USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=32 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+ -163:sc= -1.99! (180deg=-2.01!) USER MOD Single : A 2 THR OG1 : rot 161:sc= -6.38! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 129:sc= -1.49! USER MOD Single : A 10 THR OG1 : rot 180:sc= -3.19! USER MOD Single : A 12 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.14) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.799 USER MOD Single : A 16 ASN : amide:sc= -0.0188 K(o=-0.019,f=-1.1) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc=-0.000553 X(o=-0.00055,f=-0.42) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -80:sc= 0.231 USER MOD Single : A 40 GLN : amide:sc= -0.304 K(o=-0.3,f=-2.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0271 X(o=-0.027,f=-0.16) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -126:sc= -1.72 USER MOD Single : A 61 THR OG1 : rot -118:sc= -0.0398 USER MOD Single : A 63 ASN :FLIP amide:sc= -5.35! C(o=-9.7!,f=-5.3!) USER MOD Single : A 65 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.43) USER MOD Single : A 66 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-5.9!) USER MOD Single : B 1 ARG N :NH3+ -142:sc= -1.95! (180deg=-2.04!) USER MOD Single : B 2 THR OG1 : rot 155:sc= -6.32! USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 129:sc= -1.56! USER MOD Single : B 10 THR OG1 : rot 180:sc= -3.18! USER MOD Single : B 12 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.12) USER MOD Single : B 13 THR OG1 : rot 180:sc= -0.845 USER MOD Single : B 16 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1.1) USER MOD Single : B 18 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.38) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -81:sc= 0.215 USER MOD Single : B 40 GLN : amide:sc= -0.361 K(o=-0.36,f=-2.4!) USER MOD Single : B 45 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.17) USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 60 THR OG1 : rot -120:sc= -2.01 USER MOD Single : B 61 THR OG1 : rot -131:sc=-0.00946 USER MOD Single : B 63 ASN :FLIP amide:sc= -5.68! C(o=-9.9!,f=-5.7!) USER MOD Single : B 65 ASN : amide:sc=-0.00902 X(o=-0.009,f=-0.42) USER MOD Single : B 66 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -15.466 -9.285 3.564 1.00 1.34 N ATOM 2 CA ARG A 1 -16.596 -9.549 2.626 1.00 1.19 C ATOM 3 C ARG A 1 -16.248 -9.018 1.230 1.00 1.04 C ATOM 4 O ARG A 1 -16.065 -9.770 0.296 1.00 1.30 O ATOM 5 CB ARG A 1 -17.778 -8.781 3.220 1.00 1.06 C ATOM 6 CG ARG A 1 -19.032 -9.051 2.391 1.00 0.84 C ATOM 7 CD ARG A 1 -20.247 -8.477 3.117 1.00 0.81 C ATOM 8 NE ARG A 1 -21.428 -9.072 2.434 1.00 0.94 N ATOM 9 CZ ARG A 1 -22.629 -8.688 2.765 1.00 0.96 C ATOM 10 NH1 ARG A 1 -23.149 -9.076 3.897 1.00 1.21 N ATOM 11 NH2 ARG A 1 -23.311 -7.912 1.967 1.00 0.91 N ATOM 0 H1 ARG A 1 -15.570 -9.882 4.409 1.00 1.34 H new ATOM 0 H2 ARG A 1 -14.565 -9.505 3.093 1.00 1.34 H new ATOM 0 H3 ARG A 1 -15.474 -8.284 3.844 1.00 1.34 H new ATOM 0 HA ARG A 1 -16.815 -10.611 2.515 1.00 1.19 H new ATOM 0 HB2 ARG A 1 -17.940 -9.086 4.254 1.00 1.06 H new ATOM 0 HB3 ARG A 1 -17.561 -7.713 3.233 1.00 1.06 H new ATOM 0 HG2 ARG A 1 -18.935 -8.597 1.405 1.00 0.84 H new ATOM 0 HG3 ARG A 1 -19.158 -10.123 2.238 1.00 0.84 H new ATOM 0 HD2 ARG A 1 -20.232 -8.737 4.175 1.00 0.81 H new ATOM 0 HD3 ARG A 1 -20.264 -7.389 3.056 1.00 0.81 H new ATOM 0 HE ARG A 1 -21.298 -9.778 1.709 1.00 0.94 H new ATOM 0 HH11 ARG A 1 -22.616 -9.680 4.523 1.00 1.21 H new ATOM 0 HH12 ARG A 1 -24.089 -8.776 4.156 1.00 1.21 H new ATOM 0 HH21 ARG A 1 -22.904 -7.605 1.083 1.00 0.91 H new ATOM 0 HH22 ARG A 1 -24.251 -7.612 2.227 1.00 0.91 H new ATOM 27 N THR A 2 -16.149 -7.724 1.096 1.00 0.78 N ATOM 28 CA THR A 2 -15.804 -7.114 -0.222 1.00 0.65 C ATOM 29 C THR A 2 -15.284 -5.690 -0.001 1.00 0.54 C ATOM 30 O THR A 2 -14.512 -5.430 0.898 1.00 0.63 O ATOM 31 CB THR A 2 -17.090 -7.054 -0.996 1.00 0.66 C ATOM 32 OG1 THR A 2 -17.853 -8.197 -0.678 1.00 0.85 O ATOM 33 CG2 THR A 2 -16.717 -7.018 -2.482 1.00 0.63 C ATOM 0 H THR A 2 -16.294 -7.055 1.852 1.00 0.78 H new ATOM 0 HA THR A 2 -15.039 -7.688 -0.746 1.00 0.65 H new ATOM 0 HB THR A 2 -17.685 -6.174 -0.752 1.00 0.66 H new ATOM 0 HG1 THR A 2 -18.792 -8.039 -0.911 1.00 0.85 H new ATOM 0 HG21 THR A 2 -17.625 -6.974 -3.084 1.00 0.63 H new ATOM 0 HG22 THR A 2 -16.106 -6.138 -2.682 1.00 0.63 H new ATOM 0 HG23 THR A 2 -16.155 -7.916 -2.738 1.00 0.63 H new ATOM 41 N CYS A 3 -15.737 -4.759 -0.797 1.00 0.48 N ATOM 42 CA CYS A 3 -15.310 -3.341 -0.620 1.00 0.49 C ATOM 43 C CYS A 3 -16.438 -2.415 -1.099 1.00 0.45 C ATOM 44 O CYS A 3 -16.728 -1.401 -0.495 1.00 0.63 O ATOM 45 CB CYS A 3 -14.055 -3.188 -1.474 1.00 0.49 C ATOM 46 SG CYS A 3 -12.642 -2.837 -0.397 1.00 0.57 S ATOM 0 H CYS A 3 -16.388 -4.921 -1.566 1.00 0.48 H new ATOM 0 HA CYS A 3 -15.102 -3.081 0.418 1.00 0.49 H new ATOM 0 HB2 CYS A 3 -13.875 -4.099 -2.044 1.00 0.49 H new ATOM 0 HB3 CYS A 3 -14.187 -2.381 -2.195 1.00 0.49 H new ATOM 51 N LEU A 4 -17.085 -2.781 -2.175 1.00 0.38 N ATOM 52 CA LEU A 4 -18.218 -1.968 -2.712 1.00 0.43 C ATOM 53 C LEU A 4 -19.367 -2.930 -3.067 1.00 0.51 C ATOM 54 O LEU A 4 -19.525 -3.949 -2.425 1.00 0.67 O ATOM 55 CB LEU A 4 -17.663 -1.233 -3.953 1.00 0.44 C ATOM 56 CG LEU A 4 -16.549 -2.049 -4.626 1.00 0.36 C ATOM 57 CD1 LEU A 4 -17.063 -3.443 -4.980 1.00 0.41 C ATOM 58 CD2 LEU A 4 -16.110 -1.352 -5.913 1.00 0.44 C ATOM 0 H LEU A 4 -16.873 -3.622 -2.713 1.00 0.38 H new ATOM 0 HA LEU A 4 -18.609 -1.239 -2.003 1.00 0.43 H new ATOM 0 HB2 LEU A 4 -18.469 -1.055 -4.665 1.00 0.44 H new ATOM 0 HB3 LEU A 4 -17.277 -0.257 -3.659 1.00 0.44 H new ATOM 0 HG LEU A 4 -15.709 -2.130 -3.936 1.00 0.36 H new ATOM 0 HD11 LEU A 4 -16.266 -4.014 -5.457 1.00 0.41 H new ATOM 0 HD12 LEU A 4 -17.383 -3.954 -4.072 1.00 0.41 H new ATOM 0 HD13 LEU A 4 -17.907 -3.357 -5.664 1.00 0.41 H new ATOM 0 HD21 LEU A 4 -15.320 -1.932 -6.389 1.00 0.44 H new ATOM 0 HD22 LEU A 4 -16.960 -1.271 -6.591 1.00 0.44 H new ATOM 0 HD23 LEU A 4 -15.737 -0.355 -5.678 1.00 0.44 H new ATOM 70 N ILE A 5 -20.162 -2.660 -4.077 1.00 0.55 N ATOM 71 CA ILE A 5 -21.243 -3.625 -4.404 1.00 0.74 C ATOM 72 C ILE A 5 -21.784 -3.413 -5.838 1.00 0.77 C ATOM 73 O ILE A 5 -21.086 -2.909 -6.694 1.00 0.77 O ATOM 74 CB ILE A 5 -22.276 -3.416 -3.298 1.00 0.82 C ATOM 75 CG1 ILE A 5 -22.690 -4.794 -2.802 1.00 0.76 C ATOM 76 CG2 ILE A 5 -23.502 -2.643 -3.786 1.00 0.86 C ATOM 77 CD1 ILE A 5 -22.190 -4.992 -1.371 1.00 0.94 C ATOM 0 H ILE A 5 -20.107 -1.833 -4.672 1.00 0.55 H new ATOM 0 HA ILE A 5 -20.908 -4.662 -4.423 1.00 0.74 H new ATOM 0 HB ILE A 5 -21.834 -2.819 -2.500 1.00 0.82 H new ATOM 0 HG12 ILE A 5 -23.775 -4.894 -2.837 1.00 0.76 H new ATOM 0 HG13 ILE A 5 -22.278 -5.565 -3.453 1.00 0.76 H new ATOM 0 HG21 ILE A 5 -24.206 -2.521 -2.963 1.00 0.86 H new ATOM 0 HG22 ILE A 5 -23.193 -1.662 -4.148 1.00 0.86 H new ATOM 0 HG23 ILE A 5 -23.981 -3.194 -4.595 1.00 0.86 H new ATOM 0 HD11 ILE A 5 -22.486 -5.979 -1.015 1.00 0.94 H new ATOM 0 HD12 ILE A 5 -21.103 -4.910 -1.351 1.00 0.94 H new ATOM 0 HD13 ILE A 5 -22.623 -4.228 -0.725 1.00 0.94 H new ATOM 89 N SER A 6 -22.999 -3.832 -6.124 1.00 0.91 N ATOM 90 CA SER A 6 -23.529 -3.682 -7.523 1.00 0.98 C ATOM 91 C SER A 6 -23.849 -2.216 -7.871 1.00 0.90 C ATOM 92 O SER A 6 -23.197 -1.639 -8.718 1.00 0.90 O ATOM 93 CB SER A 6 -24.789 -4.549 -7.591 1.00 1.33 C ATOM 94 OG SER A 6 -25.569 -4.144 -8.710 1.00 1.48 O ATOM 0 H SER A 6 -23.639 -4.266 -5.459 1.00 0.91 H new ATOM 0 HA SER A 6 -22.781 -3.997 -8.251 1.00 0.98 H new ATOM 0 HB2 SER A 6 -24.518 -5.601 -7.682 1.00 1.33 H new ATOM 0 HB3 SER A 6 -25.367 -4.447 -6.672 1.00 1.33 H new ATOM 0 HG SER A 6 -26.377 -4.696 -8.762 1.00 1.48 H new ATOM 100 N PRO A 7 -24.840 -1.652 -7.218 1.00 0.93 N ATOM 101 CA PRO A 7 -25.224 -0.237 -7.485 1.00 0.97 C ATOM 102 C PRO A 7 -24.098 0.704 -7.061 1.00 1.14 C ATOM 103 O PRO A 7 -24.133 1.893 -7.312 1.00 1.16 O ATOM 104 CB PRO A 7 -26.465 -0.033 -6.616 1.00 1.16 C ATOM 105 CG PRO A 7 -26.331 -1.054 -5.536 1.00 1.20 C ATOM 106 CD PRO A 7 -25.684 -2.248 -6.180 1.00 0.99 C ATOM 0 HA PRO A 7 -25.412 -0.031 -8.539 1.00 0.97 H new ATOM 0 HB2 PRO A 7 -26.502 0.976 -6.207 1.00 1.16 H new ATOM 0 HB3 PRO A 7 -27.380 -0.178 -7.189 1.00 1.16 H new ATOM 0 HG2 PRO A 7 -25.724 -0.676 -4.714 1.00 1.20 H new ATOM 0 HG3 PRO A 7 -27.305 -1.314 -5.120 1.00 1.20 H new ATOM 0 HD2 PRO A 7 -25.096 -2.823 -5.464 1.00 0.99 H new ATOM 0 HD3 PRO A 7 -26.424 -2.927 -6.603 1.00 0.99 H new ATOM 114 N SER A 8 -23.101 0.173 -6.418 1.00 1.37 N ATOM 115 CA SER A 8 -21.956 1.008 -5.971 1.00 1.59 C ATOM 116 C SER A 8 -20.849 0.977 -7.010 1.00 1.45 C ATOM 117 O SER A 8 -20.274 1.986 -7.370 1.00 1.69 O ATOM 118 CB SER A 8 -21.458 0.318 -4.712 1.00 1.76 C ATOM 119 OG SER A 8 -22.248 0.725 -3.601 1.00 1.98 O ATOM 0 H SER A 8 -23.029 -0.816 -6.180 1.00 1.37 H new ATOM 0 HA SER A 8 -22.243 2.048 -5.814 1.00 1.59 H new ATOM 0 HB2 SER A 8 -21.512 -0.764 -4.833 1.00 1.76 H new ATOM 0 HB3 SER A 8 -20.411 0.568 -4.538 1.00 1.76 H new ATOM 0 HG SER A 8 -21.927 0.278 -2.790 1.00 1.98 H new ATOM 125 N SER A 9 -20.522 -0.199 -7.456 1.00 1.10 N ATOM 126 CA SER A 9 -19.434 -0.354 -8.426 1.00 0.92 C ATOM 127 C SER A 9 -19.624 -1.641 -9.210 1.00 1.18 C ATOM 128 O SER A 9 -20.634 -1.858 -9.849 1.00 1.53 O ATOM 129 CB SER A 9 -18.190 -0.375 -7.544 1.00 0.90 C ATOM 130 OG SER A 9 -17.044 -0.614 -8.346 1.00 1.28 O ATOM 0 H SER A 9 -20.977 -1.069 -7.178 1.00 1.10 H new ATOM 0 HA SER A 9 -19.380 0.432 -9.179 1.00 0.92 H new ATOM 0 HB2 SER A 9 -18.088 0.575 -7.019 1.00 0.90 H new ATOM 0 HB3 SER A 9 -18.283 -1.151 -6.784 1.00 0.90 H new ATOM 0 HG SER A 9 -16.364 0.065 -8.155 1.00 1.28 H new ATOM 136 N THR A 10 -18.653 -2.465 -9.190 1.00 0.98 N ATOM 137 CA THR A 10 -18.737 -3.740 -9.966 1.00 1.13 C ATOM 138 C THR A 10 -18.668 -4.975 -9.043 1.00 1.09 C ATOM 139 O THR A 10 -19.593 -5.764 -9.040 1.00 1.02 O ATOM 140 CB THR A 10 -17.565 -3.712 -10.967 1.00 1.00 C ATOM 141 OG1 THR A 10 -16.744 -4.854 -10.773 1.00 0.79 O ATOM 142 CG2 THR A 10 -16.733 -2.434 -10.780 1.00 1.17 C ATOM 0 H THR A 10 -17.786 -2.329 -8.671 1.00 0.98 H new ATOM 0 HA THR A 10 -19.692 -3.819 -10.485 1.00 1.13 H new ATOM 0 HB THR A 10 -17.966 -3.722 -11.980 1.00 1.00 H new ATOM 0 HG1 THR A 10 -16.001 -4.835 -11.411 1.00 0.79 H new ATOM 0 HG21 THR A 10 -15.909 -2.428 -11.494 1.00 1.17 H new ATOM 0 HG22 THR A 10 -17.364 -1.561 -10.948 1.00 1.17 H new ATOM 0 HG23 THR A 10 -16.335 -2.404 -9.766 1.00 1.17 H new ATOM 150 N PRO A 11 -17.608 -5.126 -8.278 1.00 1.27 N ATOM 151 CA PRO A 11 -17.530 -6.300 -7.376 1.00 1.43 C ATOM 152 C PRO A 11 -18.530 -6.163 -6.205 1.00 1.21 C ATOM 153 O PRO A 11 -19.267 -5.204 -6.121 1.00 1.35 O ATOM 154 CB PRO A 11 -16.064 -6.350 -6.952 1.00 1.80 C ATOM 155 CG PRO A 11 -15.524 -4.970 -7.158 1.00 1.67 C ATOM 156 CD PRO A 11 -16.419 -4.263 -8.162 1.00 1.54 C ATOM 0 HA PRO A 11 -17.819 -7.239 -7.849 1.00 1.43 H new ATOM 0 HB2 PRO A 11 -15.970 -6.653 -5.909 1.00 1.80 H new ATOM 0 HB3 PRO A 11 -15.511 -7.077 -7.546 1.00 1.80 H new ATOM 0 HG2 PRO A 11 -15.503 -4.424 -6.215 1.00 1.67 H new ATOM 0 HG3 PRO A 11 -14.498 -5.012 -7.525 1.00 1.67 H new ATOM 0 HD2 PRO A 11 -16.687 -3.264 -7.818 1.00 1.54 H new ATOM 0 HD3 PRO A 11 -15.920 -4.146 -9.124 1.00 1.54 H new ATOM 164 N GLN A 12 -18.581 -7.134 -5.324 1.00 0.99 N ATOM 165 CA GLN A 12 -19.546 -7.096 -4.186 1.00 1.01 C ATOM 166 C GLN A 12 -19.141 -8.139 -3.138 1.00 1.07 C ATOM 167 O GLN A 12 -19.599 -8.103 -2.016 1.00 1.08 O ATOM 168 CB GLN A 12 -20.915 -7.426 -4.791 1.00 0.98 C ATOM 169 CG GLN A 12 -20.936 -8.882 -5.261 1.00 1.15 C ATOM 170 CD GLN A 12 -21.727 -8.985 -6.567 1.00 1.15 C ATOM 171 OE1 GLN A 12 -22.591 -9.828 -6.703 1.00 1.44 O ATOM 172 NE2 GLN A 12 -21.467 -8.159 -7.543 1.00 1.04 N ATOM 0 H GLN A 12 -17.985 -7.962 -5.348 1.00 0.99 H new ATOM 0 HA GLN A 12 -19.564 -6.127 -3.688 1.00 1.01 H new ATOM 0 HB2 GLN A 12 -21.699 -7.261 -4.052 1.00 0.98 H new ATOM 0 HB3 GLN A 12 -21.123 -6.761 -5.629 1.00 0.98 H new ATOM 0 HG2 GLN A 12 -19.918 -9.242 -5.411 1.00 1.15 H new ATOM 0 HG3 GLN A 12 -21.389 -9.515 -4.498 1.00 1.15 H new ATOM 0 HE21 GLN A 12 -20.742 -7.450 -7.432 1.00 1.04 H new ATOM 0 HE22 GLN A 12 -21.989 -8.222 -8.417 1.00 1.04 H new ATOM 181 N THR A 13 -18.285 -9.073 -3.509 1.00 1.20 N ATOM 182 CA THR A 13 -17.823 -10.114 -2.573 1.00 1.23 C ATOM 183 C THR A 13 -16.352 -10.413 -2.816 1.00 0.97 C ATOM 184 O THR A 13 -15.828 -10.180 -3.887 1.00 1.17 O ATOM 185 CB THR A 13 -18.583 -11.346 -2.986 1.00 1.56 C ATOM 186 OG1 THR A 13 -19.821 -10.978 -3.580 1.00 1.88 O ATOM 187 CG2 THR A 13 -18.821 -12.251 -1.777 1.00 1.58 C ATOM 0 H THR A 13 -17.889 -9.143 -4.446 1.00 1.20 H new ATOM 0 HA THR A 13 -17.968 -9.814 -1.535 1.00 1.23 H new ATOM 0 HB THR A 13 -17.992 -11.896 -3.719 1.00 1.56 H new ATOM 0 HG1 THR A 13 -20.308 -11.785 -3.847 1.00 1.88 H new ATOM 0 HG21 THR A 13 -19.372 -13.138 -2.089 1.00 1.58 H new ATOM 0 HG22 THR A 13 -17.863 -12.550 -1.352 1.00 1.58 H new ATOM 0 HG23 THR A 13 -19.399 -11.711 -1.027 1.00 1.58 H new ATOM 195 N CYS A 14 -15.696 -10.986 -1.860 1.00 0.58 N ATOM 196 CA CYS A 14 -14.284 -11.360 -2.078 1.00 0.48 C ATOM 197 C CYS A 14 -13.992 -12.662 -1.320 1.00 0.27 C ATOM 198 O CYS A 14 -14.812 -13.113 -0.544 1.00 0.36 O ATOM 199 CB CYS A 14 -13.461 -10.199 -1.514 1.00 0.59 C ATOM 200 SG CYS A 14 -13.339 -8.874 -2.740 1.00 0.72 S ATOM 0 H CYS A 14 -16.074 -11.211 -0.940 1.00 0.58 H new ATOM 0 HA CYS A 14 -14.047 -11.530 -3.128 1.00 0.48 H new ATOM 0 HB2 CYS A 14 -13.926 -9.821 -0.603 1.00 0.59 H new ATOM 0 HB3 CYS A 14 -12.464 -10.547 -1.242 1.00 0.59 H new ATOM 205 N PRO A 15 -12.836 -13.229 -1.555 1.00 0.53 N ATOM 206 CA PRO A 15 -12.468 -14.489 -0.860 1.00 0.78 C ATOM 207 C PRO A 15 -12.308 -14.237 0.637 1.00 0.92 C ATOM 208 O PRO A 15 -12.114 -13.119 1.071 1.00 1.19 O ATOM 209 CB PRO A 15 -11.133 -14.873 -1.494 1.00 1.07 C ATOM 210 CG PRO A 15 -10.583 -13.585 -2.004 1.00 1.16 C ATOM 211 CD PRO A 15 -11.772 -12.779 -2.458 1.00 0.87 C ATOM 0 HA PRO A 15 -13.220 -15.272 -0.960 1.00 0.78 H new ATOM 0 HB2 PRO A 15 -10.464 -15.331 -0.765 1.00 1.07 H new ATOM 0 HB3 PRO A 15 -11.268 -15.595 -2.300 1.00 1.07 H new ATOM 0 HG2 PRO A 15 -10.030 -13.060 -1.225 1.00 1.16 H new ATOM 0 HG3 PRO A 15 -9.889 -13.755 -2.827 1.00 1.16 H new ATOM 0 HD2 PRO A 15 -11.592 -11.708 -2.368 1.00 0.87 H new ATOM 0 HD3 PRO A 15 -12.018 -12.975 -3.502 1.00 0.87 H new ATOM 219 N ASN A 16 -12.391 -15.265 1.430 1.00 0.74 N ATOM 220 CA ASN A 16 -12.243 -15.083 2.898 1.00 0.81 C ATOM 221 C ASN A 16 -10.958 -14.313 3.201 1.00 0.84 C ATOM 222 O ASN A 16 -10.891 -13.560 4.152 1.00 0.92 O ATOM 223 CB ASN A 16 -12.174 -16.499 3.468 1.00 0.90 C ATOM 224 CG ASN A 16 -12.256 -16.446 4.995 1.00 0.90 C ATOM 225 OD1 ASN A 16 -12.946 -15.615 5.554 1.00 0.96 O ATOM 226 ND2 ASN A 16 -11.575 -17.310 5.697 1.00 0.96 N ATOM 0 H ASN A 16 -12.555 -16.224 1.125 1.00 0.74 H new ATOM 0 HA ASN A 16 -13.064 -14.513 3.333 1.00 0.81 H new ATOM 0 HB2 ASN A 16 -12.991 -17.101 3.071 1.00 0.90 H new ATOM 0 HB3 ASN A 16 -11.245 -16.980 3.161 1.00 0.90 H new ATOM 0 HD21 ASN A 16 -11.621 -17.289 6.716 1.00 0.96 H new ATOM 0 HD22 ASN A 16 -10.997 -18.006 5.227 1.00 0.96 H new ATOM 233 N GLY A 17 -9.943 -14.502 2.395 1.00 0.80 N ATOM 234 CA GLY A 17 -8.646 -13.787 2.616 1.00 0.80 C ATOM 235 C GLY A 17 -8.363 -13.662 4.114 1.00 0.76 C ATOM 236 O GLY A 17 -8.795 -14.473 4.908 1.00 0.93 O ATOM 0 H GLY A 17 -9.956 -15.125 1.588 1.00 0.80 H new ATOM 0 HA2 GLY A 17 -7.835 -14.329 2.129 1.00 0.80 H new ATOM 0 HA3 GLY A 17 -8.686 -12.797 2.162 1.00 0.80 H new ATOM 240 N GLN A 18 -7.641 -12.648 4.503 1.00 0.61 N ATOM 241 CA GLN A 18 -7.331 -12.466 5.951 1.00 0.51 C ATOM 242 C GLN A 18 -7.397 -10.978 6.335 1.00 0.41 C ATOM 243 O GLN A 18 -7.806 -10.629 7.424 1.00 0.48 O ATOM 244 CB GLN A 18 -5.908 -13.001 6.119 1.00 0.54 C ATOM 245 CG GLN A 18 -5.583 -13.130 7.608 1.00 0.49 C ATOM 246 CD GLN A 18 -4.155 -13.648 7.777 1.00 0.52 C ATOM 247 OE1 GLN A 18 -3.210 -13.188 7.003 1.00 0.66 O flip ATOM 248 NE2 GLN A 18 -3.897 -14.483 8.622 1.00 0.56 N flip ATOM 0 H GLN A 18 -7.252 -11.938 3.883 1.00 0.61 H new ATOM 0 HA GLN A 18 -8.044 -12.986 6.592 1.00 0.51 H new ATOM 0 HB2 GLN A 18 -5.813 -13.970 5.630 1.00 0.54 H new ATOM 0 HB3 GLN A 18 -5.197 -12.330 5.638 1.00 0.54 H new ATOM 0 HG2 GLN A 18 -5.691 -12.163 8.099 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -6.287 -13.811 8.087 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -4.636 -14.842 9.227 1.00 0.56 H new ATOM 0 HE22 GLN A 18 -2.942 -14.825 8.726 1.00 0.56 H new ATOM 257 N ASP A 19 -6.987 -10.102 5.454 1.00 0.36 N ATOM 258 CA ASP A 19 -7.017 -8.639 5.775 1.00 0.35 C ATOM 259 C ASP A 19 -7.925 -7.898 4.786 1.00 0.33 C ATOM 260 O ASP A 19 -7.941 -8.210 3.618 1.00 0.38 O ATOM 261 CB ASP A 19 -5.571 -8.185 5.610 1.00 0.44 C ATOM 262 CG ASP A 19 -4.670 -8.987 6.550 1.00 0.54 C ATOM 263 OD1 ASP A 19 -5.062 -9.188 7.689 1.00 0.61 O ATOM 264 OD2 ASP A 19 -3.602 -9.388 6.114 1.00 0.72 O ATOM 0 H ASP A 19 -6.633 -10.334 4.526 1.00 0.36 H new ATOM 0 HA ASP A 19 -7.405 -8.437 6.773 1.00 0.35 H new ATOM 0 HB2 ASP A 19 -5.251 -8.324 4.577 1.00 0.44 H new ATOM 0 HB3 ASP A 19 -5.486 -7.121 5.829 1.00 0.44 H new ATOM 269 N ILE A 20 -8.690 -6.933 5.242 1.00 0.29 N ATOM 270 CA ILE A 20 -9.610 -6.183 4.315 1.00 0.29 C ATOM 271 C ILE A 20 -8.935 -5.928 2.966 1.00 0.30 C ATOM 272 O ILE A 20 -7.750 -6.130 2.822 1.00 0.33 O ATOM 273 CB ILE A 20 -9.880 -4.860 5.032 1.00 0.32 C ATOM 274 CG1 ILE A 20 -10.894 -4.033 4.236 1.00 0.39 C ATOM 275 CG2 ILE A 20 -8.573 -4.075 5.153 1.00 0.37 C ATOM 276 CD1 ILE A 20 -12.167 -4.851 4.009 1.00 0.60 C ATOM 0 H ILE A 20 -8.720 -6.630 6.215 1.00 0.29 H new ATOM 0 HA ILE A 20 -10.523 -6.740 4.104 1.00 0.29 H new ATOM 0 HB ILE A 20 -10.283 -5.065 6.024 1.00 0.32 H new ATOM 0 HG12 ILE A 20 -11.132 -3.116 4.775 1.00 0.39 H new ATOM 0 HG13 ILE A 20 -10.465 -3.738 3.278 1.00 0.39 H new ATOM 0 HG21 ILE A 20 -8.762 -3.131 5.664 1.00 0.37 H new ATOM 0 HG22 ILE A 20 -7.850 -4.658 5.723 1.00 0.37 H new ATOM 0 HG23 ILE A 20 -8.175 -3.876 4.158 1.00 0.37 H new ATOM 0 HD11 ILE A 20 -12.885 -4.258 3.442 1.00 0.60 H new ATOM 0 HD12 ILE A 20 -11.924 -5.756 3.452 1.00 0.60 H new ATOM 0 HD13 ILE A 20 -12.601 -5.123 4.971 1.00 0.60 H new ATOM 288 N CYS A 21 -9.689 -5.474 1.981 1.00 0.31 N ATOM 289 CA CYS A 21 -9.099 -5.193 0.628 1.00 0.33 C ATOM 290 C CYS A 21 -7.624 -4.833 0.772 1.00 0.34 C ATOM 291 O CYS A 21 -7.272 -3.733 1.153 1.00 0.42 O ATOM 292 CB CYS A 21 -9.890 -4.003 0.077 1.00 0.33 C ATOM 293 SG CYS A 21 -11.558 -4.541 -0.390 1.00 0.51 S ATOM 0 H CYS A 21 -10.689 -5.287 2.060 1.00 0.31 H new ATOM 0 HA CYS A 21 -9.160 -6.056 -0.035 1.00 0.33 H new ATOM 0 HB2 CYS A 21 -9.949 -3.214 0.827 1.00 0.33 H new ATOM 0 HB3 CYS A 21 -9.377 -3.583 -0.788 1.00 0.33 H new ATOM 298 N PHE A 22 -6.758 -5.767 0.506 1.00 0.34 N ATOM 299 CA PHE A 22 -5.324 -5.495 0.662 1.00 0.33 C ATOM 300 C PHE A 22 -4.488 -6.443 -0.190 1.00 0.34 C ATOM 301 O PHE A 22 -4.992 -7.319 -0.865 1.00 0.36 O ATOM 302 CB PHE A 22 -5.043 -5.727 2.151 1.00 0.36 C ATOM 303 CG PHE A 22 -4.918 -7.215 2.425 1.00 0.36 C ATOM 304 CD1 PHE A 22 -5.969 -8.090 2.118 1.00 0.36 C ATOM 305 CD2 PHE A 22 -3.733 -7.715 2.968 1.00 0.40 C ATOM 306 CE1 PHE A 22 -5.828 -9.460 2.358 1.00 0.38 C ATOM 307 CE2 PHE A 22 -3.590 -9.084 3.212 1.00 0.44 C ATOM 308 CZ PHE A 22 -4.639 -9.960 2.905 1.00 0.43 C ATOM 0 H PHE A 22 -6.992 -6.707 0.187 1.00 0.34 H new ATOM 0 HA PHE A 22 -5.066 -4.486 0.340 1.00 0.33 H new ATOM 0 HB2 PHE A 22 -4.125 -5.216 2.441 1.00 0.36 H new ATOM 0 HB3 PHE A 22 -5.847 -5.303 2.753 1.00 0.36 H new ATOM 0 HD1 PHE A 22 -6.886 -7.706 1.697 1.00 0.36 H new ATOM 0 HD2 PHE A 22 -2.922 -7.040 3.201 1.00 0.40 H new ATOM 0 HE1 PHE A 22 -6.638 -10.135 2.121 1.00 0.38 H new ATOM 0 HE2 PHE A 22 -2.673 -9.465 3.636 1.00 0.44 H new ATOM 0 HZ PHE A 22 -4.531 -11.019 3.090 1.00 0.43 H new ATOM 318 N LEU A 23 -3.204 -6.272 -0.135 1.00 0.33 N ATOM 319 CA LEU A 23 -2.291 -7.145 -0.906 1.00 0.32 C ATOM 320 C LEU A 23 -1.125 -7.554 -0.014 1.00 0.27 C ATOM 321 O LEU A 23 -0.745 -6.835 0.890 1.00 0.27 O ATOM 322 CB LEU A 23 -1.804 -6.284 -2.061 1.00 0.35 C ATOM 323 CG LEU A 23 -0.996 -7.141 -3.036 1.00 0.33 C ATOM 324 CD1 LEU A 23 -1.306 -6.718 -4.472 1.00 0.45 C ATOM 325 CD2 LEU A 23 0.497 -6.950 -2.762 1.00 0.46 C ATOM 0 H LEU A 23 -2.741 -5.553 0.421 1.00 0.33 H new ATOM 0 HA LEU A 23 -2.772 -8.056 -1.262 1.00 0.32 H new ATOM 0 HB2 LEU A 23 -2.653 -5.833 -2.575 1.00 0.35 H new ATOM 0 HB3 LEU A 23 -1.189 -5.467 -1.684 1.00 0.35 H new ATOM 0 HG LEU A 23 -1.263 -8.189 -2.902 1.00 0.33 H new ATOM 0 HD11 LEU A 23 -0.729 -7.331 -5.164 1.00 0.45 H new ATOM 0 HD12 LEU A 23 -2.370 -6.852 -4.669 1.00 0.45 H new ATOM 0 HD13 LEU A 23 -1.041 -5.669 -4.608 1.00 0.45 H new ATOM 0 HD21 LEU A 23 1.075 -7.560 -3.456 1.00 0.46 H new ATOM 0 HD22 LEU A 23 0.760 -5.901 -2.895 1.00 0.46 H new ATOM 0 HD23 LEU A 23 0.721 -7.253 -1.739 1.00 0.46 H new ATOM 337 N LYS A 24 -0.553 -8.697 -0.245 1.00 0.26 N ATOM 338 CA LYS A 24 0.583 -9.128 0.614 1.00 0.22 C ATOM 339 C LYS A 24 1.850 -9.325 -0.221 1.00 0.22 C ATOM 340 O LYS A 24 1.882 -10.120 -1.142 1.00 0.32 O ATOM 341 CB LYS A 24 0.137 -10.456 1.226 1.00 0.26 C ATOM 342 CG LYS A 24 1.230 -10.977 2.159 1.00 0.29 C ATOM 343 CD LYS A 24 0.832 -12.355 2.689 1.00 0.35 C ATOM 344 CE LYS A 24 0.268 -12.213 4.102 1.00 0.38 C ATOM 345 NZ LYS A 24 0.182 -13.606 4.621 1.00 0.47 N ATOM 0 H LYS A 24 -0.818 -9.348 -0.984 1.00 0.26 H new ATOM 0 HA LYS A 24 0.822 -8.384 1.374 1.00 0.22 H new ATOM 0 HB2 LYS A 24 -0.793 -10.321 1.778 1.00 0.26 H new ATOM 0 HB3 LYS A 24 -0.062 -11.183 0.439 1.00 0.26 H new ATOM 0 HG2 LYS A 24 2.179 -11.040 1.626 1.00 0.29 H new ATOM 0 HG3 LYS A 24 1.376 -10.285 2.988 1.00 0.29 H new ATOM 0 HD2 LYS A 24 0.089 -12.808 2.033 1.00 0.35 H new ATOM 0 HD3 LYS A 24 1.697 -13.018 2.696 1.00 0.35 H new ATOM 0 HE2 LYS A 24 0.916 -11.598 4.726 1.00 0.38 H new ATOM 0 HE3 LYS A 24 -0.711 -11.734 4.090 1.00 0.38 H new ATOM 0 HZ1 LYS A 24 -0.197 -13.593 5.589 1.00 0.47 H new ATOM 0 HZ2 LYS A 24 -0.447 -14.166 4.010 1.00 0.47 H new ATOM 0 HZ3 LYS A 24 1.130 -14.034 4.626 1.00 0.47 H new ATOM 359 N ALA A 25 2.894 -8.610 0.107 1.00 0.17 N ATOM 360 CA ALA A 25 4.178 -8.751 -0.645 1.00 0.18 C ATOM 361 C ALA A 25 5.347 -8.884 0.332 1.00 0.19 C ATOM 362 O ALA A 25 5.614 -8.002 1.121 1.00 0.28 O ATOM 363 CB ALA A 25 4.315 -7.469 -1.464 1.00 0.24 C ATOM 0 H ALA A 25 2.913 -7.931 0.867 1.00 0.17 H new ATOM 0 HA ALA A 25 4.183 -9.637 -1.279 1.00 0.18 H new ATOM 0 HB1 ALA A 25 5.238 -7.504 -2.043 1.00 0.24 H new ATOM 0 HB2 ALA A 25 3.466 -7.377 -2.141 1.00 0.24 H new ATOM 0 HB3 ALA A 25 4.339 -6.610 -0.794 1.00 0.24 H new ATOM 369 N GLN A 26 6.045 -9.982 0.283 1.00 0.17 N ATOM 370 CA GLN A 26 7.197 -10.180 1.209 1.00 0.21 C ATOM 371 C GLN A 26 8.232 -11.107 0.558 1.00 0.19 C ATOM 372 O GLN A 26 8.548 -10.969 -0.606 1.00 0.25 O ATOM 373 CB GLN A 26 6.588 -10.819 2.457 1.00 0.25 C ATOM 374 CG GLN A 26 5.878 -12.120 2.072 1.00 0.32 C ATOM 375 CD GLN A 26 4.998 -12.587 3.233 1.00 0.39 C ATOM 376 OE1 GLN A 26 4.231 -11.818 3.779 1.00 0.47 O ATOM 377 NE2 GLN A 26 5.077 -13.824 3.639 1.00 0.55 N ATOM 0 H GLN A 26 5.868 -10.754 -0.360 1.00 0.17 H new ATOM 0 HA GLN A 26 7.715 -9.251 1.448 1.00 0.21 H new ATOM 0 HB2 GLN A 26 7.367 -11.022 3.192 1.00 0.25 H new ATOM 0 HB3 GLN A 26 5.882 -10.131 2.923 1.00 0.25 H new ATOM 0 HG2 GLN A 26 5.270 -11.964 1.181 1.00 0.32 H new ATOM 0 HG3 GLN A 26 6.612 -12.888 1.827 1.00 0.32 H new ATOM 0 HE21 GLN A 26 5.720 -14.471 3.182 1.00 0.55 H new ATOM 0 HE22 GLN A 26 4.496 -14.145 4.413 1.00 0.55 H new ATOM 386 N CYS A 27 8.760 -12.050 1.294 1.00 0.27 N ATOM 387 CA CYS A 27 9.767 -12.985 0.704 1.00 0.32 C ATOM 388 C CYS A 27 10.103 -14.102 1.699 1.00 0.32 C ATOM 389 O CYS A 27 10.389 -13.856 2.856 1.00 0.40 O ATOM 390 CB CYS A 27 10.997 -12.122 0.404 1.00 0.38 C ATOM 391 SG CYS A 27 11.904 -11.767 1.932 1.00 0.35 S ATOM 0 H CYS A 27 8.539 -12.214 2.276 1.00 0.27 H new ATOM 0 HA CYS A 27 9.397 -13.474 -0.197 1.00 0.32 H new ATOM 0 HB2 CYS A 27 11.648 -12.638 -0.302 1.00 0.38 H new ATOM 0 HB3 CYS A 27 10.689 -11.190 -0.069 1.00 0.38 H new ATOM 396 N ASP A 28 10.070 -15.324 1.250 1.00 0.30 N ATOM 397 CA ASP A 28 10.387 -16.468 2.149 1.00 0.30 C ATOM 398 C ASP A 28 11.316 -17.437 1.416 1.00 0.25 C ATOM 399 O ASP A 28 11.489 -17.352 0.217 1.00 0.26 O ATOM 400 CB ASP A 28 9.035 -17.122 2.444 1.00 0.37 C ATOM 401 CG ASP A 28 9.124 -17.925 3.745 1.00 0.47 C ATOM 402 OD1 ASP A 28 10.110 -17.771 4.448 1.00 0.58 O ATOM 403 OD2 ASP A 28 8.205 -18.679 4.016 1.00 0.54 O ATOM 0 H ASP A 28 9.835 -15.582 0.291 1.00 0.30 H new ATOM 0 HA ASP A 28 10.891 -16.166 3.067 1.00 0.30 H new ATOM 0 HB2 ASP A 28 8.261 -16.359 2.528 1.00 0.37 H new ATOM 0 HB3 ASP A 28 8.749 -17.776 1.620 1.00 0.37 H new ATOM 408 N LYS A 29 11.921 -18.353 2.121 1.00 0.28 N ATOM 409 CA LYS A 29 12.844 -19.315 1.451 1.00 0.25 C ATOM 410 C LYS A 29 13.754 -18.572 0.474 1.00 0.23 C ATOM 411 O LYS A 29 13.394 -18.322 -0.658 1.00 0.28 O ATOM 412 CB LYS A 29 11.935 -20.284 0.700 1.00 0.31 C ATOM 413 CG LYS A 29 11.480 -21.391 1.652 1.00 0.37 C ATOM 414 CD LYS A 29 11.267 -22.684 0.864 1.00 0.43 C ATOM 415 CE LYS A 29 10.399 -22.400 -0.365 1.00 0.51 C ATOM 416 NZ LYS A 29 9.831 -23.724 -0.745 1.00 0.52 N ATOM 0 H LYS A 29 11.818 -18.478 3.128 1.00 0.28 H new ATOM 0 HA LYS A 29 13.489 -19.832 2.162 1.00 0.25 H new ATOM 0 HB2 LYS A 29 11.070 -19.754 0.300 1.00 0.31 H new ATOM 0 HB3 LYS A 29 12.466 -20.714 -0.149 1.00 0.31 H new ATOM 0 HG2 LYS A 29 12.227 -21.546 2.431 1.00 0.37 H new ATOM 0 HG3 LYS A 29 10.556 -21.100 2.151 1.00 0.37 H new ATOM 0 HD2 LYS A 29 12.228 -23.096 0.556 1.00 0.43 H new ATOM 0 HD3 LYS A 29 10.787 -23.432 1.496 1.00 0.43 H new ATOM 0 HE2 LYS A 29 9.611 -21.683 -0.135 1.00 0.51 H new ATOM 0 HE3 LYS A 29 10.990 -21.975 -1.177 1.00 0.51 H new ATOM 0 HZ1 LYS A 29 9.223 -23.614 -1.581 1.00 0.52 H new ATOM 0 HZ2 LYS A 29 10.605 -24.384 -0.964 1.00 0.52 H new ATOM 0 HZ3 LYS A 29 9.269 -24.100 0.045 1.00 0.52 H new ATOM 430 N PHE A 30 14.932 -18.211 0.911 1.00 0.26 N ATOM 431 CA PHE A 30 15.893 -17.472 0.034 1.00 0.25 C ATOM 432 C PHE A 30 15.514 -15.984 -0.056 1.00 0.23 C ATOM 433 O PHE A 30 16.370 -15.128 -0.146 1.00 0.33 O ATOM 434 CB PHE A 30 15.830 -18.137 -1.348 1.00 0.26 C ATOM 435 CG PHE A 30 15.696 -19.637 -1.201 1.00 0.29 C ATOM 436 CD1 PHE A 30 16.585 -20.347 -0.385 1.00 0.47 C ATOM 437 CD2 PHE A 30 14.679 -20.318 -1.881 1.00 0.38 C ATOM 438 CE1 PHE A 30 16.457 -21.736 -0.248 1.00 0.52 C ATOM 439 CE2 PHE A 30 14.550 -21.707 -1.744 1.00 0.42 C ATOM 440 CZ PHE A 30 15.439 -22.415 -0.927 1.00 0.41 C ATOM 0 H PHE A 30 15.276 -18.399 1.853 1.00 0.26 H new ATOM 0 HA PHE A 30 16.904 -17.516 0.439 1.00 0.25 H new ATOM 0 HB2 PHE A 30 14.984 -17.743 -1.911 1.00 0.26 H new ATOM 0 HB3 PHE A 30 16.730 -17.899 -1.915 1.00 0.26 H new ATOM 0 HD1 PHE A 30 17.371 -19.824 0.140 1.00 0.47 H new ATOM 0 HD2 PHE A 30 13.993 -19.772 -2.512 1.00 0.38 H new ATOM 0 HE1 PHE A 30 17.144 -22.282 0.381 1.00 0.52 H new ATOM 0 HE2 PHE A 30 13.765 -22.231 -2.269 1.00 0.42 H new ATOM 0 HZ PHE A 30 15.339 -23.485 -0.821 1.00 0.41 H new ATOM 450 N CYS A 31 14.246 -15.662 -0.017 1.00 0.22 N ATOM 451 CA CYS A 31 13.843 -14.229 -0.085 1.00 0.24 C ATOM 452 C CYS A 31 14.652 -13.497 -1.165 1.00 0.33 C ATOM 453 O CYS A 31 14.879 -12.306 -1.084 1.00 0.45 O ATOM 454 CB CYS A 31 14.161 -13.687 1.314 1.00 0.27 C ATOM 455 SG CYS A 31 13.842 -11.905 1.388 1.00 0.25 S ATOM 0 H CYS A 31 13.477 -16.328 0.059 1.00 0.22 H new ATOM 0 HA CYS A 31 12.795 -14.092 -0.350 1.00 0.24 H new ATOM 0 HB2 CYS A 31 13.554 -14.203 2.058 1.00 0.27 H new ATOM 0 HB3 CYS A 31 15.204 -13.887 1.560 1.00 0.27 H new ATOM 460 N SER A 32 15.089 -14.194 -2.182 1.00 0.37 N ATOM 461 CA SER A 32 15.879 -13.508 -3.250 1.00 0.48 C ATOM 462 C SER A 32 15.573 -14.070 -4.650 1.00 0.49 C ATOM 463 O SER A 32 15.972 -13.497 -5.645 1.00 0.61 O ATOM 464 CB SER A 32 17.339 -13.761 -2.881 1.00 0.51 C ATOM 465 OG SER A 32 17.586 -15.161 -2.878 1.00 0.62 O ATOM 0 H SER A 32 14.937 -15.193 -2.319 1.00 0.37 H new ATOM 0 HA SER A 32 15.634 -12.447 -3.300 1.00 0.48 H new ATOM 0 HB2 SER A 32 17.998 -13.265 -3.594 1.00 0.51 H new ATOM 0 HB3 SER A 32 17.557 -13.339 -1.900 1.00 0.51 H new ATOM 0 HG SER A 32 17.266 -15.548 -2.037 1.00 0.62 H new ATOM 471 N ILE A 33 14.873 -15.174 -4.753 1.00 0.44 N ATOM 472 CA ILE A 33 14.564 -15.731 -6.105 1.00 0.47 C ATOM 473 C ILE A 33 13.053 -15.926 -6.256 1.00 0.45 C ATOM 474 O ILE A 33 12.387 -15.181 -6.945 1.00 0.49 O ATOM 475 CB ILE A 33 15.293 -17.073 -6.157 1.00 0.47 C ATOM 476 CG1 ILE A 33 16.798 -16.829 -6.272 1.00 0.49 C ATOM 477 CG2 ILE A 33 14.815 -17.872 -7.370 1.00 0.52 C ATOM 478 CD1 ILE A 33 17.547 -18.131 -5.993 1.00 0.51 C ATOM 0 H ILE A 33 14.506 -15.709 -3.966 1.00 0.44 H new ATOM 0 HA ILE A 33 14.881 -15.070 -6.912 1.00 0.47 H new ATOM 0 HB ILE A 33 15.081 -17.635 -5.247 1.00 0.47 H new ATOM 0 HG12 ILE A 33 17.043 -16.462 -7.269 1.00 0.49 H new ATOM 0 HG13 ILE A 33 17.108 -16.060 -5.565 1.00 0.49 H new ATOM 0 HG21 ILE A 33 15.337 -18.828 -7.404 1.00 0.52 H new ATOM 0 HG22 ILE A 33 13.742 -18.047 -7.291 1.00 0.52 H new ATOM 0 HG23 ILE A 33 15.025 -17.311 -8.281 1.00 0.52 H new ATOM 0 HD11 ILE A 33 18.620 -17.958 -6.075 1.00 0.51 H new ATOM 0 HD12 ILE A 33 17.311 -18.478 -4.987 1.00 0.51 H new ATOM 0 HD13 ILE A 33 17.245 -18.887 -6.718 1.00 0.51 H new ATOM 490 N ARG A 34 12.507 -16.910 -5.595 1.00 0.43 N ATOM 491 CA ARG A 34 11.049 -17.150 -5.667 1.00 0.40 C ATOM 492 C ARG A 34 10.458 -17.020 -4.266 1.00 0.42 C ATOM 493 O ARG A 34 9.411 -17.553 -3.958 1.00 0.45 O ATOM 494 CB ARG A 34 10.870 -18.573 -6.211 1.00 0.42 C ATOM 495 CG ARG A 34 11.280 -19.598 -5.147 1.00 0.47 C ATOM 496 CD ARG A 34 11.299 -21.004 -5.762 1.00 0.47 C ATOM 497 NE ARG A 34 12.575 -21.076 -6.528 1.00 0.52 N ATOM 498 CZ ARG A 34 12.654 -21.808 -7.607 1.00 0.57 C ATOM 499 NH1 ARG A 34 12.350 -23.077 -7.561 1.00 1.48 N ATOM 500 NH2 ARG A 34 13.042 -21.272 -8.732 1.00 0.87 N ATOM 0 H ARG A 34 13.021 -17.562 -5.003 1.00 0.43 H new ATOM 0 HA ARG A 34 10.541 -16.433 -6.312 1.00 0.40 H new ATOM 0 HB2 ARG A 34 9.831 -18.732 -6.500 1.00 0.42 H new ATOM 0 HB3 ARG A 34 11.474 -18.707 -7.108 1.00 0.42 H new ATOM 0 HG2 ARG A 34 12.265 -19.351 -4.751 1.00 0.47 H new ATOM 0 HG3 ARG A 34 10.582 -19.566 -4.310 1.00 0.47 H new ATOM 0 HD2 ARG A 34 11.259 -21.772 -4.990 1.00 0.47 H new ATOM 0 HD3 ARG A 34 10.439 -21.161 -6.413 1.00 0.47 H new ATOM 0 HE ARG A 34 13.390 -20.552 -6.209 1.00 0.52 H new ATOM 0 HH11 ARG A 34 12.050 -23.498 -6.682 1.00 1.48 H new ATOM 0 HH12 ARG A 34 12.412 -23.647 -8.404 1.00 1.48 H new ATOM 0 HH21 ARG A 34 13.284 -20.282 -8.769 1.00 0.87 H new ATOM 0 HH22 ARG A 34 13.104 -21.843 -9.575 1.00 0.87 H new ATOM 514 N GLY A 35 11.146 -16.311 -3.416 1.00 0.43 N ATOM 515 CA GLY A 35 10.675 -16.127 -2.021 1.00 0.47 C ATOM 516 C GLY A 35 9.514 -15.125 -1.948 1.00 0.41 C ATOM 517 O GLY A 35 8.607 -15.312 -1.164 1.00 0.45 O ATOM 0 H GLY A 35 12.027 -15.846 -3.635 1.00 0.43 H new ATOM 0 HA2 GLY A 35 10.355 -17.086 -1.614 1.00 0.47 H new ATOM 0 HA3 GLY A 35 11.500 -15.776 -1.400 1.00 0.47 H new ATOM 521 N PRO A 36 9.579 -14.074 -2.730 1.00 0.39 N ATOM 522 CA PRO A 36 8.512 -13.045 -2.679 1.00 0.41 C ATOM 523 C PRO A 36 7.210 -13.546 -3.305 1.00 0.36 C ATOM 524 O PRO A 36 7.209 -14.326 -4.237 1.00 0.45 O ATOM 525 CB PRO A 36 9.087 -11.880 -3.473 1.00 0.46 C ATOM 526 CG PRO A 36 10.091 -12.495 -4.393 1.00 0.46 C ATOM 527 CD PRO A 36 10.614 -13.740 -3.720 1.00 0.40 C ATOM 0 HA PRO A 36 8.252 -12.773 -1.656 1.00 0.41 H new ATOM 0 HB2 PRO A 36 8.308 -11.360 -4.030 1.00 0.46 H new ATOM 0 HB3 PRO A 36 9.552 -11.146 -2.815 1.00 0.46 H new ATOM 0 HG2 PRO A 36 9.634 -12.740 -5.352 1.00 0.46 H new ATOM 0 HG3 PRO A 36 10.904 -11.798 -4.596 1.00 0.46 H new ATOM 0 HD2 PRO A 36 10.757 -14.550 -4.436 1.00 0.40 H new ATOM 0 HD3 PRO A 36 11.578 -13.561 -3.244 1.00 0.40 H new ATOM 535 N VAL A 37 6.104 -13.086 -2.788 1.00 0.28 N ATOM 536 CA VAL A 37 4.779 -13.501 -3.322 1.00 0.30 C ATOM 537 C VAL A 37 3.840 -12.302 -3.310 1.00 0.25 C ATOM 538 O VAL A 37 4.122 -11.284 -2.712 1.00 0.26 O ATOM 539 CB VAL A 37 4.303 -14.587 -2.360 1.00 0.44 C ATOM 540 CG1 VAL A 37 2.819 -14.882 -2.595 1.00 0.56 C ATOM 541 CG2 VAL A 37 5.118 -15.860 -2.591 1.00 0.58 C ATOM 0 H VAL A 37 6.063 -12.431 -2.007 1.00 0.28 H new ATOM 0 HA VAL A 37 4.818 -13.866 -4.348 1.00 0.30 H new ATOM 0 HB VAL A 37 4.440 -14.243 -1.335 1.00 0.44 H new ATOM 0 HG11 VAL A 37 2.488 -15.658 -1.904 1.00 0.56 H new ATOM 0 HG12 VAL A 37 2.237 -13.976 -2.428 1.00 0.56 H new ATOM 0 HG13 VAL A 37 2.674 -15.223 -3.620 1.00 0.56 H new ATOM 0 HG21 VAL A 37 4.781 -16.637 -1.906 1.00 0.58 H new ATOM 0 HG22 VAL A 37 4.982 -16.198 -3.618 1.00 0.58 H new ATOM 0 HG23 VAL A 37 6.174 -15.653 -2.414 1.00 0.58 H new ATOM 551 N ILE A 38 2.742 -12.401 -3.986 1.00 0.28 N ATOM 552 CA ILE A 38 1.812 -11.250 -4.038 1.00 0.34 C ATOM 553 C ILE A 38 0.362 -11.735 -4.099 1.00 0.45 C ATOM 554 O ILE A 38 -0.083 -12.291 -5.083 1.00 0.56 O ATOM 555 CB ILE A 38 2.240 -10.517 -5.316 1.00 0.44 C ATOM 556 CG1 ILE A 38 3.137 -9.334 -4.940 1.00 0.60 C ATOM 557 CG2 ILE A 38 1.023 -9.994 -6.095 1.00 0.52 C ATOM 558 CD1 ILE A 38 4.415 -9.369 -5.781 1.00 0.68 C ATOM 0 H ILE A 38 2.446 -13.227 -4.505 1.00 0.28 H new ATOM 0 HA ILE A 38 1.854 -10.604 -3.161 1.00 0.34 H new ATOM 0 HB ILE A 38 2.778 -11.221 -5.950 1.00 0.44 H new ATOM 0 HG12 ILE A 38 2.607 -8.396 -5.105 1.00 0.60 H new ATOM 0 HG13 ILE A 38 3.386 -9.377 -3.880 1.00 0.60 H new ATOM 0 HG21 ILE A 38 1.361 -9.480 -6.995 1.00 0.52 H new ATOM 0 HG22 ILE A 38 0.383 -10.831 -6.374 1.00 0.52 H new ATOM 0 HG23 ILE A 38 0.461 -9.300 -5.470 1.00 0.52 H new ATOM 0 HD11 ILE A 38 5.051 -8.526 -5.511 1.00 0.68 H new ATOM 0 HD12 ILE A 38 4.948 -10.301 -5.594 1.00 0.68 H new ATOM 0 HD13 ILE A 38 4.157 -9.305 -6.838 1.00 0.68 H new ATOM 570 N GLU A 39 -0.377 -11.516 -3.049 1.00 0.44 N ATOM 571 CA GLU A 39 -1.802 -11.949 -3.035 1.00 0.54 C ATOM 572 C GLU A 39 -2.705 -10.731 -2.864 1.00 0.52 C ATOM 573 O GLU A 39 -2.417 -9.845 -2.091 1.00 0.49 O ATOM 574 CB GLU A 39 -1.938 -12.866 -1.817 1.00 0.61 C ATOM 575 CG GLU A 39 -1.141 -14.151 -2.034 1.00 0.77 C ATOM 576 CD GLU A 39 -1.838 -15.304 -1.304 1.00 0.91 C ATOM 577 OE1 GLU A 39 -2.895 -15.068 -0.740 1.00 1.21 O ATOM 578 OE2 GLU A 39 -1.303 -16.400 -1.321 1.00 0.99 O ATOM 0 H GLU A 39 -0.056 -11.055 -2.198 1.00 0.44 H new ATOM 0 HA GLU A 39 -2.086 -12.453 -3.959 1.00 0.54 H new ATOM 0 HB2 GLU A 39 -1.580 -12.353 -0.924 1.00 0.61 H new ATOM 0 HB3 GLU A 39 -2.988 -13.105 -1.647 1.00 0.61 H new ATOM 0 HG2 GLU A 39 -1.066 -14.371 -3.099 1.00 0.77 H new ATOM 0 HG3 GLU A 39 -0.124 -14.030 -1.661 1.00 0.77 H new ATOM 585 N GLN A 40 -3.795 -10.680 -3.574 1.00 0.55 N ATOM 586 CA GLN A 40 -4.715 -9.515 -3.443 1.00 0.54 C ATOM 587 C GLN A 40 -6.149 -10.005 -3.224 1.00 0.57 C ATOM 588 O GLN A 40 -6.582 -10.966 -3.827 1.00 0.67 O ATOM 589 CB GLN A 40 -4.588 -8.759 -4.765 1.00 0.61 C ATOM 590 CG GLN A 40 -5.337 -7.429 -4.670 1.00 0.69 C ATOM 591 CD GLN A 40 -6.155 -7.212 -5.945 1.00 0.79 C ATOM 592 OE1 GLN A 40 -6.560 -8.162 -6.590 1.00 0.92 O ATOM 593 NE2 GLN A 40 -6.422 -5.996 -6.338 1.00 0.89 N ATOM 0 H GLN A 40 -4.090 -11.394 -4.240 1.00 0.55 H new ATOM 0 HA GLN A 40 -4.467 -8.878 -2.594 1.00 0.54 H new ATOM 0 HB2 GLN A 40 -3.537 -8.581 -4.994 1.00 0.61 H new ATOM 0 HB3 GLN A 40 -4.994 -9.359 -5.579 1.00 0.61 H new ATOM 0 HG2 GLN A 40 -5.993 -7.430 -3.800 1.00 0.69 H new ATOM 0 HG3 GLN A 40 -4.630 -6.610 -4.535 1.00 0.69 H new ATOM 0 HE21 GLN A 40 -6.083 -5.200 -5.798 1.00 0.89 H new ATOM 0 HE22 GLN A 40 -6.970 -5.842 -7.185 1.00 0.89 H new ATOM 602 N GLY A 41 -6.883 -9.360 -2.361 1.00 0.51 N ATOM 603 CA GLY A 41 -8.286 -9.794 -2.095 1.00 0.53 C ATOM 604 C GLY A 41 -8.907 -8.869 -1.047 1.00 0.53 C ATOM 605 O GLY A 41 -8.317 -7.883 -0.651 1.00 0.59 O ATOM 0 H GLY A 41 -6.572 -8.549 -1.826 1.00 0.51 H new ATOM 0 HA2 GLY A 41 -8.869 -9.764 -3.015 1.00 0.53 H new ATOM 0 HA3 GLY A 41 -8.300 -10.825 -1.742 1.00 0.53 H new ATOM 609 N CYS A 42 -10.092 -9.179 -0.591 1.00 0.51 N ATOM 610 CA CYS A 42 -10.751 -8.313 0.439 1.00 0.50 C ATOM 611 C CYS A 42 -11.036 -9.142 1.699 1.00 0.45 C ATOM 612 O CYS A 42 -10.893 -10.348 1.695 1.00 0.55 O ATOM 613 CB CYS A 42 -12.066 -7.821 -0.193 1.00 0.55 C ATOM 614 SG CYS A 42 -11.906 -7.653 -1.997 1.00 0.62 S ATOM 0 H CYS A 42 -10.634 -9.992 -0.885 1.00 0.51 H new ATOM 0 HA CYS A 42 -10.120 -7.473 0.730 1.00 0.50 H new ATOM 0 HB2 CYS A 42 -12.869 -8.521 0.040 1.00 0.55 H new ATOM 0 HB3 CYS A 42 -12.344 -6.861 0.241 1.00 0.55 H new ATOM 619 N VAL A 43 -11.436 -8.514 2.778 1.00 0.39 N ATOM 620 CA VAL A 43 -11.721 -9.296 4.025 1.00 0.33 C ATOM 621 C VAL A 43 -12.490 -8.427 5.052 1.00 0.33 C ATOM 622 O VAL A 43 -13.698 -8.512 5.141 1.00 0.44 O ATOM 623 CB VAL A 43 -10.331 -9.739 4.519 1.00 0.30 C ATOM 624 CG1 VAL A 43 -10.244 -9.719 6.052 1.00 0.32 C ATOM 625 CG2 VAL A 43 -10.049 -11.160 4.030 1.00 0.38 C ATOM 0 H VAL A 43 -11.577 -7.506 2.851 1.00 0.39 H new ATOM 0 HA VAL A 43 -12.368 -10.158 3.860 1.00 0.33 H new ATOM 0 HB VAL A 43 -9.596 -9.040 4.121 1.00 0.30 H new ATOM 0 HG11 VAL A 43 -9.249 -10.037 6.364 1.00 0.32 H new ATOM 0 HG12 VAL A 43 -10.432 -8.708 6.414 1.00 0.32 H new ATOM 0 HG13 VAL A 43 -10.989 -10.397 6.468 1.00 0.32 H new ATOM 0 HG21 VAL A 43 -9.066 -11.476 4.378 1.00 0.38 H new ATOM 0 HG22 VAL A 43 -10.808 -11.837 4.422 1.00 0.38 H new ATOM 0 HG23 VAL A 43 -10.072 -11.181 2.940 1.00 0.38 H new ATOM 635 N ALA A 44 -11.826 -7.599 5.826 1.00 0.34 N ATOM 636 CA ALA A 44 -12.574 -6.760 6.819 1.00 0.37 C ATOM 637 C ALA A 44 -11.617 -5.942 7.694 1.00 0.32 C ATOM 638 O ALA A 44 -11.920 -4.832 8.085 1.00 0.32 O ATOM 639 CB ALA A 44 -13.344 -7.757 7.686 1.00 0.47 C ATOM 0 H ALA A 44 -10.814 -7.469 5.815 1.00 0.34 H new ATOM 0 HA ALA A 44 -13.227 -6.046 6.318 1.00 0.37 H new ATOM 0 HB1 ALA A 44 -13.918 -7.217 8.439 1.00 0.47 H new ATOM 0 HB2 ALA A 44 -14.022 -8.336 7.059 1.00 0.47 H new ATOM 0 HB3 ALA A 44 -12.642 -8.429 8.178 1.00 0.47 H new ATOM 645 N THR A 45 -10.475 -6.481 8.018 1.00 0.38 N ATOM 646 CA THR A 45 -9.515 -5.731 8.884 1.00 0.39 C ATOM 647 C THR A 45 -8.134 -5.662 8.230 1.00 0.37 C ATOM 648 O THR A 45 -7.760 -6.511 7.445 1.00 0.39 O ATOM 649 CB THR A 45 -9.447 -6.531 10.187 1.00 0.47 C ATOM 650 OG1 THR A 45 -10.741 -6.599 10.773 1.00 0.46 O ATOM 651 CG2 THR A 45 -8.483 -5.851 11.161 1.00 0.56 C ATOM 0 H THR A 45 -10.163 -7.406 7.723 1.00 0.38 H new ATOM 0 HA THR A 45 -9.835 -4.702 9.047 1.00 0.39 H new ATOM 0 HB THR A 45 -9.092 -7.539 9.971 1.00 0.47 H new ATOM 0 HG1 THR A 45 -10.696 -7.113 11.606 1.00 0.46 H new ATOM 0 HG21 THR A 45 -8.438 -6.424 12.087 1.00 0.56 H new ATOM 0 HG22 THR A 45 -7.489 -5.802 10.715 1.00 0.56 H new ATOM 0 HG23 THR A 45 -8.834 -4.842 11.375 1.00 0.56 H new ATOM 659 N CYS A 46 -7.372 -4.656 8.553 1.00 0.39 N ATOM 660 CA CYS A 46 -6.011 -4.524 7.962 1.00 0.36 C ATOM 661 C CYS A 46 -4.957 -4.691 9.063 1.00 0.34 C ATOM 662 O CYS A 46 -5.141 -4.220 10.169 1.00 0.41 O ATOM 663 CB CYS A 46 -5.979 -3.109 7.379 1.00 0.41 C ATOM 664 SG CYS A 46 -4.567 -2.936 6.265 1.00 0.50 S ATOM 0 H CYS A 46 -7.634 -3.916 9.204 1.00 0.39 H new ATOM 0 HA CYS A 46 -5.798 -5.276 7.202 1.00 0.36 H new ATOM 0 HB2 CYS A 46 -6.905 -2.907 6.841 1.00 0.41 H new ATOM 0 HB3 CYS A 46 -5.911 -2.376 8.183 1.00 0.41 H new ATOM 669 N PRO A 47 -3.886 -5.364 8.734 1.00 0.30 N ATOM 670 CA PRO A 47 -2.805 -5.589 9.725 1.00 0.31 C ATOM 671 C PRO A 47 -2.095 -4.274 10.043 1.00 0.30 C ATOM 672 O PRO A 47 -2.020 -3.387 9.216 1.00 0.39 O ATOM 673 CB PRO A 47 -1.870 -6.573 9.022 1.00 0.39 C ATOM 674 CG PRO A 47 -2.129 -6.374 7.561 1.00 0.41 C ATOM 675 CD PRO A 47 -3.572 -5.959 7.428 1.00 0.34 C ATOM 0 HA PRO A 47 -3.166 -5.972 10.680 1.00 0.31 H new ATOM 0 HB2 PRO A 47 -0.827 -6.373 9.269 1.00 0.39 H new ATOM 0 HB3 PRO A 47 -2.078 -7.600 9.324 1.00 0.39 H new ATOM 0 HG2 PRO A 47 -1.468 -5.610 7.151 1.00 0.41 H new ATOM 0 HG3 PRO A 47 -1.938 -7.292 7.006 1.00 0.41 H new ATOM 0 HD2 PRO A 47 -3.709 -5.242 6.618 1.00 0.34 H new ATOM 0 HD3 PRO A 47 -4.215 -6.812 7.212 1.00 0.34 H new ATOM 683 N GLN A 48 -1.581 -4.132 11.234 1.00 0.30 N ATOM 684 CA GLN A 48 -0.889 -2.878 11.602 1.00 0.35 C ATOM 685 C GLN A 48 0.415 -2.762 10.821 1.00 0.38 C ATOM 686 O GLN A 48 1.489 -2.719 11.386 1.00 0.50 O ATOM 687 CB GLN A 48 -0.630 -2.979 13.104 1.00 0.39 C ATOM 688 CG GLN A 48 -1.965 -2.949 13.851 1.00 0.43 C ATOM 689 CD GLN A 48 -1.874 -3.836 15.096 1.00 0.57 C ATOM 690 OE1 GLN A 48 -0.969 -3.696 15.890 1.00 0.78 O ATOM 691 NE2 GLN A 48 -2.784 -4.748 15.302 1.00 0.66 N ATOM 0 H GLN A 48 -1.614 -4.839 11.968 1.00 0.30 H new ATOM 0 HA GLN A 48 -1.478 -1.992 11.367 1.00 0.35 H new ATOM 0 HB2 GLN A 48 -0.094 -3.901 13.331 1.00 0.39 H new ATOM 0 HB3 GLN A 48 0.002 -2.154 13.432 1.00 0.39 H new ATOM 0 HG2 GLN A 48 -2.211 -1.926 14.137 1.00 0.43 H new ATOM 0 HG3 GLN A 48 -2.766 -3.299 13.200 1.00 0.43 H new ATOM 0 HE21 GLN A 48 -3.546 -4.867 14.635 1.00 0.66 H new ATOM 0 HE22 GLN A 48 -2.733 -5.341 16.130 1.00 0.66 H new ATOM 700 N PHE A 49 0.288 -2.721 9.520 1.00 0.34 N ATOM 701 CA PHE A 49 1.460 -2.616 8.584 1.00 0.36 C ATOM 702 C PHE A 49 2.784 -2.445 9.334 1.00 0.35 C ATOM 703 O PHE A 49 3.033 -1.424 9.946 1.00 0.62 O ATOM 704 CB PHE A 49 1.163 -1.366 7.759 1.00 0.33 C ATOM 705 CG PHE A 49 0.443 -1.728 6.478 1.00 0.35 C ATOM 706 CD1 PHE A 49 -0.691 -2.552 6.502 1.00 0.46 C ATOM 707 CD2 PHE A 49 0.905 -1.218 5.262 1.00 0.34 C ATOM 708 CE1 PHE A 49 -1.358 -2.860 5.309 1.00 0.51 C ATOM 709 CE2 PHE A 49 0.239 -1.526 4.070 1.00 0.39 C ATOM 710 CZ PHE A 49 -0.893 -2.347 4.095 1.00 0.47 C ATOM 0 H PHE A 49 -0.614 -2.757 9.045 1.00 0.34 H new ATOM 0 HA PHE A 49 1.575 -3.519 7.984 1.00 0.36 H new ATOM 0 HB2 PHE A 49 0.553 -0.676 8.342 1.00 0.33 H new ATOM 0 HB3 PHE A 49 2.094 -0.849 7.525 1.00 0.33 H new ATOM 0 HD1 PHE A 49 -1.050 -2.949 7.440 1.00 0.46 H new ATOM 0 HD2 PHE A 49 1.779 -0.584 5.242 1.00 0.34 H new ATOM 0 HE1 PHE A 49 -2.232 -3.494 5.328 1.00 0.51 H new ATOM 0 HE2 PHE A 49 0.599 -1.130 3.132 1.00 0.39 H new ATOM 0 HZ PHE A 49 -1.408 -2.585 3.176 1.00 0.47 H new ATOM 720 N ARG A 50 3.637 -3.432 9.291 1.00 0.43 N ATOM 721 CA ARG A 50 4.938 -3.312 10.006 1.00 0.48 C ATOM 722 C ARG A 50 6.105 -3.352 9.019 1.00 0.45 C ATOM 723 O ARG A 50 5.976 -3.810 7.901 1.00 0.43 O ATOM 724 CB ARG A 50 5.000 -4.517 10.946 1.00 0.53 C ATOM 725 CG ARG A 50 3.716 -4.595 11.772 1.00 0.63 C ATOM 726 CD ARG A 50 3.475 -6.042 12.196 1.00 0.74 C ATOM 727 NE ARG A 50 4.764 -6.487 12.790 1.00 0.67 N ATOM 728 CZ ARG A 50 4.907 -6.524 14.085 1.00 0.78 C ATOM 729 NH1 ARG A 50 4.315 -5.634 14.835 1.00 0.79 N ATOM 730 NH2 ARG A 50 5.637 -7.455 14.630 1.00 1.08 N ATOM 0 H ARG A 50 3.490 -4.311 8.795 1.00 0.43 H new ATOM 0 HA ARG A 50 5.012 -2.368 10.545 1.00 0.48 H new ATOM 0 HB2 ARG A 50 5.129 -5.433 10.370 1.00 0.53 H new ATOM 0 HB3 ARG A 50 5.863 -4.431 11.606 1.00 0.53 H new ATOM 0 HG2 ARG A 50 3.796 -3.955 12.651 1.00 0.63 H new ATOM 0 HG3 ARG A 50 2.871 -4.230 11.188 1.00 0.63 H new ATOM 0 HD2 ARG A 50 2.662 -6.112 12.919 1.00 0.74 H new ATOM 0 HD3 ARG A 50 3.198 -6.662 11.344 1.00 0.74 H new ATOM 0 HE ARG A 50 5.536 -6.763 12.184 1.00 0.67 H new ATOM 0 HH11 ARG A 50 3.740 -4.908 14.408 1.00 0.79 H new ATOM 0 HH12 ARG A 50 4.428 -5.664 15.848 1.00 0.79 H new ATOM 0 HH21 ARG A 50 6.095 -8.153 14.044 1.00 1.08 H new ATOM 0 HH22 ARG A 50 5.751 -7.486 15.643 1.00 1.08 H new ATOM 744 N SER A 51 7.244 -2.874 9.438 1.00 0.48 N ATOM 745 CA SER A 51 8.440 -2.864 8.547 1.00 0.48 C ATOM 746 C SER A 51 9.065 -4.262 8.442 1.00 0.48 C ATOM 747 O SER A 51 10.266 -4.421 8.564 1.00 0.66 O ATOM 748 CB SER A 51 9.410 -1.896 9.220 1.00 0.63 C ATOM 749 OG SER A 51 8.800 -0.616 9.323 1.00 0.67 O ATOM 0 H SER A 51 7.399 -2.486 10.368 1.00 0.48 H new ATOM 0 HA SER A 51 8.187 -2.567 7.529 1.00 0.48 H new ATOM 0 HB2 SER A 51 9.680 -2.263 10.210 1.00 0.63 H new ATOM 0 HB3 SER A 51 10.332 -1.827 8.643 1.00 0.63 H new ATOM 0 HG SER A 51 9.419 0.008 9.756 1.00 0.67 H new ATOM 755 N ASN A 52 8.275 -5.276 8.214 1.00 0.39 N ATOM 756 CA ASN A 52 8.846 -6.654 8.102 1.00 0.37 C ATOM 757 C ASN A 52 8.555 -7.241 6.715 1.00 0.38 C ATOM 758 O ASN A 52 9.070 -8.280 6.351 1.00 0.69 O ATOM 759 CB ASN A 52 8.143 -7.465 9.188 1.00 0.41 C ATOM 760 CG ASN A 52 8.758 -7.138 10.550 1.00 0.55 C ATOM 761 OD1 ASN A 52 8.084 -6.632 11.427 1.00 0.66 O ATOM 762 ND2 ASN A 52 10.015 -7.405 10.767 1.00 0.69 N ATOM 0 H ASN A 52 7.263 -5.213 8.101 1.00 0.39 H new ATOM 0 HA ASN A 52 9.929 -6.662 8.226 1.00 0.37 H new ATOM 0 HB2 ASN A 52 7.077 -7.237 9.194 1.00 0.41 H new ATOM 0 HB3 ASN A 52 8.239 -8.531 8.980 1.00 0.41 H new ATOM 0 HD21 ASN A 52 10.433 -7.190 11.672 1.00 0.69 H new ATOM 0 HD22 ASN A 52 10.581 -7.829 10.032 1.00 0.69 H new ATOM 769 N TYR A 53 7.736 -6.585 5.941 1.00 0.22 N ATOM 770 CA TYR A 53 7.412 -7.097 4.583 1.00 0.27 C ATOM 771 C TYR A 53 8.192 -6.298 3.538 1.00 0.28 C ATOM 772 O TYR A 53 9.085 -5.544 3.867 1.00 0.37 O ATOM 773 CB TYR A 53 5.905 -6.874 4.432 1.00 0.32 C ATOM 774 CG TYR A 53 5.190 -7.375 5.669 1.00 0.30 C ATOM 775 CD1 TYR A 53 5.127 -6.572 6.818 1.00 0.39 C ATOM 776 CD2 TYR A 53 4.594 -8.643 5.670 1.00 0.35 C ATOM 777 CE1 TYR A 53 4.466 -7.036 7.962 1.00 0.48 C ATOM 778 CE2 TYR A 53 3.933 -9.107 6.815 1.00 0.44 C ATOM 779 CZ TYR A 53 3.871 -8.304 7.961 1.00 0.48 C ATOM 780 OH TYR A 53 3.219 -8.763 9.089 1.00 0.64 O ATOM 0 H TYR A 53 7.275 -5.711 6.194 1.00 0.22 H new ATOM 0 HA TYR A 53 7.678 -8.145 4.447 1.00 0.27 H new ATOM 0 HB2 TYR A 53 5.697 -5.814 4.284 1.00 0.32 H new ATOM 0 HB3 TYR A 53 5.536 -7.397 3.550 1.00 0.32 H new ATOM 0 HD1 TYR A 53 5.589 -5.596 6.820 1.00 0.39 H new ATOM 0 HD2 TYR A 53 4.644 -9.263 4.787 1.00 0.35 H new ATOM 0 HE1 TYR A 53 4.415 -6.416 8.845 1.00 0.48 H new ATOM 0 HE2 TYR A 53 3.471 -10.083 6.814 1.00 0.44 H new ATOM 0 HH TYR A 53 2.862 -9.660 8.919 1.00 0.64 H new ATOM 790 N ARG A 54 7.867 -6.451 2.285 1.00 0.22 N ATOM 791 CA ARG A 54 8.600 -5.688 1.232 1.00 0.24 C ATOM 792 C ARG A 54 7.630 -4.763 0.502 1.00 0.25 C ATOM 793 O ARG A 54 8.027 -3.868 -0.219 1.00 0.34 O ATOM 794 CB ARG A 54 9.134 -6.744 0.263 1.00 0.25 C ATOM 795 CG ARG A 54 9.998 -7.753 1.019 1.00 0.27 C ATOM 796 CD ARG A 54 11.429 -7.697 0.481 1.00 0.31 C ATOM 797 NE ARG A 54 12.259 -8.336 1.539 1.00 0.46 N ATOM 798 CZ ARG A 54 12.803 -7.602 2.471 1.00 0.58 C ATOM 799 NH1 ARG A 54 13.423 -6.501 2.153 1.00 0.70 N ATOM 800 NH2 ARG A 54 12.727 -7.972 3.721 1.00 0.71 N ATOM 0 H ARG A 54 7.130 -7.068 1.944 1.00 0.22 H new ATOM 0 HA ARG A 54 9.399 -5.076 1.650 1.00 0.24 H new ATOM 0 HB2 ARG A 54 8.304 -7.256 -0.225 1.00 0.25 H new ATOM 0 HB3 ARG A 54 9.720 -6.267 -0.522 1.00 0.25 H new ATOM 0 HG2 ARG A 54 9.989 -7.529 2.086 1.00 0.27 H new ATOM 0 HG3 ARG A 54 9.592 -8.758 0.901 1.00 0.27 H new ATOM 0 HD2 ARG A 54 11.517 -8.230 -0.466 1.00 0.31 H new ATOM 0 HD3 ARG A 54 11.743 -6.669 0.299 1.00 0.31 H new ATOM 0 HE ARG A 54 12.402 -9.346 1.535 1.00 0.46 H new ATOM 0 HH11 ARG A 54 13.483 -6.213 1.176 1.00 0.70 H new ATOM 0 HH12 ARG A 54 13.848 -5.927 2.881 1.00 0.70 H new ATOM 0 HH21 ARG A 54 12.243 -8.835 3.969 1.00 0.71 H new ATOM 0 HH22 ARG A 54 13.152 -7.398 4.449 1.00 0.71 H new ATOM 814 N SER A 55 6.361 -4.976 0.685 1.00 0.21 N ATOM 815 CA SER A 55 5.354 -4.116 0.003 1.00 0.26 C ATOM 816 C SER A 55 3.953 -4.551 0.408 1.00 0.25 C ATOM 817 O SER A 55 3.578 -5.697 0.262 1.00 0.31 O ATOM 818 CB SER A 55 5.579 -4.336 -1.495 1.00 0.29 C ATOM 819 OG SER A 55 4.326 -4.311 -2.168 1.00 0.36 O ATOM 0 H SER A 55 5.974 -5.710 1.278 1.00 0.21 H new ATOM 0 HA SER A 55 5.456 -3.064 0.269 1.00 0.26 H new ATOM 0 HB2 SER A 55 6.234 -3.561 -1.893 1.00 0.29 H new ATOM 0 HB3 SER A 55 6.076 -5.291 -1.663 1.00 0.29 H new ATOM 0 HG SER A 55 4.467 -4.450 -3.128 1.00 0.36 H new ATOM 825 N LEU A 56 3.178 -3.651 0.923 1.00 0.25 N ATOM 826 CA LEU A 56 1.800 -4.031 1.341 1.00 0.27 C ATOM 827 C LEU A 56 0.795 -2.968 0.895 1.00 0.28 C ATOM 828 O LEU A 56 0.974 -1.789 1.131 1.00 0.37 O ATOM 829 CB LEU A 56 1.858 -4.118 2.867 1.00 0.29 C ATOM 830 CG LEU A 56 1.423 -5.510 3.329 1.00 0.26 C ATOM 831 CD1 LEU A 56 1.872 -5.726 4.777 1.00 0.34 C ATOM 832 CD2 LEU A 56 -0.104 -5.616 3.254 1.00 0.29 C ATOM 0 H LEU A 56 3.430 -2.674 1.074 1.00 0.25 H new ATOM 0 HA LEU A 56 1.478 -4.971 0.893 1.00 0.27 H new ATOM 0 HB2 LEU A 56 2.871 -3.911 3.213 1.00 0.29 H new ATOM 0 HB3 LEU A 56 1.210 -3.361 3.308 1.00 0.29 H new ATOM 0 HG LEU A 56 1.875 -6.266 2.687 1.00 0.26 H new ATOM 0 HD11 LEU A 56 1.564 -6.717 5.110 1.00 0.34 H new ATOM 0 HD12 LEU A 56 2.957 -5.644 4.837 1.00 0.34 H new ATOM 0 HD13 LEU A 56 1.415 -4.970 5.416 1.00 0.34 H new ATOM 0 HD21 LEU A 56 -0.416 -6.607 3.583 1.00 0.29 H new ATOM 0 HD22 LEU A 56 -0.553 -4.861 3.899 1.00 0.29 H new ATOM 0 HD23 LEU A 56 -0.430 -5.455 2.226 1.00 0.29 H new ATOM 844 N LEU A 57 -0.265 -3.383 0.261 1.00 0.25 N ATOM 845 CA LEU A 57 -1.297 -2.412 -0.198 1.00 0.28 C ATOM 846 C LEU A 57 -2.612 -2.730 0.505 1.00 0.31 C ATOM 847 O LEU A 57 -3.112 -3.836 0.440 1.00 0.42 O ATOM 848 CB LEU A 57 -1.424 -2.644 -1.703 1.00 0.34 C ATOM 849 CG LEU A 57 -2.324 -1.570 -2.313 1.00 0.39 C ATOM 850 CD1 LEU A 57 -1.905 -1.316 -3.761 1.00 0.56 C ATOM 851 CD2 LEU A 57 -3.777 -2.049 -2.282 1.00 0.58 C ATOM 0 H LEU A 57 -0.462 -4.359 0.040 1.00 0.25 H new ATOM 0 HA LEU A 57 -1.038 -1.376 0.023 1.00 0.28 H new ATOM 0 HB2 LEU A 57 -0.439 -2.616 -2.170 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -1.840 -3.633 -1.895 1.00 0.34 H new ATOM 0 HG LEU A 57 -2.230 -0.648 -1.740 1.00 0.39 H new ATOM 0 HD11 LEU A 57 -2.547 -0.550 -4.196 1.00 0.56 H new ATOM 0 HD12 LEU A 57 -0.869 -0.979 -3.786 1.00 0.56 H new ATOM 0 HD13 LEU A 57 -2.000 -2.238 -4.334 1.00 0.56 H new ATOM 0 HD21 LEU A 57 -4.421 -1.285 -2.717 1.00 0.58 H new ATOM 0 HD22 LEU A 57 -3.869 -2.971 -2.857 1.00 0.58 H new ATOM 0 HD23 LEU A 57 -4.077 -2.233 -1.251 1.00 0.58 H new ATOM 863 N CYS A 58 -3.160 -1.785 1.209 1.00 0.28 N ATOM 864 CA CYS A 58 -4.419 -2.065 1.946 1.00 0.29 C ATOM 865 C CYS A 58 -5.376 -0.875 1.892 1.00 0.28 C ATOM 866 O CYS A 58 -4.973 0.278 1.893 1.00 0.30 O ATOM 867 CB CYS A 58 -3.962 -2.319 3.380 1.00 0.32 C ATOM 868 SG CYS A 58 -5.394 -2.564 4.458 1.00 0.40 S ATOM 0 H CYS A 58 -2.795 -0.838 1.306 1.00 0.28 H new ATOM 0 HA CYS A 58 -4.965 -2.905 1.518 1.00 0.29 H new ATOM 0 HB2 CYS A 58 -3.318 -3.198 3.414 1.00 0.32 H new ATOM 0 HB3 CYS A 58 -3.370 -1.476 3.736 1.00 0.32 H new ATOM 873 N CYS A 59 -6.646 -1.162 1.874 1.00 0.30 N ATOM 874 CA CYS A 59 -7.663 -0.081 1.863 1.00 0.32 C ATOM 875 C CYS A 59 -8.559 -0.266 3.085 1.00 0.31 C ATOM 876 O CYS A 59 -9.656 -0.781 2.998 1.00 0.41 O ATOM 877 CB CYS A 59 -8.455 -0.267 0.568 1.00 0.35 C ATOM 878 SG CYS A 59 -7.318 -0.402 -0.829 1.00 0.40 S ATOM 0 H CYS A 59 -7.025 -2.109 1.866 1.00 0.30 H new ATOM 0 HA CYS A 59 -7.231 0.919 1.903 1.00 0.32 H new ATOM 0 HB2 CYS A 59 -9.073 -1.163 0.634 1.00 0.35 H new ATOM 0 HB3 CYS A 59 -9.130 0.576 0.419 1.00 0.35 H new ATOM 883 N THR A 60 -8.076 0.120 4.230 1.00 0.33 N ATOM 884 CA THR A 60 -8.865 -0.058 5.477 1.00 0.38 C ATOM 885 C THR A 60 -10.245 0.610 5.370 1.00 0.39 C ATOM 886 O THR A 60 -11.161 0.261 6.091 1.00 0.46 O ATOM 887 CB THR A 60 -8.008 0.593 6.566 1.00 0.43 C ATOM 888 OG1 THR A 60 -7.873 1.980 6.299 1.00 0.46 O ATOM 889 CG2 THR A 60 -6.622 -0.065 6.582 1.00 0.49 C ATOM 0 H THR A 60 -7.162 0.554 4.356 1.00 0.33 H new ATOM 0 HA THR A 60 -9.071 -1.107 5.688 1.00 0.38 H new ATOM 0 HB THR A 60 -8.487 0.458 7.536 1.00 0.43 H new ATOM 0 HG1 THR A 60 -6.923 2.219 6.283 1.00 0.46 H new ATOM 0 HG21 THR A 60 -6.009 0.396 7.356 1.00 0.49 H new ATOM 0 HG22 THR A 60 -6.727 -1.130 6.789 1.00 0.49 H new ATOM 0 HG23 THR A 60 -6.144 0.071 5.612 1.00 0.49 H new ATOM 897 N THR A 61 -10.420 1.557 4.485 1.00 0.39 N ATOM 898 CA THR A 61 -11.762 2.206 4.370 1.00 0.46 C ATOM 899 C THR A 61 -12.246 2.226 2.910 1.00 0.46 C ATOM 900 O THR A 61 -11.495 1.972 1.987 1.00 0.62 O ATOM 901 CB THR A 61 -11.570 3.632 4.891 1.00 0.51 C ATOM 902 OG1 THR A 61 -10.843 4.391 3.933 1.00 0.63 O ATOM 903 CG2 THR A 61 -10.794 3.600 6.209 1.00 0.55 C ATOM 0 H THR A 61 -9.705 1.905 3.846 1.00 0.39 H new ATOM 0 HA THR A 61 -12.517 1.662 4.937 1.00 0.46 H new ATOM 0 HB THR A 61 -12.545 4.090 5.058 1.00 0.51 H new ATOM 0 HG1 THR A 61 -9.997 4.691 4.327 1.00 0.63 H new ATOM 0 HG21 THR A 61 -10.659 4.617 6.577 1.00 0.55 H new ATOM 0 HG22 THR A 61 -11.350 3.019 6.945 1.00 0.55 H new ATOM 0 HG23 THR A 61 -9.819 3.141 6.046 1.00 0.55 H new ATOM 911 N ASP A 62 -13.502 2.534 2.705 1.00 0.36 N ATOM 912 CA ASP A 62 -14.069 2.582 1.320 1.00 0.34 C ATOM 913 C ASP A 62 -13.950 1.218 0.636 1.00 0.36 C ATOM 914 O ASP A 62 -13.587 0.235 1.248 1.00 0.40 O ATOM 915 CB ASP A 62 -13.245 3.635 0.580 1.00 0.33 C ATOM 916 CG ASP A 62 -14.165 4.766 0.116 1.00 0.41 C ATOM 917 OD1 ASP A 62 -14.852 5.328 0.954 1.00 0.53 O ATOM 918 OD2 ASP A 62 -14.172 5.045 -1.071 1.00 0.54 O ATOM 0 H ASP A 62 -14.167 2.757 3.446 1.00 0.36 H new ATOM 0 HA ASP A 62 -15.130 2.832 1.327 1.00 0.34 H new ATOM 0 HB2 ASP A 62 -12.467 4.029 1.234 1.00 0.33 H new ATOM 0 HB3 ASP A 62 -12.744 3.184 -0.277 1.00 0.33 H new ATOM 923 N ASN A 63 -14.269 1.151 -0.629 1.00 0.37 N ATOM 924 CA ASN A 63 -14.189 -0.147 -1.348 1.00 0.37 C ATOM 925 C ASN A 63 -12.802 -0.324 -1.973 1.00 0.40 C ATOM 926 O ASN A 63 -12.648 -0.946 -3.006 1.00 0.44 O ATOM 927 CB ASN A 63 -15.277 -0.053 -2.421 1.00 0.37 C ATOM 928 CG ASN A 63 -14.756 0.688 -3.657 1.00 0.43 C ATOM 929 OD1 ASN A 63 -14.192 0.010 -4.616 1.00 0.42 O flip ATOM 930 ND2 ASN A 63 -14.863 1.896 -3.747 1.00 0.62 N flip ATOM 0 H ASN A 63 -14.581 1.941 -1.193 1.00 0.37 H new ATOM 0 HA ASN A 63 -14.337 -1.006 -0.693 1.00 0.37 H new ATOM 0 HB2 ASN A 63 -15.605 -1.054 -2.702 1.00 0.37 H new ATOM 0 HB3 ASN A 63 -16.147 0.466 -2.019 1.00 0.37 H new ATOM 0 HD21 ASN A 63 -15.305 2.426 -2.996 1.00 0.62 H new ATOM 0 HD22 ASN A 63 -14.511 2.379 -4.574 1.00 0.62 H new ATOM 937 N CYS A 64 -11.795 0.226 -1.358 1.00 0.39 N ATOM 938 CA CYS A 64 -10.413 0.105 -1.912 1.00 0.42 C ATOM 939 C CYS A 64 -10.393 0.502 -3.394 1.00 0.44 C ATOM 940 O CYS A 64 -9.462 0.198 -4.112 1.00 0.55 O ATOM 941 CB CYS A 64 -10.041 -1.371 -1.747 1.00 0.43 C ATOM 942 SG CYS A 64 -8.286 -1.600 -2.137 1.00 0.46 S ATOM 0 H CYS A 64 -11.867 0.758 -0.491 1.00 0.39 H new ATOM 0 HA CYS A 64 -9.709 0.761 -1.400 1.00 0.42 H new ATOM 0 HB2 CYS A 64 -10.243 -1.696 -0.726 1.00 0.43 H new ATOM 0 HB3 CYS A 64 -10.654 -1.987 -2.405 1.00 0.43 H new ATOM 947 N ASN A 65 -11.409 1.186 -3.860 1.00 0.42 N ATOM 948 CA ASN A 65 -11.431 1.597 -5.291 1.00 0.42 C ATOM 949 C ASN A 65 -11.092 0.409 -6.190 1.00 0.44 C ATOM 950 O ASN A 65 -10.387 0.537 -7.170 1.00 0.44 O ATOM 951 CB ASN A 65 -10.369 2.690 -5.405 1.00 0.44 C ATOM 952 CG ASN A 65 -10.929 3.987 -4.824 1.00 0.46 C ATOM 953 OD1 ASN A 65 -12.032 4.380 -5.147 1.00 0.72 O ATOM 954 ND2 ASN A 65 -10.218 4.672 -3.972 1.00 0.47 N ATOM 0 H ASN A 65 -12.219 1.475 -3.311 1.00 0.42 H new ATOM 0 HA ASN A 65 -12.412 1.953 -5.605 1.00 0.42 H new ATOM 0 HB2 ASN A 65 -9.466 2.396 -4.869 1.00 0.44 H new ATOM 0 HB3 ASN A 65 -10.088 2.835 -6.448 1.00 0.44 H new ATOM 0 HD21 ASN A 65 -10.588 5.537 -3.578 1.00 0.47 H new ATOM 0 HD22 ASN A 65 -9.292 4.343 -3.700 1.00 0.47 H new ATOM 961 N HIS A 66 -11.601 -0.746 -5.870 1.00 0.50 N ATOM 962 CA HIS A 66 -11.327 -1.934 -6.699 1.00 0.56 C ATOM 963 C HIS A 66 -12.369 -3.023 -6.428 1.00 0.62 C ATOM 964 O HIS A 66 -12.630 -3.289 -5.265 1.00 0.65 O ATOM 965 CB HIS A 66 -9.926 -2.392 -6.296 1.00 0.56 C ATOM 966 CG HIS A 66 -8.902 -1.643 -7.105 1.00 0.55 C ATOM 967 ND1 HIS A 66 -9.148 -1.214 -8.401 1.00 0.64 N ATOM 968 CD2 HIS A 66 -7.625 -1.230 -6.810 1.00 0.54 C ATOM 969 CE1 HIS A 66 -8.046 -0.576 -8.833 1.00 0.65 C ATOM 970 NE2 HIS A 66 -7.087 -0.557 -7.904 1.00 0.58 N ATOM 971 OXT HIS A 66 -12.889 -3.568 -7.386 1.00 0.71 O ATOM 0 H HIS A 66 -12.200 -0.912 -5.061 1.00 0.50 H new ATOM 0 HA HIS A 66 -11.381 -1.716 -7.766 1.00 0.56 H new ATOM 0 HB2 HIS A 66 -9.766 -2.215 -5.233 1.00 0.56 H new ATOM 0 HB3 HIS A 66 -9.821 -3.465 -6.460 1.00 0.56 H new ATOM 0 HD2 HIS A 66 -7.116 -1.401 -5.873 1.00 0.54 H new ATOM 0 HE1 HIS A 66 -7.948 -0.133 -9.813 1.00 0.65 H new ATOM 0 HE2 HIS A 66 -6.160 -0.139 -7.979 1.00 0.58 H new TER 979 HIS A 66 ATOM 980 N ARG B 1 15.513 8.720 0.046 1.00 1.30 N ATOM 981 CA ARG B 1 16.500 8.827 -1.068 1.00 1.14 C ATOM 982 C ARG B 1 15.969 8.098 -2.308 1.00 1.02 C ATOM 983 O ARG B 1 15.648 8.705 -3.310 1.00 1.26 O ATOM 984 CB ARG B 1 17.761 8.148 -0.533 1.00 0.99 C ATOM 985 CG ARG B 1 18.884 8.268 -1.563 1.00 0.79 C ATOM 986 CD ARG B 1 20.193 7.786 -0.938 1.00 0.76 C ATOM 987 NE ARG B 1 21.261 8.261 -1.856 1.00 0.91 N ATOM 988 CZ ARG B 1 22.501 7.916 -1.639 1.00 0.93 C ATOM 989 NH1 ARG B 1 23.167 8.456 -0.655 1.00 1.18 N ATOM 990 NH2 ARG B 1 23.072 7.024 -2.400 1.00 0.90 N ATOM 0 H1 ARG B 1 15.488 9.615 0.575 1.00 1.30 H new ATOM 0 H2 ARG B 1 14.570 8.522 -0.344 1.00 1.30 H new ATOM 0 H3 ARG B 1 15.793 7.948 0.685 1.00 1.30 H new ATOM 0 HA ARG B 1 16.690 9.858 -1.367 1.00 1.14 H new ATOM 0 HB2 ARG B 1 18.064 8.610 0.406 1.00 0.99 H new ATOM 0 HB3 ARG B 1 17.559 7.098 -0.321 1.00 0.99 H new ATOM 0 HG2 ARG B 1 18.649 7.674 -2.446 1.00 0.79 H new ATOM 0 HG3 ARG B 1 18.983 9.303 -1.892 1.00 0.79 H new ATOM 0 HD2 ARG B 1 20.325 8.194 0.064 1.00 0.76 H new ATOM 0 HD3 ARG B 1 20.208 6.700 -0.844 1.00 0.76 H new ATOM 0 HE ARG B 1 21.026 8.854 -2.652 1.00 0.91 H new ATOM 0 HH11 ARG B 1 22.719 9.148 -0.055 1.00 1.18 H new ATOM 0 HH12 ARG B 1 24.136 8.186 -0.486 1.00 1.18 H new ATOM 0 HH21 ARG B 1 22.550 6.596 -3.165 1.00 0.90 H new ATOM 0 HH22 ARG B 1 24.041 6.754 -2.231 1.00 0.90 H new ATOM 1006 N THR B 2 15.864 6.800 -2.233 1.00 0.74 N ATOM 1007 CA THR B 2 15.344 6.002 -3.382 1.00 0.64 C ATOM 1008 C THR B 2 14.870 4.637 -2.880 1.00 0.56 C ATOM 1009 O THR B 2 14.228 4.526 -1.856 1.00 0.67 O ATOM 1010 CB THR B 2 16.509 5.810 -4.313 1.00 0.64 C ATOM 1011 OG1 THR B 2 17.302 6.975 -4.283 1.00 0.79 O ATOM 1012 CG2 THR B 2 15.928 5.556 -5.709 1.00 0.62 C ATOM 0 H THR B 2 16.120 6.250 -1.413 1.00 0.74 H new ATOM 0 HA THR B 2 14.509 6.500 -3.874 1.00 0.64 H new ATOM 0 HB THR B 2 17.140 4.969 -4.025 1.00 0.64 H new ATOM 0 HG1 THR B 2 18.221 6.752 -4.540 1.00 0.79 H new ATOM 0 HG21 THR B 2 16.741 5.410 -6.420 1.00 0.62 H new ATOM 0 HG22 THR B 2 15.302 4.664 -5.686 1.00 0.62 H new ATOM 0 HG23 THR B 2 15.327 6.413 -6.015 1.00 0.62 H new ATOM 1020 N CYS B 3 15.216 3.590 -3.579 1.00 0.46 N ATOM 1021 CA CYS B 3 14.827 2.219 -3.135 1.00 0.48 C ATOM 1022 C CYS B 3 15.883 1.217 -3.620 1.00 0.45 C ATOM 1023 O CYS B 3 16.260 0.301 -2.918 1.00 0.64 O ATOM 1024 CB CYS B 3 13.468 1.956 -3.778 1.00 0.50 C ATOM 1025 SG CYS B 3 12.219 1.778 -2.475 1.00 0.54 S ATOM 0 H CYS B 3 15.755 3.625 -4.444 1.00 0.46 H new ATOM 0 HA CYS B 3 14.766 2.121 -2.051 1.00 0.48 H new ATOM 0 HB2 CYS B 3 13.202 2.777 -4.444 1.00 0.50 H new ATOM 0 HB3 CYS B 3 13.508 1.052 -4.386 1.00 0.50 H new ATOM 1030 N LEU B 4 16.374 1.410 -4.817 1.00 0.36 N ATOM 1031 CA LEU B 4 17.429 0.508 -5.379 1.00 0.40 C ATOM 1032 C LEU B 4 18.510 1.392 -6.028 1.00 0.52 C ATOM 1033 O LEU B 4 18.749 2.493 -5.571 1.00 0.67 O ATOM 1034 CB LEU B 4 16.715 -0.397 -6.408 1.00 0.39 C ATOM 1035 CG LEU B 4 15.514 0.326 -7.034 1.00 0.33 C ATOM 1036 CD1 LEU B 4 15.969 1.640 -7.666 1.00 0.37 C ATOM 1037 CD2 LEU B 4 14.900 -0.553 -8.120 1.00 0.46 C ATOM 0 H LEU B 4 16.086 2.165 -5.439 1.00 0.36 H new ATOM 0 HA LEU B 4 17.918 -0.114 -4.629 1.00 0.40 H new ATOM 0 HB2 LEU B 4 17.416 -0.689 -7.190 1.00 0.39 H new ATOM 0 HB3 LEU B 4 16.380 -1.313 -5.922 1.00 0.39 H new ATOM 0 HG LEU B 4 14.779 0.528 -6.255 1.00 0.33 H new ATOM 0 HD11 LEU B 4 15.111 2.147 -8.108 1.00 0.37 H new ATOM 0 HD12 LEU B 4 16.413 2.277 -6.901 1.00 0.37 H new ATOM 0 HD13 LEU B 4 16.708 1.435 -8.441 1.00 0.37 H new ATOM 0 HD21 LEU B 4 14.047 -0.040 -8.565 1.00 0.46 H new ATOM 0 HD22 LEU B 4 15.645 -0.753 -8.890 1.00 0.46 H new ATOM 0 HD23 LEU B 4 14.569 -1.495 -7.682 1.00 0.46 H new ATOM 1049 N ILE B 5 19.158 0.965 -7.087 1.00 0.57 N ATOM 1050 CA ILE B 5 20.177 1.852 -7.704 1.00 0.77 C ATOM 1051 C ILE B 5 20.513 1.421 -9.150 1.00 0.83 C ATOM 1052 O ILE B 5 19.709 0.802 -9.816 1.00 0.83 O ATOM 1053 CB ILE B 5 21.355 1.795 -6.734 1.00 0.85 C ATOM 1054 CG1 ILE B 5 21.824 3.224 -6.510 1.00 0.77 C ATOM 1055 CG2 ILE B 5 22.506 0.939 -7.268 1.00 0.89 C ATOM 1056 CD1 ILE B 5 21.524 3.641 -5.070 1.00 0.94 C ATOM 0 H ILE B 5 19.025 0.060 -7.538 1.00 0.57 H new ATOM 0 HA ILE B 5 19.837 2.879 -7.834 1.00 0.77 H new ATOM 0 HB ILE B 5 21.033 1.330 -5.802 1.00 0.85 H new ATOM 0 HG12 ILE B 5 22.893 3.302 -6.707 1.00 0.77 H new ATOM 0 HG13 ILE B 5 21.322 3.896 -7.206 1.00 0.77 H new ATOM 0 HG21 ILE B 5 23.319 0.930 -6.543 1.00 0.89 H new ATOM 0 HG22 ILE B 5 22.155 -0.080 -7.433 1.00 0.89 H new ATOM 0 HG23 ILE B 5 22.864 1.357 -8.209 1.00 0.89 H new ATOM 0 HD11 ILE B 5 21.860 4.665 -4.910 1.00 0.94 H new ATOM 0 HD12 ILE B 5 20.451 3.579 -4.889 1.00 0.94 H new ATOM 0 HD13 ILE B 5 22.047 2.976 -4.382 1.00 0.94 H new ATOM 1068 N SER B 6 21.673 1.778 -9.662 1.00 0.96 N ATOM 1069 CA SER B 6 22.004 1.412 -11.081 1.00 1.04 C ATOM 1070 C SER B 6 22.289 -0.092 -11.245 1.00 0.96 C ATOM 1071 O SER B 6 21.529 -0.783 -11.893 1.00 0.94 O ATOM 1072 CB SER B 6 23.230 2.250 -11.455 1.00 1.38 C ATOM 1073 OG SER B 6 23.843 1.687 -12.610 1.00 1.51 O ATOM 0 H SER B 6 22.395 2.300 -9.166 1.00 0.96 H new ATOM 0 HA SER B 6 21.158 1.618 -11.737 1.00 1.04 H new ATOM 0 HB2 SER B 6 22.936 3.281 -11.650 1.00 1.38 H new ATOM 0 HB3 SER B 6 23.938 2.272 -10.626 1.00 1.38 H new ATOM 0 HG SER B 6 24.628 2.220 -12.856 1.00 1.51 H new ATOM 1079 N PRO B 7 23.364 -0.563 -10.660 1.00 0.97 N ATOM 1080 CA PRO B 7 23.717 -2.008 -10.763 1.00 0.99 C ATOM 1081 C PRO B 7 22.667 -2.861 -10.050 1.00 1.13 C ATOM 1082 O PRO B 7 22.676 -4.074 -10.121 1.00 1.13 O ATOM 1083 CB PRO B 7 25.067 -2.097 -10.054 1.00 1.19 C ATOM 1084 CG PRO B 7 25.078 -0.924 -9.133 1.00 1.22 C ATOM 1085 CD PRO B 7 24.340 0.170 -9.854 1.00 1.04 C ATOM 0 HA PRO B 7 23.758 -2.371 -11.790 1.00 0.99 H new ATOM 0 HB2 PRO B 7 25.167 -3.034 -9.506 1.00 1.19 H new ATOM 0 HB3 PRO B 7 25.893 -2.053 -10.764 1.00 1.19 H new ATOM 0 HG2 PRO B 7 24.593 -1.165 -8.187 1.00 1.22 H new ATOM 0 HG3 PRO B 7 26.098 -0.620 -8.900 1.00 1.22 H new ATOM 0 HD2 PRO B 7 23.855 0.855 -9.159 1.00 1.04 H new ATOM 0 HD3 PRO B 7 25.009 0.766 -10.475 1.00 1.04 H new ATOM 1093 N SER B 8 21.764 -2.226 -9.363 1.00 1.39 N ATOM 1094 CA SER B 8 20.702 -2.970 -8.640 1.00 1.59 C ATOM 1095 C SER B 8 19.464 -3.083 -9.509 1.00 1.43 C ATOM 1096 O SER B 8 18.858 -4.130 -9.634 1.00 1.65 O ATOM 1097 CB SER B 8 20.375 -2.091 -7.444 1.00 1.76 C ATOM 1098 OG SER B 8 21.312 -2.338 -6.402 1.00 1.97 O ATOM 0 H SER B 8 21.716 -1.211 -9.271 1.00 1.39 H new ATOM 0 HA SER B 8 21.019 -3.977 -8.367 1.00 1.59 H new ATOM 0 HB2 SER B 8 20.405 -1.040 -7.733 1.00 1.76 H new ATOM 0 HB3 SER B 8 19.363 -2.297 -7.094 1.00 1.76 H new ATOM 0 HG SER B 8 21.102 -1.770 -5.632 1.00 1.97 H new ATOM 1104 N SER B 9 19.063 -1.983 -10.070 1.00 1.09 N ATOM 1105 CA SER B 9 17.850 -1.962 -10.892 1.00 0.88 C ATOM 1106 C SER B 9 17.921 -0.811 -11.880 1.00 1.14 C ATOM 1107 O SER B 9 18.835 -0.707 -12.673 1.00 1.50 O ATOM 1108 CB SER B 9 16.738 -1.790 -9.862 1.00 0.84 C ATOM 1109 OG SER B 9 15.493 -1.657 -10.531 1.00 1.22 O ATOM 0 H SER B 9 19.540 -1.085 -9.986 1.00 1.09 H new ATOM 0 HA SER B 9 17.699 -2.853 -11.501 1.00 0.88 H new ATOM 0 HB2 SER B 9 16.713 -2.648 -9.191 1.00 0.84 H new ATOM 0 HB3 SER B 9 16.929 -0.910 -9.247 1.00 0.84 H new ATOM 0 HG SER B 9 14.848 -2.289 -10.151 1.00 1.22 H new ATOM 1115 N THR B 10 16.956 0.023 -11.853 1.00 0.93 N ATOM 1116 CA THR B 10 16.926 1.168 -12.816 1.00 1.07 C ATOM 1117 C THR B 10 16.975 2.524 -12.088 1.00 1.02 C ATOM 1118 O THR B 10 17.882 3.292 -12.331 1.00 0.96 O ATOM 1119 CB THR B 10 15.630 1.008 -13.634 1.00 0.96 C ATOM 1120 OG1 THR B 10 14.833 2.175 -13.501 1.00 0.75 O ATOM 1121 CG2 THR B 10 14.843 -0.221 -13.149 1.00 1.14 C ATOM 0 H THR B 10 16.168 -0.021 -11.207 1.00 0.93 H new ATOM 0 HA THR B 10 17.801 1.155 -13.465 1.00 1.07 H new ATOM 0 HB THR B 10 15.889 0.866 -14.683 1.00 0.96 H new ATOM 0 HG1 THR B 10 14.011 2.071 -14.024 1.00 0.75 H new ATOM 0 HG21 THR B 10 13.930 -0.323 -13.735 1.00 1.14 H new ATOM 0 HG22 THR B 10 15.454 -1.116 -13.271 1.00 1.14 H new ATOM 0 HG23 THR B 10 14.587 -0.097 -12.097 1.00 1.14 H new ATOM 1129 N PRO B 11 16.028 2.802 -11.217 1.00 1.23 N ATOM 1130 CA PRO B 11 16.068 4.098 -10.500 1.00 1.38 C ATOM 1131 C PRO B 11 17.222 4.126 -9.471 1.00 1.15 C ATOM 1132 O PRO B 11 17.978 3.182 -9.351 1.00 1.30 O ATOM 1133 CB PRO B 11 14.673 4.234 -9.890 1.00 1.76 C ATOM 1134 CG PRO B 11 14.123 2.843 -9.809 1.00 1.64 C ATOM 1135 CD PRO B 11 14.872 1.983 -10.810 1.00 1.51 C ATOM 0 HA PRO B 11 16.283 4.950 -11.145 1.00 1.38 H new ATOM 0 HB2 PRO B 11 14.722 4.693 -8.903 1.00 1.76 H new ATOM 0 HB3 PRO B 11 14.038 4.870 -10.506 1.00 1.76 H new ATOM 0 HG2 PRO B 11 14.241 2.445 -8.801 1.00 1.64 H new ATOM 0 HG3 PRO B 11 13.055 2.842 -10.029 1.00 1.64 H new ATOM 0 HD2 PRO B 11 15.192 1.042 -10.362 1.00 1.51 H new ATOM 0 HD3 PRO B 11 14.244 1.732 -11.665 1.00 1.51 H new ATOM 1143 N GLN B 12 17.385 5.218 -8.760 1.00 0.94 N ATOM 1144 CA GLN B 12 18.500 5.341 -7.776 1.00 0.97 C ATOM 1145 C GLN B 12 18.235 6.534 -6.849 1.00 1.03 C ATOM 1146 O GLN B 12 18.851 6.663 -5.813 1.00 1.03 O ATOM 1147 CB GLN B 12 19.767 5.562 -8.609 1.00 0.91 C ATOM 1148 CG GLN B 12 19.708 6.931 -9.289 1.00 1.06 C ATOM 1149 CD GLN B 12 20.307 6.833 -10.694 1.00 1.07 C ATOM 1150 OE1 GLN B 12 21.142 7.633 -11.069 1.00 1.37 O ATOM 1151 NE2 GLN B 12 19.917 5.874 -11.489 1.00 1.00 N ATOM 0 H GLN B 12 16.782 6.038 -8.824 1.00 0.94 H new ATOM 0 HA GLN B 12 18.598 4.457 -7.146 1.00 0.97 H new ATOM 0 HB2 GLN B 12 20.648 5.501 -7.971 1.00 0.91 H new ATOM 0 HB3 GLN B 12 19.862 4.777 -9.359 1.00 0.91 H new ATOM 0 HG2 GLN B 12 18.675 7.276 -9.346 1.00 1.06 H new ATOM 0 HG3 GLN B 12 20.257 7.665 -8.699 1.00 1.06 H new ATOM 0 HE21 GLN B 12 19.216 5.203 -11.173 1.00 1.00 H new ATOM 0 HE22 GLN B 12 20.313 5.795 -12.426 1.00 1.00 H new ATOM 1160 N THR B 13 17.325 7.411 -7.231 1.00 1.16 N ATOM 1161 CA THR B 13 16.989 8.588 -6.407 1.00 1.19 C ATOM 1162 C THR B 13 15.498 8.865 -6.486 1.00 0.95 C ATOM 1163 O THR B 13 14.834 8.480 -7.430 1.00 1.17 O ATOM 1164 CB THR B 13 17.675 9.734 -7.100 1.00 1.52 C ATOM 1165 OG1 THR B 13 18.820 9.261 -7.799 1.00 1.83 O ATOM 1166 CG2 THR B 13 18.078 10.804 -6.085 1.00 1.53 C ATOM 0 H THR B 13 16.799 7.343 -8.102 1.00 1.16 H new ATOM 0 HA THR B 13 17.279 8.446 -5.366 1.00 1.19 H new ATOM 0 HB THR B 13 16.983 10.179 -7.815 1.00 1.52 H new ATOM 0 HG1 THR B 13 19.261 10.011 -8.249 1.00 1.83 H new ATOM 0 HG21 THR B 13 18.573 11.627 -6.601 1.00 1.53 H new ATOM 0 HG22 THR B 13 17.189 11.177 -5.577 1.00 1.53 H new ATOM 0 HG23 THR B 13 18.760 10.372 -5.352 1.00 1.53 H new ATOM 1174 N CYS B 14 14.976 9.583 -5.547 1.00 0.59 N ATOM 1175 CA CYS B 14 13.544 9.939 -5.622 1.00 0.53 C ATOM 1176 C CYS B 14 13.350 11.342 -5.034 1.00 0.32 C ATOM 1177 O CYS B 14 14.267 11.890 -4.455 1.00 0.32 O ATOM 1178 CB CYS B 14 12.818 8.887 -4.783 1.00 0.63 C ATOM 1179 SG CYS B 14 12.543 7.395 -5.768 1.00 0.78 S ATOM 0 H CYS B 14 15.476 9.939 -4.732 1.00 0.59 H new ATOM 0 HA CYS B 14 13.162 9.954 -6.643 1.00 0.53 H new ATOM 0 HB2 CYS B 14 13.407 8.645 -3.898 1.00 0.63 H new ATOM 0 HB3 CYS B 14 11.865 9.283 -4.433 1.00 0.63 H new ATOM 1184 N PRO B 15 12.169 11.885 -5.189 1.00 0.58 N ATOM 1185 CA PRO B 15 11.893 13.240 -4.649 1.00 0.80 C ATOM 1186 C PRO B 15 11.944 13.214 -3.122 1.00 0.92 C ATOM 1187 O PRO B 15 11.820 12.177 -2.501 1.00 1.23 O ATOM 1188 CB PRO B 15 10.481 13.545 -5.145 1.00 1.09 C ATOM 1189 CG PRO B 15 9.872 12.201 -5.377 1.00 1.20 C ATOM 1190 CD PRO B 15 10.994 11.320 -5.862 1.00 0.94 C ATOM 0 HA PRO B 15 12.617 13.990 -4.968 1.00 0.80 H new ATOM 0 HB2 PRO B 15 9.916 14.116 -4.409 1.00 1.09 H new ATOM 0 HB3 PRO B 15 10.500 14.136 -6.060 1.00 1.09 H new ATOM 0 HG2 PRO B 15 9.434 11.807 -4.460 1.00 1.20 H new ATOM 0 HG3 PRO B 15 9.072 12.256 -6.115 1.00 1.20 H new ATOM 0 HD2 PRO B 15 10.835 10.277 -5.589 1.00 0.94 H new ATOM 0 HD3 PRO B 15 11.094 11.354 -6.947 1.00 0.94 H new ATOM 1198 N ASN B 16 12.126 14.348 -2.510 1.00 0.72 N ATOM 1199 CA ASN B 16 12.184 14.387 -1.024 1.00 0.78 C ATOM 1200 C ASN B 16 10.959 13.689 -0.432 1.00 0.81 C ATOM 1201 O ASN B 16 11.030 13.090 0.621 1.00 0.92 O ATOM 1202 CB ASN B 16 12.180 15.874 -0.672 1.00 0.85 C ATOM 1203 CG ASN B 16 12.475 16.052 0.817 1.00 0.87 C ATOM 1204 OD1 ASN B 16 13.241 15.302 1.391 1.00 0.91 O ATOM 1205 ND2 ASN B 16 11.891 17.017 1.470 1.00 0.94 N ATOM 0 H ASN B 16 12.237 15.250 -2.974 1.00 0.72 H new ATOM 0 HA ASN B 16 13.061 13.876 -0.627 1.00 0.78 H new ATOM 0 HB2 ASN B 16 12.927 16.400 -1.266 1.00 0.85 H new ATOM 0 HB3 ASN B 16 11.212 16.313 -0.916 1.00 0.85 H new ATOM 0 HD21 ASN B 16 12.076 17.145 2.465 1.00 0.94 H new ATOM 0 HD22 ASN B 16 11.249 17.645 0.986 1.00 0.94 H new ATOM 1212 N GLY B 17 9.840 13.762 -1.110 1.00 0.78 N ATOM 1213 CA GLY B 17 8.592 13.105 -0.609 1.00 0.80 C ATOM 1214 C GLY B 17 8.516 13.211 0.914 1.00 0.74 C ATOM 1215 O GLY B 17 9.046 14.129 1.508 1.00 0.90 O ATOM 0 H GLY B 17 9.737 14.253 -1.998 1.00 0.78 H new ATOM 0 HA2 GLY B 17 7.718 13.577 -1.058 1.00 0.80 H new ATOM 0 HA3 GLY B 17 8.578 12.057 -0.909 1.00 0.80 H new ATOM 1219 N GLN B 18 7.867 12.273 1.551 1.00 0.59 N ATOM 1220 CA GLN B 18 7.760 12.318 3.037 1.00 0.50 C ATOM 1221 C GLN B 18 7.892 10.907 3.629 1.00 0.41 C ATOM 1222 O GLN B 18 8.458 10.722 4.691 1.00 0.52 O ATOM 1223 CB GLN B 18 6.372 12.892 3.319 1.00 0.54 C ATOM 1224 CG GLN B 18 6.257 13.243 4.804 1.00 0.47 C ATOM 1225 CD GLN B 18 4.861 13.802 5.089 1.00 0.50 C ATOM 1226 OE1 GLN B 18 3.822 13.244 4.528 1.00 0.64 O flip ATOM 1227 NE2 GLN B 18 4.716 14.754 5.830 1.00 0.57 N flip ATOM 0 H GLN B 18 7.407 11.479 1.106 1.00 0.59 H new ATOM 0 HA GLN B 18 8.549 12.921 3.486 1.00 0.50 H new ATOM 0 HB2 GLN B 18 6.204 13.780 2.710 1.00 0.54 H new ATOM 0 HB3 GLN B 18 5.605 12.168 3.045 1.00 0.54 H new ATOM 0 HG2 GLN B 18 6.437 12.357 5.413 1.00 0.47 H new ATOM 0 HG3 GLN B 18 7.016 13.976 5.075 1.00 0.47 H new ATOM 0 HE21 GLN B 18 5.529 15.188 6.267 1.00 0.57 H new ATOM 0 HE22 GLN B 18 3.782 15.119 6.015 1.00 0.57 H new ATOM 1236 N ASP B 19 7.369 9.913 2.958 1.00 0.37 N ATOM 1237 CA ASP B 19 7.456 8.513 3.486 1.00 0.36 C ATOM 1238 C ASP B 19 8.224 7.624 2.499 1.00 0.35 C ATOM 1239 O ASP B 19 8.079 7.762 1.304 1.00 0.40 O ATOM 1240 CB ASP B 19 6.005 8.058 3.588 1.00 0.47 C ATOM 1241 CG ASP B 19 5.231 9.002 4.511 1.00 0.55 C ATOM 1242 OD1 ASP B 19 5.773 9.372 5.538 1.00 0.63 O ATOM 1243 OD2 ASP B 19 4.109 9.342 4.173 1.00 0.72 O ATOM 0 H ASP B 19 6.884 10.008 2.066 1.00 0.37 H new ATOM 0 HA ASP B 19 7.980 8.455 4.440 1.00 0.36 H new ATOM 0 HB2 ASP B 19 5.548 8.045 2.599 1.00 0.47 H new ATOM 0 HB3 ASP B 19 5.960 7.039 3.973 1.00 0.47 H new ATOM 1248 N ILE B 20 9.050 6.726 2.983 1.00 0.32 N ATOM 1249 CA ILE B 20 9.839 5.835 2.061 1.00 0.30 C ATOM 1250 C ILE B 20 8.990 5.387 0.873 1.00 0.33 C ATOM 1251 O ILE B 20 7.797 5.587 0.859 1.00 0.35 O ATOM 1252 CB ILE B 20 10.220 4.631 2.922 1.00 0.36 C ATOM 1253 CG1 ILE B 20 11.124 3.685 2.125 1.00 0.42 C ATOM 1254 CG2 ILE B 20 8.952 3.885 3.334 1.00 0.38 C ATOM 1255 CD1 ILE B 20 12.345 4.449 1.609 1.00 0.62 C ATOM 0 H ILE B 20 9.214 6.569 3.977 1.00 0.32 H new ATOM 0 HA ILE B 20 10.707 6.346 1.645 1.00 0.30 H new ATOM 0 HB ILE B 20 10.752 4.977 3.808 1.00 0.36 H new ATOM 0 HG12 ILE B 20 11.443 2.855 2.755 1.00 0.42 H new ATOM 0 HG13 ILE B 20 10.571 3.257 1.289 1.00 0.42 H new ATOM 0 HG21 ILE B 20 9.219 3.025 3.948 1.00 0.38 H new ATOM 0 HG22 ILE B 20 8.306 4.552 3.905 1.00 0.38 H new ATOM 0 HG23 ILE B 20 8.425 3.544 2.443 1.00 0.38 H new ATOM 0 HD11 ILE B 20 12.985 3.772 1.043 1.00 0.62 H new ATOM 0 HD12 ILE B 20 12.018 5.264 0.964 1.00 0.62 H new ATOM 0 HD13 ILE B 20 12.903 4.855 2.452 1.00 0.62 H new ATOM 1267 N CYS B 21 9.604 4.778 -0.126 1.00 0.33 N ATOM 1268 CA CYS B 21 8.834 4.307 -1.329 1.00 0.35 C ATOM 1269 C CYS B 21 7.398 3.993 -0.929 1.00 0.36 C ATOM 1270 O CYS B 21 7.112 2.967 -0.343 1.00 0.42 O ATOM 1271 CB CYS B 21 9.550 3.038 -1.797 1.00 0.37 C ATOM 1272 SG CYS B 21 11.131 3.479 -2.564 1.00 0.53 S ATOM 0 H CYS B 21 10.606 4.588 -0.157 1.00 0.33 H new ATOM 0 HA CYS B 21 8.795 5.059 -2.117 1.00 0.35 H new ATOM 0 HB2 CYS B 21 9.718 2.371 -0.952 1.00 0.37 H new ATOM 0 HB3 CYS B 21 8.926 2.499 -2.510 1.00 0.37 H new ATOM 1277 N PHE B 22 6.495 4.890 -1.211 1.00 0.35 N ATOM 1278 CA PHE B 22 5.101 4.664 -0.821 1.00 0.36 C ATOM 1279 C PHE B 22 4.144 5.483 -1.682 1.00 0.33 C ATOM 1280 O PHE B 22 4.541 6.237 -2.548 1.00 0.38 O ATOM 1281 CB PHE B 22 5.026 5.119 0.643 1.00 0.35 C ATOM 1282 CG PHE B 22 4.925 6.634 0.704 1.00 0.35 C ATOM 1283 CD1 PHE B 22 5.913 7.441 0.123 1.00 0.37 C ATOM 1284 CD2 PHE B 22 3.825 7.226 1.327 1.00 0.39 C ATOM 1285 CE1 PHE B 22 5.794 8.834 0.170 1.00 0.41 C ATOM 1286 CE2 PHE B 22 3.706 8.619 1.377 1.00 0.44 C ATOM 1287 CZ PHE B 22 4.690 9.424 0.797 1.00 0.44 C ATOM 0 H PHE B 22 6.676 5.769 -1.697 1.00 0.35 H new ATOM 0 HA PHE B 22 4.810 3.622 -0.951 1.00 0.36 H new ATOM 0 HB2 PHE B 22 4.162 4.667 1.130 1.00 0.35 H new ATOM 0 HB3 PHE B 22 5.910 4.782 1.184 1.00 0.35 H new ATOM 0 HD1 PHE B 22 6.766 6.988 -0.361 1.00 0.37 H new ATOM 0 HD2 PHE B 22 3.062 6.605 1.773 1.00 0.39 H new ATOM 0 HE1 PHE B 22 6.555 9.455 -0.278 1.00 0.41 H new ATOM 0 HE2 PHE B 22 2.855 9.072 1.863 1.00 0.44 H new ATOM 0 HZ PHE B 22 4.599 10.500 0.832 1.00 0.44 H new ATOM 1297 N LEU B 23 2.881 5.339 -1.422 1.00 0.32 N ATOM 1298 CA LEU B 23 1.861 6.100 -2.180 1.00 0.32 C ATOM 1299 C LEU B 23 0.824 6.647 -1.207 1.00 0.26 C ATOM 1300 O LEU B 23 0.579 6.073 -0.164 1.00 0.28 O ATOM 1301 CB LEU B 23 1.226 5.085 -3.115 1.00 0.33 C ATOM 1302 CG LEU B 23 0.289 5.799 -4.086 1.00 0.33 C ATOM 1303 CD1 LEU B 23 0.402 5.158 -5.470 1.00 0.46 C ATOM 1304 CD2 LEU B 23 -1.149 5.671 -3.586 1.00 0.47 C ATOM 0 H LEU B 23 2.507 4.717 -0.706 1.00 0.32 H new ATOM 0 HA LEU B 23 2.281 6.943 -2.728 1.00 0.32 H new ATOM 0 HB2 LEU B 23 1.999 4.550 -3.667 1.00 0.33 H new ATOM 0 HB3 LEU B 23 0.673 4.342 -2.540 1.00 0.33 H new ATOM 0 HG LEU B 23 0.564 6.852 -4.149 1.00 0.33 H new ATOM 0 HD11 LEU B 23 -0.267 5.668 -6.163 1.00 0.46 H new ATOM 0 HD12 LEU B 23 1.428 5.243 -5.828 1.00 0.46 H new ATOM 0 HD13 LEU B 23 0.126 4.105 -5.407 1.00 0.46 H new ATOM 0 HD21 LEU B 23 -1.821 6.180 -4.277 1.00 0.47 H new ATOM 0 HD22 LEU B 23 -1.421 4.617 -3.525 1.00 0.47 H new ATOM 0 HD23 LEU B 23 -1.233 6.125 -2.598 1.00 0.47 H new ATOM 1316 N LYS B 24 0.218 7.750 -1.523 1.00 0.24 N ATOM 1317 CA LYS B 24 -0.792 8.316 -0.591 1.00 0.22 C ATOM 1318 C LYS B 24 -2.161 8.403 -1.264 1.00 0.21 C ATOM 1319 O LYS B 24 -2.326 9.049 -2.282 1.00 0.34 O ATOM 1320 CB LYS B 24 -0.274 9.714 -0.249 1.00 0.28 C ATOM 1321 CG LYS B 24 -1.234 10.386 0.735 1.00 0.30 C ATOM 1322 CD LYS B 24 -0.782 11.825 0.990 1.00 0.36 C ATOM 1323 CE LYS B 24 -0.033 11.892 2.322 1.00 0.40 C ATOM 1324 NZ LYS B 24 0.121 13.347 2.601 1.00 0.49 N ATOM 0 H LYS B 24 0.375 8.283 -2.379 1.00 0.24 H new ATOM 0 HA LYS B 24 -0.920 7.696 0.296 1.00 0.22 H new ATOM 0 HB2 LYS B 24 0.723 9.648 0.187 1.00 0.28 H new ATOM 0 HB3 LYS B 24 -0.187 10.313 -1.155 1.00 0.28 H new ATOM 0 HG2 LYS B 24 -2.247 10.378 0.333 1.00 0.30 H new ATOM 0 HG3 LYS B 24 -1.258 9.830 1.672 1.00 0.30 H new ATOM 0 HD2 LYS B 24 -0.137 12.165 0.180 1.00 0.36 H new ATOM 0 HD3 LYS B 24 -1.645 12.491 1.011 1.00 0.36 H new ATOM 0 HE2 LYS B 24 -0.591 11.394 3.115 1.00 0.40 H new ATOM 0 HE3 LYS B 24 0.936 11.397 2.256 1.00 0.40 H new ATOM 0 HZ1 LYS B 24 0.627 13.476 3.501 1.00 0.49 H new ATOM 0 HZ2 LYS B 24 0.662 13.792 1.833 1.00 0.49 H new ATOM 0 HZ3 LYS B 24 -0.818 13.789 2.665 1.00 0.49 H new ATOM 1338 N ALA B 25 -3.144 7.762 -0.689 1.00 0.15 N ATOM 1339 CA ALA B 25 -4.518 7.804 -1.270 1.00 0.17 C ATOM 1340 C ALA B 25 -5.546 8.096 -0.173 1.00 0.16 C ATOM 1341 O ALA B 25 -5.702 7.338 0.764 1.00 0.24 O ATOM 1342 CB ALA B 25 -4.756 6.419 -1.862 1.00 0.22 C ATOM 0 H ALA B 25 -3.054 7.208 0.163 1.00 0.15 H new ATOM 0 HA ALA B 25 -4.616 8.586 -2.023 1.00 0.17 H new ATOM 0 HB1 ALA B 25 -5.750 6.379 -2.307 1.00 0.22 H new ATOM 0 HB2 ALA B 25 -4.007 6.217 -2.628 1.00 0.22 H new ATOM 0 HB3 ALA B 25 -4.681 5.669 -1.075 1.00 0.22 H new ATOM 1348 N GLN B 26 -6.245 9.190 -0.285 1.00 0.16 N ATOM 1349 CA GLN B 26 -7.265 9.537 0.748 1.00 0.20 C ATOM 1350 C GLN B 26 -8.388 10.369 0.115 1.00 0.19 C ATOM 1351 O GLN B 26 -8.862 10.060 -0.959 1.00 0.26 O ATOM 1352 CB GLN B 26 -6.498 10.349 1.795 1.00 0.25 C ATOM 1353 CG GLN B 26 -5.854 11.563 1.123 1.00 0.31 C ATOM 1354 CD GLN B 26 -4.825 12.186 2.070 1.00 0.38 C ATOM 1355 OE1 GLN B 26 -3.983 11.495 2.614 1.00 0.46 O ATOM 1356 NE2 GLN B 26 -4.853 13.471 2.292 1.00 0.55 N ATOM 0 H GLN B 26 -6.155 9.861 -1.048 1.00 0.16 H new ATOM 0 HA GLN B 26 -7.738 8.659 1.188 1.00 0.20 H new ATOM 0 HB2 GLN B 26 -7.174 10.673 2.587 1.00 0.25 H new ATOM 0 HB3 GLN B 26 -5.733 9.730 2.263 1.00 0.25 H new ATOM 0 HG2 GLN B 26 -5.373 11.264 0.192 1.00 0.31 H new ATOM 0 HG3 GLN B 26 -6.618 12.297 0.865 1.00 0.31 H new ATOM 0 HE21 GLN B 26 -5.557 14.052 1.837 1.00 0.55 H new ATOM 0 HE22 GLN B 26 -4.170 13.895 2.920 1.00 0.55 H new ATOM 1365 N CYS B 27 -8.818 11.419 0.767 1.00 0.27 N ATOM 1366 CA CYS B 27 -9.906 12.265 0.190 1.00 0.31 C ATOM 1367 C CYS B 27 -10.113 13.522 1.043 1.00 0.32 C ATOM 1368 O CYS B 27 -10.234 13.458 2.252 1.00 0.40 O ATOM 1369 CB CYS B 27 -11.156 11.378 0.197 1.00 0.37 C ATOM 1370 SG CYS B 27 -11.831 11.260 1.874 1.00 0.33 S ATOM 0 H CYS B 27 -8.463 11.727 1.673 1.00 0.27 H new ATOM 0 HA CYS B 27 -9.670 12.610 -0.816 1.00 0.31 H new ATOM 0 HB2 CYS B 27 -11.907 11.790 -0.477 1.00 0.37 H new ATOM 0 HB3 CYS B 27 -10.907 10.384 -0.173 1.00 0.37 H new ATOM 1375 N ASP B 28 -10.151 14.663 0.414 1.00 0.30 N ATOM 1376 CA ASP B 28 -10.345 15.930 1.164 1.00 0.32 C ATOM 1377 C ASP B 28 -11.373 16.794 0.432 1.00 0.24 C ATOM 1378 O ASP B 28 -11.707 16.534 -0.708 1.00 0.26 O ATOM 1379 CB ASP B 28 -8.971 16.604 1.165 1.00 0.42 C ATOM 1380 CG ASP B 28 -8.886 17.599 2.324 1.00 0.51 C ATOM 1381 OD1 ASP B 28 -9.760 17.561 3.176 1.00 0.65 O ATOM 1382 OD2 ASP B 28 -7.947 18.380 2.341 1.00 0.55 O ATOM 0 H ASP B 28 -10.055 14.771 -0.596 1.00 0.30 H new ATOM 0 HA ASP B 28 -10.713 15.773 2.178 1.00 0.32 H new ATOM 0 HB2 ASP B 28 -8.187 15.853 1.260 1.00 0.42 H new ATOM 0 HB3 ASP B 28 -8.807 17.119 0.218 1.00 0.42 H new ATOM 1387 N LYS B 29 -11.884 17.810 1.069 1.00 0.29 N ATOM 1388 CA LYS B 29 -12.899 18.673 0.396 1.00 0.25 C ATOM 1389 C LYS B 29 -13.932 17.803 -0.325 1.00 0.20 C ATOM 1390 O LYS B 29 -13.727 17.386 -1.448 1.00 0.29 O ATOM 1391 CB LYS B 29 -12.111 19.508 -0.608 1.00 0.33 C ATOM 1392 CG LYS B 29 -11.531 20.736 0.092 1.00 0.40 C ATOM 1393 CD LYS B 29 -11.442 21.895 -0.901 1.00 0.46 C ATOM 1394 CE LYS B 29 -10.751 21.424 -2.182 1.00 0.55 C ATOM 1395 NZ LYS B 29 -10.253 22.670 -2.829 1.00 0.56 N ATOM 0 H LYS B 29 -11.645 18.081 2.023 1.00 0.29 H new ATOM 0 HA LYS B 29 -13.444 19.298 1.104 1.00 0.25 H new ATOM 0 HB2 LYS B 29 -11.309 18.912 -1.043 1.00 0.33 H new ATOM 0 HB3 LYS B 29 -12.759 19.816 -1.428 1.00 0.33 H new ATOM 0 HG2 LYS B 29 -12.159 21.016 0.938 1.00 0.40 H new ATOM 0 HG3 LYS B 29 -10.542 20.508 0.490 1.00 0.40 H new ATOM 0 HD2 LYS B 29 -12.440 22.267 -1.131 1.00 0.46 H new ATOM 0 HD3 LYS B 29 -10.887 22.723 -0.460 1.00 0.46 H new ATOM 0 HE2 LYS B 29 -9.932 20.739 -1.960 1.00 0.55 H new ATOM 0 HE3 LYS B 29 -11.445 20.891 -2.832 1.00 0.55 H new ATOM 0 HZ1 LYS B 29 -9.766 22.430 -3.716 1.00 0.56 H new ATOM 0 HZ2 LYS B 29 -11.055 23.299 -3.034 1.00 0.56 H new ATOM 0 HZ3 LYS B 29 -9.590 23.152 -2.189 1.00 0.56 H new ATOM 1409 N PHE B 30 -15.033 17.523 0.322 1.00 0.24 N ATOM 1410 CA PHE B 30 -16.101 16.673 -0.294 1.00 0.23 C ATOM 1411 C PHE B 30 -15.725 15.186 -0.207 1.00 0.22 C ATOM 1412 O PHE B 30 -16.579 14.336 -0.048 1.00 0.33 O ATOM 1413 CB PHE B 30 -16.233 17.124 -1.756 1.00 0.28 C ATOM 1414 CG PHE B 30 -16.097 18.628 -1.850 1.00 0.33 C ATOM 1415 CD1 PHE B 30 -16.873 19.461 -1.033 1.00 0.48 C ATOM 1416 CD2 PHE B 30 -15.190 19.188 -2.758 1.00 0.41 C ATOM 1417 CE1 PHE B 30 -16.739 20.853 -1.124 1.00 0.54 C ATOM 1418 CE2 PHE B 30 -15.056 20.579 -2.849 1.00 0.45 C ATOM 1419 CZ PHE B 30 -15.830 21.411 -2.034 1.00 0.45 C ATOM 0 H PHE B 30 -15.242 17.851 1.265 1.00 0.24 H new ATOM 0 HA PHE B 30 -17.049 16.789 0.232 1.00 0.23 H new ATOM 0 HB2 PHE B 30 -15.467 16.643 -2.364 1.00 0.28 H new ATOM 0 HB3 PHE B 30 -17.198 16.813 -2.155 1.00 0.28 H new ATOM 0 HD1 PHE B 30 -17.574 19.030 -0.333 1.00 0.48 H new ATOM 0 HD2 PHE B 30 -14.593 18.546 -3.389 1.00 0.41 H new ATOM 0 HE1 PHE B 30 -17.336 21.496 -0.493 1.00 0.54 H new ATOM 0 HE2 PHE B 30 -14.355 21.009 -3.549 1.00 0.45 H new ATOM 0 HZ PHE B 30 -15.728 22.484 -2.106 1.00 0.45 H new ATOM 1429 N CYS B 31 -14.460 14.858 -0.299 1.00 0.22 N ATOM 1430 CA CYS B 31 -14.055 13.426 -0.204 1.00 0.27 C ATOM 1431 C CYS B 31 -15.002 12.551 -1.036 1.00 0.33 C ATOM 1432 O CYS B 31 -15.212 11.391 -0.741 1.00 0.48 O ATOM 1433 CB CYS B 31 -14.167 13.104 1.293 1.00 0.27 C ATOM 1434 SG CYS B 31 -13.829 11.347 1.592 1.00 0.27 S ATOM 0 H CYS B 31 -13.695 15.519 -0.435 1.00 0.22 H new ATOM 0 HA CYS B 31 -13.053 13.238 -0.589 1.00 0.27 H new ATOM 0 HB2 CYS B 31 -13.463 13.717 1.856 1.00 0.27 H new ATOM 0 HB3 CYS B 31 -15.166 13.354 1.651 1.00 0.27 H new ATOM 1439 N SER B 32 -15.579 13.092 -2.081 1.00 0.35 N ATOM 1440 CA SER B 32 -16.509 12.268 -2.911 1.00 0.43 C ATOM 1441 C SER B 32 -16.405 12.609 -4.411 1.00 0.45 C ATOM 1442 O SER B 32 -16.934 11.899 -5.244 1.00 0.57 O ATOM 1443 CB SER B 32 -17.907 12.595 -2.385 1.00 0.44 C ATOM 1444 OG SER B 32 -18.167 13.981 -2.564 1.00 0.58 O ATOM 0 H SER B 32 -15.449 14.055 -2.391 1.00 0.35 H new ATOM 0 HA SER B 32 -16.268 11.208 -2.832 1.00 0.43 H new ATOM 0 HB2 SER B 32 -18.654 12.003 -2.913 1.00 0.44 H new ATOM 0 HB3 SER B 32 -17.981 12.333 -1.329 1.00 0.44 H new ATOM 0 HG SER B 32 -17.751 14.488 -1.836 1.00 0.58 H new ATOM 1450 N ILE B 33 -15.735 13.675 -4.774 1.00 0.40 N ATOM 1451 CA ILE B 33 -15.621 14.019 -6.223 1.00 0.43 C ATOM 1452 C ILE B 33 -14.147 14.172 -6.608 1.00 0.44 C ATOM 1453 O ILE B 33 -13.576 13.321 -7.265 1.00 0.49 O ATOM 1454 CB ILE B 33 -16.363 15.346 -6.372 1.00 0.43 C ATOM 1455 CG1 ILE B 33 -17.870 15.105 -6.240 1.00 0.45 C ATOM 1456 CG2 ILE B 33 -16.062 15.953 -7.745 1.00 0.49 C ATOM 1457 CD1 ILE B 33 -18.587 16.446 -6.059 1.00 0.48 C ATOM 0 H ILE B 33 -15.266 14.317 -4.135 1.00 0.40 H new ATOM 0 HA ILE B 33 -16.039 13.249 -6.871 1.00 0.43 H new ATOM 0 HB ILE B 33 -16.034 16.034 -5.593 1.00 0.43 H new ATOM 0 HG12 ILE B 33 -18.247 14.596 -7.127 1.00 0.45 H new ATOM 0 HG13 ILE B 33 -18.072 14.455 -5.389 1.00 0.45 H new ATOM 0 HG21 ILE B 33 -16.593 16.899 -7.849 1.00 0.49 H new ATOM 0 HG22 ILE B 33 -14.990 16.126 -7.839 1.00 0.49 H new ATOM 0 HG23 ILE B 33 -16.389 15.266 -8.526 1.00 0.49 H new ATOM 0 HD11 ILE B 33 -19.659 16.275 -5.965 1.00 0.48 H new ATOM 0 HD12 ILE B 33 -18.218 16.938 -5.159 1.00 0.48 H new ATOM 0 HD13 ILE B 33 -18.395 17.081 -6.924 1.00 0.48 H new ATOM 1469 N ARG B 34 -13.523 15.235 -6.180 1.00 0.42 N ATOM 1470 CA ARG B 34 -12.092 15.441 -6.491 1.00 0.43 C ATOM 1471 C ARG B 34 -11.311 15.513 -5.182 1.00 0.44 C ATOM 1472 O ARG B 34 -10.231 16.068 -5.110 1.00 0.48 O ATOM 1473 CB ARG B 34 -11.999 16.764 -7.264 1.00 0.44 C ATOM 1474 CG ARG B 34 -12.258 17.942 -6.317 1.00 0.45 C ATOM 1475 CD ARG B 34 -12.379 19.242 -7.126 1.00 0.47 C ATOM 1476 NE ARG B 34 -13.751 19.208 -7.710 1.00 0.47 N ATOM 1477 CZ ARG B 34 -13.987 19.774 -8.864 1.00 0.48 C ATOM 1478 NH1 ARG B 34 -13.686 21.029 -9.053 1.00 1.42 N ATOM 1479 NH2 ARG B 34 -14.528 19.084 -9.831 1.00 0.86 N ATOM 0 H ARG B 34 -13.953 15.973 -5.623 1.00 0.42 H new ATOM 0 HA ARG B 34 -11.675 14.629 -7.087 1.00 0.43 H new ATOM 0 HB2 ARG B 34 -11.013 16.861 -7.718 1.00 0.44 H new ATOM 0 HB3 ARG B 34 -12.726 16.772 -8.076 1.00 0.44 H new ATOM 0 HG2 ARG B 34 -13.172 17.770 -5.749 1.00 0.45 H new ATOM 0 HG3 ARG B 34 -11.445 18.026 -5.595 1.00 0.45 H new ATOM 0 HD2 ARG B 34 -12.243 20.117 -6.490 1.00 0.47 H new ATOM 0 HD3 ARG B 34 -11.619 19.293 -7.906 1.00 0.47 H new ATOM 0 HE ARG B 34 -14.507 18.742 -7.208 1.00 0.47 H new ATOM 0 HH11 ARG B 34 -13.265 21.572 -8.299 1.00 1.42 H new ATOM 0 HH12 ARG B 34 -13.872 21.468 -9.955 1.00 1.42 H new ATOM 0 HH21 ARG B 34 -14.767 18.103 -9.686 1.00 0.86 H new ATOM 0 HH22 ARG B 34 -14.712 19.526 -10.732 1.00 0.86 H new ATOM 1493 N GLY B 35 -11.871 14.958 -4.146 1.00 0.43 N ATOM 1494 CA GLY B 35 -11.207 14.979 -2.819 1.00 0.47 C ATOM 1495 C GLY B 35 -10.036 13.981 -2.758 1.00 0.45 C ATOM 1496 O GLY B 35 -9.030 14.271 -2.142 1.00 0.51 O ATOM 0 H GLY B 35 -12.774 14.484 -4.165 1.00 0.43 H new ATOM 0 HA2 GLY B 35 -10.841 15.984 -2.610 1.00 0.47 H new ATOM 0 HA3 GLY B 35 -11.934 14.737 -2.044 1.00 0.47 H new ATOM 1500 N PRO B 36 -10.199 12.825 -3.359 1.00 0.43 N ATOM 1501 CA PRO B 36 -9.126 11.802 -3.302 1.00 0.44 C ATOM 1502 C PRO B 36 -7.930 12.185 -4.172 1.00 0.37 C ATOM 1503 O PRO B 36 -8.061 12.823 -5.199 1.00 0.46 O ATOM 1504 CB PRO B 36 -9.797 10.538 -3.826 1.00 0.50 C ATOM 1505 CG PRO B 36 -10.924 11.022 -4.680 1.00 0.50 C ATOM 1506 CD PRO B 36 -11.359 12.358 -4.134 1.00 0.42 C ATOM 0 HA PRO B 36 -8.724 11.685 -2.296 1.00 0.44 H new ATOM 0 HB2 PRO B 36 -9.099 9.930 -4.402 1.00 0.50 H new ATOM 0 HB3 PRO B 36 -10.161 9.916 -3.008 1.00 0.50 H new ATOM 0 HG2 PRO B 36 -10.606 11.116 -5.718 1.00 0.50 H new ATOM 0 HG3 PRO B 36 -11.751 10.312 -4.663 1.00 0.50 H new ATOM 0 HD2 PRO B 36 -11.609 13.054 -4.935 1.00 0.42 H new ATOM 0 HD3 PRO B 36 -12.245 12.263 -3.507 1.00 0.42 H new ATOM 1514 N VAL B 37 -6.759 11.791 -3.752 1.00 0.31 N ATOM 1515 CA VAL B 37 -5.525 12.107 -4.520 1.00 0.31 C ATOM 1516 C VAL B 37 -4.585 10.913 -4.460 1.00 0.28 C ATOM 1517 O VAL B 37 -4.778 9.995 -3.687 1.00 0.35 O ATOM 1518 CB VAL B 37 -4.928 13.319 -3.807 1.00 0.45 C ATOM 1519 CG1 VAL B 37 -3.495 13.557 -4.283 1.00 0.56 C ATOM 1520 CG2 VAL B 37 -5.777 14.555 -4.114 1.00 0.57 C ATOM 0 H VAL B 37 -6.605 11.256 -2.897 1.00 0.31 H new ATOM 0 HA VAL B 37 -5.710 12.317 -5.573 1.00 0.31 H new ATOM 0 HB VAL B 37 -4.919 13.133 -2.733 1.00 0.45 H new ATOM 0 HG11 VAL B 37 -3.080 14.423 -3.768 1.00 0.56 H new ATOM 0 HG12 VAL B 37 -2.888 12.679 -4.063 1.00 0.56 H new ATOM 0 HG13 VAL B 37 -3.494 13.739 -5.358 1.00 0.56 H new ATOM 0 HG21 VAL B 37 -5.354 15.422 -3.607 1.00 0.57 H new ATOM 0 HG22 VAL B 37 -5.786 14.732 -5.189 1.00 0.57 H new ATOM 0 HG23 VAL B 37 -6.797 14.392 -3.765 1.00 0.57 H new ATOM 1530 N ILE B 38 -3.588 10.898 -5.288 1.00 0.30 N ATOM 1531 CA ILE B 38 -2.665 9.741 -5.293 1.00 0.38 C ATOM 1532 C ILE B 38 -1.243 10.193 -5.628 1.00 0.46 C ATOM 1533 O ILE B 38 -0.946 10.583 -6.738 1.00 0.62 O ATOM 1534 CB ILE B 38 -3.262 8.828 -6.374 1.00 0.46 C ATOM 1535 CG1 ILE B 38 -4.090 7.731 -5.702 1.00 0.60 C ATOM 1536 CG2 ILE B 38 -2.159 8.176 -7.221 1.00 0.54 C ATOM 1537 CD1 ILE B 38 -5.471 7.655 -6.357 1.00 0.70 C ATOM 0 H ILE B 38 -3.372 11.634 -5.960 1.00 0.30 H new ATOM 0 HA ILE B 38 -2.579 9.236 -4.331 1.00 0.38 H new ATOM 0 HB ILE B 38 -3.888 9.434 -7.029 1.00 0.46 H new ATOM 0 HG12 ILE B 38 -3.581 6.771 -5.791 1.00 0.60 H new ATOM 0 HG13 ILE B 38 -4.193 7.940 -4.637 1.00 0.60 H new ATOM 0 HG21 ILE B 38 -2.612 7.535 -7.978 1.00 0.54 H new ATOM 0 HG22 ILE B 38 -1.568 8.952 -7.708 1.00 0.54 H new ATOM 0 HG23 ILE B 38 -1.513 7.578 -6.579 1.00 0.54 H new ATOM 0 HD11 ILE B 38 -6.059 6.873 -5.877 1.00 0.70 H new ATOM 0 HD12 ILE B 38 -5.980 8.612 -6.245 1.00 0.70 H new ATOM 0 HD13 ILE B 38 -5.359 7.426 -7.417 1.00 0.70 H new ATOM 1549 N GLU B 39 -0.364 10.127 -4.668 1.00 0.44 N ATOM 1550 CA GLU B 39 1.046 10.537 -4.920 1.00 0.54 C ATOM 1551 C GLU B 39 1.972 9.343 -4.696 1.00 0.50 C ATOM 1552 O GLU B 39 1.800 8.581 -3.769 1.00 0.49 O ATOM 1553 CB GLU B 39 1.350 11.622 -3.887 1.00 0.62 C ATOM 1554 CG GLU B 39 0.512 12.867 -4.175 1.00 0.76 C ATOM 1555 CD GLU B 39 1.293 14.107 -3.734 1.00 0.92 C ATOM 1556 OE1 GLU B 39 2.420 13.947 -3.296 1.00 1.22 O ATOM 1557 OE2 GLU B 39 0.750 15.196 -3.838 1.00 1.00 O ATOM 0 H GLU B 39 -0.560 9.807 -3.720 1.00 0.44 H new ATOM 0 HA GLU B 39 1.191 10.894 -5.940 1.00 0.54 H new ATOM 0 HB2 GLU B 39 1.134 11.252 -2.885 1.00 0.62 H new ATOM 0 HB3 GLU B 39 2.410 11.873 -3.913 1.00 0.62 H new ATOM 0 HG2 GLU B 39 0.280 12.927 -5.238 1.00 0.76 H new ATOM 0 HG3 GLU B 39 -0.438 12.812 -3.644 1.00 0.76 H new ATOM 1564 N GLN B 40 2.953 9.174 -5.532 1.00 0.56 N ATOM 1565 CA GLN B 40 3.889 8.027 -5.353 1.00 0.55 C ATOM 1566 C GLN B 40 5.336 8.521 -5.402 1.00 0.56 C ATOM 1567 O GLN B 40 5.683 9.377 -6.195 1.00 0.68 O ATOM 1568 CB GLN B 40 3.590 7.086 -6.521 1.00 0.62 C ATOM 1569 CG GLN B 40 4.359 5.776 -6.333 1.00 0.68 C ATOM 1570 CD GLN B 40 4.991 5.363 -7.662 1.00 0.80 C ATOM 1571 OE1 GLN B 40 5.273 6.198 -8.498 1.00 0.94 O ATOM 1572 NE2 GLN B 40 5.224 4.100 -7.899 1.00 0.93 N ATOM 0 H GLN B 40 3.150 9.777 -6.331 1.00 0.56 H new ATOM 0 HA GLN B 40 3.760 7.527 -4.393 1.00 0.55 H new ATOM 0 HB2 GLN B 40 2.520 6.887 -6.576 1.00 0.62 H new ATOM 0 HB3 GLN B 40 3.876 7.556 -7.462 1.00 0.62 H new ATOM 0 HG2 GLN B 40 5.131 5.900 -5.574 1.00 0.68 H new ATOM 0 HG3 GLN B 40 3.687 4.994 -5.979 1.00 0.68 H new ATOM 0 HE21 GLN B 40 4.988 3.398 -7.198 1.00 0.93 H new ATOM 0 HE22 GLN B 40 5.642 3.816 -8.785 1.00 0.93 H new ATOM 1581 N GLY B 41 6.179 7.998 -4.557 1.00 0.49 N ATOM 1582 CA GLY B 41 7.602 8.445 -4.549 1.00 0.51 C ATOM 1583 C GLY B 41 8.377 7.681 -3.476 1.00 0.52 C ATOM 1584 O GLY B 41 7.862 6.777 -2.852 1.00 0.58 O ATOM 0 H GLY B 41 5.946 7.280 -3.871 1.00 0.49 H new ATOM 0 HA2 GLY B 41 8.052 8.274 -5.527 1.00 0.51 H new ATOM 0 HA3 GLY B 41 7.655 9.516 -4.356 1.00 0.51 H new ATOM 1588 N CYS B 42 9.613 8.043 -3.253 1.00 0.51 N ATOM 1589 CA CYS B 42 10.423 7.339 -2.213 1.00 0.52 C ATOM 1590 C CYS B 42 10.870 8.346 -1.144 1.00 0.49 C ATOM 1591 O CYS B 42 10.714 9.540 -1.307 1.00 0.58 O ATOM 1592 CB CYS B 42 11.643 6.747 -2.944 1.00 0.58 C ATOM 1593 SG CYS B 42 11.231 6.320 -4.663 1.00 0.67 S ATOM 0 H CYS B 42 10.097 8.794 -3.745 1.00 0.51 H new ATOM 0 HA CYS B 42 9.853 6.556 -1.713 1.00 0.52 H new ATOM 0 HB2 CYS B 42 12.463 7.465 -2.931 1.00 0.58 H new ATOM 0 HB3 CYS B 42 11.990 5.858 -2.418 1.00 0.58 H new ATOM 1598 N VAL B 43 11.426 7.883 -0.052 1.00 0.42 N ATOM 1599 CA VAL B 43 11.874 8.835 1.011 1.00 0.37 C ATOM 1600 C VAL B 43 12.783 8.124 2.045 1.00 0.37 C ATOM 1601 O VAL B 43 13.993 8.206 1.954 1.00 0.45 O ATOM 1602 CB VAL B 43 10.562 9.367 1.618 1.00 0.33 C ATOM 1603 CG1 VAL B 43 10.684 9.579 3.134 1.00 0.33 C ATOM 1604 CG2 VAL B 43 10.207 10.703 0.964 1.00 0.39 C ATOM 0 H VAL B 43 11.588 6.896 0.149 1.00 0.42 H new ATOM 0 HA VAL B 43 12.488 9.651 0.630 1.00 0.37 H new ATOM 0 HB VAL B 43 9.784 8.626 1.434 1.00 0.33 H new ATOM 0 HG11 VAL B 43 9.739 9.955 3.526 1.00 0.33 H new ATOM 0 HG12 VAL B 43 10.926 8.631 3.616 1.00 0.33 H new ATOM 0 HG13 VAL B 43 11.474 10.302 3.338 1.00 0.33 H new ATOM 0 HG21 VAL B 43 9.279 11.082 1.392 1.00 0.39 H new ATOM 0 HG22 VAL B 43 11.008 11.420 1.143 1.00 0.39 H new ATOM 0 HG23 VAL B 43 10.081 10.561 -0.109 1.00 0.39 H new ATOM 1614 N ALA B 44 12.236 7.430 3.017 1.00 0.36 N ATOM 1615 CA ALA B 44 13.119 6.741 4.015 1.00 0.39 C ATOM 1616 C ALA B 44 12.298 6.073 5.125 1.00 0.35 C ATOM 1617 O ALA B 44 12.654 5.024 5.625 1.00 0.34 O ATOM 1618 CB ALA B 44 13.995 7.846 4.610 1.00 0.46 C ATOM 0 H ALA B 44 11.233 7.312 3.162 1.00 0.36 H new ATOM 0 HA ALA B 44 13.703 5.952 3.542 1.00 0.39 H new ATOM 0 HB1 ALA B 44 14.669 7.416 5.351 1.00 0.46 H new ATOM 0 HB2 ALA B 44 14.578 8.315 3.817 1.00 0.46 H new ATOM 0 HB3 ALA B 44 13.362 8.595 5.086 1.00 0.46 H new ATOM 1624 N THR B 45 11.215 6.676 5.525 1.00 0.41 N ATOM 1625 CA THR B 45 10.390 6.075 6.616 1.00 0.43 C ATOM 1626 C THR B 45 8.931 5.926 6.176 1.00 0.42 C ATOM 1627 O THR B 45 8.449 6.650 5.330 1.00 0.42 O ATOM 1628 CB THR B 45 10.498 7.063 7.780 1.00 0.49 C ATOM 1629 OG1 THR B 45 11.859 7.202 8.163 1.00 0.48 O ATOM 1630 CG2 THR B 45 9.684 6.546 8.970 1.00 0.57 C ATOM 0 H THR B 45 10.864 7.556 5.147 1.00 0.41 H new ATOM 0 HA THR B 45 10.736 5.077 6.886 1.00 0.43 H new ATOM 0 HB THR B 45 10.108 8.032 7.467 1.00 0.49 H new ATOM 0 HG1 THR B 45 11.926 7.836 8.907 1.00 0.48 H new ATOM 0 HG21 THR B 45 9.762 7.251 9.798 1.00 0.57 H new ATOM 0 HG22 THR B 45 8.639 6.443 8.679 1.00 0.57 H new ATOM 0 HG23 THR B 45 10.071 5.576 9.282 1.00 0.57 H new ATOM 1638 N CYS B 46 8.229 4.991 6.750 1.00 0.41 N ATOM 1639 CA CYS B 46 6.800 4.788 6.379 1.00 0.39 C ATOM 1640 C CYS B 46 5.907 5.131 7.576 1.00 0.37 C ATOM 1641 O CYS B 46 6.247 4.826 8.702 1.00 0.42 O ATOM 1642 CB CYS B 46 6.701 3.302 6.026 1.00 0.43 C ATOM 1643 SG CYS B 46 5.152 2.984 5.153 1.00 0.51 S ATOM 0 H CYS B 46 8.584 4.355 7.464 1.00 0.41 H new ATOM 0 HA CYS B 46 6.478 5.420 5.552 1.00 0.39 H new ATOM 0 HB2 CYS B 46 7.547 3.009 5.404 1.00 0.43 H new ATOM 0 HB3 CYS B 46 6.749 2.699 6.933 1.00 0.43 H new ATOM 1648 N PRO B 47 4.794 5.758 7.301 1.00 0.34 N ATOM 1649 CA PRO B 47 3.861 6.142 8.388 1.00 0.34 C ATOM 1650 C PRO B 47 3.215 4.895 8.995 1.00 0.33 C ATOM 1651 O PRO B 47 3.032 3.895 8.330 1.00 0.42 O ATOM 1652 CB PRO B 47 2.830 7.019 7.681 1.00 0.41 C ATOM 1653 CG PRO B 47 2.885 6.605 6.245 1.00 0.43 C ATOM 1654 CD PRO B 47 4.298 6.156 5.978 1.00 0.38 C ATOM 0 HA PRO B 47 4.346 6.660 9.216 1.00 0.34 H new ATOM 0 HB2 PRO B 47 1.834 6.869 8.097 1.00 0.41 H new ATOM 0 HB3 PRO B 47 3.067 8.077 7.796 1.00 0.41 H new ATOM 0 HG2 PRO B 47 2.179 5.799 6.047 1.00 0.43 H new ATOM 0 HG3 PRO B 47 2.613 7.434 5.592 1.00 0.43 H new ATOM 0 HD2 PRO B 47 4.327 5.325 5.273 1.00 0.38 H new ATOM 0 HD3 PRO B 47 4.899 6.959 5.550 1.00 0.38 H new ATOM 1662 N GLN B 48 2.873 4.940 10.255 1.00 0.34 N ATOM 1663 CA GLN B 48 2.249 3.765 10.899 1.00 0.39 C ATOM 1664 C GLN B 48 0.850 3.550 10.330 1.00 0.43 C ATOM 1665 O GLN B 48 -0.134 3.605 11.038 1.00 0.55 O ATOM 1666 CB GLN B 48 2.197 4.095 12.390 1.00 0.43 C ATOM 1667 CG GLN B 48 3.624 4.162 12.940 1.00 0.42 C ATOM 1668 CD GLN B 48 3.703 5.230 14.033 1.00 0.55 C ATOM 1669 OE1 GLN B 48 2.919 5.226 14.961 1.00 0.77 O ATOM 1670 NE2 GLN B 48 4.629 6.150 13.963 1.00 0.67 N ATOM 0 H GLN B 48 3.003 5.748 10.863 1.00 0.34 H new ATOM 0 HA GLN B 48 2.808 2.846 10.722 1.00 0.39 H new ATOM 0 HB2 GLN B 48 1.689 5.047 12.547 1.00 0.43 H new ATOM 0 HB3 GLN B 48 1.624 3.336 12.923 1.00 0.43 H new ATOM 0 HG2 GLN B 48 3.915 3.192 13.343 1.00 0.42 H new ATOM 0 HG3 GLN B 48 4.323 4.396 12.137 1.00 0.42 H new ATOM 0 HE21 GLN B 48 5.287 6.153 13.184 1.00 0.67 H new ATOM 0 HE22 GLN B 48 4.694 6.865 14.688 1.00 0.67 H new ATOM 1679 N PHE B 49 0.797 3.312 9.045 1.00 0.40 N ATOM 1680 CA PHE B 49 -0.494 3.082 8.309 1.00 0.43 C ATOM 1681 C PHE B 49 -1.702 3.044 9.254 1.00 0.42 C ATOM 1682 O PHE B 49 -1.860 2.128 10.037 1.00 0.72 O ATOM 1683 CB PHE B 49 -0.308 1.719 7.648 1.00 0.40 C ATOM 1684 CG PHE B 49 0.224 1.877 6.240 1.00 0.41 C ATOM 1685 CD1 PHE B 49 1.346 2.679 5.984 1.00 0.50 C ATOM 1686 CD2 PHE B 49 -0.398 1.196 5.190 1.00 0.39 C ATOM 1687 CE1 PHE B 49 1.840 2.796 4.680 1.00 0.55 C ATOM 1688 CE2 PHE B 49 0.096 1.315 3.887 1.00 0.45 C ATOM 1689 CZ PHE B 49 1.216 2.115 3.632 1.00 0.51 C ATOM 0 H PHE B 49 1.624 3.265 8.450 1.00 0.40 H new ATOM 0 HA PHE B 49 -0.697 3.886 7.602 1.00 0.43 H new ATOM 0 HB2 PHE B 49 0.381 1.114 8.237 1.00 0.40 H new ATOM 0 HB3 PHE B 49 -1.259 1.187 7.625 1.00 0.40 H new ATOM 0 HD1 PHE B 49 1.829 3.206 6.794 1.00 0.50 H new ATOM 0 HD2 PHE B 49 -1.261 0.577 5.385 1.00 0.39 H new ATOM 0 HE1 PHE B 49 2.704 3.413 4.484 1.00 0.55 H new ATOM 0 HE2 PHE B 49 -0.387 0.789 3.077 1.00 0.45 H new ATOM 0 HZ PHE B 49 1.597 2.206 2.626 1.00 0.51 H new ATOM 1699 N ARG B 50 -2.554 4.031 9.190 1.00 0.44 N ATOM 1700 CA ARG B 50 -3.745 4.043 10.091 1.00 0.48 C ATOM 1701 C ARG B 50 -5.039 3.949 9.279 1.00 0.42 C ATOM 1702 O ARG B 50 -5.068 4.229 8.096 1.00 0.41 O ATOM 1703 CB ARG B 50 -3.683 5.374 10.834 1.00 0.53 C ATOM 1704 CG ARG B 50 -2.299 5.551 11.450 1.00 0.61 C ATOM 1705 CD ARG B 50 -2.016 7.041 11.616 1.00 0.72 C ATOM 1706 NE ARG B 50 -3.215 7.585 12.310 1.00 0.64 N ATOM 1707 CZ ARG B 50 -3.174 7.822 13.592 1.00 0.74 C ATOM 1708 NH1 ARG B 50 -2.471 7.052 14.378 1.00 0.76 N ATOM 1709 NH2 ARG B 50 -3.829 8.833 14.089 1.00 1.04 N ATOM 0 H ARG B 50 -2.479 4.827 8.556 1.00 0.44 H new ATOM 0 HA ARG B 50 -3.737 3.194 10.775 1.00 0.48 H new ATOM 0 HB2 ARG B 50 -3.895 6.195 10.149 1.00 0.53 H new ATOM 0 HB3 ARG B 50 -4.445 5.403 11.613 1.00 0.53 H new ATOM 0 HG2 ARG B 50 -2.250 5.049 12.416 1.00 0.61 H new ATOM 0 HG3 ARG B 50 -1.542 5.093 10.813 1.00 0.61 H new ATOM 0 HD2 ARG B 50 -1.112 7.208 12.201 1.00 0.72 H new ATOM 0 HD3 ARG B 50 -1.865 7.524 10.651 1.00 0.72 H new ATOM 0 HE ARG B 50 -4.068 7.772 11.783 1.00 0.64 H new ATOM 0 HH11 ARG B 50 -1.953 6.264 13.990 1.00 0.76 H new ATOM 0 HH12 ARG B 50 -2.440 7.239 15.380 1.00 0.76 H new ATOM 0 HH21 ARG B 50 -4.374 9.439 13.476 1.00 1.04 H new ATOM 0 HH22 ARG B 50 -3.797 9.018 15.092 1.00 1.04 H new ATOM 1723 N SER B 51 -6.102 3.548 9.915 1.00 0.46 N ATOM 1724 CA SER B 51 -7.411 3.417 9.208 1.00 0.45 C ATOM 1725 C SER B 51 -8.057 4.791 8.979 1.00 0.45 C ATOM 1726 O SER B 51 -9.227 4.984 9.247 1.00 0.63 O ATOM 1727 CB SER B 51 -8.270 2.569 10.145 1.00 0.55 C ATOM 1728 OG SER B 51 -7.646 1.307 10.339 1.00 0.59 O ATOM 0 H SER B 51 -6.123 3.302 10.905 1.00 0.46 H new ATOM 0 HA SER B 51 -7.299 2.967 8.222 1.00 0.45 H new ATOM 0 HB2 SER B 51 -8.396 3.077 11.101 1.00 0.55 H new ATOM 0 HB3 SER B 51 -9.266 2.434 9.722 1.00 0.55 H new ATOM 0 HG SER B 51 -8.193 0.761 10.941 1.00 0.59 H new ATOM 1734 N ASN B 52 -7.313 5.751 8.491 1.00 0.38 N ATOM 1735 CA ASN B 52 -7.907 7.101 8.258 1.00 0.36 C ATOM 1736 C ASN B 52 -7.819 7.473 6.773 1.00 0.39 C ATOM 1737 O ASN B 52 -8.391 8.451 6.335 1.00 0.71 O ATOM 1738 CB ASN B 52 -7.065 8.058 9.103 1.00 0.41 C ATOM 1739 CG ASN B 52 -7.484 7.948 10.571 1.00 0.52 C ATOM 1740 OD1 ASN B 52 -6.694 7.568 11.414 1.00 0.63 O ATOM 1741 ND2 ASN B 52 -8.702 8.269 10.914 1.00 0.66 N ATOM 0 H ASN B 52 -6.327 5.659 8.246 1.00 0.38 H new ATOM 0 HA ASN B 52 -8.962 7.138 8.531 1.00 0.36 H new ATOM 0 HB2 ASN B 52 -6.007 7.818 8.997 1.00 0.41 H new ATOM 0 HB3 ASN B 52 -7.197 9.082 8.752 1.00 0.41 H new ATOM 0 HD21 ASN B 52 -8.992 8.201 11.890 1.00 0.66 H new ATOM 0 HD22 ASN B 52 -9.364 8.588 10.206 1.00 0.66 H new ATOM 1748 N TYR B 53 -7.112 6.696 5.997 1.00 0.22 N ATOM 1749 CA TYR B 53 -6.988 6.996 4.545 1.00 0.26 C ATOM 1750 C TYR B 53 -7.900 6.058 3.749 1.00 0.26 C ATOM 1751 O TYR B 53 -8.732 5.372 4.307 1.00 0.34 O ATOM 1752 CB TYR B 53 -5.515 6.735 4.220 1.00 0.35 C ATOM 1753 CG TYR B 53 -4.637 7.404 5.255 1.00 0.32 C ATOM 1754 CD1 TYR B 53 -4.405 6.781 6.490 1.00 0.43 C ATOM 1755 CD2 TYR B 53 -4.055 8.649 4.979 1.00 0.37 C ATOM 1756 CE1 TYR B 53 -3.590 7.403 7.446 1.00 0.50 C ATOM 1757 CE2 TYR B 53 -3.241 9.269 5.936 1.00 0.46 C ATOM 1758 CZ TYR B 53 -3.010 8.645 7.169 1.00 0.51 C ATOM 1759 OH TYR B 53 -2.210 9.255 8.114 1.00 0.66 O ATOM 0 H TYR B 53 -6.613 5.863 6.310 1.00 0.22 H new ATOM 0 HA TYR B 53 -7.281 8.015 4.293 1.00 0.26 H new ATOM 0 HB2 TYR B 53 -5.321 5.663 4.203 1.00 0.35 H new ATOM 0 HB3 TYR B 53 -5.279 7.117 3.227 1.00 0.35 H new ATOM 0 HD1 TYR B 53 -4.854 5.822 6.704 1.00 0.43 H new ATOM 0 HD2 TYR B 53 -4.234 9.130 4.029 1.00 0.37 H new ATOM 0 HE1 TYR B 53 -3.410 6.923 8.397 1.00 0.50 H new ATOM 0 HE2 TYR B 53 -2.792 10.228 5.723 1.00 0.46 H new ATOM 0 HH TYR B 53 -1.885 10.111 7.764 1.00 0.66 H new ATOM 1769 N ARG B 54 -7.752 6.017 2.454 1.00 0.24 N ATOM 1770 CA ARG B 54 -8.616 5.113 1.637 1.00 0.26 C ATOM 1771 C ARG B 54 -7.747 4.078 0.930 1.00 0.26 C ATOM 1772 O ARG B 54 -8.232 3.087 0.417 1.00 0.37 O ATOM 1773 CB ARG B 54 -9.290 6.015 0.602 1.00 0.26 C ATOM 1774 CG ARG B 54 -10.042 7.143 1.305 1.00 0.26 C ATOM 1775 CD ARG B 54 -11.534 7.027 0.989 1.00 0.31 C ATOM 1776 NE ARG B 54 -12.213 7.824 2.044 1.00 0.45 N ATOM 1777 CZ ARG B 54 -12.617 7.243 3.140 1.00 0.56 C ATOM 1778 NH1 ARG B 54 -13.270 6.115 3.079 1.00 0.69 N ATOM 1779 NH2 ARG B 54 -12.366 7.793 4.296 1.00 0.67 N ATOM 0 H ARG B 54 -7.074 6.567 1.926 1.00 0.24 H new ATOM 0 HA ARG B 54 -9.345 4.581 2.248 1.00 0.26 H new ATOM 0 HB2 ARG B 54 -8.542 6.431 -0.073 1.00 0.26 H new ATOM 0 HB3 ARG B 54 -9.980 5.431 -0.007 1.00 0.26 H new ATOM 0 HG2 ARG B 54 -9.881 7.088 2.382 1.00 0.26 H new ATOM 0 HG3 ARG B 54 -9.662 8.110 0.975 1.00 0.26 H new ATOM 0 HD2 ARG B 54 -11.758 7.415 -0.005 1.00 0.31 H new ATOM 0 HD3 ARG B 54 -11.862 5.988 1.007 1.00 0.31 H new ATOM 0 HE ARG B 54 -12.363 8.824 1.911 1.00 0.45 H new ATOM 0 HH11 ARG B 54 -13.465 5.687 2.174 1.00 0.69 H new ATOM 0 HH12 ARG B 54 -13.586 5.661 3.936 1.00 0.69 H new ATOM 0 HH21 ARG B 54 -11.855 8.675 4.341 1.00 0.67 H new ATOM 0 HH22 ARG B 54 -12.681 7.341 5.155 1.00 0.67 H new ATOM 1793 N SER B 55 -6.467 4.302 0.900 1.00 0.23 N ATOM 1794 CA SER B 55 -5.555 3.337 0.226 1.00 0.26 C ATOM 1795 C SER B 55 -4.114 3.812 0.363 1.00 0.24 C ATOM 1796 O SER B 55 -3.774 4.921 -0.003 1.00 0.31 O ATOM 1797 CB SER B 55 -5.989 3.335 -1.241 1.00 0.29 C ATOM 1798 OG SER B 55 -4.843 3.190 -2.071 1.00 0.35 O ATOM 0 H SER B 55 -6.009 5.114 1.314 1.00 0.23 H new ATOM 0 HA SER B 55 -5.607 2.338 0.660 1.00 0.26 H new ATOM 0 HB2 SER B 55 -6.690 2.520 -1.424 1.00 0.29 H new ATOM 0 HB3 SER B 55 -6.510 4.263 -1.479 1.00 0.29 H new ATOM 0 HG SER B 55 -5.119 3.187 -3.011 1.00 0.35 H new ATOM 1804 N LEU B 56 -3.266 2.987 0.893 1.00 0.27 N ATOM 1805 CA LEU B 56 -1.847 3.406 1.056 1.00 0.28 C ATOM 1806 C LEU B 56 -0.906 2.272 0.637 1.00 0.29 C ATOM 1807 O LEU B 56 -1.041 1.145 1.065 1.00 0.36 O ATOM 1808 CB LEU B 56 -1.695 3.721 2.545 1.00 0.30 C ATOM 1809 CG LEU B 56 -1.211 5.161 2.729 1.00 0.28 C ATOM 1810 CD1 LEU B 56 -1.464 5.600 4.171 1.00 0.35 C ATOM 1811 CD2 LEU B 56 0.290 5.237 2.434 1.00 0.30 C ATOM 0 H LEU B 56 -3.487 2.046 1.220 1.00 0.27 H new ATOM 0 HA LEU B 56 -1.595 4.265 0.434 1.00 0.28 H new ATOM 0 HB2 LEU B 56 -2.649 3.582 3.054 1.00 0.30 H new ATOM 0 HB3 LEU B 56 -0.986 3.029 3.001 1.00 0.30 H new ATOM 0 HG LEU B 56 -1.751 5.816 2.045 1.00 0.28 H new ATOM 0 HD11 LEU B 56 -1.120 6.626 4.305 1.00 0.35 H new ATOM 0 HD12 LEU B 56 -2.531 5.544 4.386 1.00 0.35 H new ATOM 0 HD13 LEU B 56 -0.922 4.944 4.852 1.00 0.35 H new ATOM 0 HD21 LEU B 56 0.635 6.263 2.565 1.00 0.30 H new ATOM 0 HD22 LEU B 56 0.829 4.583 3.119 1.00 0.30 H new ATOM 0 HD23 LEU B 56 0.476 4.920 1.408 1.00 0.30 H new ATOM 1823 N LEU B 57 0.054 2.576 -0.193 1.00 0.29 N ATOM 1824 CA LEU B 57 1.020 1.536 -0.643 1.00 0.30 C ATOM 1825 C LEU B 57 2.417 1.939 -0.181 1.00 0.33 C ATOM 1826 O LEU B 57 2.894 3.014 -0.483 1.00 0.45 O ATOM 1827 CB LEU B 57 0.936 1.541 -2.167 1.00 0.34 C ATOM 1828 CG LEU B 57 1.750 0.375 -2.730 1.00 0.39 C ATOM 1829 CD1 LEU B 57 1.129 -0.085 -4.049 1.00 0.54 C ATOM 1830 CD2 LEU B 57 3.187 0.835 -2.977 1.00 0.58 C ATOM 0 H LEU B 57 0.211 3.506 -0.581 1.00 0.29 H new ATOM 0 HA LEU B 57 0.803 0.547 -0.240 1.00 0.30 H new ATOM 0 HB2 LEU B 57 -0.104 1.458 -2.484 1.00 0.34 H new ATOM 0 HB3 LEU B 57 1.315 2.485 -2.559 1.00 0.34 H new ATOM 0 HG LEU B 57 1.748 -0.451 -2.019 1.00 0.39 H new ATOM 0 HD11 LEU B 57 1.707 -0.916 -4.453 1.00 0.54 H new ATOM 0 HD12 LEU B 57 0.102 -0.408 -3.875 1.00 0.54 H new ATOM 0 HD13 LEU B 57 1.134 0.740 -4.761 1.00 0.54 H new ATOM 0 HD21 LEU B 57 3.770 0.006 -3.378 1.00 0.58 H new ATOM 0 HD22 LEU B 57 3.188 1.659 -3.691 1.00 0.58 H new ATOM 0 HD23 LEU B 57 3.629 1.168 -2.038 1.00 0.58 H new ATOM 1842 N CYS B 58 3.067 1.102 0.575 1.00 0.29 N ATOM 1843 CA CYS B 58 4.413 1.473 1.079 1.00 0.30 C ATOM 1844 C CYS B 58 5.366 0.278 1.076 1.00 0.30 C ATOM 1845 O CYS B 58 4.974 -0.855 1.311 1.00 0.34 O ATOM 1846 CB CYS B 58 4.158 1.942 2.509 1.00 0.34 C ATOM 1847 SG CYS B 58 5.724 2.323 3.331 1.00 0.41 S ATOM 0 H CYS B 58 2.727 0.185 0.863 1.00 0.29 H new ATOM 0 HA CYS B 58 4.885 2.232 0.455 1.00 0.30 H new ATOM 0 HB2 CYS B 58 3.519 2.825 2.501 1.00 0.34 H new ATOM 0 HB3 CYS B 58 3.627 1.169 3.064 1.00 0.34 H new ATOM 1852 N CYS B 59 6.620 0.541 0.835 1.00 0.31 N ATOM 1853 CA CYS B 59 7.636 -0.541 0.848 1.00 0.32 C ATOM 1854 C CYS B 59 8.688 -0.189 1.893 1.00 0.32 C ATOM 1855 O CYS B 59 9.760 0.291 1.579 1.00 0.41 O ATOM 1856 CB CYS B 59 8.241 -0.561 -0.556 1.00 0.36 C ATOM 1857 SG CYS B 59 6.917 -0.629 -1.786 1.00 0.41 S ATOM 0 H CYS B 59 6.985 1.470 0.628 1.00 0.31 H new ATOM 0 HA CYS B 59 7.222 -1.518 1.097 1.00 0.32 H new ATOM 0 HB2 CYS B 59 8.851 0.328 -0.713 1.00 0.36 H new ATOM 0 HB3 CYS B 59 8.899 -1.423 -0.667 1.00 0.36 H new ATOM 1862 N THR B 60 8.371 -0.393 3.138 1.00 0.31 N ATOM 1863 CA THR B 60 9.323 -0.039 4.222 1.00 0.32 C ATOM 1864 C THR B 60 10.679 -0.735 4.026 1.00 0.34 C ATOM 1865 O THR B 60 11.680 -0.292 4.549 1.00 0.39 O ATOM 1866 CB THR B 60 8.628 -0.510 5.503 1.00 0.36 C ATOM 1867 OG1 THR B 60 8.467 -1.919 5.460 1.00 0.42 O ATOM 1868 CG2 THR B 60 7.252 0.159 5.613 1.00 0.44 C ATOM 0 H THR B 60 7.487 -0.793 3.453 1.00 0.31 H new ATOM 0 HA THR B 60 9.550 1.027 4.244 1.00 0.32 H new ATOM 0 HB THR B 60 9.234 -0.239 6.368 1.00 0.36 H new ATOM 0 HG1 THR B 60 7.514 -2.141 5.514 1.00 0.42 H new ATOM 0 HG21 THR B 60 6.757 -0.176 6.524 1.00 0.44 H new ATOM 0 HG22 THR B 60 7.375 1.242 5.643 1.00 0.44 H new ATOM 0 HG23 THR B 60 6.645 -0.113 4.749 1.00 0.44 H new ATOM 1876 N THR B 61 10.736 -1.805 3.276 1.00 0.36 N ATOM 1877 CA THR B 61 12.053 -2.481 3.073 1.00 0.45 C ATOM 1878 C THR B 61 12.330 -2.726 1.581 1.00 0.48 C ATOM 1879 O THR B 61 11.459 -2.600 0.744 1.00 0.67 O ATOM 1880 CB THR B 61 11.949 -3.810 3.826 1.00 0.48 C ATOM 1881 OG1 THR B 61 11.105 -4.698 3.107 1.00 0.58 O ATOM 1882 CG2 THR B 61 11.366 -3.570 5.220 1.00 0.56 C ATOM 0 H THR B 61 9.942 -2.235 2.802 1.00 0.36 H new ATOM 0 HA THR B 61 12.875 -1.866 3.440 1.00 0.45 H new ATOM 0 HB THR B 61 12.943 -4.248 3.921 1.00 0.48 H new ATOM 0 HG1 THR B 61 10.438 -5.080 3.715 1.00 0.58 H new ATOM 0 HG21 THR B 61 11.294 -4.518 5.752 1.00 0.56 H new ATOM 0 HG22 THR B 61 12.015 -2.891 5.774 1.00 0.56 H new ATOM 0 HG23 THR B 61 10.373 -3.129 5.128 1.00 0.56 H new ATOM 1890 N ASP B 62 13.549 -3.078 1.254 1.00 0.36 N ATOM 1891 CA ASP B 62 13.919 -3.339 -0.173 1.00 0.37 C ATOM 1892 C ASP B 62 13.697 -2.089 -1.030 1.00 0.39 C ATOM 1893 O ASP B 62 13.421 -1.017 -0.527 1.00 0.43 O ATOM 1894 CB ASP B 62 13.008 -4.480 -0.628 1.00 0.33 C ATOM 1895 CG ASP B 62 13.860 -5.682 -1.044 1.00 0.40 C ATOM 1896 OD1 ASP B 62 14.652 -6.130 -0.232 1.00 0.48 O ATOM 1897 OD2 ASP B 62 13.703 -6.135 -2.166 1.00 0.58 O ATOM 0 H ASP B 62 14.311 -3.197 1.921 1.00 0.36 H new ATOM 0 HA ASP B 62 14.972 -3.600 -0.276 1.00 0.37 H new ATOM 0 HB2 ASP B 62 12.332 -4.763 0.179 1.00 0.33 H new ATOM 0 HB3 ASP B 62 12.389 -4.154 -1.464 1.00 0.33 H new ATOM 1902 N ASN B 63 13.833 -2.214 -2.322 1.00 0.39 N ATOM 1903 CA ASN B 63 13.647 -1.037 -3.210 1.00 0.41 C ATOM 1904 C ASN B 63 12.186 -0.939 -3.660 1.00 0.44 C ATOM 1905 O ASN B 63 11.885 -0.479 -4.744 1.00 0.50 O ATOM 1906 CB ASN B 63 14.579 -1.304 -4.395 1.00 0.42 C ATOM 1907 CG ASN B 63 13.903 -2.221 -5.420 1.00 0.43 C ATOM 1908 OD1 ASN B 63 13.203 -1.691 -6.386 1.00 0.43 O flip ATOM 1909 ND2 ASN B 63 14.018 -3.428 -5.341 1.00 0.59 N flip ATOM 0 H ASN B 63 14.066 -3.084 -2.800 1.00 0.39 H new ATOM 0 HA ASN B 63 13.877 -0.092 -2.718 1.00 0.41 H new ATOM 0 HB2 ASN B 63 14.853 -0.361 -4.868 1.00 0.42 H new ATOM 0 HB3 ASN B 63 15.502 -1.763 -4.042 1.00 0.42 H new ATOM 0 HD21 ASN B 63 14.566 -3.840 -4.585 1.00 0.59 H new ATOM 0 HD22 ASN B 63 13.567 -4.029 -6.030 1.00 0.59 H new ATOM 1916 N CYS B 64 11.278 -1.376 -2.832 1.00 0.42 N ATOM 1917 CA CYS B 64 9.833 -1.325 -3.202 1.00 0.43 C ATOM 1918 C CYS B 64 9.608 -1.938 -4.589 1.00 0.46 C ATOM 1919 O CYS B 64 8.576 -1.739 -5.201 1.00 0.56 O ATOM 1920 CB CYS B 64 9.473 0.162 -3.214 1.00 0.45 C ATOM 1921 SG CYS B 64 7.679 0.348 -3.383 1.00 0.47 S ATOM 0 H CYS B 64 11.474 -1.768 -1.911 1.00 0.42 H new ATOM 0 HA CYS B 64 9.217 -1.891 -2.503 1.00 0.43 H new ATOM 0 HB2 CYS B 64 9.813 0.637 -2.294 1.00 0.45 H new ATOM 0 HB3 CYS B 64 9.981 0.663 -4.038 1.00 0.45 H new ATOM 1926 N ASN B 65 10.554 -2.691 -5.089 1.00 0.43 N ATOM 1927 CA ASN B 65 10.379 -3.313 -6.430 1.00 0.44 C ATOM 1928 C ASN B 65 9.906 -2.270 -7.442 1.00 0.43 C ATOM 1929 O ASN B 65 9.076 -2.537 -8.287 1.00 0.44 O ATOM 1930 CB ASN B 65 9.322 -4.396 -6.224 1.00 0.45 C ATOM 1931 CG ASN B 65 9.971 -5.603 -5.546 1.00 0.49 C ATOM 1932 OD1 ASN B 65 11.019 -6.058 -5.962 1.00 0.71 O ATOM 1933 ND2 ASN B 65 9.392 -6.146 -4.514 1.00 0.50 N ATOM 0 H ASN B 65 11.438 -2.900 -4.625 1.00 0.43 H new ATOM 0 HA ASN B 65 11.309 -3.724 -6.823 1.00 0.44 H new ATOM 0 HB2 ASN B 65 8.506 -4.014 -5.611 1.00 0.45 H new ATOM 0 HB3 ASN B 65 8.891 -4.689 -7.182 1.00 0.45 H new ATOM 0 HD21 ASN B 65 9.818 -6.952 -4.056 1.00 0.50 H new ATOM 0 HD22 ASN B 65 8.513 -5.766 -4.164 1.00 0.50 H new ATOM 1940 N HIS B 66 10.446 -1.086 -7.372 1.00 0.48 N ATOM 1941 CA HIS B 66 10.052 -0.036 -8.325 1.00 0.54 C ATOM 1942 C HIS B 66 11.112 1.066 -8.367 1.00 0.58 C ATOM 1943 O HIS B 66 11.528 1.503 -7.306 1.00 0.61 O ATOM 1944 CB HIS B 66 8.717 0.498 -7.806 1.00 0.53 C ATOM 1945 CG HIS B 66 7.596 -0.351 -8.340 1.00 0.53 C ATOM 1946 ND1 HIS B 66 7.664 -0.976 -9.577 1.00 0.63 N ATOM 1947 CD2 HIS B 66 6.377 -0.696 -7.812 1.00 0.52 C ATOM 1948 CE1 HIS B 66 6.516 -1.657 -9.750 1.00 0.63 C ATOM 1949 NE2 HIS B 66 5.697 -1.521 -8.703 1.00 0.57 N ATOM 1950 OXT HIS B 66 11.489 1.450 -9.462 1.00 0.68 O ATOM 0 H HIS B 66 11.148 -0.807 -6.687 1.00 0.48 H new ATOM 0 HA HIS B 66 9.959 -0.414 -9.343 1.00 0.54 H new ATOM 0 HB2 HIS B 66 8.708 0.488 -6.716 1.00 0.53 H new ATOM 0 HB3 HIS B 66 8.582 1.534 -8.116 1.00 0.53 H new ATOM 0 HD2 HIS B 66 6.002 -0.376 -6.851 1.00 0.52 H new ATOM 0 HE1 HIS B 66 6.285 -2.242 -10.628 1.00 0.63 H new ATOM 0 HE2 HIS B 66 4.772 -1.933 -8.583 1.00 0.57 H new TER 1958 HIS B 66