.00 0.53 H new ATOM 0 HB2 GLN B 12 11.670 2.908 -11.309 1.00 0.68 H new ATOM 0 HB3 GLN B 12 11.394 3.980 -9.951 1.00 0.68 H new ATOM 0 HG2 GLN B 12 10.387 5.449 -11.377 1.00 0.86 H new ATOM 0 HG3 GLN B 12 11.940 5.709 -12.146 1.00 0.86 H new ATOM 0 HE21 GLN B 12 10.679 5.935 -14.230 1.00 1.15 H new ATOM 0 HE22 GLN B 12 10.168 4.468 -15.071 1.00 1.15 H new ATOM 1160 N THR B 13 14.777 5.756 -9.659 1.00 0.51 N ATOM 1161 CA THR B 13 15.173 6.614 -8.512 1.00 0.49 C ATOM 1162 C THR B 13 14.048 7.552 -8.120 1.00 0.44 C ATOM 1163 O THR B 13 12.951 7.488 -8.639 1.00 0.47 O ATOM 1164 CB THR B 13 16.313 7.451 -9.054 1.00 0.56 C ATOM 1165 OG1 THR B 13 17.086 6.678 -9.965 1.00 0.63 O ATOM 1166 CG2 THR B 13 17.197 7.952 -7.907 1.00 0.60 C ATOM 0 H THR B 13 15.421 5.774 -10.449 1.00 0.51 H new ATOM 0 HA THR B 13 15.430 6.017 -7.637 1.00 0.49 H new ATOM 0 HB THR B 13 15.901 8.314 -9.577 1.00 0.56 H new ATOM 0 HG1 THR B 13 17.821 7.223 -10.315 1.00 0.63 H new ATOM 0 HG21 THR B 13 18.012 8.552 -8.311 1.00 0.60 H new ATOM 0 HG22 THR B 13 16.601 8.561 -7.227 1.00 0.60 H new ATOM 0 HG23 THR B 13 17.608 7.100 -7.365 1.00 0.60 H new ATOM 1174 N CYS B 14 14.334 8.456 -7.231 1.00 0.43 N ATOM 1175 CA CYS B 14 13.311 9.438 -6.831 1.00 0.43 C ATOM 1176 C CYS B 14 13.966 10.564 -6.025 1.00 0.46 C ATOM 1177 O CYS B 14 14.885 10.324 -5.266 1.00 0.48 O ATOM 1178 CB CYS B 14 12.311 8.651 -5.983 1.00 0.44 C ATOM 1179 SG CYS B 14 11.150 9.788 -5.188 1.00 0.46 S ATOM 0 H CYS B 14 15.237 8.553 -6.766 1.00 0.43 H new ATOM 0 HA CYS B 14 12.819 9.907 -7.683 1.00 0.43 H new ATOM 0 HB2 CYS B 14 11.769 7.942 -6.609 1.00 0.44 H new ATOM 0 HB3 CYS B 14 12.840 8.070 -5.227 1.00 0.44 H new ATOM 1184 N PRO B 15 13.481 11.763 -6.219 1.00 0.55 N ATOM 1185 CA PRO B 15 14.041 12.934 -5.497 1.00 0.64 C ATOM 1186 C PRO B 15 13.758 12.824 -3.998 1.00 0.54 C ATOM 1187 O PRO B 15 12.902 12.079 -3.578 1.00 0.64 O ATOM 1188 CB PRO B 15 13.317 14.124 -6.124 1.00 0.77 C ATOM 1189 CG PRO B 15 12.051 13.552 -6.673 1.00 0.82 C ATOM 1190 CD PRO B 15 12.375 12.145 -7.106 1.00 0.64 C ATOM 0 HA PRO B 15 15.124 13.019 -5.584 1.00 0.64 H new ATOM 0 HB2 PRO B 15 13.113 14.898 -5.384 1.00 0.77 H new ATOM 0 HB3 PRO B 15 13.917 14.584 -6.909 1.00 0.77 H new ATOM 0 HG2 PRO B 15 11.264 13.555 -5.919 1.00 0.82 H new ATOM 0 HG3 PRO B 15 11.689 14.144 -7.514 1.00 0.82 H new ATOM 0 HD2 PRO B 15 11.518 11.481 -6.989 1.00 0.64 H new ATOM 0 HD3 PRO B 15 12.669 12.105 -8.155 1.00 0.64 H new ATOM 1198 N ASN B 16 14.488 13.548 -3.192 1.00 0.41 N ATOM 1199 CA ASN B 16 14.282 13.473 -1.716 1.00 0.36 C ATOM 1200 C ASN B 16 14.657 12.073 -1.218 1.00 0.35 C ATOM 1201 O ASN B 16 15.696 11.549 -1.564 1.00 0.41 O ATOM 1202 CB ASN B 16 12.795 13.767 -1.495 1.00 0.33 C ATOM 1203 CG ASN B 16 12.417 15.056 -2.230 1.00 0.33 C ATOM 1204 OD1 ASN B 16 12.863 16.126 -1.869 1.00 0.41 O ATOM 1205 ND2 ASN B 16 11.609 15.000 -3.255 1.00 0.64 N ATOM 0 H ASN B 16 15.221 14.190 -3.493 1.00 0.41 H new ATOM 0 HA ASN B 16 14.903 14.181 -1.167 1.00 0.36 H new ATOM 0 HB2 ASN B 16 12.191 12.937 -1.860 1.00 0.33 H new ATOM 0 HB3 ASN B 16 12.587 13.868 -0.430 1.00 0.33 H new ATOM 0 HD21 ASN B 16 11.354 15.854 -3.751 1.00 0.64 H new ATOM 0 HD22 ASN B 16 11.233 14.102 -3.560 1.00 0.64 H new ATOM 1212 N GLY B 17 13.832 11.455 -0.418 1.00 0.40 N ATOM 1213 CA GLY B 17 14.175 10.090 0.074 1.00 0.43 C ATOM 1214 C GLY B 17 14.648 9.238 -1.103 1.00 0.41 C ATOM 1215 O GLY B 17 13.863 8.794 -1.915 1.00 0.46 O ATOM 0 H GLY B 17 12.944 11.831 -0.086 1.00 0.40 H new ATOM 0 HA2 GLY B 17 14.955 10.149 0.833 1.00 0.43 H new ATOM 0 HA3 GLY B 17 13.306 9.631 0.545 1.00 0.43 H new ATOM 1219 N GLN B 18 15.926 9.012 -1.207 1.00 0.40 N ATOM 1220 CA GLN B 18 16.453 8.198 -2.340 1.00 0.39 C ATOM 1221 C GLN B 18 16.001 6.737 -2.222 1.00 0.33 C ATOM 1222 O GLN B 18 16.191 5.950 -3.126 1.00 0.39 O ATOM 1223 CB GLN B 18 17.972 8.300 -2.219 1.00 0.39 C ATOM 1224 CG GLN B 18 18.424 7.635 -0.918 1.00 0.41 C ATOM 1225 CD GLN B 18 18.789 8.712 0.105 1.00 0.53 C ATOM 1226 OE1 GLN B 18 17.927 9.400 0.612 1.00 0.74 O ATOM 1227 NE2 GLN B 18 20.041 8.888 0.432 1.00 0.65 N ATOM 0 H GLN B 18 16.632 9.356 -0.556 1.00 0.40 H new ATOM 0 HA GLN B 18 16.089 8.555 -3.303 1.00 0.39 H new ATOM 0 HB2 GLN B 18 18.449 7.817 -3.072 1.00 0.39 H new ATOM 0 HB3 GLN B 18 18.279 9.346 -2.232 1.00 0.39 H new ATOM 0 HG2 GLN B 18 17.629 7.001 -0.526 1.00 0.41 H new ATOM 0 HG3 GLN B 18 19.283 6.991 -1.106 1.00 0.41 H new ATOM 0 HE21 GLN B 18 20.765 8.310 0.006 1.00 0.65 H new ATOM 0 HE22 GLN B 18 20.294 9.603 1.113 1.00 0.65 H new ATOM 1236 N ASP B 19 15.411 6.361 -1.117 1.00 0.32 N ATOM 1237 CA ASP B 19 14.966 4.943 -0.969 1.00 0.28 C ATOM 1238 C ASP B 19 13.624 4.865 -0.236 1.00 0.26 C ATOM 1239 O ASP B 19 13.005 5.867 0.062 1.00 0.27 O ATOM 1240 CB ASP B 19 16.059 4.271 -0.139 1.00 0.31 C ATOM 1241 CG ASP B 19 16.008 4.796 1.298 1.00 0.32 C ATOM 1242 OD1 ASP B 19 15.252 5.721 1.546 1.00 0.41 O ATOM 1243 OD2 ASP B 19 16.724 4.260 2.129 1.00 0.39 O ATOM 0 H ASP B 19 15.220 6.967 -0.319 1.00 0.32 H new ATOM 0 HA ASP B 19 14.823 4.462 -1.937 1.00 0.28 H new ATOM 0 HB2 ASP B 19 15.923 3.190 -0.147 1.00 0.31 H new ATOM 0 HB3 ASP B 19 17.037 4.472 -0.576 1.00 0.31 H new ATOM 1248 N ILE B 20 13.176 3.675 0.059 1.00 0.25 N ATOM 1249 CA ILE B 20 11.879 3.519 0.776 1.00 0.24 C ATOM 1250 C ILE B 20 10.770 4.272 0.045 1.00 0.23 C ATOM 1251 O ILE B 20 10.589 5.460 0.223 1.00 0.26 O ATOM 1252 CB ILE B 20 12.113 4.126 2.157 1.00 0.28 C ATOM 1253 CG1 ILE B 20 13.175 3.311 2.896 1.00 0.31 C ATOM 1254 CG2 ILE B 20 10.805 4.103 2.952 1.00 0.36 C ATOM 1255 CD1 ILE B 20 13.992 4.236 3.800 1.00 0.33 C ATOM 0 H ILE B 20 13.654 2.802 -0.166 1.00 0.25 H new ATOM 0 HA ILE B 20 11.568 2.476 0.834 1.00 0.24 H new ATOM 0 HB ILE B 20 12.454 5.156 2.050 1.00 0.28 H new ATOM 0 HG12 ILE B 20 12.701 2.530 3.491 1.00 0.31 H new ATOM 0 HG13 ILE B 20 13.830 2.813 2.180 1.00 0.31 H new ATOM 0 HG21 ILE B 20 10.971 4.536 3.938 1.00 0.36 H new ATOM 0 HG22 ILE B 20 10.048 4.683 2.424 1.00 0.36 H new ATOM 0 HG23 ILE B 20 10.463 3.074 3.061 1.00 0.36 H new ATOM 0 HD11 ILE B 20 14.749 3.655 4.327 1.00 0.33 H new ATOM 0 HD12 ILE B 20 14.478 5.000 3.194 1.00 0.33 H new ATOM 0 HD13 ILE B 20 13.332 4.713 4.524 1.00 0.33 H new ATOM 1267 N CYS B 21 10.022 3.587 -0.772 1.00 0.22 N ATOM 1268 CA CYS B 21 8.916 4.260 -1.510 1.00 0.23 C ATOM 1269 C CYS B 21 7.614 4.050 -0.740 1.00 0.21 C ATOM 1270 O CYS B 21 7.457 3.070 -0.038 1.00 0.27 O ATOM 1271 CB CYS B 21 8.839 3.582 -2.888 1.00 0.27 C ATOM 1272 SG CYS B 21 10.471 2.970 -3.397 1.00 0.34 S ATOM 0 H CYS B 21 10.128 2.590 -0.962 1.00 0.22 H new ATOM 0 HA CYS B 21 9.083 5.332 -1.617 1.00 0.23 H new ATOM 0 HB2 CYS B 21 8.130 2.755 -2.852 1.00 0.27 H new ATOM 0 HB3 CYS B 21 8.465 4.291 -3.627 1.00 0.27 H new ATOM 1277 N PHE B 22 6.676 4.948 -0.852 1.00 0.22 N ATOM 1278 CA PHE B 22 5.415 4.765 -0.115 1.00 0.23 C ATOM 1279 C PHE B 22 4.285 5.591 -0.746 1.00 0.23 C ATOM 1280 O PHE B 22 4.507 6.404 -1.622 1.00 0.33 O ATOM 1281 CB PHE B 22 5.715 5.253 1.308 1.00 0.27 C ATOM 1282 CG PHE B 22 5.586 6.759 1.350 1.00 0.25 C ATOM 1283 CD1 PHE B 22 6.508 7.564 0.669 1.00 0.25 C ATOM 1284 CD2 PHE B 22 4.520 7.344 2.039 1.00 0.42 C ATOM 1285 CE1 PHE B 22 6.364 8.956 0.684 1.00 0.26 C ATOM 1286 CE2 PHE B 22 4.372 8.734 2.052 1.00 0.49 C ATOM 1287 CZ PHE B 22 5.295 9.542 1.375 1.00 0.36 C ATOM 0 H PHE B 22 6.735 5.793 -1.421 1.00 0.22 H new ATOM 0 HA PHE B 22 5.080 3.728 -0.132 1.00 0.23 H new ATOM 0 HB2 PHE B 22 5.024 4.796 2.016 1.00 0.27 H new ATOM 0 HB3 PHE B 22 6.720 4.953 1.605 1.00 0.27 H new ATOM 0 HD1 PHE B 22 7.329 7.111 0.133 1.00 0.25 H new ATOM 0 HD2 PHE B 22 3.809 6.721 2.562 1.00 0.42 H new ATOM 0 HE1 PHE B 22 7.077 9.578 0.163 1.00 0.26 H new ATOM 0 HE2 PHE B 22 3.547 9.185 2.583 1.00 0.49 H new ATOM 0 HZ PHE B 22 5.183 10.616 1.386 1.00 0.36 H new ATOM 1297 N LEU B 23 3.079 5.401 -0.283 1.00 0.20 N ATOM 1298 CA LEU B 23 1.931 6.185 -0.828 1.00 0.20 C ATOM 1299 C LEU B 23 1.142 6.807 0.323 1.00 0.22 C ATOM 1300 O LEU B 23 1.106 6.274 1.412 1.00 0.32 O ATOM 1301 CB LEU B 23 1.057 5.170 -1.554 1.00 0.22 C ATOM 1302 CG LEU B 23 0.022 5.909 -2.404 1.00 0.30 C ATOM 1303 CD1 LEU B 23 -0.003 5.313 -3.812 1.00 0.34 C ATOM 1304 CD2 LEU B 23 -1.363 5.766 -1.765 1.00 0.40 C ATOM 0 H LEU B 23 2.838 4.735 0.451 1.00 0.20 H new ATOM 0 HA LEU B 23 2.260 6.989 -1.486 1.00 0.20 H new ATOM 0 HB2 LEU B 23 1.672 4.529 -2.186 1.00 0.22 H new ATOM 0 HB3 LEU B 23 0.557 4.522 -0.834 1.00 0.22 H new ATOM 0 HG LEU B 23 0.288 6.964 -2.461 1.00 0.30 H new ATOM 0 HD11 LEU B 23 -0.741 5.840 -4.417 1.00 0.34 H new ATOM 0 HD12 LEU B 23 0.981 5.416 -4.268 1.00 0.34 H new ATOM 0 HD13 LEU B 23 -0.268 4.257 -3.756 1.00 0.34 H new ATOM 0 HD21 LEU B 23 -2.100 6.293 -2.371 1.00 0.40 H new ATOM 0 HD22 LEU B 23 -1.629 4.711 -1.706 1.00 0.40 H new ATOM 0 HD23 LEU B 23 -1.347 6.193 -0.762 1.00 0.40 H new ATOM 1316 N LYS B 24 0.496 7.916 0.096 1.00 0.25 N ATOM 1317 CA LYS B 24 -0.298 8.541 1.192 1.00 0.27 C ATOM 1318 C LYS B 24 -1.731 8.804 0.719 1.00 0.29 C ATOM 1319 O LYS B 24 -1.955 9.460 -0.280 1.00 0.34 O ATOM 1320 CB LYS B 24 0.414 9.855 1.516 1.00 0.32 C ATOM 1321 CG LYS B 24 -0.274 10.518 2.713 1.00 0.35 C ATOM 1322 CD LYS B 24 0.182 11.974 2.830 1.00 0.44 C ATOM 1323 CE LYS B 24 1.287 12.083 3.884 1.00 0.52 C ATOM 1324 NZ LYS B 24 1.280 13.513 4.309 1.00 0.68 N ATOM 0 H LYS B 24 0.482 8.414 -0.794 1.00 0.25 H new ATOM 0 HA LYS B 24 -0.364 7.897 2.069 1.00 0.27 H new ATOM 0 HB2 LYS B 24 1.464 9.668 1.742 1.00 0.32 H new ATOM 0 HB3 LYS B 24 0.388 10.519 0.652 1.00 0.32 H new ATOM 0 HG2 LYS B 24 -1.356 10.475 2.592 1.00 0.35 H new ATOM 0 HG3 LYS B 24 -0.033 9.977 3.628 1.00 0.35 H new ATOM 0 HD2 LYS B 24 0.548 12.330 1.867 1.00 0.44 H new ATOM 0 HD3 LYS B 24 -0.661 12.609 3.105 1.00 0.44 H new ATOM 0 HE2 LYS B 24 1.094 11.420 4.728 1.00 0.52 H new ATOM 0 HE3 LYS B 24 2.255 11.799 3.471 1.00 0.52 H new ATOM 0 HZ1 LYS B 24 2.013 13.664 5.032 1.00 0.68 H new ATOM 0 HZ2 LYS B 24 1.474 14.120 3.487 1.00 0.68 H new ATOM 0 HZ3 LYS B 24 0.349 13.753 4.705 1.00 0.68 H new ATOM 1338 N ALA B 25 -2.702 8.295 1.428 1.00 0.28 N ATOM 1339 CA ALA B 25 -4.122 8.510 1.017 1.00 0.30 C ATOM 1340 C ALA B 25 -4.892 9.273 2.102 1.00 0.30 C ATOM 1341 O ALA B 25 -4.620 9.141 3.280 1.00 0.33 O ATOM 1342 CB ALA B 25 -4.700 7.110 0.833 1.00 0.34 C ATOM 0 H ALA B 25 -2.575 7.740 2.274 1.00 0.28 H new ATOM 0 HA ALA B 25 -4.196 9.105 0.107 1.00 0.30 H new ATOM 0 HB1 ALA B 25 -5.744 7.184 0.530 1.00 0.34 H new ATOM 0 HB2 ALA B 25 -4.136 6.582 0.065 1.00 0.34 H new ATOM 0 HB3 ALA B 25 -4.633 6.562 1.773 1.00 0.34 H new ATOM 1348 N GLN B 26 -5.846 10.078 1.710 1.00 0.35 N ATOM 1349 CA GLN B 26 -6.630 10.862 2.711 1.00 0.40 C ATOM 1350 C GLN B 26 -8.052 11.128 2.203 1.00 0.38 C ATOM 1351 O GLN B 26 -8.337 11.009 1.028 1.00 0.53 O ATOM 1352 CB GLN B 26 -5.874 12.182 2.851 1.00 0.48 C ATOM 1353 CG GLN B 26 -5.793 12.861 1.481 1.00 0.55 C ATOM 1354 CD GLN B 26 -6.684 14.103 1.462 1.00 0.65 C ATOM 1355 OE1 GLN B 26 -7.618 14.209 2.232 1.00 0.69 O ATOM 1356 NE2 GLN B 26 -6.435 15.052 0.602 1.00 0.88 N ATOM 0 H GLN B 26 -6.116 10.226 0.738 1.00 0.35 H new ATOM 0 HA GLN B 26 -6.726 10.329 3.657 1.00 0.40 H new ATOM 0 HB2 GLN B 26 -6.382 12.832 3.563 1.00 0.48 H new ATOM 0 HB3 GLN B 26 -4.872 12.002 3.241 1.00 0.48 H new ATOM 0 HG2 GLN B 26 -4.762 13.139 1.264 1.00 0.55 H new ATOM 0 HG3 GLN B 26 -6.106 12.166 0.702 1.00 0.55 H new ATOM 0 HE21 GLN B 26 -5.651 14.962 -0.044 1.00 0.88 H new ATOM 0 HE22 GLN B 26 -7.025 15.884 0.576 1.00 0.88 H new ATOM 1365 N CYS B 27 -8.942 11.501 3.083 1.00 0.44 N ATOM 1366 CA CYS B 27 -10.341 11.793 2.663 1.00 0.49 C ATOM 1367 C CYS B 27 -10.718 13.225 3.047 1.00 0.56 C ATOM 1368 O CYS B 27 -10.432 13.683 4.135 1.00 0.69 O ATOM 1369 CB CYS B 27 -11.197 10.776 3.413 1.00 0.55 C ATOM 1370 SG CYS B 27 -11.008 9.165 2.615 1.00 0.47 S ATOM 0 H CYS B 27 -8.758 11.616 4.080 1.00 0.44 H new ATOM 0 HA CYS B 27 -10.480 11.715 1.585 1.00 0.49 H new ATOM 0 HB2 CYS B 27 -10.890 10.719 4.457 1.00 0.55 H new ATOM 0 HB3 CYS B 27 -12.243 11.082 3.405 1.00 0.55 H new ATOM 1375 N ASP B 28 -11.349 13.936 2.153 1.00 0.57 N ATOM 1376 CA ASP B 28 -11.735 15.343 2.457 1.00 0.68 C ATOM 1377 C ASP B 28 -13.256 15.505 2.376 1.00 0.67 C ATOM 1378 O ASP B 28 -13.852 15.364 1.327 1.00 1.05 O ATOM 1379 CB ASP B 28 -11.048 16.180 1.376 1.00 0.69 C ATOM 1380 CG ASP B 28 -11.156 17.664 1.730 1.00 0.81 C ATOM 1381 OD1 ASP B 28 -10.713 18.028 2.806 1.00 1.15 O ATOM 1382 OD2 ASP B 28 -11.675 18.411 0.917 1.00 1.01 O ATOM 0 H ASP B 28 -11.614 13.604 1.226 1.00 0.57 H new ATOM 0 HA ASP B 28 -11.438 15.647 3.461 1.00 0.68 H new ATOM 0 HB2 ASP B 28 -10.000 15.892 1.290 1.00 0.69 H new ATOM 0 HB3 ASP B 28 -11.511 15.992 0.407 1.00 0.69 H new ATOM 1387 N LYS B 29 -13.882 15.804 3.479 1.00 0.41 N ATOM 1388 CA LYS B 29 -15.362 15.985 3.480 1.00 0.46 C ATOM 1389 C LYS B 29 -16.054 14.869 2.684 1.00 0.45 C ATOM 1390 O LYS B 29 -16.372 15.024 1.521 1.00 0.67 O ATOM 1391 CB LYS B 29 -15.597 17.346 2.824 1.00 0.58 C ATOM 1392 CG LYS B 29 -16.476 18.203 3.738 1.00 0.60 C ATOM 1393 CD LYS B 29 -15.780 19.537 4.017 1.00 0.77 C ATOM 1394 CE LYS B 29 -16.467 20.231 5.195 1.00 1.10 C ATOM 1395 NZ LYS B 29 -15.745 21.525 5.358 1.00 1.26 N ATOM 0 H LYS B 29 -13.431 15.932 4.385 1.00 0.41 H new ATOM 0 HA LYS B 29 -15.775 15.940 4.488 1.00 0.46 H new ATOM 0 HB2 LYS B 29 -14.645 17.845 2.644 1.00 0.58 H new ATOM 0 HB3 LYS B 29 -16.078 17.217 1.854 1.00 0.58 H new ATOM 0 HG2 LYS B 29 -17.444 18.378 3.269 1.00 0.60 H new ATOM 0 HG3 LYS B 29 -16.666 17.678 4.674 1.00 0.60 H new ATOM 0 HD2 LYS B 29 -14.727 19.370 4.243 1.00 0.77 H new ATOM 0 HD3 LYS B 29 -15.820 20.173 3.132 1.00 0.77 H new ATOM 0 HE2 LYS B 29 -17.526 20.393 4.994 1.00 1.10 H new ATOM 0 HE3 LYS B 29 -16.403 19.627 6.100 1.00 1.10 H new ATOM 0 HZ1 LYS B 29 -16.161 22.057 6.149 1.00 1.26 H new ATOM 0 HZ2 LYS B 29 -14.741 21.340 5.555 1.00 1.26 H new ATOM 0 HZ3 LYS B 29 -15.829 22.082 4.484 1.00 1.26 H new ATOM 1409 N PHE B 30 -16.305 13.753 3.315 1.00 0.30 N ATOM 1410 CA PHE B 30 -17.000 12.622 2.622 1.00 0.34 C ATOM 1411 C PHE B 30 -16.159 12.066 1.464 1.00 0.39 C ATOM 1412 O PHE B 30 -16.227 12.544 0.350 1.00 0.61 O ATOM 1413 CB PHE B 30 -18.308 13.213 2.094 1.00 0.35 C ATOM 1414 CG PHE B 30 -18.919 14.114 3.140 1.00 0.43 C ATOM 1415 CD1 PHE B 30 -19.160 13.625 4.429 1.00 0.60 C ATOM 1416 CD2 PHE B 30 -19.239 15.440 2.822 1.00 0.54 C ATOM 1417 CE1 PHE B 30 -19.722 14.461 5.401 1.00 0.76 C ATOM 1418 CE2 PHE B 30 -19.802 16.276 3.793 1.00 0.72 C ATOM 1419 CZ PHE B 30 -20.042 15.787 5.083 1.00 0.80 C ATOM 0 H PHE B 30 -16.058 13.572 4.288 1.00 0.30 H new ATOM 0 HA PHE B 30 -17.168 11.788 3.303 1.00 0.34 H new ATOM 0 HB2 PHE B 30 -18.121 13.776 1.180 1.00 0.35 H new ATOM 0 HB3 PHE B 30 -19.003 12.413 1.839 1.00 0.35 H new ATOM 0 HD1 PHE B 30 -18.912 12.603 4.674 1.00 0.60 H new ATOM 0 HD2 PHE B 30 -19.051 15.817 1.828 1.00 0.54 H new ATOM 0 HE1 PHE B 30 -19.909 14.084 6.396 1.00 0.76 H new ATOM 0 HE2 PHE B 30 -20.051 17.298 3.547 1.00 0.72 H new ATOM 0 HZ PHE B 30 -20.474 16.433 5.833 1.00 0.80 H new ATOM 1429 N CYS B 31 -15.370 11.057 1.725 1.00 0.37 N ATOM 1430 CA CYS B 31 -14.523 10.451 0.670 1.00 0.48 C ATOM 1431 C CYS B 31 -15.375 9.813 -0.439 1.00 0.62 C ATOM 1432 O CYS B 31 -15.205 8.656 -0.765 1.00 0.64 O ATOM 1433 CB CYS B 31 -13.745 9.361 1.403 1.00 0.49 C ATOM 1434 SG CYS B 31 -12.016 9.375 0.880 1.00 0.42 S ATOM 0 H CYS B 31 -15.279 10.623 2.644 1.00 0.37 H new ATOM 0 HA CYS B 31 -13.888 11.193 0.185 1.00 0.48 H new ATOM 0 HB2 CYS B 31 -13.809 9.519 2.480 1.00 0.49 H new ATOM 0 HB3 CYS B 31 -14.188 8.386 1.197 1.00 0.49 H new ATOM 1439 N SER B 32 -16.280 10.546 -1.026 1.00 0.74 N ATOM 1440 CA SER B 32 -17.122 9.954 -2.109 1.00 0.95 C ATOM 1441 C SER B 32 -17.932 11.047 -2.804 1.00 0.95 C ATOM 1442 O SER B 32 -18.986 10.800 -3.359 1.00 1.14 O ATOM 1443 CB SER B 32 -18.046 8.965 -1.401 1.00 1.06 C ATOM 1444 OG SER B 32 -17.410 7.696 -1.341 1.00 1.29 O ATOM 0 H SER B 32 -16.474 11.523 -0.806 1.00 0.74 H new ATOM 0 HA SER B 32 -16.523 9.467 -2.878 1.00 0.95 H new ATOM 0 HB2 SER B 32 -18.276 9.318 -0.396 1.00 1.06 H new ATOM 0 HB3 SER B 32 -18.993 8.886 -1.935 1.00 1.06 H new ATOM 0 HG SER B 32 -16.440 7.812 -1.420 1.00 1.29 H new ATOM 1450 N ILE B 33 -17.442 12.251 -2.781 1.00 0.77 N ATOM 1451 CA ILE B 33 -18.163 13.370 -3.441 1.00 0.79 C ATOM 1452 C ILE B 33 -17.273 13.963 -4.533 1.00 0.67 C ATOM 1453 O ILE B 33 -17.727 14.310 -5.604 1.00 0.80 O ATOM 1454 CB ILE B 33 -18.419 14.383 -2.325 1.00 0.81 C ATOM 1455 CG1 ILE B 33 -19.335 13.754 -1.271 1.00 0.96 C ATOM 1456 CG2 ILE B 33 -19.089 15.627 -2.908 1.00 0.95 C ATOM 1457 CD1 ILE B 33 -20.549 13.124 -1.957 1.00 1.02 C ATOM 0 H ILE B 33 -16.565 12.510 -2.329 1.00 0.77 H new ATOM 0 HA ILE B 33 -19.094 13.062 -3.917 1.00 0.79 H new ATOM 0 HB ILE B 33 -17.473 14.666 -1.864 1.00 0.81 H new ATOM 0 HG12 ILE B 33 -18.790 12.997 -0.706 1.00 0.96 H new ATOM 0 HG13 ILE B 33 -19.660 14.512 -0.558 1.00 0.96 H new ATOM 0 HG21 ILE B 33 -19.271 16.349 -2.112 1.00 0.95 H new ATOM 0 HG22 ILE B 33 -18.438 16.073 -3.660 1.00 0.95 H new ATOM 0 HG23 ILE B 33 -20.037 15.348 -3.369 1.00 0.95 H new ATOM 0 HD11 ILE B 33 -21.200 12.677 -1.206 1.00 1.02 H new ATOM 0 HD12 ILE B 33 -21.098 13.892 -2.502 1.00 1.02 H new ATOM 0 HD13 ILE B 33 -20.215 12.354 -2.652 1.00 1.02 H new ATOM 1469 N ARG B 34 -16.000 14.069 -4.266 1.00 0.50 N ATOM 1470 CA ARG B 34 -15.072 14.616 -5.270 1.00 0.39 C ATOM 1471 C ARG B 34 -13.940 13.619 -5.533 1.00 0.43 C ATOM 1472 O ARG B 34 -12.949 13.938 -6.159 1.00 0.55 O ATOM 1473 CB ARG B 34 -14.541 15.919 -4.667 1.00 0.33 C ATOM 1474 CG ARG B 34 -13.546 15.607 -3.548 1.00 0.38 C ATOM 1475 CD ARG B 34 -13.175 16.906 -2.825 1.00 0.51 C ATOM 1476 NE ARG B 34 -13.787 16.790 -1.472 1.00 0.58 N ATOM 1477 CZ ARG B 34 -15.063 17.012 -1.312 1.00 0.66 C ATOM 1478 NH1 ARG B 34 -15.607 18.088 -1.813 1.00 0.91 N ATOM 1479 NH2 ARG B 34 -15.793 16.160 -0.646 1.00 0.97 N ATOM 0 H ARG B 34 -15.568 13.795 -3.384 1.00 0.50 H new ATOM 0 HA ARG B 34 -15.556 14.798 -6.230 1.00 0.39 H new ATOM 0 HB2 ARG B 34 -14.057 16.517 -5.439 1.00 0.33 H new ATOM 0 HB3 ARG B 34 -15.367 16.512 -4.276 1.00 0.33 H new ATOM 0 HG2 ARG B 34 -13.982 14.898 -2.845 1.00 0.38 H new ATOM 0 HG3 ARG B 34 -12.652 15.139 -3.960 1.00 0.38 H new ATOM 0 HD2 ARG B 34 -12.093 17.024 -2.759 1.00 0.51 H new ATOM 0 HD3 ARG B 34 -13.559 17.776 -3.357 1.00 0.51 H new ATOM 0 HE ARG B 34 -13.209 16.537 -0.671 1.00 0.58 H new ATOM 0 HH11 ARG B 34 -15.035 18.756 -2.330 1.00 0.91 H new ATOM 0 HH12 ARG B 34 -16.604 18.261 -1.688 1.00 0.91 H new ATOM 0 HH21 ARG B 34 -15.366 15.322 -0.251 1.00 0.97 H new ATOM 0 HH22 ARG B 34 -16.790 16.332 -0.520 1.00 0.97 H new ATOM 1493 N GLY B 35 -14.085 12.407 -5.060 1.00 0.41 N ATOM 1494 CA GLY B 35 -13.024 11.383 -5.283 1.00 0.48 C ATOM 1495 C GLY B 35 -11.920 11.560 -4.244 1.00 0.43 C ATOM 1496 O GLY B 35 -11.535 12.669 -3.931 1.00 0.42 O ATOM 0 H GLY B 35 -14.894 12.084 -4.529 1.00 0.41 H new ATOM 0 HA2 GLY B 35 -13.449 10.382 -5.211 1.00 0.48 H new ATOM 0 HA3 GLY B 35 -12.612 11.483 -6.287 1.00 0.48 H new ATOM 1500 N PRO B 36 -11.441 10.456 -3.740 1.00 0.47 N ATOM 1501 CA PRO B 36 -10.368 10.497 -2.726 1.00 0.48 C ATOM 1502 C PRO B 36 -9.059 10.932 -3.377 1.00 0.47 C ATOM 1503 O PRO B 36 -8.949 11.000 -4.586 1.00 0.54 O ATOM 1504 CB PRO B 36 -10.288 9.060 -2.219 1.00 0.54 C ATOM 1505 CG PRO B 36 -10.837 8.226 -3.332 1.00 0.50 C ATOM 1506 CD PRO B 36 -11.839 9.081 -4.070 1.00 0.62 C ATOM 0 HA PRO B 36 -10.558 11.204 -1.919 1.00 0.48 H new ATOM 0 HB2 PRO B 36 -9.261 8.780 -1.986 1.00 0.54 H new ATOM 0 HB3 PRO B 36 -10.869 8.931 -1.306 1.00 0.54 H new ATOM 0 HG2 PRO B 36 -10.040 7.902 -4.001 1.00 0.50 H new ATOM 0 HG3 PRO B 36 -11.311 7.326 -2.942 1.00 0.50 H new ATOM 0 HD2 PRO B 36 -11.803 8.902 -5.145 1.00 0.62 H new ATOM 0 HD3 PRO B 36 -12.858 8.871 -3.746 1.00 0.62 H new ATOM 1514 N VAL B 37 -8.068 11.234 -2.595 1.00 0.50 N ATOM 1515 CA VAL B 37 -6.774 11.667 -3.179 1.00 0.50 C ATOM 1516 C VAL B 37 -5.668 10.722 -2.746 1.00 0.51 C ATOM 1517 O VAL B 37 -5.713 10.129 -1.687 1.00 0.67 O ATOM 1518 CB VAL B 37 -6.553 13.075 -2.635 1.00 0.53 C ATOM 1519 CG1 VAL B 37 -5.284 13.671 -3.243 1.00 0.58 C ATOM 1520 CG2 VAL B 37 -7.752 13.950 -3.004 1.00 0.58 C ATOM 0 H VAL B 37 -8.097 11.200 -1.576 1.00 0.50 H new ATOM 0 HA VAL B 37 -6.776 11.658 -4.269 1.00 0.50 H new ATOM 0 HB VAL B 37 -6.446 13.032 -1.551 1.00 0.53 H new ATOM 0 HG11 VAL B 37 -5.131 14.677 -2.851 1.00 0.58 H new ATOM 0 HG12 VAL B 37 -4.429 13.047 -2.985 1.00 0.58 H new ATOM 0 HG13 VAL B 37 -5.386 13.716 -4.327 1.00 0.58 H new ATOM 0 HG21 VAL B 37 -7.600 14.958 -2.618 1.00 0.58 H new ATOM 0 HG22 VAL B 37 -7.854 13.989 -4.089 1.00 0.58 H new ATOM 0 HG23 VAL B 37 -8.658 13.528 -2.569 1.00 0.58 H new ATOM 1530 N ILE B 38 -4.694 10.548 -3.583 1.00 0.44 N ATOM 1531 CA ILE B 38 -3.601 9.610 -3.253 1.00 0.44 C ATOM 1532 C ILE B 38 -2.318 10.036 -3.975 1.00 0.40 C ATOM 1533 O ILE B 38 -2.285 10.156 -5.184 1.00 0.47 O ATOM 1534 CB ILE B 38 -4.154 8.282 -3.769 1.00 0.50 C ATOM 1535 CG1 ILE B 38 -4.742 7.495 -2.597 1.00 0.52 C ATOM 1536 CG2 ILE B 38 -3.058 7.450 -4.443 1.00 0.60 C ATOM 1537 CD1 ILE B 38 -6.255 7.369 -2.779 1.00 0.54 C ATOM 0 H ILE B 38 -4.608 11.017 -4.485 1.00 0.44 H new ATOM 0 HA ILE B 38 -3.331 9.565 -2.198 1.00 0.44 H new ATOM 0 HB ILE B 38 -4.926 8.492 -4.509 1.00 0.50 H new ATOM 0 HG12 ILE B 38 -4.287 6.506 -2.544 1.00 0.52 H new ATOM 0 HG13 ILE B 38 -4.518 7.999 -1.657 1.00 0.52 H new ATOM 0 HG21 ILE B 38 -3.481 6.511 -4.800 1.00 0.60 H new ATOM 0 HG22 ILE B 38 -2.646 8.005 -5.285 1.00 0.60 H new ATOM 0 HG23 ILE B 38 -2.266 7.241 -3.724 1.00 0.60 H new ATOM 0 HD11 ILE B 38 -6.676 6.808 -1.945 1.00 0.54 H new ATOM 0 HD12 ILE B 38 -6.702 8.363 -2.811 1.00 0.54 H new ATOM 0 HD13 ILE B 38 -6.467 6.846 -3.712 1.00 0.54 H new ATOM 1549 N GLU B 39 -1.266 10.273 -3.245 1.00 0.35 N ATOM 1550 CA GLU B 39 0.004 10.698 -3.894 1.00 0.33 C ATOM 1551 C GLU B 39 1.140 9.751 -3.514 1.00 0.32 C ATOM 1552 O GLU B 39 1.237 9.298 -2.390 1.00 0.46 O ATOM 1553 CB GLU B 39 0.267 12.104 -3.354 1.00 0.36 C ATOM 1554 CG GLU B 39 -0.900 13.017 -3.735 1.00 0.36 C ATOM 1555 CD GLU B 39 -0.398 14.139 -4.648 1.00 0.44 C ATOM 1556 OE1 GLU B 39 0.034 13.834 -5.746 1.00 0.54 O ATOM 1557 OE2 GLU B 39 -0.457 15.284 -4.231 1.00 0.57 O ATOM 0 H GLU B 39 -1.230 10.191 -2.229 1.00 0.35 H new ATOM 0 HA GLU B 39 -0.062 10.683 -4.982 1.00 0.33 H new ATOM 0 HB2 GLU B 39 0.382 12.074 -2.271 1.00 0.36 H new ATOM 0 HB3 GLU B 39 1.199 12.495 -3.763 1.00 0.36 H new ATOM 0 HG2 GLU B 39 -1.675 12.441 -4.242 1.00 0.36 H new ATOM 0 HG3 GLU B 39 -1.352 13.440 -2.838 1.00 0.36 H new ATOM 1564 N GLN B 40 2.005 9.455 -4.443 1.00 0.28 N ATOM 1565 CA GLN B 40 3.142 8.544 -4.139 1.00 0.27 C ATOM 1566 C GLN B 40 4.450 9.334 -4.103 1.00 0.29 C ATOM 1567 O GLN B 40 4.688 10.200 -4.922 1.00 0.36 O ATOM 1568 CB GLN B 40 3.160 7.531 -5.283 1.00 0.30 C ATOM 1569 CG GLN B 40 4.299 6.535 -5.060 1.00 0.30 C ATOM 1570 CD GLN B 40 4.097 5.315 -5.962 1.00 0.31 C ATOM 1571 OE1 GLN B 40 3.082 4.652 -5.890 1.00 0.38 O ATOM 1572 NE2 GLN B 40 5.031 4.989 -6.812 1.00 0.40 N ATOM 0 H GLN B 40 1.973 9.805 -5.401 1.00 0.28 H new ATOM 0 HA GLN B 40 3.034 8.058 -3.169 1.00 0.27 H new ATOM 0 HB2 GLN B 40 2.207 7.005 -5.333 1.00 0.30 H new ATOM 0 HB3 GLN B 40 3.292 8.044 -6.236 1.00 0.30 H new ATOM 0 HG2 GLN B 40 5.257 7.007 -5.279 1.00 0.30 H new ATOM 0 HG3 GLN B 40 4.327 6.227 -4.015 1.00 0.30 H new ATOM 0 HE21 GLN B 40 5.883 5.546 -6.872 1.00 0.40 H new ATOM 0 HE22 GLN B 40 4.909 4.177 -7.417 1.00 0.40 H new ATOM 1581 N GLY B 41 5.299 9.042 -3.161 1.00 0.28 N ATOM 1582 CA GLY B 41 6.591 9.772 -3.068 1.00 0.32 C ATOM 1583 C GLY B 41 7.610 8.889 -2.354 1.00 0.27 C ATOM 1584 O GLY B 41 7.296 7.808 -1.900 1.00 0.28 O ATOM 0 H GLY B 41 5.153 8.327 -2.449 1.00 0.28 H new ATOM 0 HA2 GLY B 41 6.950 10.031 -4.064 1.00 0.32 H new ATOM 0 HA3 GLY B 41 6.457 10.707 -2.524 1.00 0.32 H new ATOM 1588 N CYS B 42 8.826 9.336 -2.250 1.00 0.26 N ATOM 1589 CA CYS B 42 9.855 8.513 -1.561 1.00 0.28 C ATOM 1590 C CYS B 42 10.510 9.319 -0.437 1.00 0.28 C ATOM 1591 O CYS B 42 10.843 10.477 -0.601 1.00 0.37 O ATOM 1592 CB CYS B 42 10.872 8.172 -2.648 1.00 0.32 C ATOM 1593 SG CYS B 42 11.643 9.698 -3.234 1.00 0.41 S ATOM 0 H CYS B 42 9.153 10.233 -2.611 1.00 0.26 H new ATOM 0 HA CYS B 42 9.435 7.618 -1.101 1.00 0.28 H new ATOM 0 HB2 CYS B 42 11.630 7.494 -2.255 1.00 0.32 H new ATOM 0 HB3 CYS B 42 10.381 7.657 -3.474 1.00 0.32 H new ATOM 1598 N VAL B 43 10.689 8.717 0.705 1.00 0.36 N ATOM 1599 CA VAL B 43 11.313 9.443 1.846 1.00 0.41 C ATOM 1600 C VAL B 43 12.176 8.483 2.668 1.00 0.41 C ATOM 1601 O VAL B 43 12.235 7.301 2.393 1.00 0.48 O ATOM 1602 CB VAL B 43 10.132 9.946 2.674 1.00 0.41 C ATOM 1603 CG1 VAL B 43 10.637 10.928 3.733 1.00 0.45 C ATOM 1604 CG2 VAL B 43 9.137 10.655 1.752 1.00 0.46 C ATOM 0 H VAL B 43 10.429 7.750 0.898 1.00 0.36 H new ATOM 0 HA VAL B 43 11.963 10.256 1.522 1.00 0.41 H new ATOM 0 HB VAL B 43 9.641 9.105 3.164 1.00 0.41 H new ATOM 0 HG11 VAL B 43 9.796 11.289 4.325 1.00 0.45 H new ATOM 0 HG12 VAL B 43 11.351 10.425 4.385 1.00 0.45 H new ATOM 0 HG13 VAL B 43 11.124 11.771 3.244 1.00 0.45 H new ATOM 0 HG21 VAL B 43 8.292 11.016 2.338 1.00 0.46 H new ATOM 0 HG22 VAL B 43 9.628 11.498 1.266 1.00 0.46 H new ATOM 0 HG23 VAL B 43 8.781 9.956 0.995 1.00 0.46 H new ATOM 1614 N ALA B 44 12.843 8.973 3.678 1.00 0.39 N ATOM 1615 CA ALA B 44 13.687 8.071 4.513 1.00 0.41 C ATOM 1616 C ALA B 44 12.793 7.261 5.452 1.00 0.38 C ATOM 1617 O ALA B 44 13.132 6.170 5.865 1.00 0.49 O ATOM 1618 CB ALA B 44 14.602 8.997 5.313 1.00 0.44 C ATOM 0 H ALA B 44 12.840 9.953 3.960 1.00 0.39 H new ATOM 0 HA ALA B 44 14.260 7.364 3.913 1.00 0.41 H new ATOM 0 HB1 ALA B 44 15.254 8.401 5.952 1.00 0.44 H new ATOM 0 HB2 ALA B 44 15.209 9.590 4.628 1.00 0.44 H new ATOM 0 HB3 ALA B 44 13.997 9.662 5.930 1.00 0.44 H new ATOM 1624 N THR B 45 11.650 7.794 5.790 1.00 0.33 N ATOM 1625 CA THR B 45 10.724 7.064 6.699 1.00 0.38 C ATOM 1626 C THR B 45 9.275 7.232 6.236 1.00 0.34 C ATOM 1627 O THR B 45 8.885 8.274 5.747 1.00 0.34 O ATOM 1628 CB THR B 45 10.926 7.711 8.071 1.00 0.45 C ATOM 1629 OG1 THR B 45 10.078 7.078 9.018 1.00 0.55 O ATOM 1630 CG2 THR B 45 10.588 9.202 7.996 1.00 0.51 C ATOM 0 H THR B 45 11.318 8.705 5.475 1.00 0.33 H new ATOM 0 HA THR B 45 10.926 5.993 6.716 1.00 0.38 H new ATOM 0 HB THR B 45 11.966 7.595 8.376 1.00 0.45 H new ATOM 0 HG1 THR B 45 10.206 7.489 9.898 1.00 0.55 H new ATOM 0 HG21 THR B 45 10.733 9.658 8.975 1.00 0.51 H new ATOM 0 HG22 THR B 45 11.240 9.687 7.270 1.00 0.51 H new ATOM 0 HG23 THR B 45 9.549 9.325 7.689 1.00 0.51 H new ATOM 1638 N CYS B 46 8.474 6.214 6.395 1.00 0.38 N ATOM 1639 CA CYS B 46 7.046 6.310 5.975 1.00 0.39 C ATOM 1640 C CYS B 46 6.231 7.008 7.064 1.00 0.42 C ATOM 1641 O CYS B 46 6.684 7.156 8.183 1.00 0.47 O ATOM 1642 CB CYS B 46 6.572 4.862 5.820 1.00 0.44 C ATOM 1643 SG CYS B 46 6.605 4.378 4.074 1.00 0.46 S ATOM 0 H CYS B 46 8.747 5.318 6.798 1.00 0.38 H new ATOM 0 HA CYS B 46 6.928 6.881 5.054 1.00 0.39 H new ATOM 0 HB2 CYS B 46 7.211 4.198 6.401 1.00 0.44 H new ATOM 0 HB3 CYS B 46 5.561 4.758 6.215 1.00 0.44 H new ATOM 1648 N PRO B 47 5.043 7.395 6.699 1.00 0.43 N ATOM 1649 CA PRO B 47 4.127 8.068 7.654 1.00 0.44 C ATOM 1650 C PRO B 47 3.643 7.070 8.703 1.00 0.44 C ATOM 1651 O PRO B 47 4.086 5.942 8.746 1.00 0.46 O ATOM 1652 CB PRO B 47 2.978 8.547 6.770 1.00 0.48 C ATOM 1653 CG PRO B 47 3.004 7.640 5.583 1.00 0.47 C ATOM 1654 CD PRO B 47 4.441 7.244 5.372 1.00 0.47 C ATOM 0 HA PRO B 47 4.593 8.885 8.205 1.00 0.44 H new ATOM 0 HB2 PRO B 47 2.024 8.485 7.294 1.00 0.48 H new ATOM 0 HB3 PRO B 47 3.113 9.588 6.475 1.00 0.48 H new ATOM 0 HG2 PRO B 47 2.382 6.762 5.754 1.00 0.47 H new ATOM 0 HG3 PRO B 47 2.608 8.145 4.702 1.00 0.47 H new ATOM 0 HD2 PRO B 47 4.525 6.220 5.009 1.00 0.47 H new ATOM 0 HD3 PRO B 47 4.928 7.884 4.636 1.00 0.47 H new ATOM 1662 N GLN B 48 2.754 7.491 9.557 1.00 0.47 N ATOM 1663 CA GLN B 48 2.232 6.598 10.620 1.00 0.50 C ATOM 1664 C GLN B 48 1.492 5.412 10.010 1.00 0.42 C ATOM 1665 O GLN B 48 0.314 5.209 10.229 1.00 0.53 O ATOM 1666 CB GLN B 48 1.274 7.458 11.440 1.00 0.61 C ATOM 1667 CG GLN B 48 1.808 7.591 12.867 1.00 0.71 C ATOM 1668 CD GLN B 48 1.176 8.811 13.535 1.00 0.82 C ATOM 1669 OE1 GLN B 48 1.866 9.743 13.899 1.00 0.94 O ATOM 1670 NE2 GLN B 48 -0.116 8.845 13.712 1.00 0.85 N ATOM 0 H GLN B 48 2.362 8.433 9.561 1.00 0.47 H new ATOM 0 HA GLN B 48 3.036 6.188 11.232 1.00 0.50 H new ATOM 0 HB2 GLN B 48 1.171 8.443 10.985 1.00 0.61 H new ATOM 0 HB3 GLN B 48 0.282 7.007 11.451 1.00 0.61 H new ATOM 0 HG2 GLN B 48 1.579 6.691 13.438 1.00 0.71 H new ATOM 0 HG3 GLN B 48 2.893 7.692 12.853 1.00 0.71 H new ATOM 0 HE21 GLN B 48 -0.693 8.062 13.406 1.00 0.85 H new ATOM 0 HE22 GLN B 48 -0.549 9.655 14.156 1.00 0.85 H new ATOM 1679 N PHE B 49 2.183 4.635 9.245 1.00 0.34 N ATOM 1680 CA PHE B 49 1.556 3.452 8.597 1.00 0.25 C ATOM 1681 C PHE B 49 0.706 2.667 9.600 1.00 0.24 C ATOM 1682 O PHE B 49 1.221 1.984 10.463 1.00 0.37 O ATOM 1683 CB PHE B 49 2.739 2.612 8.139 1.00 0.26 C ATOM 1684 CG PHE B 49 2.382 1.884 6.877 1.00 0.24 C ATOM 1685 CD1 PHE B 49 2.388 2.565 5.657 1.00 0.31 C ATOM 1686 CD2 PHE B 49 2.055 0.527 6.925 1.00 0.30 C ATOM 1687 CE1 PHE B 49 2.069 1.887 4.479 1.00 0.35 C ATOM 1688 CE2 PHE B 49 1.730 -0.152 5.748 1.00 0.31 C ATOM 1689 CZ PHE B 49 1.740 0.527 4.525 1.00 0.31 C ATOM 0 H PHE B 49 3.172 4.765 9.033 1.00 0.34 H new ATOM 0 HA PHE B 49 0.890 3.731 7.780 1.00 0.25 H new ATOM 0 HB2 PHE B 49 3.607 3.250 7.970 1.00 0.26 H new ATOM 0 HB3 PHE B 49 3.014 1.899 8.916 1.00 0.26 H new ATOM 0 HD1 PHE B 49 2.639 3.615 5.625 1.00 0.31 H new ATOM 0 HD2 PHE B 49 2.053 0.004 7.870 1.00 0.30 H new ATOM 0 HE1 PHE B 49 2.076 2.410 3.534 1.00 0.35 H new ATOM 0 HE2 PHE B 49 1.471 -1.200 5.782 1.00 0.31 H new ATOM 0 HZ PHE B 49 1.493 0.001 3.615 1.00 0.31 H new ATOM 1699 N ARG B 50 -0.593 2.752 9.490 1.00 0.22 N ATOM 1700 CA ARG B 50 -1.468 2.003 10.437 1.00 0.21 C ATOM 1701 C ARG B 50 -2.875 1.834 9.857 1.00 0.24 C ATOM 1702 O ARG B 50 -3.212 2.400 8.835 1.00 0.30 O ATOM 1703 CB ARG B 50 -1.510 2.857 11.704 1.00 0.31 C ATOM 1704 CG ARG B 50 -2.209 4.183 11.406 1.00 0.44 C ATOM 1705 CD ARG B 50 -1.599 5.285 12.273 1.00 0.66 C ATOM 1706 NE ARG B 50 -2.650 5.611 13.275 1.00 0.72 N ATOM 1707 CZ ARG B 50 -2.592 6.734 13.935 1.00 0.89 C ATOM 1708 NH1 ARG B 50 -3.148 7.808 13.446 1.00 1.18 N ATOM 1709 NH2 ARG B 50 -1.972 6.784 15.082 1.00 0.84 N ATOM 0 H ARG B 50 -1.084 3.306 8.788 1.00 0.22 H new ATOM 0 HA ARG B 50 -1.089 1.000 10.632 1.00 0.21 H new ATOM 0 HB2 ARG B 50 -2.039 2.326 12.495 1.00 0.31 H new ATOM 0 HB3 ARG B 50 -0.498 3.041 12.064 1.00 0.31 H new ATOM 0 HG2 ARG B 50 -2.102 4.434 10.351 1.00 0.44 H new ATOM 0 HG3 ARG B 50 -3.277 4.097 11.606 1.00 0.44 H new ATOM 0 HD2 ARG B 50 -0.684 4.945 12.757 1.00 0.66 H new ATOM 0 HD3 ARG B 50 -1.338 6.159 11.676 1.00 0.66 H new ATOM 0 HE ARG B 50 -3.414 4.957 13.445 1.00 0.72 H new ATOM 0 HH11 ARG B 50 -3.628 7.769 12.547 1.00 1.18 H new ATOM 0 HH12 ARG B 50 -3.102 8.686 13.963 1.00 1.18 H new ATOM 0 HH21 ARG B 50 -1.533 5.945 15.462 1.00 0.84 H new ATOM 0 HH22 ARG B 50 -1.926 7.662 15.599 1.00 0.84 H new ATOM 1723 N SER B 51 -3.697 1.057 10.509 1.00 0.32 N ATOM 1724 CA SER B 51 -5.090 0.834 10.018 1.00 0.48 C ATOM 1725 C SER B 51 -5.999 2.037 10.326 1.00 0.58 C ATOM 1726 O SER B 51 -7.192 1.888 10.496 1.00 0.76 O ATOM 1727 CB SER B 51 -5.572 -0.405 10.770 1.00 0.64 C ATOM 1728 OG SER B 51 -5.751 -0.083 12.142 1.00 0.65 O ATOM 0 H SER B 51 -3.462 0.562 11.369 1.00 0.32 H new ATOM 0 HA SER B 51 -5.118 0.707 8.936 1.00 0.48 H new ATOM 0 HB2 SER B 51 -6.510 -0.761 10.343 1.00 0.64 H new ATOM 0 HB3 SER B 51 -4.847 -1.212 10.666 1.00 0.64 H new ATOM 0 HG SER B 51 -6.062 -0.876 12.626 1.00 0.65 H new ATOM 1734 N ASN B 52 -5.460 3.225 10.400 1.00 0.50 N ATOM 1735 CA ASN B 52 -6.315 4.409 10.694 1.00 0.66 C ATOM 1736 C ASN B 52 -6.245 5.410 9.535 1.00 0.58 C ATOM 1737 O ASN B 52 -6.601 6.565 9.671 1.00 0.69 O ATOM 1738 CB ASN B 52 -5.721 5.006 11.970 1.00 0.81 C ATOM 1739 CG ASN B 52 -6.724 5.969 12.606 1.00 0.87 C ATOM 1740 OD1 ASN B 52 -7.871 6.020 12.209 1.00 1.00 O ATOM 1741 ND2 ASN B 52 -6.335 6.740 13.584 1.00 0.85 N ATOM 0 H ASN B 52 -4.468 3.425 10.270 1.00 0.50 H new ATOM 0 HA ASN B 52 -7.366 4.150 10.818 1.00 0.66 H new ATOM 0 HB2 ASN B 52 -5.471 4.211 12.672 1.00 0.81 H new ATOM 0 HB3 ASN B 52 -4.794 5.531 11.740 1.00 0.81 H new ATOM 0 HD21 ASN B 52 -6.994 7.387 14.017 1.00 0.85 H new ATOM 0 HD22 ASN B 52 -5.372 6.696 13.916 1.00 0.85 H new ATOM 1748 N TYR B 53 -5.803 4.966 8.389 1.00 0.43 N ATOM 1749 CA TYR B 53 -5.718 5.870 7.207 1.00 0.35 C ATOM 1750 C TYR B 53 -6.768 5.443 6.177 1.00 0.31 C ATOM 1751 O TYR B 53 -7.734 4.785 6.507 1.00 0.39 O ATOM 1752 CB TYR B 53 -4.301 5.662 6.659 1.00 0.30 C ATOM 1753 CG TYR B 53 -3.344 6.608 7.347 1.00 0.33 C ATOM 1754 CD1 TYR B 53 -3.689 7.953 7.504 1.00 0.38 C ATOM 1755 CD2 TYR B 53 -2.113 6.139 7.824 1.00 0.36 C ATOM 1756 CE1 TYR B 53 -2.806 8.834 8.140 1.00 0.43 C ATOM 1757 CE2 TYR B 53 -1.229 7.020 8.460 1.00 0.42 C ATOM 1758 CZ TYR B 53 -1.575 8.368 8.618 1.00 0.44 C ATOM 1759 OH TYR B 53 -0.704 9.237 9.243 1.00 0.54 O ATOM 0 H TYR B 53 -5.495 4.008 8.221 1.00 0.43 H new ATOM 0 HA TYR B 53 -5.904 6.916 7.450 1.00 0.35 H new ATOM 0 HB2 TYR B 53 -3.986 4.631 6.820 1.00 0.30 H new ATOM 0 HB3 TYR B 53 -4.288 5.835 5.583 1.00 0.30 H new ATOM 0 HD1 TYR B 53 -4.638 8.313 7.134 1.00 0.38 H new ATOM 0 HD2 TYR B 53 -1.846 5.100 7.702 1.00 0.36 H new ATOM 0 HE1 TYR B 53 -3.074 9.873 8.262 1.00 0.43 H new ATOM 0 HE2 TYR B 53 -0.280 6.660 8.829 1.00 0.42 H new ATOM 0 HH TYR B 53 -1.213 9.944 9.691 1.00 0.54 H new ATOM 1769 N ARG B 54 -6.587 5.791 4.935 1.00 0.26 N ATOM 1770 CA ARG B 54 -7.576 5.377 3.900 1.00 0.24 C ATOM 1771 C ARG B 54 -6.877 4.470 2.887 1.00 0.22 C ATOM 1772 O ARG B 54 -7.499 3.686 2.203 1.00 0.28 O ATOM 1773 CB ARG B 54 -8.035 6.676 3.239 1.00 0.27 C ATOM 1774 CG ARG B 54 -8.596 7.617 4.307 1.00 0.31 C ATOM 1775 CD ARG B 54 -9.991 7.145 4.721 1.00 0.26 C ATOM 1776 NE ARG B 54 -9.807 6.534 6.064 1.00 0.29 N ATOM 1777 CZ ARG B 54 -10.191 7.181 7.129 1.00 0.27 C ATOM 1778 NH1 ARG B 54 -11.460 7.267 7.415 1.00 0.36 N ATOM 1779 NH2 ARG B 54 -9.305 7.739 7.906 1.00 0.49 N ATOM 0 H ARG B 54 -5.801 6.342 4.591 1.00 0.26 H new ATOM 0 HA ARG B 54 -8.421 4.826 4.313 1.00 0.24 H new ATOM 0 HB2 ARG B 54 -7.200 7.150 2.723 1.00 0.27 H new ATOM 0 HB3 ARG B 54 -8.796 6.466 2.487 1.00 0.27 H new ATOM 0 HG2 ARG B 54 -7.935 7.636 5.173 1.00 0.31 H new ATOM 0 HG3 ARG B 54 -8.645 8.635 3.921 1.00 0.31 H new ATOM 0 HD2 ARG B 54 -10.694 7.977 4.759 1.00 0.26 H new ATOM 0 HD3 ARG B 54 -10.390 6.422 4.010 1.00 0.26 H new ATOM 0 HE ARG B 54 -9.382 5.611 6.152 1.00 0.29 H new ATOM 0 HH11 ARG B 54 -12.151 6.829 6.806 1.00 0.36 H new ATOM 0 HH12 ARG B 54 -11.762 7.773 8.248 1.00 0.36 H new ATOM 0 HH21 ARG B 54 -8.313 7.669 7.680 1.00 0.49 H new ATOM 0 HH22 ARG B 54 -9.604 8.245 8.739 1.00 0.49 H new ATOM 1793 N SER B 55 -5.578 4.567 2.807 1.00 0.20 N ATOM 1794 CA SER B 55 -4.803 3.707 1.867 1.00 0.21 C ATOM 1795 C SER B 55 -3.320 4.060 1.976 1.00 0.20 C ATOM 1796 O SER B 55 -2.862 5.045 1.434 1.00 0.25 O ATOM 1797 CB SER B 55 -5.337 4.015 0.463 1.00 0.25 C ATOM 1798 OG SER B 55 -6.243 5.108 0.520 1.00 0.29 O ATOM 0 H SER B 55 -5.014 5.213 3.359 1.00 0.20 H new ATOM 0 HA SER B 55 -4.911 2.646 2.092 1.00 0.21 H new ATOM 0 HB2 SER B 55 -4.510 4.251 -0.207 1.00 0.25 H new ATOM 0 HB3 SER B 55 -5.837 3.137 0.054 1.00 0.25 H new ATOM 0 HG SER B 55 -6.580 5.301 -0.380 1.00 0.29 H new ATOM 1804 N LEU B 56 -2.563 3.259 2.674 1.00 0.20 N ATOM 1805 CA LEU B 56 -1.109 3.553 2.818 1.00 0.21 C ATOM 1806 C LEU B 56 -0.297 2.407 2.231 1.00 0.20 C ATOM 1807 O LEU B 56 -0.481 1.262 2.578 1.00 0.28 O ATOM 1808 CB LEU B 56 -0.845 3.672 4.325 1.00 0.24 C ATOM 1809 CG LEU B 56 -0.511 5.124 4.677 1.00 0.24 C ATOM 1810 CD1 LEU B 56 0.666 5.598 3.827 1.00 0.27 C ATOM 1811 CD2 LEU B 56 -1.726 6.013 4.403 1.00 0.26 C ATOM 0 H LEU B 56 -2.887 2.417 3.149 1.00 0.20 H new ATOM 0 HA LEU B 56 -0.826 4.466 2.295 1.00 0.21 H new ATOM 0 HB2 LEU B 56 -1.721 3.344 4.884 1.00 0.24 H new ATOM 0 HB3 LEU B 56 -0.021 3.019 4.612 1.00 0.24 H new ATOM 0 HG LEU B 56 -0.247 5.186 5.733 1.00 0.24 H new ATOM 0 HD11 LEU B 56 0.903 6.632 4.078 1.00 0.27 H new ATOM 0 HD12 LEU B 56 1.534 4.968 4.024 1.00 0.27 H new ATOM 0 HD13 LEU B 56 0.402 5.532 2.771 1.00 0.27 H new ATOM 0 HD21 LEU B 56 -1.485 7.046 4.655 1.00 0.26 H new ATOM 0 HD22 LEU B 56 -1.993 5.949 3.348 1.00 0.26 H new ATOM 0 HD23 LEU B 56 -2.566 5.678 5.011 1.00 0.26 H new ATOM 1823 N LEU B 57 0.594 2.701 1.337 1.00 0.20 N ATOM 1824 CA LEU B 57 1.406 1.617 0.732 1.00 0.17 C ATOM 1825 C LEU B 57 2.876 1.836 1.053 1.00 0.17 C ATOM 1826 O LEU B 57 3.520 2.696 0.494 1.00 0.24 O ATOM 1827 CB LEU B 57 1.174 1.736 -0.771 1.00 0.19 C ATOM 1828 CG LEU B 57 2.034 0.698 -1.489 1.00 0.21 C ATOM 1829 CD1 LEU B 57 1.824 -0.670 -0.837 1.00 0.32 C ATOM 1830 CD2 LEU B 57 1.628 0.631 -2.962 1.00 0.28 C ATOM 0 H LEU B 57 0.796 3.642 0.998 1.00 0.20 H new ATOM 0 HA LEU B 57 1.130 0.633 1.110 1.00 0.17 H new ATOM 0 HB2 LEU B 57 0.121 1.578 -1.003 1.00 0.19 H new ATOM 0 HB3 LEU B 57 1.429 2.739 -1.113 1.00 0.19 H new ATOM 0 HG LEU B 57 3.085 0.979 -1.416 1.00 0.21 H new ATOM 0 HD11 LEU B 57 2.436 -1.414 -1.347 1.00 0.32 H new ATOM 0 HD12 LEU B 57 2.112 -0.621 0.213 1.00 0.32 H new ATOM 0 HD13 LEU B 57 0.774 -0.951 -0.912 1.00 0.32 H new ATOM 0 HD21 LEU B 57 2.241 -0.110 -3.475 1.00 0.28 H new ATOM 0 HD22 LEU B 57 0.578 0.348 -3.038 1.00 0.28 H new ATOM 0 HD23 LEU B 57 1.775 1.607 -3.425 1.00 0.28 H new ATOM 1842 N CYS B 58 3.414 1.061 1.946 1.00 0.25 N ATOM 1843 CA CYS B 58 4.848 1.216 2.302 1.00 0.26 C ATOM 1844 C CYS B 58 5.503 -0.163 2.389 1.00 0.26 C ATOM 1845 O CYS B 58 4.855 -1.156 2.674 1.00 0.35 O ATOM 1846 CB CYS B 58 4.855 1.922 3.662 1.00 0.30 C ATOM 1847 SG CYS B 58 6.557 2.355 4.115 1.00 0.36 S ATOM 0 H CYS B 58 2.921 0.323 2.448 1.00 0.25 H new ATOM 0 HA CYS B 58 5.407 1.789 1.562 1.00 0.26 H new ATOM 0 HB2 CYS B 58 4.240 2.821 3.620 1.00 0.30 H new ATOM 0 HB3 CYS B 58 4.420 1.273 4.422 1.00 0.30 H new ATOM 1852 N CYS B 59 6.778 -0.234 2.131 1.00 0.23 N ATOM 1853 CA CYS B 59 7.478 -1.546 2.181 1.00 0.25 C ATOM 1854 C CYS B 59 8.573 -1.517 3.247 1.00 0.31 C ATOM 1855 O CYS B 59 9.231 -2.505 3.506 1.00 0.44 O ATOM 1856 CB CYS B 59 8.075 -1.715 0.787 1.00 0.26 C ATOM 1857 SG CYS B 59 6.746 -1.676 -0.440 1.00 0.33 S ATOM 0 H CYS B 59 7.367 0.562 1.887 1.00 0.23 H new ATOM 0 HA CYS B 59 6.814 -2.370 2.441 1.00 0.25 H new ATOM 0 HB2 CYS B 59 8.793 -0.920 0.587 1.00 0.26 H new ATOM 0 HB3 CYS B 59 8.617 -2.658 0.723 1.00 0.26 H new ATOM 1862 N THR B 60 8.758 -0.391 3.877 1.00 0.32 N ATOM 1863 CA THR B 60 9.794 -0.291 4.942 1.00 0.44 C ATOM 1864 C THR B 60 11.152 -0.782 4.420 1.00 0.43 C ATOM 1865 O THR B 60 12.045 -1.086 5.186 1.00 0.52 O ATOM 1866 CB THR B 60 9.284 -1.188 6.083 1.00 0.53 C ATOM 1867 OG1 THR B 60 9.617 -2.542 5.807 1.00 0.53 O ATOM 1868 CG2 THR B 60 7.758 -1.052 6.215 1.00 0.60 C ATOM 0 H THR B 60 8.235 0.467 3.700 1.00 0.32 H new ATOM 0 HA THR B 60 9.945 0.736 5.274 1.00 0.44 H new ATOM 0 HB THR B 60 9.753 -0.879 7.017 1.00 0.53 H new ATOM 0 HG1 THR B 60 9.049 -2.877 5.082 1.00 0.53 H new ATOM 0 HG21 THR B 60 7.405 -1.690 7.025 1.00 0.60 H new ATOM 0 HG22 THR B 60 7.503 -0.015 6.432 1.00 0.60 H new ATOM 0 HG23 THR B 60 7.284 -1.354 5.281 1.00 0.60 H new ATOM 1876 N THR B 61 11.322 -0.859 3.122 1.00 0.35 N ATOM 1877 CA THR B 61 12.631 -1.329 2.568 1.00 0.36 C ATOM 1878 C THR B 61 12.957 -0.616 1.250 1.00 0.32 C ATOM 1879 O THR B 61 12.309 0.336 0.864 1.00 0.39 O ATOM 1880 CB THR B 61 12.458 -2.826 2.321 1.00 0.37 C ATOM 1881 OG1 THR B 61 11.236 -3.060 1.633 1.00 0.44 O ATOM 1882 CG2 THR B 61 12.444 -3.572 3.656 1.00 0.48 C ATOM 0 H THR B 61 10.616 -0.618 2.426 1.00 0.35 H new ATOM 0 HA THR B 61 13.450 -1.116 3.256 1.00 0.36 H new ATOM 0 HB THR B 61 13.289 -3.187 1.715 1.00 0.37 H new ATOM 0 HG1 THR B 61 10.488 -2.994 2.263 1.00 0.44 H new ATOM 0 HG21 THR B 61 12.320 -4.640 3.475 1.00 0.48 H new ATOM 0 HG22 THR B 61 13.384 -3.399 4.179 1.00 0.48 H new ATOM 0 HG23 THR B 61 11.617 -3.209 4.267 1.00 0.48 H new ATOM 1890 N ASP B 62 13.967 -1.080 0.559 1.00 0.30 N ATOM 1891 CA ASP B 62 14.354 -0.446 -0.736 1.00 0.30 C ATOM 1892 C ASP B 62 14.012 -1.380 -1.904 1.00 0.25 C ATOM 1893 O ASP B 62 14.042 -2.586 -1.771 1.00 0.33 O ATOM 1894 CB ASP B 62 15.870 -0.257 -0.633 1.00 0.36 C ATOM 1895 CG ASP B 62 16.541 -1.615 -0.409 1.00 0.38 C ATOM 1896 OD1 ASP B 62 16.296 -2.514 -1.198 1.00 0.50 O ATOM 1897 OD2 ASP B 62 17.288 -1.736 0.548 1.00 0.49 O ATOM 0 H ASP B 62 14.542 -1.875 0.838 1.00 0.30 H new ATOM 0 HA ASP B 62 13.830 0.493 -0.915 1.00 0.30 H new ATOM 0 HB2 ASP B 62 16.252 0.203 -1.544 1.00 0.36 H new ATOM 0 HB3 ASP B 62 16.108 0.418 0.189 1.00 0.36 H new ATOM 1902 N ASN B 63 13.683 -0.834 -3.048 1.00 0.21 N ATOM 1903 CA ASN B 63 13.341 -1.698 -4.213 1.00 0.23 C ATOM 1904 C ASN B 63 12.193 -2.635 -3.842 1.00 0.23 C ATOM 1905 O ASN B 63 12.295 -3.839 -3.963 1.00 0.35 O ATOM 1906 CB ASN B 63 14.613 -2.497 -4.507 1.00 0.26 C ATOM 1907 CG ASN B 63 15.736 -1.543 -4.915 1.00 0.30 C ATOM 1908 OD1 ASN B 63 16.411 -0.986 -4.072 1.00 0.38 O ATOM 1909 ND2 ASN B 63 15.966 -1.331 -6.182 1.00 0.39 N ATOM 0 H ASN B 63 13.637 0.170 -3.223 1.00 0.21 H new ATOM 0 HA ASN B 63 13.019 -1.120 -5.079 1.00 0.23 H new ATOM 0 HB2 ASN B 63 14.908 -3.067 -3.626 1.00 0.26 H new ATOM 0 HB3 ASN B 63 14.426 -3.217 -5.304 1.00 0.26 H new ATOM 0 HD21 ASN B 63 16.713 -0.697 -6.466 1.00 0.39 H new ATOM 0 HD22 ASN B 63 15.399 -1.799 -6.889 1.00 0.39 H new ATOM 1916 N CYS B 64 11.106 -2.088 -3.382 1.00 0.26 N ATOM 1917 CA CYS B 64 9.947 -2.937 -2.989 1.00 0.26 C ATOM 1918 C CYS B 64 9.453 -3.773 -4.172 1.00 0.26 C ATOM 1919 O CYS B 64 9.061 -4.913 -4.017 1.00 0.38 O ATOM 1920 CB CYS B 64 8.869 -1.942 -2.565 1.00 0.33 C ATOM 1921 SG CYS B 64 7.430 -2.841 -1.940 1.00 0.38 S ATOM 0 H CYS B 64 10.968 -1.085 -3.260 1.00 0.26 H new ATOM 0 HA CYS B 64 10.208 -3.640 -2.198 1.00 0.26 H new ATOM 0 HB2 CYS B 64 9.257 -1.275 -1.795 1.00 0.33 H new ATOM 0 HB3 CYS B 64 8.582 -1.318 -3.411 1.00 0.33 H new ATOM 1926 N ASN B 65 9.457 -3.216 -5.352 1.00 0.25 N ATOM 1927 CA ASN B 65 8.969 -3.988 -6.536 1.00 0.31 C ATOM 1928 C ASN B 65 10.091 -4.862 -7.108 1.00 0.29 C ATOM 1929 O ASN B 65 11.131 -4.375 -7.508 1.00 0.42 O ATOM 1930 CB ASN B 65 8.527 -2.937 -7.557 1.00 0.48 C ATOM 1931 CG ASN B 65 7.733 -3.609 -8.679 1.00 0.61 C ATOM 1932 OD1 ASN B 65 8.150 -4.617 -9.215 1.00 1.10 O ATOM 1933 ND2 ASN B 65 6.598 -3.090 -9.062 1.00 0.81 N ATOM 0 H ASN B 65 9.774 -2.267 -5.550 1.00 0.25 H new ATOM 0 HA ASN B 65 8.152 -4.660 -6.272 1.00 0.31 H new ATOM 0 HB2 ASN B 65 7.915 -2.178 -7.070 1.00 0.48 H new ATOM 0 HB3 ASN B 65 9.398 -2.428 -7.969 1.00 0.48 H new ATOM 0 HD21 ASN B 65 6.062 -3.530 -9.810 1.00 0.81 H new ATOM 0 HD22 ASN B 65 6.247 -2.244 -8.613 1.00 0.81 H new ATOM 1940 N HIS B 66 9.879 -6.149 -7.159 1.00 0.43 N ATOM 1941 CA HIS B 66 10.904 -7.062 -7.705 1.00 0.58 C ATOM 1942 C HIS B 66 10.261 -8.393 -8.105 1.00 0.67 C ATOM 1943 O HIS B 66 9.304 -8.361 -8.862 1.00 0.68 O ATOM 1944 CB HIS B 66 11.918 -7.264 -6.577 1.00 0.80 C ATOM 1945 CG HIS B 66 13.282 -7.517 -7.161 1.00 1.04 C ATOM 1946 ND1 HIS B 66 13.488 -7.664 -8.524 1.00 1.18 N ATOM 1947 CD2 HIS B 66 14.519 -7.656 -6.579 1.00 1.27 C ATOM 1948 CE1 HIS B 66 14.802 -7.881 -8.715 1.00 1.37 C ATOM 1949 NE2 HIS B 66 15.477 -7.885 -7.563 1.00 1.45 N ATOM 1950 OXT HIS B 66 10.733 -9.419 -7.644 1.00 0.83 O ATOM 0 H HIS B 66 9.025 -6.606 -6.839 1.00 0.43 H new ATOM 0 HA HIS B 66 11.380 -6.657 -8.598 1.00 0.58 H new ATOM 0 HB2 HIS B 66 11.944 -6.383 -5.936 1.00 0.80 H new ATOM 0 HB3 HIS B 66 11.618 -8.105 -5.951 1.00 0.80 H new ATOM 0 HD2 HIS B 66 14.718 -7.597 -5.519 1.00 1.27 H new ATOM 0 HE1 HIS B 66 15.256 -8.034 -9.683 1.00 1.37 H new ATOM 0 HE2 HIS B 66 16.479 -8.026 -7.432 1.00 1.45 H new TER 1958 HIS B 66