USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 72 TYR OH : rot 130:sc=-0.00751 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= -3.73! USER MOD Set 2.2: A 62 THR OG1 : rot -100:sc= 0.345 USER MOD Set 3.1: A 14 THR OG1 : rot 94:sc= 1.13 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 0 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.16) USER MOD Single : A 16 HIS : no HD1:sc= -1.68! K(o=-1.7!,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ -120:sc= 1.25 (180deg=-0.298) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 159:sc= -0.721 USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0263) USER MOD Single : A 34 THR OG1 : rot 67:sc= 0.803 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -130:sc= 0.547 (180deg=-0.993) USER MOD Single : A 45 ASN : amide:sc= -2.21 K(o=-2.2,f=-0.71) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -3.18! C(o=-3.2!,f=-11!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.175 K(o=-0.17,f=-6!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.275 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -13.2! C(o=-13!,f=-18!) USER MOD Single : A 86 SER OG : rot -63:sc= -0.0518 USER MOD Single : A 89 SER OG : rot -173:sc= 0.947 USER MOD Single : A 92 SER OG : rot -90:sc= -3.93! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00304 USER MOD Single : A 97 CYS SG : rot 66:sc= 0.274 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -24.941 -5.046 -6.481 1.00 2.05 N ATOM 2 CA SER A 0 -24.148 -4.237 -5.518 1.00 1.55 C ATOM 3 C SER A 0 -22.701 -4.718 -5.454 1.00 1.39 C ATOM 4 O SER A 0 -22.362 -5.588 -4.653 1.00 1.50 O ATOM 5 CB SER A 0 -24.800 -4.344 -4.138 1.00 2.08 C ATOM 6 OG SER A 0 -24.986 -3.064 -3.560 1.00 2.74 O ATOM 0 H1 SER A 0 -25.920 -4.697 -6.504 1.00 2.05 H new ATOM 0 H2 SER A 0 -24.522 -4.965 -7.430 1.00 2.05 H new ATOM 0 H3 SER A 0 -24.936 -6.043 -6.184 1.00 2.05 H new ATOM 0 HA SER A 0 -24.135 -3.199 -5.849 1.00 1.55 H new ATOM 0 HB2 SER A 0 -25.761 -4.850 -4.225 1.00 2.08 H new ATOM 0 HB3 SER A 0 -24.177 -4.954 -3.484 1.00 2.08 H new ATOM 0 HG SER A 0 -25.406 -3.160 -2.680 1.00 2.74 H new ATOM 12 N PRO A 1 -21.826 -4.156 -6.305 1.00 1.23 N ATOM 13 CA PRO A 1 -20.420 -4.522 -6.353 1.00 1.19 C ATOM 14 C PRO A 1 -19.556 -3.634 -5.466 1.00 1.24 C ATOM 15 O PRO A 1 -20.065 -2.886 -4.631 1.00 2.06 O ATOM 16 CB PRO A 1 -20.071 -4.307 -7.826 1.00 1.18 C ATOM 17 CG PRO A 1 -21.041 -3.276 -8.330 1.00 1.26 C ATOM 18 CD PRO A 1 -22.132 -3.117 -7.296 1.00 1.24 C ATOM 0 HA PRO A 1 -20.241 -5.535 -5.991 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.042 -3.964 -7.938 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.160 -5.236 -8.389 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -20.534 -2.326 -8.498 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -21.464 -3.585 -9.286 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.119 -2.122 -6.850 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.121 -3.258 -7.732 1.00 1.24 H new ATOM 26 N ILE A 2 -18.245 -3.722 -5.655 1.00 0.68 N ATOM 27 CA ILE A 2 -17.305 -2.928 -4.878 1.00 0.61 C ATOM 28 C ILE A 2 -16.065 -2.592 -5.699 1.00 0.57 C ATOM 29 O ILE A 2 -15.608 -3.397 -6.510 1.00 0.63 O ATOM 30 CB ILE A 2 -16.876 -3.662 -3.592 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.059 -2.723 -2.698 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.086 -4.918 -3.936 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.321 -3.422 -1.572 1.00 0.56 C ATOM 0 H ILE A 2 -17.809 -4.337 -6.342 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.818 -2.006 -4.604 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.767 -3.966 -3.043 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.336 -2.190 -3.315 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.726 -1.975 -2.270 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.790 -5.425 -3.017 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.706 -5.585 -4.535 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.196 -4.644 -4.502 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.768 -2.687 -0.988 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.038 -3.932 -0.929 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.626 -4.150 -1.990 1.00 0.56 H new ATOM 45 N ASP A 3 -15.526 -1.397 -5.486 1.00 0.55 N ATOM 46 CA ASP A 3 -14.338 -0.954 -6.208 1.00 0.54 C ATOM 47 C ASP A 3 -13.239 -0.528 -5.237 1.00 0.47 C ATOM 48 O ASP A 3 -13.432 0.390 -4.440 1.00 0.49 O ATOM 49 CB ASP A 3 -14.686 0.214 -7.136 1.00 0.61 C ATOM 50 CG ASP A 3 -15.720 -0.162 -8.179 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.925 -0.146 -7.852 1.00 1.64 O ATOM 52 OD2 ASP A 3 -15.324 -0.471 -9.323 1.00 2.00 O ATOM 0 H ASP A 3 -15.892 -0.717 -4.819 1.00 0.55 H new ATOM 0 HA ASP A 3 -13.973 -1.791 -6.803 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.061 1.047 -6.541 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.781 0.560 -7.635 1.00 0.61 H new ATOM 57 N PRO A 4 -12.064 -1.183 -5.286 1.00 0.44 N ATOM 58 CA PRO A 4 -10.947 -0.847 -4.400 1.00 0.41 C ATOM 59 C PRO A 4 -10.337 0.507 -4.750 1.00 0.38 C ATOM 60 O PRO A 4 -10.507 1.003 -5.864 1.00 0.43 O ATOM 61 CB PRO A 4 -9.945 -1.979 -4.641 1.00 0.45 C ATOM 62 CG PRO A 4 -10.244 -2.454 -6.021 1.00 0.50 C ATOM 63 CD PRO A 4 -11.730 -2.290 -6.201 1.00 0.50 C ATOM 0 HA PRO A 4 -11.254 -0.761 -3.358 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.918 -1.624 -4.557 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.067 -2.779 -3.911 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.694 -1.873 -6.762 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -9.948 -3.495 -6.149 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.986 -2.050 -7.233 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.269 -3.201 -5.943 1.00 0.50 H new ATOM 71 N PRO A 5 -9.621 1.126 -3.799 1.00 0.37 N ATOM 72 CA PRO A 5 -8.989 2.432 -4.009 1.00 0.39 C ATOM 73 C PRO A 5 -8.119 2.465 -5.262 1.00 0.38 C ATOM 74 O PRO A 5 -7.902 1.442 -5.911 1.00 0.47 O ATOM 75 CB PRO A 5 -8.134 2.640 -2.750 1.00 0.46 C ATOM 76 CG PRO A 5 -8.108 1.318 -2.058 1.00 0.71 C ATOM 77 CD PRO A 5 -9.371 0.612 -2.448 1.00 0.43 C ATOM 0 HA PRO A 5 -9.732 3.215 -4.160 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.127 2.966 -3.010 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.563 3.410 -2.108 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.233 0.741 -2.356 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -8.053 1.446 -0.977 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.248 -0.471 -2.443 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.191 0.843 -1.768 1.00 0.43 H new ATOM 85 N GLY A 6 -7.633 3.655 -5.595 1.00 0.37 N ATOM 86 CA GLY A 6 -6.795 3.825 -6.770 1.00 0.39 C ATOM 87 C GLY A 6 -5.419 3.207 -6.611 1.00 0.42 C ATOM 88 O GLY A 6 -4.999 2.888 -5.498 1.00 0.66 O ATOM 0 H GLY A 6 -7.805 4.512 -5.069 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.291 3.377 -7.631 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.687 4.889 -6.982 1.00 0.39 H new ATOM 92 N LYS A 7 -4.713 3.042 -7.728 1.00 0.41 N ATOM 93 CA LYS A 7 -3.374 2.465 -7.713 1.00 0.44 C ATOM 94 C LYS A 7 -2.455 3.271 -6.795 1.00 0.37 C ATOM 95 O LYS A 7 -2.306 4.479 -6.975 1.00 0.42 O ATOM 96 CB LYS A 7 -2.796 2.433 -9.130 1.00 0.54 C ATOM 97 CG LYS A 7 -1.350 1.971 -9.189 1.00 0.64 C ATOM 98 CD LYS A 7 -0.502 2.895 -10.048 1.00 1.01 C ATOM 99 CE LYS A 7 0.584 2.130 -10.786 1.00 0.95 C ATOM 100 NZ LYS A 7 0.867 2.716 -12.124 1.00 1.52 N ATOM 0 H LYS A 7 -5.049 3.301 -8.656 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.442 1.445 -7.334 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.405 1.772 -9.746 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.868 3.430 -9.565 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.939 1.932 -8.180 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.307 0.959 -9.591 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.138 3.410 -10.768 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.046 3.661 -9.420 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.496 2.130 -10.190 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.279 1.090 -10.903 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.613 2.165 -12.594 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.003 2.693 -12.703 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.183 3.701 -12.012 1.00 1.52 H new ATOM 114 N PRO A 8 -1.825 2.627 -5.793 1.00 0.34 N ATOM 115 CA PRO A 8 -0.928 3.318 -4.855 1.00 0.32 C ATOM 116 C PRO A 8 0.349 3.826 -5.525 1.00 0.33 C ATOM 117 O PRO A 8 0.995 3.103 -6.283 1.00 0.44 O ATOM 118 CB PRO A 8 -0.595 2.241 -3.809 1.00 0.39 C ATOM 119 CG PRO A 8 -1.616 1.172 -4.010 1.00 0.44 C ATOM 120 CD PRO A 8 -1.929 1.191 -5.478 1.00 0.41 C ATOM 0 HA PRO A 8 -1.397 4.208 -4.435 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.414 1.853 -3.950 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.642 2.646 -2.798 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.232 0.199 -3.703 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.509 1.365 -3.415 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.222 0.594 -6.054 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.924 0.798 -5.689 1.00 0.41 H new ATOM 128 N VAL A 9 0.705 5.077 -5.232 1.00 0.34 N ATOM 129 CA VAL A 9 1.905 5.692 -5.796 1.00 0.38 C ATOM 130 C VAL A 9 2.739 6.362 -4.700 1.00 0.34 C ATOM 131 O VAL A 9 2.272 7.293 -4.044 1.00 0.35 O ATOM 132 CB VAL A 9 1.546 6.747 -6.861 1.00 0.43 C ATOM 133 CG1 VAL A 9 0.790 7.906 -6.231 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.799 7.239 -7.568 1.00 0.53 C ATOM 0 H VAL A 9 0.177 5.685 -4.606 1.00 0.34 H new ATOM 0 HA VAL A 9 2.484 4.895 -6.263 1.00 0.38 H new ATOM 0 HB VAL A 9 0.897 6.282 -7.603 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.545 8.641 -6.998 1.00 1.09 H new ATOM 0 HG12 VAL A 9 -0.129 7.537 -5.776 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.411 8.373 -5.467 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.526 7.983 -8.316 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.475 7.687 -6.840 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.295 6.400 -8.055 1.00 0.53 H new ATOM 144 N PRO A 10 3.983 5.897 -4.475 1.00 0.34 N ATOM 145 CA PRO A 10 4.857 6.458 -3.443 1.00 0.32 C ATOM 146 C PRO A 10 5.314 7.879 -3.732 1.00 0.37 C ATOM 147 O PRO A 10 5.887 8.161 -4.784 1.00 0.64 O ATOM 148 CB PRO A 10 6.071 5.524 -3.415 1.00 0.38 C ATOM 149 CG PRO A 10 5.698 4.337 -4.236 1.00 0.39 C ATOM 150 CD PRO A 10 4.628 4.787 -5.189 1.00 0.42 C ATOM 0 HA PRO A 10 4.321 6.521 -2.496 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.953 6.018 -3.823 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.314 5.231 -2.394 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.563 3.955 -4.778 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.336 3.527 -3.603 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.048 5.111 -6.141 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.922 3.986 -5.408 1.00 0.42 H new ATOM 158 N LEU A 11 5.077 8.764 -2.770 1.00 0.34 N ATOM 159 CA LEU A 11 5.490 10.153 -2.889 1.00 0.43 C ATOM 160 C LEU A 11 6.928 10.272 -2.405 1.00 0.43 C ATOM 161 O LEU A 11 7.704 11.090 -2.898 1.00 0.57 O ATOM 162 CB LEU A 11 4.577 11.071 -2.067 1.00 0.56 C ATOM 163 CG LEU A 11 3.073 10.804 -2.200 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.704 10.475 -3.639 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.644 9.684 -1.265 1.00 1.12 C ATOM 0 H LEU A 11 4.599 8.541 -1.897 1.00 0.34 H new ATOM 0 HA LEU A 11 5.417 10.463 -3.931 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.852 10.980 -1.016 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.772 12.103 -2.359 1.00 0.56 H new ATOM 0 HG LEU A 11 2.541 11.712 -1.915 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.632 10.290 -3.706 1.00 1.64 H new ATOM 0 HD12 LEU A 11 2.969 11.313 -4.283 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.247 9.586 -3.960 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.574 9.509 -1.374 1.00 1.12 H new ATOM 0 HD22 LEU A 11 3.188 8.773 -1.515 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.863 9.966 -0.235 1.00 1.12 H new ATOM 177 N ASN A 12 7.270 9.423 -1.437 1.00 0.34 N ATOM 178 CA ASN A 12 8.609 9.385 -0.870 1.00 0.36 C ATOM 179 C ASN A 12 8.994 7.944 -0.575 1.00 0.37 C ATOM 180 O ASN A 12 8.143 7.131 -0.219 1.00 0.58 O ATOM 181 CB ASN A 12 8.686 10.217 0.410 1.00 0.42 C ATOM 182 CG ASN A 12 10.115 10.551 0.791 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.552 11.695 0.669 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.852 9.548 1.257 1.00 0.71 N ATOM 0 H ASN A 12 6.626 8.746 -1.028 1.00 0.34 H new ATOM 0 HA ASN A 12 9.305 9.810 -1.593 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.122 11.140 0.276 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.213 9.670 1.226 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.821 9.711 1.530 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.449 8.615 1.341 1.00 0.71 H new ATOM 191 N ILE A 13 10.267 7.621 -0.731 1.00 0.38 N ATOM 192 CA ILE A 13 10.727 6.267 -0.482 1.00 0.43 C ATOM 193 C ILE A 13 12.061 6.255 0.251 1.00 0.53 C ATOM 194 O ILE A 13 13.124 6.368 -0.359 1.00 0.75 O ATOM 195 CB ILE A 13 10.850 5.463 -1.791 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.625 6.265 -2.855 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.467 5.045 -2.286 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.791 7.252 -3.648 1.00 0.96 C ATOM 0 H ILE A 13 10.994 8.272 -1.026 1.00 0.38 H new ATOM 0 HA ILE A 13 9.977 5.794 0.151 1.00 0.43 H new ATOM 0 HB ILE A 13 11.420 4.555 -1.596 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.432 6.808 -2.363 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.089 5.565 -3.549 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.568 4.478 -3.211 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.982 4.425 -1.531 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.862 5.933 -2.469 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.425 7.766 -4.370 1.00 0.96 H new ATOM 0 HD12 ILE A 13 10.000 6.719 -4.175 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.348 7.981 -2.970 1.00 0.96 H new ATOM 210 N THR A 14 11.993 6.115 1.570 1.00 0.59 N ATOM 211 CA THR A 14 13.189 6.085 2.400 1.00 0.71 C ATOM 212 C THR A 14 13.763 4.675 2.472 1.00 0.79 C ATOM 213 O THR A 14 13.055 3.690 2.263 1.00 1.46 O ATOM 214 CB THR A 14 12.873 6.595 3.807 1.00 0.75 C ATOM 215 OG1 THR A 14 11.616 7.248 3.831 1.00 0.69 O ATOM 216 CG2 THR A 14 13.904 7.567 4.339 1.00 0.94 C ATOM 0 H THR A 14 11.119 6.020 2.088 1.00 0.59 H new ATOM 0 HA THR A 14 13.934 6.738 1.946 1.00 0.71 H new ATOM 0 HB THR A 14 12.872 5.709 4.442 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.920 6.608 4.089 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.618 7.889 5.340 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.878 7.079 4.379 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.960 8.434 3.681 1.00 0.94 H new ATOM 224 N ARG A 15 15.054 4.590 2.766 1.00 0.66 N ATOM 225 CA ARG A 15 15.739 3.302 2.862 1.00 0.67 C ATOM 226 C ARG A 15 14.994 2.322 3.769 1.00 0.71 C ATOM 227 O ARG A 15 15.180 1.110 3.659 1.00 1.19 O ATOM 228 CB ARG A 15 17.179 3.475 3.364 1.00 0.80 C ATOM 229 CG ARG A 15 17.395 4.688 4.253 1.00 0.96 C ATOM 230 CD ARG A 15 16.352 4.774 5.356 1.00 1.13 C ATOM 231 NE ARG A 15 16.773 5.658 6.439 1.00 1.43 N ATOM 232 CZ ARG A 15 17.651 5.311 7.373 1.00 1.67 C ATOM 233 NH1 ARG A 15 18.196 4.103 7.357 1.00 2.42 N ATOM 234 NH2 ARG A 15 17.982 6.171 8.325 1.00 1.90 N ATOM 0 H ARG A 15 15.651 5.398 2.943 1.00 0.66 H new ATOM 0 HA ARG A 15 15.760 2.886 1.855 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.468 2.580 3.915 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.844 3.548 2.503 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.390 4.641 4.696 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.359 5.593 3.647 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.412 5.134 4.939 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.163 3.777 5.754 1.00 1.13 H new ATOM 0 HE ARG A 15 16.370 6.594 6.481 1.00 1.43 H new ATOM 0 HH11 ARG A 15 17.941 3.438 6.627 1.00 2.42 H new ATOM 0 HH12 ARG A 15 18.870 3.838 8.075 1.00 2.42 H new ATOM 0 HH21 ARG A 15 17.562 7.101 8.341 1.00 1.90 H new ATOM 0 HH22 ARG A 15 18.656 5.904 9.042 1.00 1.90 H new ATOM 248 N HIS A 16 14.159 2.839 4.668 1.00 0.50 N ATOM 249 CA HIS A 16 13.412 1.976 5.582 1.00 0.54 C ATOM 250 C HIS A 16 11.970 2.444 5.771 1.00 0.57 C ATOM 251 O HIS A 16 11.276 1.968 6.669 1.00 0.97 O ATOM 252 CB HIS A 16 14.110 1.920 6.940 1.00 0.67 C ATOM 253 CG HIS A 16 14.955 0.701 7.130 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.581 -0.380 7.898 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.180 0.400 6.633 1.00 0.78 C ATOM 256 CE1 HIS A 16 15.570 -1.283 7.846 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.564 -0.857 7.090 1.00 0.86 N ATOM 0 H HIS A 16 13.984 3.837 4.783 1.00 0.50 H new ATOM 0 HA HIS A 16 13.384 0.983 5.134 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.734 2.806 7.055 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.357 1.956 7.728 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.765 1.035 5.985 1.00 0.78 H new ATOM 0 HE1 HIS A 16 15.555 -2.235 8.356 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.434 -1.348 6.883 1.00 0.86 H new ATOM 265 N THR A 17 11.515 3.369 4.934 1.00 0.43 N ATOM 266 CA THR A 17 10.150 3.871 5.043 1.00 0.42 C ATOM 267 C THR A 17 9.649 4.407 3.709 1.00 0.38 C ATOM 268 O THR A 17 10.052 5.481 3.268 1.00 0.56 O ATOM 269 CB THR A 17 10.062 4.964 6.107 1.00 0.56 C ATOM 270 OG1 THR A 17 11.325 5.569 6.311 1.00 0.65 O ATOM 271 CG2 THR A 17 9.574 4.454 7.447 1.00 0.68 C ATOM 0 H THR A 17 12.064 3.783 4.180 1.00 0.43 H new ATOM 0 HA THR A 17 9.515 3.035 5.337 1.00 0.42 H new ATOM 0 HB THR A 17 9.339 5.684 5.724 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.247 6.267 6.994 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.534 5.279 8.158 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.578 4.025 7.333 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.258 3.690 7.816 1.00 0.68 H new ATOM 279 N VAL A 18 8.761 3.650 3.077 1.00 0.27 N ATOM 280 CA VAL A 18 8.197 4.044 1.796 1.00 0.33 C ATOM 281 C VAL A 18 6.802 4.638 1.982 1.00 0.32 C ATOM 282 O VAL A 18 5.884 3.966 2.451 1.00 0.51 O ATOM 283 CB VAL A 18 8.138 2.847 0.831 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.510 3.247 -0.492 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.534 2.279 0.612 1.00 0.46 C ATOM 0 H VAL A 18 8.416 2.758 3.433 1.00 0.27 H new ATOM 0 HA VAL A 18 8.847 4.805 1.363 1.00 0.33 H new ATOM 0 HB VAL A 18 7.513 2.075 1.279 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.480 2.383 -1.156 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.496 3.607 -0.319 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.103 4.038 -0.952 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.479 1.433 -0.073 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.177 3.049 0.186 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.946 1.948 1.565 1.00 0.46 H new ATOM 295 N THR A 19 6.662 5.911 1.622 1.00 0.27 N ATOM 296 CA THR A 19 5.395 6.627 1.753 1.00 0.24 C ATOM 297 C THR A 19 4.631 6.666 0.431 1.00 0.22 C ATOM 298 O THR A 19 5.163 7.128 -0.582 1.00 0.34 O ATOM 299 CB THR A 19 5.672 8.058 2.231 1.00 0.28 C ATOM 300 OG1 THR A 19 6.095 8.062 3.583 1.00 0.35 O ATOM 301 CG2 THR A 19 4.475 8.983 2.121 1.00 0.32 C ATOM 0 H THR A 19 7.419 6.473 1.233 1.00 0.27 H new ATOM 0 HA THR A 19 4.777 6.099 2.479 1.00 0.24 H new ATOM 0 HB THR A 19 6.453 8.430 1.568 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.268 8.983 3.869 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.749 9.976 2.478 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.158 9.046 1.080 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.657 8.593 2.726 1.00 0.32 H new ATOM 309 N LEU A 20 3.379 6.199 0.450 1.00 0.28 N ATOM 310 CA LEU A 20 2.554 6.204 -0.749 1.00 0.26 C ATOM 311 C LEU A 20 1.115 6.601 -0.454 1.00 0.28 C ATOM 312 O LEU A 20 0.606 6.428 0.660 1.00 0.40 O ATOM 313 CB LEU A 20 2.567 4.844 -1.467 1.00 0.33 C ATOM 314 CG LEU A 20 2.908 3.623 -0.613 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.341 3.703 -0.130 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.950 3.487 0.558 1.00 0.52 C ATOM 0 H LEU A 20 2.923 5.817 1.278 1.00 0.28 H new ATOM 0 HA LEU A 20 2.996 6.952 -1.407 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.585 4.685 -1.913 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.284 4.898 -2.286 1.00 0.33 H new ATOM 0 HG LEU A 20 2.800 2.733 -1.233 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.570 2.827 0.477 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.013 3.736 -0.988 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.473 4.604 0.469 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.218 2.610 1.147 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.012 4.377 1.184 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.932 3.376 0.184 1.00 0.52 H new ATOM 328 N LYS A 21 0.470 7.126 -1.486 1.00 0.25 N ATOM 329 CA LYS A 21 -0.918 7.555 -1.410 1.00 0.31 C ATOM 330 C LYS A 21 -1.661 7.070 -2.656 1.00 0.31 C ATOM 331 O LYS A 21 -1.036 6.668 -3.637 1.00 0.51 O ATOM 332 CB LYS A 21 -1.010 9.085 -1.244 1.00 0.40 C ATOM 333 CG LYS A 21 -1.175 9.864 -2.543 1.00 0.81 C ATOM 334 CD LYS A 21 -2.603 9.782 -3.050 1.00 0.95 C ATOM 335 CE LYS A 21 -3.064 11.101 -3.645 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.507 11.073 -4.006 1.00 1.84 N ATOM 0 H LYS A 21 0.896 7.267 -2.402 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.391 7.115 -0.532 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.852 9.315 -0.591 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.110 9.436 -0.739 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.902 10.907 -2.383 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -0.495 9.469 -3.297 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.677 8.997 -3.803 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.265 9.501 -2.231 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -2.884 11.904 -2.930 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -2.472 11.325 -4.532 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.613 11.249 -5.026 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.905 10.141 -3.772 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -5.012 11.809 -3.473 1.00 1.84 H new ATOM 350 N TRP A 22 -2.987 7.089 -2.613 1.00 0.25 N ATOM 351 CA TRP A 22 -3.775 6.625 -3.746 1.00 0.24 C ATOM 352 C TRP A 22 -5.020 7.476 -3.966 1.00 0.24 C ATOM 353 O TRP A 22 -5.230 8.482 -3.292 1.00 0.40 O ATOM 354 CB TRP A 22 -4.179 5.175 -3.514 1.00 0.27 C ATOM 355 CG TRP A 22 -4.676 4.925 -2.127 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.972 4.764 -1.742 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.885 4.813 -0.939 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.036 4.557 -0.388 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.770 4.583 0.127 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.516 4.884 -0.672 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.333 4.426 1.436 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.081 4.726 0.631 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.989 4.500 1.672 1.00 0.32 C ATOM 0 H TRP A 22 -3.533 7.416 -1.816 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.159 6.710 -4.641 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.956 4.901 -4.228 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.323 4.529 -3.710 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.824 4.795 -2.405 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.891 4.408 0.148 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.809 5.059 -1.470 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.032 4.251 2.240 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.024 4.778 0.849 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.621 4.382 2.680 1.00 0.32 H new ATOM 374 N ALA A 23 -5.843 7.053 -4.921 1.00 0.31 N ATOM 375 CA ALA A 23 -7.073 7.759 -5.247 1.00 0.33 C ATOM 376 C ALA A 23 -8.278 7.068 -4.622 1.00 0.36 C ATOM 377 O ALA A 23 -8.468 5.866 -4.783 1.00 0.83 O ATOM 378 CB ALA A 23 -7.240 7.845 -6.757 1.00 0.36 C ATOM 0 H ALA A 23 -5.677 6.219 -5.485 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.009 8.767 -4.838 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.163 8.375 -6.991 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.394 8.382 -7.187 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.282 6.840 -7.176 1.00 0.36 H new ATOM 384 N LYS A 24 -9.092 7.832 -3.908 1.00 0.59 N ATOM 385 CA LYS A 24 -10.276 7.277 -3.265 1.00 0.61 C ATOM 386 C LYS A 24 -11.213 6.654 -4.298 1.00 0.59 C ATOM 387 O LYS A 24 -11.306 7.127 -5.429 1.00 0.69 O ATOM 388 CB LYS A 24 -11.016 8.360 -2.483 1.00 0.74 C ATOM 389 CG LYS A 24 -11.505 9.508 -3.350 1.00 1.21 C ATOM 390 CD LYS A 24 -12.837 9.183 -4.008 1.00 1.22 C ATOM 391 CE LYS A 24 -13.691 10.428 -4.180 1.00 1.55 C ATOM 392 NZ LYS A 24 -13.086 11.382 -5.149 1.00 2.11 N ATOM 0 H LYS A 24 -8.956 8.832 -3.759 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.950 6.499 -2.575 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.869 7.911 -1.974 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.356 8.754 -1.711 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.609 10.406 -2.741 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -10.763 9.727 -4.118 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -12.661 8.724 -4.981 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.374 8.453 -3.403 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.685 10.142 -4.523 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.816 10.920 -3.215 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -13.697 12.219 -5.240 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -12.148 11.674 -4.809 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -12.990 10.921 -6.076 1.00 2.11 H new ATOM 406 N PRO A 25 -11.919 5.575 -3.919 1.00 0.56 N ATOM 407 CA PRO A 25 -12.851 4.887 -4.817 1.00 0.63 C ATOM 408 C PRO A 25 -13.865 5.834 -5.450 1.00 0.75 C ATOM 409 O PRO A 25 -13.950 7.005 -5.084 1.00 0.89 O ATOM 410 CB PRO A 25 -13.558 3.889 -3.901 1.00 0.63 C ATOM 411 CG PRO A 25 -12.597 3.645 -2.790 1.00 0.71 C ATOM 412 CD PRO A 25 -11.857 4.939 -2.591 1.00 0.58 C ATOM 0 HA PRO A 25 -12.332 4.426 -5.658 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.499 4.293 -3.528 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.794 2.966 -4.430 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.119 3.350 -1.880 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.910 2.837 -3.039 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.327 5.558 -1.827 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.828 4.769 -2.274 1.00 0.58 H new ATOM 420 N GLU A 26 -14.630 5.320 -6.410 1.00 0.85 N ATOM 421 CA GLU A 26 -15.632 6.126 -7.101 1.00 1.05 C ATOM 422 C GLU A 26 -17.036 5.526 -6.984 1.00 0.95 C ATOM 423 O GLU A 26 -18.028 6.221 -7.203 1.00 1.12 O ATOM 424 CB GLU A 26 -15.254 6.282 -8.575 1.00 1.29 C ATOM 425 CG GLU A 26 -13.757 6.411 -8.807 1.00 1.83 C ATOM 426 CD GLU A 26 -13.427 7.069 -10.131 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.155 6.822 -11.116 1.00 2.53 O ATOM 428 OE2 GLU A 26 -12.440 7.831 -10.185 1.00 2.77 O ATOM 0 H GLU A 26 -14.575 4.352 -6.726 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.651 7.104 -6.620 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.627 5.421 -9.130 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.753 7.163 -8.979 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.316 6.992 -7.997 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.301 5.421 -8.774 1.00 1.83 H new ATOM 435 N TYR A 27 -17.124 4.242 -6.643 1.00 0.85 N ATOM 436 CA TYR A 27 -18.424 3.585 -6.511 1.00 0.84 C ATOM 437 C TYR A 27 -18.568 2.892 -5.159 1.00 0.86 C ATOM 438 O TYR A 27 -19.331 3.342 -4.304 1.00 1.37 O ATOM 439 CB TYR A 27 -18.634 2.573 -7.641 1.00 0.86 C ATOM 440 CG TYR A 27 -20.088 2.232 -7.881 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.962 3.176 -8.407 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.589 0.970 -7.581 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.293 2.871 -8.626 1.00 1.28 C ATOM 444 CE2 TYR A 27 -21.918 0.659 -7.798 1.00 1.04 C ATOM 445 CZ TYR A 27 -22.766 1.612 -8.322 1.00 1.19 C ATOM 446 OH TYR A 27 -24.091 1.305 -8.539 1.00 1.35 O ATOM 0 H TYR A 27 -16.321 3.641 -6.455 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.188 4.359 -6.578 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.206 2.972 -8.560 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.088 1.659 -7.406 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.596 4.163 -8.648 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -19.928 0.220 -7.171 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -22.960 3.616 -9.034 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.291 -0.326 -7.558 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.260 0.377 -8.273 1.00 1.35 H new ATOM 456 N THR A 28 -17.838 1.798 -4.969 1.00 0.65 N ATOM 457 CA THR A 28 -17.899 1.051 -3.716 1.00 0.61 C ATOM 458 C THR A 28 -19.328 0.634 -3.399 1.00 0.66 C ATOM 459 O THR A 28 -19.796 0.811 -2.276 1.00 0.81 O ATOM 460 CB THR A 28 -17.344 1.891 -2.568 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.288 2.865 -2.157 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.062 2.609 -2.921 1.00 0.79 C ATOM 0 H THR A 28 -17.199 1.409 -5.663 1.00 0.65 H new ATOM 0 HA THR A 28 -17.291 0.154 -3.832 1.00 0.61 H new ATOM 0 HB THR A 28 -17.135 1.184 -1.765 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.079 3.159 -1.246 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.721 3.188 -2.063 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.299 1.879 -3.193 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.240 3.279 -3.762 1.00 0.79 H new ATOM 470 N GLY A 29 -20.019 0.080 -4.394 1.00 0.75 N ATOM 471 CA GLY A 29 -21.393 -0.356 -4.197 1.00 0.80 C ATOM 472 C GLY A 29 -22.233 0.679 -3.467 1.00 0.85 C ATOM 473 O GLY A 29 -22.812 1.572 -4.086 1.00 1.01 O ATOM 0 H GLY A 29 -19.652 -0.075 -5.333 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.846 -0.569 -5.165 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.398 -1.288 -3.631 1.00 0.80 H new ATOM 477 N GLY A 30 -22.285 0.559 -2.144 1.00 0.83 N ATOM 478 CA GLY A 30 -23.038 1.491 -1.329 1.00 0.89 C ATOM 479 C GLY A 30 -22.343 1.689 -0.005 1.00 0.85 C ATOM 480 O GLY A 30 -22.977 1.780 1.046 1.00 0.98 O ATOM 0 H GLY A 30 -21.813 -0.177 -1.618 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.134 2.446 -1.846 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.048 1.113 -1.167 1.00 0.89 H new ATOM 484 N PHE A 31 -21.018 1.722 -0.074 1.00 0.73 N ATOM 485 CA PHE A 31 -20.177 1.871 1.103 1.00 0.69 C ATOM 486 C PHE A 31 -19.206 3.040 0.939 1.00 0.67 C ATOM 487 O PHE A 31 -19.208 3.720 -0.086 1.00 0.74 O ATOM 488 CB PHE A 31 -19.393 0.571 1.339 1.00 0.63 C ATOM 489 CG PHE A 31 -19.973 -0.646 0.658 1.00 0.67 C ATOM 490 CD1 PHE A 31 -21.084 -1.280 1.183 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.406 -1.148 -0.505 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.623 -2.393 0.565 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.942 -2.260 -1.129 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.051 -2.884 -0.592 1.00 0.83 C ATOM 0 H PHE A 31 -20.498 1.646 -0.948 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.815 2.078 1.962 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.369 0.712 0.992 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.343 0.382 2.411 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.536 -0.901 2.087 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.537 -0.665 -0.927 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.491 -2.878 0.987 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.494 -2.640 -2.035 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.470 -3.754 -1.076 1.00 0.83 H new ATOM 504 N LYS A 32 -18.374 3.268 1.956 1.00 0.68 N ATOM 505 CA LYS A 32 -17.396 4.356 1.915 1.00 0.72 C ATOM 506 C LYS A 32 -16.003 3.904 2.371 1.00 0.66 C ATOM 507 O LYS A 32 -15.064 4.701 2.375 1.00 0.74 O ATOM 508 CB LYS A 32 -17.868 5.529 2.781 1.00 0.86 C ATOM 509 CG LYS A 32 -17.925 5.212 4.268 1.00 1.38 C ATOM 510 CD LYS A 32 -16.618 5.556 4.968 1.00 1.38 C ATOM 511 CE LYS A 32 -16.666 6.938 5.602 1.00 1.50 C ATOM 512 NZ LYS A 32 -17.488 6.955 6.843 1.00 2.26 N ATOM 0 H LYS A 32 -18.357 2.717 2.814 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.317 4.674 0.876 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -17.199 6.375 2.625 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.858 5.839 2.447 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.741 5.769 4.728 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -18.144 4.153 4.406 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.409 4.811 5.735 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -15.799 5.513 4.250 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.653 7.266 5.834 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -17.075 7.651 4.886 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -17.372 7.870 7.324 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -18.489 6.817 6.598 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -17.178 6.190 7.475 1.00 2.26 H new ATOM 526 N ILE A 33 -15.866 2.635 2.754 1.00 0.67 N ATOM 527 CA ILE A 33 -14.582 2.109 3.209 1.00 0.66 C ATOM 528 C ILE A 33 -14.107 2.838 4.462 1.00 0.80 C ATOM 529 O ILE A 33 -14.121 4.068 4.519 1.00 1.71 O ATOM 530 CB ILE A 33 -13.498 2.222 2.116 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.943 1.493 0.847 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.175 1.662 2.623 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.857 1.374 -0.200 1.00 0.91 C ATOM 0 H ILE A 33 -16.626 1.955 2.758 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.737 1.055 3.438 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.355 3.275 1.873 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.288 0.494 1.115 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.795 2.020 0.416 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.420 1.748 1.842 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.855 2.223 3.501 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.302 0.613 2.890 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.247 0.846 -1.070 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.527 2.370 -0.497 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.013 0.821 0.212 1.00 0.91 H new ATOM 545 N THR A 34 -13.688 2.074 5.466 1.00 0.72 N ATOM 546 CA THR A 34 -13.212 2.651 6.719 1.00 0.73 C ATOM 547 C THR A 34 -11.847 2.085 7.104 1.00 0.59 C ATOM 548 O THR A 34 -11.584 1.819 8.276 1.00 0.76 O ATOM 549 CB THR A 34 -14.223 2.392 7.837 1.00 0.99 C ATOM 550 OG1 THR A 34 -14.063 1.088 8.366 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.660 2.534 7.384 1.00 1.15 C ATOM 0 H THR A 34 -13.668 1.055 5.437 1.00 0.72 H new ATOM 0 HA THR A 34 -13.105 3.726 6.576 1.00 0.73 H new ATOM 0 HB THR A 34 -14.021 3.150 8.594 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.202 1.027 8.831 1.00 1.09 H new ATOM 0 HG21 THR A 34 -16.327 2.338 8.223 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.827 3.546 7.017 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.862 1.820 6.585 1.00 1.15 H new ATOM 559 N SER A 35 -10.985 1.908 6.108 1.00 0.49 N ATOM 560 CA SER A 35 -9.643 1.379 6.331 1.00 0.47 C ATOM 561 C SER A 35 -8.947 1.105 5.006 1.00 0.45 C ATOM 562 O SER A 35 -9.539 0.531 4.094 1.00 0.72 O ATOM 563 CB SER A 35 -9.703 0.090 7.150 1.00 0.64 C ATOM 564 OG SER A 35 -8.439 -0.550 7.184 1.00 1.58 O ATOM 0 H SER A 35 -11.193 2.124 5.133 1.00 0.49 H new ATOM 0 HA SER A 35 -9.075 2.128 6.883 1.00 0.47 H new ATOM 0 HB2 SER A 35 -10.028 0.315 8.166 1.00 0.64 H new ATOM 0 HB3 SER A 35 -10.444 -0.584 6.720 1.00 0.64 H new ATOM 0 HG SER A 35 -8.502 -1.371 7.715 1.00 1.58 H new ATOM 570 N TYR A 36 -7.688 1.519 4.901 1.00 0.27 N ATOM 571 CA TYR A 36 -6.924 1.314 3.682 1.00 0.28 C ATOM 572 C TYR A 36 -5.645 0.534 3.955 1.00 0.33 C ATOM 573 O TYR A 36 -4.576 1.120 4.121 1.00 0.68 O ATOM 574 CB TYR A 36 -6.590 2.655 3.040 1.00 0.29 C ATOM 575 CG TYR A 36 -7.803 3.479 2.680 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.868 2.918 1.987 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.887 4.818 3.037 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.981 3.669 1.659 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.996 5.577 2.713 1.00 0.67 C ATOM 580 CZ TYR A 36 -10.040 4.997 2.023 1.00 0.60 C ATOM 581 OH TYR A 36 -11.147 5.747 1.699 1.00 0.76 O ATOM 0 H TYR A 36 -7.179 1.997 5.645 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.537 0.729 2.996 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.963 3.228 3.723 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -6.002 2.479 2.139 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.826 1.878 1.700 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.071 5.275 3.578 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.801 3.217 1.120 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -9.045 6.617 2.998 1.00 0.67 H new ATOM 0 HH TYR A 36 -11.030 6.662 2.029 1.00 0.76 H new ATOM 591 N ILE A 37 -5.756 -0.790 3.994 1.00 0.24 N ATOM 592 CA ILE A 37 -4.597 -1.636 4.239 1.00 0.26 C ATOM 593 C ILE A 37 -3.714 -1.696 3.004 1.00 0.33 C ATOM 594 O ILE A 37 -4.149 -1.359 1.901 1.00 0.70 O ATOM 595 CB ILE A 37 -4.989 -3.074 4.631 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.256 -3.081 5.488 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.839 -3.745 5.370 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.425 -3.781 4.826 1.00 1.14 C ATOM 0 H ILE A 37 -6.631 -1.296 3.860 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.058 -1.187 5.073 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.198 -3.635 3.720 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.040 -3.569 6.438 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.538 -2.053 5.715 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.125 -4.761 5.643 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.961 -3.776 4.725 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.606 -3.179 6.272 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.290 -3.749 5.488 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.666 -3.279 3.889 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.161 -4.819 4.624 1.00 1.14 H new ATOM 610 N VAL A 38 -2.475 -2.125 3.191 1.00 0.36 N ATOM 611 CA VAL A 38 -1.536 -2.227 2.086 1.00 0.42 C ATOM 612 C VAL A 38 -0.524 -3.341 2.346 1.00 0.35 C ATOM 613 O VAL A 38 0.131 -3.374 3.388 1.00 0.48 O ATOM 614 CB VAL A 38 -0.826 -0.863 1.833 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.544 -0.158 3.149 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.455 -1.002 1.008 1.00 0.51 C ATOM 0 H VAL A 38 -2.098 -2.407 4.096 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.091 -2.481 1.183 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.512 -0.256 1.242 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.048 0.793 2.953 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.482 0.023 3.673 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.101 -0.784 3.766 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.904 -0.019 0.865 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.158 -1.649 1.533 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.217 -1.437 0.037 1.00 0.51 H new ATOM 626 N GLU A 39 -0.408 -4.253 1.384 1.00 0.30 N ATOM 627 CA GLU A 39 0.515 -5.374 1.499 1.00 0.33 C ATOM 628 C GLU A 39 1.852 -5.047 0.849 1.00 0.32 C ATOM 629 O GLU A 39 1.905 -4.461 -0.232 1.00 0.43 O ATOM 630 CB GLU A 39 -0.085 -6.627 0.856 1.00 0.42 C ATOM 631 CG GLU A 39 -1.532 -6.875 1.246 1.00 0.51 C ATOM 632 CD GLU A 39 -1.808 -8.331 1.569 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.307 -9.209 0.835 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.527 -8.593 2.556 1.00 1.52 O ATOM 0 H GLU A 39 -0.943 -4.236 0.516 1.00 0.30 H new ATOM 0 HA GLU A 39 0.684 -5.564 2.559 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.020 -6.536 -0.228 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.513 -7.493 1.140 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.781 -6.261 2.111 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.183 -6.558 0.432 1.00 0.51 H new ATOM 641 N LYS A 40 2.932 -5.430 1.520 1.00 0.28 N ATOM 642 CA LYS A 40 4.273 -5.180 1.013 1.00 0.31 C ATOM 643 C LYS A 40 4.912 -6.468 0.514 1.00 0.29 C ATOM 644 O LYS A 40 4.744 -7.530 1.113 1.00 0.35 O ATOM 645 CB LYS A 40 5.150 -4.557 2.100 1.00 0.43 C ATOM 646 CG LYS A 40 4.876 -5.098 3.495 1.00 0.92 C ATOM 647 CD LYS A 40 6.103 -4.977 4.384 1.00 1.14 C ATOM 648 CE LYS A 40 6.511 -6.320 4.963 1.00 1.65 C ATOM 649 NZ LYS A 40 7.939 -6.634 4.682 1.00 1.97 N ATOM 0 H LYS A 40 2.904 -5.915 2.417 1.00 0.28 H new ATOM 0 HA LYS A 40 4.191 -4.483 0.179 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.197 -4.730 1.852 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.997 -3.478 2.103 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.045 -4.553 3.942 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.573 -6.143 3.429 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.930 -4.562 3.808 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.897 -4.278 5.195 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.345 -6.317 6.040 1.00 1.65 H new ATOM 0 HE3 LYS A 40 5.878 -7.103 4.545 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.012 -7.591 4.282 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.319 -5.945 4.002 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 8.486 -6.585 5.565 1.00 1.97 H new ATOM 663 N ARG A 41 5.650 -6.367 -0.585 1.00 0.36 N ATOM 664 CA ARG A 41 6.319 -7.524 -1.159 1.00 0.40 C ATOM 665 C ARG A 41 7.827 -7.407 -0.999 1.00 0.41 C ATOM 666 O ARG A 41 8.452 -6.496 -1.545 1.00 0.43 O ATOM 667 CB ARG A 41 5.966 -7.675 -2.639 1.00 0.46 C ATOM 668 CG ARG A 41 6.482 -8.962 -3.259 1.00 0.58 C ATOM 669 CD ARG A 41 5.354 -9.762 -3.888 1.00 0.88 C ATOM 670 NE ARG A 41 5.015 -9.274 -5.220 1.00 0.95 N ATOM 671 CZ ARG A 41 4.200 -9.915 -6.051 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.647 -11.063 -5.685 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.937 -9.409 -7.248 1.00 1.44 N ATOM 0 H ARG A 41 5.799 -5.496 -1.095 1.00 0.36 H new ATOM 0 HA ARG A 41 5.975 -8.409 -0.624 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.882 -7.636 -2.751 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.374 -6.827 -3.190 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.231 -8.729 -4.015 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.976 -9.563 -2.496 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.644 -10.811 -3.949 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.473 -9.711 -3.248 1.00 0.88 H new ATOM 0 HE ARG A 41 5.426 -8.393 -5.530 1.00 0.95 H new ATOM 0 HH11 ARG A 41 3.847 -11.455 -4.765 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.022 -11.554 -6.324 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.361 -8.526 -7.533 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.311 -9.903 -7.884 1.00 1.44 H new ATOM 687 N ASP A 42 8.402 -8.336 -0.245 1.00 0.50 N ATOM 688 CA ASP A 42 9.837 -8.345 -0.010 1.00 0.57 C ATOM 689 C ASP A 42 10.547 -9.059 -1.150 1.00 0.62 C ATOM 690 O ASP A 42 10.789 -10.263 -1.089 1.00 0.91 O ATOM 691 CB ASP A 42 10.170 -9.033 1.319 1.00 0.71 C ATOM 692 CG ASP A 42 9.093 -8.843 2.373 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.918 -9.158 2.088 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.426 -8.381 3.484 1.00 1.59 O ATOM 0 H ASP A 42 7.894 -9.093 0.214 1.00 0.50 H new ATOM 0 HA ASP A 42 10.180 -7.312 0.040 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.315 -10.099 1.143 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.114 -8.641 1.698 1.00 0.71 H new ATOM 699 N LEU A 43 10.871 -8.306 -2.191 1.00 0.63 N ATOM 700 CA LEU A 43 11.546 -8.861 -3.356 1.00 0.68 C ATOM 701 C LEU A 43 13.021 -9.123 -3.063 1.00 0.81 C ATOM 702 O LEU A 43 13.607 -8.486 -2.188 1.00 0.90 O ATOM 703 CB LEU A 43 11.403 -7.907 -4.541 1.00 0.62 C ATOM 704 CG LEU A 43 10.005 -7.314 -4.724 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.083 -5.980 -5.444 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.109 -8.277 -5.483 1.00 0.70 C ATOM 0 H LEU A 43 10.677 -7.307 -2.253 1.00 0.63 H new ATOM 0 HA LEU A 43 11.078 -9.814 -3.603 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.115 -7.091 -4.420 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.679 -8.438 -5.452 1.00 0.62 H new ATOM 0 HG LEU A 43 9.572 -7.149 -3.738 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.079 -5.573 -5.565 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.688 -5.286 -4.860 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.538 -6.122 -6.424 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.119 -7.836 -5.602 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.538 -8.476 -6.465 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.025 -9.211 -4.927 1.00 0.70 H new ATOM 718 N PRO A 44 13.646 -10.076 -3.786 1.00 0.92 N ATOM 719 CA PRO A 44 12.995 -10.862 -4.835 1.00 0.99 C ATOM 720 C PRO A 44 12.345 -12.141 -4.308 1.00 1.15 C ATOM 721 O PRO A 44 12.318 -13.161 -4.997 1.00 1.43 O ATOM 722 CB PRO A 44 14.164 -11.197 -5.752 1.00 1.15 C ATOM 723 CG PRO A 44 15.328 -11.348 -4.828 1.00 1.25 C ATOM 724 CD PRO A 44 15.062 -10.456 -3.636 1.00 1.08 C ATOM 0 HA PRO A 44 12.177 -10.322 -5.312 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.980 -12.114 -6.312 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.336 -10.406 -6.482 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.441 -12.386 -4.516 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.255 -11.062 -5.325 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.237 -10.981 -2.697 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.713 -9.582 -3.638 1.00 1.08 H new ATOM 732 N ASN A 45 11.821 -12.086 -3.085 1.00 1.14 N ATOM 733 CA ASN A 45 11.175 -13.249 -2.481 1.00 1.33 C ATOM 734 C ASN A 45 10.156 -12.830 -1.422 1.00 1.43 C ATOM 735 O ASN A 45 10.314 -13.137 -0.241 1.00 2.42 O ATOM 736 CB ASN A 45 12.223 -14.173 -1.856 1.00 1.66 C ATOM 737 CG ASN A 45 13.233 -13.416 -1.016 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.155 -13.410 0.213 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.188 -12.773 -1.677 1.00 1.89 N ATOM 0 H ASN A 45 11.831 -11.253 -2.496 1.00 1.14 H new ATOM 0 HA ASN A 45 10.647 -13.784 -3.270 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.724 -14.917 -1.236 1.00 1.66 H new ATOM 0 HB3 ASN A 45 12.744 -14.714 -2.646 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.896 -12.246 -1.166 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.214 -12.806 -2.696 1.00 1.89 H new ATOM 746 N GLY A 46 9.110 -12.132 -1.853 1.00 0.90 N ATOM 747 CA GLY A 46 8.081 -11.685 -0.931 1.00 1.12 C ATOM 748 C GLY A 46 6.791 -12.471 -1.077 1.00 0.76 C ATOM 749 O GLY A 46 6.781 -13.552 -1.666 1.00 0.96 O ATOM 0 H GLY A 46 8.956 -11.867 -2.826 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.447 -11.780 0.091 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.880 -10.627 -1.101 1.00 1.12 H new ATOM 753 N ARG A 47 5.699 -11.930 -0.540 1.00 0.80 N ATOM 754 CA ARG A 47 4.402 -12.597 -0.619 1.00 0.76 C ATOM 755 C ARG A 47 3.270 -11.690 -0.135 1.00 0.85 C ATOM 756 O ARG A 47 2.262 -12.172 0.381 1.00 1.71 O ATOM 757 CB ARG A 47 4.424 -13.887 0.206 1.00 0.99 C ATOM 758 CG ARG A 47 5.269 -13.792 1.466 1.00 1.31 C ATOM 759 CD ARG A 47 4.693 -12.784 2.446 1.00 1.11 C ATOM 760 NE ARG A 47 5.045 -13.097 3.829 1.00 1.41 N ATOM 761 CZ ARG A 47 4.611 -14.176 4.474 1.00 1.71 C ATOM 762 NH1 ARG A 47 3.815 -15.041 3.861 1.00 2.41 N ATOM 763 NH2 ARG A 47 4.975 -14.390 5.730 1.00 2.03 N ATOM 0 H ARG A 47 5.686 -11.037 -0.048 1.00 0.80 H new ATOM 0 HA ARG A 47 4.215 -12.836 -1.666 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.403 -14.148 0.483 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.803 -14.699 -0.415 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.327 -14.771 1.941 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.287 -13.505 1.202 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.058 -11.788 2.196 1.00 1.11 H new ATOM 0 HD3 ARG A 47 3.608 -12.761 2.345 1.00 1.11 H new ATOM 0 HE ARG A 47 5.658 -12.452 4.328 1.00 1.41 H new ATOM 0 HH11 ARG A 47 3.535 -14.879 2.894 1.00 2.41 H new ATOM 0 HH12 ARG A 47 3.483 -15.868 4.357 1.00 2.41 H new ATOM 0 HH21 ARG A 47 5.589 -13.727 6.203 1.00 2.03 H new ATOM 0 HH22 ARG A 47 4.641 -15.218 6.224 1.00 2.03 H new ATOM 777 N TRP A 48 3.437 -10.382 -0.316 1.00 0.50 N ATOM 778 CA TRP A 48 2.429 -9.405 0.089 1.00 0.43 C ATOM 779 C TRP A 48 2.015 -9.584 1.550 1.00 0.45 C ATOM 780 O TRP A 48 1.343 -10.555 1.900 1.00 0.65 O ATOM 781 CB TRP A 48 1.203 -9.526 -0.805 1.00 0.47 C ATOM 782 CG TRP A 48 1.509 -9.318 -2.252 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.264 -10.191 -3.268 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.123 -8.168 -2.847 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.686 -9.655 -4.457 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.215 -8.415 -4.226 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.601 -6.952 -2.347 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.764 -7.496 -5.114 1.00 0.41 C ATOM 789 CZ3 TRP A 48 3.147 -6.040 -3.229 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.224 -6.316 -4.598 1.00 0.38 C ATOM 0 H TRP A 48 4.267 -9.972 -0.744 1.00 0.50 H new ATOM 0 HA TRP A 48 2.871 -8.414 -0.015 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.760 -10.513 -0.672 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.457 -8.797 -0.489 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.805 -11.162 -3.154 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.617 -10.108 -5.368 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.544 -6.731 -1.291 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.825 -7.706 -6.172 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.521 -5.098 -2.855 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.656 -5.582 -5.262 1.00 0.38 H new ATOM 801 N LEU A 49 2.408 -8.642 2.402 1.00 0.38 N ATOM 802 CA LEU A 49 2.063 -8.710 3.818 1.00 0.42 C ATOM 803 C LEU A 49 1.643 -7.341 4.352 1.00 0.36 C ATOM 804 O LEU A 49 2.433 -6.398 4.360 1.00 0.39 O ATOM 805 CB LEU A 49 3.244 -9.248 4.629 1.00 0.52 C ATOM 806 CG LEU A 49 2.998 -10.594 5.314 1.00 0.67 C ATOM 807 CD1 LEU A 49 2.062 -10.428 6.502 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.429 -11.593 4.322 1.00 0.84 C ATOM 0 H LEU A 49 2.962 -7.827 2.139 1.00 0.38 H new ATOM 0 HA LEU A 49 1.218 -9.391 3.923 1.00 0.42 H new ATOM 0 HB2 LEU A 49 4.105 -9.346 3.968 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.508 -8.513 5.389 1.00 0.52 H new ATOM 0 HG LEU A 49 3.951 -10.974 5.682 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.900 -11.396 6.975 1.00 1.28 H new ATOM 0 HD12 LEU A 49 2.507 -9.742 7.223 1.00 1.28 H new ATOM 0 HD13 LEU A 49 1.108 -10.027 6.160 1.00 1.28 H new ATOM 0 HD21 LEU A 49 2.259 -12.546 4.823 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.485 -11.217 3.927 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.134 -11.734 3.503 1.00 0.84 H new ATOM 820 N LYS A 50 0.393 -7.243 4.799 1.00 0.40 N ATOM 821 CA LYS A 50 -0.136 -5.995 5.337 1.00 0.40 C ATOM 822 C LYS A 50 0.767 -5.453 6.442 1.00 0.47 C ATOM 823 O LYS A 50 0.624 -5.820 7.608 1.00 0.85 O ATOM 824 CB LYS A 50 -1.551 -6.209 5.881 1.00 0.59 C ATOM 825 CG LYS A 50 -1.673 -7.398 6.821 1.00 0.72 C ATOM 826 CD LYS A 50 -3.045 -8.050 6.726 1.00 1.03 C ATOM 827 CE LYS A 50 -4.105 -7.240 7.456 1.00 0.86 C ATOM 828 NZ LYS A 50 -5.075 -8.112 8.177 1.00 1.30 N ATOM 0 H LYS A 50 -0.273 -8.016 4.799 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.170 -5.265 4.528 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.868 -5.308 6.406 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.235 -6.348 5.044 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -0.904 -8.132 6.582 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.495 -7.072 7.846 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.326 -8.156 5.678 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.000 -9.054 7.147 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.623 -6.569 8.167 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.641 -6.616 6.741 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.780 -7.521 8.661 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.554 -8.735 7.496 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.568 -8.690 8.878 1.00 1.30 H new ATOM 842 N ALA A 51 1.695 -4.579 6.068 1.00 0.45 N ATOM 843 CA ALA A 51 2.619 -3.987 7.029 1.00 0.63 C ATOM 844 C ALA A 51 1.885 -3.098 8.022 1.00 0.55 C ATOM 845 O ALA A 51 1.993 -3.280 9.235 1.00 0.72 O ATOM 846 CB ALA A 51 3.693 -3.184 6.310 1.00 0.86 C ATOM 0 H ALA A 51 1.828 -4.265 5.107 1.00 0.45 H new ATOM 0 HA ALA A 51 3.091 -4.800 7.580 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.374 -2.749 7.042 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.250 -3.839 5.641 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.225 -2.387 5.732 1.00 0.86 H new ATOM 852 N ASN A 52 1.140 -2.134 7.496 1.00 0.42 N ATOM 853 CA ASN A 52 0.388 -1.210 8.338 1.00 0.43 C ATOM 854 C ASN A 52 -0.453 -1.959 9.364 1.00 0.59 C ATOM 855 O ASN A 52 -0.914 -3.073 9.115 1.00 1.60 O ATOM 856 CB ASN A 52 -0.509 -0.315 7.482 1.00 0.38 C ATOM 857 CG ASN A 52 -1.668 -1.072 6.865 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.642 -1.414 5.682 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.693 -1.339 7.667 1.00 0.62 N ATOM 0 H ASN A 52 1.040 -1.971 6.494 1.00 0.42 H new ATOM 0 HA ASN A 52 1.106 -0.588 8.872 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.896 0.498 8.096 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.087 0.139 6.690 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.502 -1.847 7.309 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.671 -1.036 8.641 1.00 0.62 H new ATOM 866 N PHE A 53 -0.652 -1.334 10.520 1.00 0.81 N ATOM 867 CA PHE A 53 -1.439 -1.931 11.590 1.00 0.82 C ATOM 868 C PHE A 53 -2.016 -0.855 12.502 1.00 0.84 C ATOM 869 O PHE A 53 -2.308 -1.110 13.670 1.00 1.20 O ATOM 870 CB PHE A 53 -0.585 -2.901 12.406 1.00 0.96 C ATOM 871 CG PHE A 53 -1.388 -3.987 13.060 1.00 1.15 C ATOM 872 CD1 PHE A 53 -2.362 -4.665 12.346 1.00 1.32 C ATOM 873 CD2 PHE A 53 -1.172 -4.326 14.385 1.00 1.68 C ATOM 874 CE1 PHE A 53 -3.106 -5.663 12.942 1.00 1.66 C ATOM 875 CE2 PHE A 53 -1.914 -5.326 14.987 1.00 2.08 C ATOM 876 CZ PHE A 53 -2.883 -5.995 14.263 1.00 1.96 C ATOM 0 H PHE A 53 -0.277 -0.411 10.739 1.00 0.81 H new ATOM 0 HA PHE A 53 -2.263 -2.481 11.135 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.163 -3.353 11.755 1.00 0.96 H new ATOM 0 HB3 PHE A 53 -0.046 -2.344 13.173 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.541 -4.410 11.312 1.00 1.32 H new ATOM 0 HD2 PHE A 53 -0.417 -3.804 14.954 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -3.863 -6.184 12.375 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -1.737 -5.584 16.021 1.00 2.08 H new ATOM 0 HZ PHE A 53 -3.465 -6.776 14.730 1.00 1.96 H new ATOM 886 N SER A 54 -2.175 0.350 11.965 1.00 0.79 N ATOM 887 CA SER A 54 -2.716 1.462 12.741 1.00 0.89 C ATOM 888 C SER A 54 -3.962 2.038 12.081 1.00 0.95 C ATOM 889 O SER A 54 -4.292 3.207 12.274 1.00 1.89 O ATOM 890 CB SER A 54 -1.663 2.558 12.903 1.00 1.00 C ATOM 891 OG SER A 54 -0.505 2.061 13.551 1.00 1.71 O ATOM 0 H SER A 54 -1.939 0.582 11.000 1.00 0.79 H new ATOM 0 HA SER A 54 -2.992 1.080 13.724 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.394 2.955 11.924 1.00 1.00 H new ATOM 0 HB3 SER A 54 -2.079 3.384 13.479 1.00 1.00 H new ATOM 0 HG SER A 54 0.154 2.781 13.641 1.00 1.71 H new ATOM 897 N ASN A 55 -4.651 1.212 11.302 1.00 0.75 N ATOM 898 CA ASN A 55 -5.861 1.649 10.616 1.00 0.69 C ATOM 899 C ASN A 55 -5.575 2.868 9.745 1.00 0.66 C ATOM 900 O ASN A 55 -5.385 3.974 10.251 1.00 1.05 O ATOM 901 CB ASN A 55 -6.957 1.976 11.631 1.00 0.84 C ATOM 902 CG ASN A 55 -8.340 1.601 11.135 1.00 1.11 C ATOM 903 OD1 ASN A 55 -9.070 0.864 11.797 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.706 2.107 9.963 1.00 0.83 N ATOM 0 H ASN A 55 -4.394 0.240 11.130 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.203 0.837 9.975 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.754 1.448 12.563 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.932 3.042 11.856 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.625 1.889 9.578 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.068 2.714 9.448 1.00 0.83 H new ATOM 911 N ILE A 56 -5.545 2.657 8.435 1.00 0.40 N ATOM 912 CA ILE A 56 -5.280 3.737 7.494 1.00 0.33 C ATOM 913 C ILE A 56 -6.583 4.296 6.931 1.00 0.31 C ATOM 914 O ILE A 56 -7.038 3.887 5.862 1.00 0.53 O ATOM 915 CB ILE A 56 -4.375 3.257 6.340 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.050 2.733 6.899 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.126 4.380 5.345 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.232 1.950 5.896 1.00 0.69 C ATOM 0 H ILE A 56 -5.701 1.747 8.000 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.762 4.528 8.037 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.882 2.448 5.815 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.459 3.576 7.257 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.256 2.098 7.761 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.486 4.018 4.541 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.076 4.715 4.929 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.637 5.213 5.851 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.308 1.612 6.365 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.803 1.087 5.555 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.994 2.587 5.044 1.00 0.69 H new ATOM 930 N LEU A 57 -7.183 5.229 7.666 1.00 0.44 N ATOM 931 CA LEU A 57 -8.441 5.844 7.253 1.00 0.45 C ATOM 932 C LEU A 57 -8.238 6.808 6.089 1.00 0.42 C ATOM 933 O LEU A 57 -9.051 6.858 5.168 1.00 0.60 O ATOM 934 CB LEU A 57 -9.081 6.580 8.429 1.00 0.48 C ATOM 935 CG LEU A 57 -10.367 7.338 8.093 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.387 6.402 7.461 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.941 7.991 9.339 1.00 1.60 C ATOM 0 H LEU A 57 -6.817 5.576 8.553 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.105 5.046 6.920 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -9.298 5.858 9.216 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.356 7.286 8.835 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.128 8.122 7.374 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -12.296 6.958 7.228 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.975 5.980 6.544 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -11.622 5.597 8.157 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.855 8.526 9.081 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -11.166 7.225 10.081 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -10.214 8.692 9.750 1.00 1.60 H new ATOM 949 N GLU A 58 -7.151 7.571 6.133 1.00 0.39 N ATOM 950 CA GLU A 58 -6.851 8.525 5.077 1.00 0.43 C ATOM 951 C GLU A 58 -5.985 7.872 4.008 1.00 0.51 C ATOM 952 O GLU A 58 -5.076 7.102 4.322 1.00 1.09 O ATOM 953 CB GLU A 58 -6.148 9.759 5.650 1.00 0.44 C ATOM 954 CG GLU A 58 -4.697 9.515 6.038 1.00 0.44 C ATOM 955 CD GLU A 58 -4.232 10.423 7.159 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.052 11.228 7.648 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.049 10.329 7.547 1.00 1.54 O ATOM 0 H GLU A 58 -6.466 7.546 6.888 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.789 8.844 4.622 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.187 10.562 4.914 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.696 10.103 6.527 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.577 8.476 6.344 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.061 9.666 5.166 1.00 0.44 H new ATOM 964 N ASN A 59 -6.265 8.176 2.749 1.00 0.31 N ATOM 965 CA ASN A 59 -5.503 7.606 1.647 1.00 0.28 C ATOM 966 C ASN A 59 -4.110 8.218 1.566 1.00 0.28 C ATOM 967 O ASN A 59 -3.751 8.860 0.579 1.00 0.49 O ATOM 968 CB ASN A 59 -6.233 7.797 0.324 1.00 0.32 C ATOM 969 CG ASN A 59 -6.395 9.260 -0.039 1.00 0.86 C ATOM 970 OD1 ASN A 59 -6.537 10.115 0.835 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.377 9.556 -1.332 1.00 0.91 N ATOM 0 H ASN A 59 -7.011 8.811 2.466 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.400 6.538 1.839 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.684 7.287 -0.468 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.216 7.329 0.383 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.483 10.524 -1.635 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.257 8.815 -2.023 1.00 0.91 H new ATOM 978 N GLU A 60 -3.334 8.006 2.618 1.00 0.29 N ATOM 979 CA GLU A 60 -1.973 8.515 2.703 1.00 0.29 C ATOM 980 C GLU A 60 -1.265 7.833 3.860 1.00 0.27 C ATOM 981 O GLU A 60 -1.335 8.293 5.001 1.00 0.35 O ATOM 982 CB GLU A 60 -1.978 10.033 2.899 1.00 0.34 C ATOM 983 CG GLU A 60 -0.721 10.713 2.383 1.00 0.49 C ATOM 984 CD GLU A 60 -1.010 11.703 1.270 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.526 12.799 1.571 1.00 2.05 O ATOM 986 OE2 GLU A 60 -0.720 11.380 0.100 1.00 1.91 O ATOM 0 H GLU A 60 -3.630 7.476 3.438 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.446 8.300 1.774 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.845 10.455 2.390 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.092 10.254 3.960 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.228 11.230 3.206 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.026 9.956 2.020 1.00 0.49 H new ATOM 993 N PHE A 61 -0.603 6.720 3.569 1.00 0.24 N ATOM 994 CA PHE A 61 0.090 5.969 4.605 1.00 0.24 C ATOM 995 C PHE A 61 1.549 5.713 4.242 1.00 0.24 C ATOM 996 O PHE A 61 1.956 5.869 3.091 1.00 0.25 O ATOM 997 CB PHE A 61 -0.635 4.639 4.851 1.00 0.28 C ATOM 998 CG PHE A 61 0.108 3.699 5.753 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.038 3.775 7.129 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.959 2.743 5.225 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.649 2.912 7.961 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.649 1.880 6.049 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.495 1.963 7.419 1.00 0.48 C ATOM 0 H PHE A 61 -0.532 6.321 2.633 1.00 0.24 H new ATOM 0 HA PHE A 61 0.081 6.567 5.516 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.614 4.845 5.284 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.807 4.148 3.893 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.696 4.517 7.556 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.084 2.673 4.155 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.525 2.979 9.032 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.310 1.139 5.624 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.035 1.287 8.066 1.00 0.48 H new ATOM 1013 N THR A 62 2.326 5.314 5.243 1.00 0.25 N ATOM 1014 CA THR A 62 3.736 5.025 5.055 1.00 0.27 C ATOM 1015 C THR A 62 4.062 3.611 5.511 1.00 0.29 C ATOM 1016 O THR A 62 3.846 3.258 6.671 1.00 0.35 O ATOM 1017 CB THR A 62 4.599 6.025 5.820 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.087 7.338 5.684 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.042 6.044 5.364 1.00 0.37 C ATOM 0 H THR A 62 1.996 5.184 6.199 1.00 0.25 H new ATOM 0 HA THR A 62 3.955 5.111 3.991 1.00 0.27 H new ATOM 0 HB THR A 62 4.568 5.696 6.859 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.606 7.823 5.009 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.599 6.776 5.949 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.481 5.057 5.506 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.087 6.313 4.309 1.00 0.37 H new ATOM 1027 N VAL A 63 4.580 2.807 4.594 1.00 0.31 N ATOM 1028 CA VAL A 63 4.929 1.432 4.906 1.00 0.36 C ATOM 1029 C VAL A 63 6.333 1.332 5.481 1.00 0.38 C ATOM 1030 O VAL A 63 7.326 1.451 4.763 1.00 0.50 O ATOM 1031 CB VAL A 63 4.822 0.533 3.662 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.969 -0.930 4.043 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.501 0.773 2.949 1.00 0.58 C ATOM 0 H VAL A 63 4.767 3.084 3.630 1.00 0.31 H new ATOM 0 HA VAL A 63 4.216 1.088 5.655 1.00 0.36 H new ATOM 0 HB VAL A 63 5.633 0.788 2.980 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.890 -1.549 3.149 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.941 -1.089 4.509 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.181 -1.204 4.744 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.439 0.130 2.071 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.676 0.545 3.624 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.439 1.816 2.640 1.00 0.58 H new ATOM 1043 N SER A 64 6.403 1.111 6.788 1.00 0.49 N ATOM 1044 CA SER A 64 7.679 0.991 7.481 1.00 0.55 C ATOM 1045 C SER A 64 8.039 -0.476 7.700 1.00 0.63 C ATOM 1046 O SER A 64 7.557 -1.355 6.984 1.00 0.99 O ATOM 1047 CB SER A 64 7.623 1.726 8.821 1.00 0.63 C ATOM 1048 OG SER A 64 7.070 0.903 9.833 1.00 1.33 O ATOM 0 H SER A 64 5.587 1.011 7.391 1.00 0.49 H new ATOM 0 HA SER A 64 8.451 1.445 6.860 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.627 2.038 9.110 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.025 2.632 8.718 1.00 0.63 H new ATOM 0 HG SER A 64 7.047 1.396 10.680 1.00 1.33 H new ATOM 1054 N GLY A 65 8.887 -0.737 8.688 1.00 0.71 N ATOM 1055 CA GLY A 65 9.291 -2.101 8.971 1.00 0.78 C ATOM 1056 C GLY A 65 9.972 -2.760 7.787 1.00 0.72 C ATOM 1057 O GLY A 65 10.086 -3.984 7.729 1.00 0.90 O ATOM 0 H GLY A 65 9.301 -0.031 9.296 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.968 -2.107 9.825 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.415 -2.685 9.254 1.00 0.78 H new ATOM 1061 N LEU A 66 10.428 -1.946 6.838 1.00 0.64 N ATOM 1062 CA LEU A 66 11.101 -2.457 5.651 1.00 0.65 C ATOM 1063 C LEU A 66 12.566 -2.756 5.947 1.00 0.59 C ATOM 1064 O LEU A 66 12.969 -2.852 7.106 1.00 0.65 O ATOM 1065 CB LEU A 66 10.995 -1.447 4.506 1.00 0.74 C ATOM 1066 CG LEU A 66 9.585 -0.921 4.248 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.627 0.308 3.354 1.00 0.89 C ATOM 1068 CD2 LEU A 66 8.718 -2.005 3.629 1.00 1.47 C ATOM 0 H LEU A 66 10.343 -0.930 6.870 1.00 0.64 H new ATOM 0 HA LEU A 66 10.611 -3.384 5.354 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.649 -0.603 4.723 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.367 -1.912 3.593 1.00 0.74 H new ATOM 0 HG LEU A 66 9.145 -0.633 5.203 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.613 0.668 3.182 1.00 0.89 H new ATOM 0 HD12 LEU A 66 10.212 1.090 3.838 1.00 0.89 H new ATOM 0 HD13 LEU A 66 10.087 0.049 2.400 1.00 0.89 H new ATOM 0 HD21 LEU A 66 7.717 -1.613 3.452 1.00 1.47 H new ATOM 0 HD22 LEU A 66 9.155 -2.325 2.683 1.00 1.47 H new ATOM 0 HD23 LEU A 66 8.660 -2.856 4.308 1.00 1.47 H new ATOM 1080 N THR A 67 13.355 -2.898 4.891 1.00 0.65 N ATOM 1081 CA THR A 67 14.777 -3.184 5.030 1.00 0.69 C ATOM 1082 C THR A 67 15.574 -2.482 3.936 1.00 0.72 C ATOM 1083 O THR A 67 15.048 -2.186 2.864 1.00 1.06 O ATOM 1084 CB THR A 67 15.022 -4.691 4.974 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.330 -5.349 6.021 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.485 -5.066 5.085 1.00 0.99 C ATOM 0 H THR A 67 13.034 -2.820 3.926 1.00 0.65 H new ATOM 0 HA THR A 67 15.110 -2.809 5.997 1.00 0.69 H new ATOM 0 HB THR A 67 14.657 -5.007 3.997 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.497 -6.313 5.968 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.587 -6.150 5.038 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.040 -4.613 4.263 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.882 -4.705 6.034 1.00 0.99 H new ATOM 1094 N GLU A 68 16.844 -2.219 4.215 1.00 0.66 N ATOM 1095 CA GLU A 68 17.715 -1.551 3.256 1.00 0.67 C ATOM 1096 C GLU A 68 18.210 -2.533 2.200 1.00 0.60 C ATOM 1097 O GLU A 68 18.222 -3.744 2.420 1.00 0.69 O ATOM 1098 CB GLU A 68 18.903 -0.911 3.978 1.00 0.76 C ATOM 1099 CG GLU A 68 19.420 0.351 3.307 1.00 0.96 C ATOM 1100 CD GLU A 68 20.935 0.397 3.247 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.518 -0.319 2.407 1.00 1.89 O ATOM 1102 OE2 GLU A 68 21.538 1.151 4.040 1.00 1.91 O ATOM 0 H GLU A 68 17.295 -2.458 5.098 1.00 0.66 H new ATOM 0 HA GLU A 68 17.141 -0.770 2.757 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.610 -0.674 5.001 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.714 -1.637 4.039 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.017 0.412 2.296 1.00 0.96 H new ATOM 0 HG3 GLU A 68 19.054 1.223 3.849 1.00 0.96 H new ATOM 1109 N ASP A 69 18.616 -2.004 1.051 1.00 0.52 N ATOM 1110 CA ASP A 69 19.109 -2.837 -0.039 1.00 0.49 C ATOM 1111 C ASP A 69 18.117 -3.949 -0.360 1.00 0.44 C ATOM 1112 O ASP A 69 18.487 -5.121 -0.439 1.00 0.54 O ATOM 1113 CB ASP A 69 20.466 -3.442 0.325 1.00 0.59 C ATOM 1114 CG ASP A 69 21.226 -3.931 -0.891 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.710 -3.777 -2.017 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.339 -4.471 -0.718 1.00 1.66 O ATOM 0 H ASP A 69 18.613 -1.004 0.851 1.00 0.52 H new ATOM 0 HA ASP A 69 19.225 -2.207 -0.921 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.064 -2.696 0.848 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.317 -4.273 1.015 1.00 0.59 H new ATOM 1121 N ALA A 70 16.856 -3.576 -0.542 1.00 0.40 N ATOM 1122 CA ALA A 70 15.814 -4.545 -0.853 1.00 0.40 C ATOM 1123 C ALA A 70 14.637 -3.883 -1.555 1.00 0.35 C ATOM 1124 O ALA A 70 14.054 -2.927 -1.043 1.00 0.36 O ATOM 1125 CB ALA A 70 15.342 -5.240 0.415 1.00 0.49 C ATOM 0 H ALA A 70 16.531 -2.611 -0.480 1.00 0.40 H new ATOM 0 HA ALA A 70 16.239 -5.287 -1.529 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.563 -5.961 0.166 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.181 -5.758 0.880 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.943 -4.500 1.109 1.00 0.49 H new ATOM 1131 N ALA A 71 14.289 -4.398 -2.727 1.00 0.33 N ATOM 1132 CA ALA A 71 13.175 -3.860 -3.492 1.00 0.30 C ATOM 1133 C ALA A 71 11.851 -4.277 -2.866 1.00 0.27 C ATOM 1134 O ALA A 71 11.597 -5.464 -2.664 1.00 0.36 O ATOM 1135 CB ALA A 71 13.259 -4.320 -4.938 1.00 0.34 C ATOM 0 H ALA A 71 14.762 -5.187 -3.167 1.00 0.33 H new ATOM 0 HA ALA A 71 13.231 -2.772 -3.475 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.419 -3.910 -5.499 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.194 -3.971 -5.377 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.224 -5.409 -4.976 1.00 0.34 H new ATOM 1141 N TYR A 72 11.015 -3.295 -2.547 1.00 0.24 N ATOM 1142 CA TYR A 72 9.723 -3.570 -1.929 1.00 0.24 C ATOM 1143 C TYR A 72 8.571 -2.977 -2.732 1.00 0.21 C ATOM 1144 O TYR A 72 8.578 -1.796 -3.075 1.00 0.23 O ATOM 1145 CB TYR A 72 9.693 -3.011 -0.505 1.00 0.30 C ATOM 1146 CG TYR A 72 10.450 -3.852 0.498 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.822 -4.890 1.173 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.792 -3.610 0.768 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.506 -5.662 2.091 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.484 -4.379 1.685 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.836 -5.404 2.344 1.00 0.46 C ATOM 1152 OH TYR A 72 12.520 -6.172 3.258 1.00 0.56 O ATOM 0 H TYR A 72 11.207 -2.306 -2.705 1.00 0.24 H new ATOM 0 HA TYR A 72 9.596 -4.652 -1.906 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.112 -2.005 -0.511 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.656 -2.922 -0.181 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.780 -5.097 0.977 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.302 -2.809 0.253 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.001 -6.464 2.608 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.526 -4.179 1.885 1.00 0.42 H new ATOM 0 HH TYR A 72 13.358 -6.486 2.859 1.00 0.56 H new ATOM 1162 N GLU A 73 7.575 -3.812 -3.009 1.00 0.21 N ATOM 1163 CA GLU A 73 6.390 -3.388 -3.753 1.00 0.21 C ATOM 1164 C GLU A 73 5.226 -3.219 -2.778 1.00 0.23 C ATOM 1165 O GLU A 73 5.189 -3.896 -1.751 1.00 0.32 O ATOM 1166 CB GLU A 73 6.052 -4.423 -4.826 1.00 0.25 C ATOM 1167 CG GLU A 73 5.495 -3.824 -6.107 1.00 0.65 C ATOM 1168 CD GLU A 73 5.329 -4.857 -7.205 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.355 -5.377 -7.692 1.00 1.32 O ATOM 1170 OE2 GLU A 73 4.173 -5.145 -7.579 1.00 1.50 O ATOM 0 H GLU A 73 7.564 -4.793 -2.728 1.00 0.21 H new ATOM 0 HA GLU A 73 6.582 -2.436 -4.248 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.951 -4.992 -5.064 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.326 -5.128 -4.421 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.530 -3.361 -5.899 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.160 -3.033 -6.454 1.00 0.65 H new ATOM 1177 N PHE A 74 4.283 -2.316 -3.062 1.00 0.22 N ATOM 1178 CA PHE A 74 3.166 -2.121 -2.111 1.00 0.28 C ATOM 1179 C PHE A 74 1.797 -1.889 -2.762 1.00 0.25 C ATOM 1180 O PHE A 74 1.591 -0.907 -3.469 1.00 0.30 O ATOM 1181 CB PHE A 74 3.459 -0.941 -1.171 1.00 0.39 C ATOM 1182 CG PHE A 74 4.919 -0.631 -1.008 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.558 0.204 -1.905 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.648 -1.173 0.037 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.897 0.496 -1.765 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.992 -0.884 0.182 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.617 -0.047 -0.722 1.00 0.53 C ATOM 0 H PHE A 74 4.259 -1.731 -3.897 1.00 0.22 H new ATOM 0 HA PHE A 74 3.103 -3.063 -1.566 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.951 -0.054 -1.550 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.034 -1.157 -0.191 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.001 0.633 -2.725 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.162 -1.828 0.745 1.00 0.42 H new ATOM 0 HE1 PHE A 74 7.383 1.151 -2.473 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.552 -1.312 1.000 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.667 0.181 -0.612 1.00 0.53 H new ATOM 1197 N ARG A 75 0.849 -2.786 -2.468 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.521 -2.672 -2.978 1.00 0.34 C ATOM 1199 C ARG A 75 -1.443 -2.238 -1.846 1.00 0.31 C ATOM 1200 O ARG A 75 -1.084 -2.368 -0.682 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.008 -4.004 -3.546 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.021 -5.138 -2.537 1.00 0.94 C ATOM 1203 CD ARG A 75 -0.144 -6.289 -2.994 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.822 -7.164 -3.947 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.688 -8.107 -3.592 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -1.979 -8.292 -2.312 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -2.261 -8.865 -4.515 1.00 1.87 N ATOM 0 H ARG A 75 1.007 -3.602 -1.877 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.532 -1.932 -3.778 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.015 -3.872 -3.942 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.370 -4.285 -4.384 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -0.672 -4.773 -1.571 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -2.043 -5.490 -2.395 1.00 0.94 H new ATOM 0 HD2 ARG A 75 0.762 -5.892 -3.451 1.00 1.08 H new ATOM 0 HD3 ARG A 75 0.166 -6.872 -2.127 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.619 -7.045 -4.940 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -1.538 -7.710 -1.600 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.644 -9.016 -2.040 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -2.038 -8.725 -5.500 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -2.926 -9.588 -4.240 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.627 -1.727 -2.172 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.552 -1.294 -1.124 1.00 0.39 C ATOM 1223 C VAL A 76 -4.853 -2.097 -1.129 1.00 0.31 C ATOM 1224 O VAL A 76 -5.693 -1.936 -2.013 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.893 0.218 -1.220 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.952 0.610 -0.195 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.656 1.074 -1.018 1.00 0.54 C ATOM 0 H VAL A 76 -2.964 -1.604 -3.127 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.026 -1.477 -0.187 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.286 0.394 -2.221 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.170 1.674 -0.286 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.861 0.036 -0.374 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.582 0.400 0.809 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.927 2.127 -1.091 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.233 0.875 -0.033 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.919 0.835 -1.785 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.019 -2.936 -0.111 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.215 -3.732 0.044 1.00 0.31 C ATOM 1239 C ILE A 77 -7.133 -3.001 1.018 1.00 0.30 C ATOM 1240 O ILE A 77 -6.658 -2.436 2.003 1.00 0.42 O ATOM 1241 CB ILE A 77 -5.879 -5.136 0.586 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.070 -5.926 -0.443 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.146 -5.883 0.952 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.588 -7.265 0.067 1.00 0.42 C ATOM 0 H ILE A 77 -4.326 -3.077 0.624 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.701 -3.863 -0.923 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.276 -5.022 1.487 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -5.682 -6.083 -1.331 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.209 -5.332 -0.750 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.889 -6.871 1.332 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.687 -5.328 1.719 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.775 -5.987 0.068 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.022 -7.770 -0.716 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -3.949 -7.114 0.937 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.445 -7.877 0.347 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.432 -2.985 0.754 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.341 -2.277 1.651 1.00 0.30 C ATOM 1258 C ALA A 78 -10.756 -2.817 1.595 1.00 0.34 C ATOM 1259 O ALA A 78 -11.262 -3.146 0.531 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.341 -0.793 1.321 1.00 0.39 C ATOM 0 H ALA A 78 -8.872 -3.438 -0.047 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.977 -2.435 2.666 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.021 -0.271 1.994 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.334 -0.394 1.441 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.668 -0.649 0.291 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.394 -2.889 2.758 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.763 -3.373 2.850 1.00 0.43 C ATOM 1268 C LYS A 79 -13.747 -2.234 2.616 1.00 0.59 C ATOM 1269 O LYS A 79 -13.348 -1.114 2.297 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.024 -3.986 4.224 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.373 -5.339 4.440 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.926 -6.008 5.687 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.475 -7.456 5.793 1.00 1.71 C ATOM 1274 NZ LYS A 79 -11.835 -7.744 7.105 1.00 1.98 N ATOM 0 H LYS A 79 -10.982 -2.617 3.651 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.902 -4.135 2.083 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.666 -3.298 4.990 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.100 -4.087 4.365 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.548 -5.975 3.572 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.294 -5.218 4.534 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -12.599 -5.459 6.570 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.015 -5.966 5.670 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.333 -8.114 5.655 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.772 -7.677 4.990 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -11.542 -8.741 7.137 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -11.001 -7.134 7.226 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -12.514 -7.558 7.871 1.00 1.98 H new ATOM 1288 N ASN A 80 -15.032 -2.521 2.782 1.00 0.65 N ATOM 1289 CA ASN A 80 -16.062 -1.514 2.594 1.00 0.70 C ATOM 1290 C ASN A 80 -17.020 -1.491 3.783 1.00 0.87 C ATOM 1291 O ASN A 80 -17.072 -2.433 4.572 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.835 -1.779 1.303 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.370 -3.196 1.219 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.443 -3.905 2.222 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.749 -3.616 0.017 1.00 2.05 N ATOM 0 H ASN A 80 -15.383 -3.442 3.046 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.577 -0.540 2.522 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.666 -1.077 1.232 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.184 -1.590 0.450 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.118 -4.560 -0.101 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.671 -2.995 -0.788 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.772 -0.404 3.904 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.734 -0.238 4.997 1.00 0.82 C ATOM 1304 C ALA A 81 -19.537 -1.514 5.260 1.00 0.88 C ATOM 1305 O ALA A 81 -20.011 -1.735 6.374 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.684 0.916 4.694 1.00 0.83 C ATOM 0 H ALA A 81 -17.737 0.383 3.256 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.162 -0.016 5.898 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.393 1.028 5.514 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.113 1.837 4.580 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.226 0.708 3.771 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.701 -2.343 4.232 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.463 -3.581 4.364 1.00 0.90 C ATOM 1314 C ALA A 82 -19.638 -4.715 4.969 1.00 0.88 C ATOM 1315 O ALA A 82 -20.193 -5.700 5.456 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.014 -3.997 3.011 1.00 0.94 C ATOM 0 H ALA A 82 -19.317 -2.180 3.301 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.285 -3.383 5.052 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.581 -4.922 3.118 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.667 -3.213 2.627 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.190 -4.155 2.316 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.318 -4.583 4.935 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.465 -5.615 5.481 1.00 0.86 C ATOM 1324 C GLY A 83 -16.708 -6.357 4.400 1.00 0.78 C ATOM 1325 O GLY A 83 -15.683 -6.983 4.670 1.00 0.93 O ATOM 0 H GLY A 83 -17.826 -3.781 4.540 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.756 -5.168 6.178 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.069 -6.321 6.050 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.208 -6.283 3.168 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.557 -6.949 2.052 1.00 0.78 C ATOM 1331 C ALA A 84 -15.113 -6.492 1.951 1.00 0.76 C ATOM 1332 O ALA A 84 -14.724 -5.512 2.587 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.303 -6.672 0.755 1.00 0.92 C ATOM 0 H ALA A 84 -18.056 -5.771 2.923 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.572 -8.025 2.225 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -16.801 -7.179 -0.069 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.326 -7.040 0.838 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.318 -5.599 0.566 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.314 -7.197 1.167 1.00 0.50 N ATOM 1340 CA ILE A 85 -12.914 -6.838 1.023 1.00 0.40 C ATOM 1341 C ILE A 85 -12.555 -6.452 -0.401 1.00 0.38 C ATOM 1342 O ILE A 85 -12.388 -7.311 -1.266 1.00 0.48 O ATOM 1343 CB ILE A 85 -11.986 -7.981 1.476 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.523 -7.534 1.419 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.206 -9.211 0.608 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -9.863 -7.458 2.778 1.00 0.79 C ATOM 0 H ILE A 85 -14.606 -8.011 0.627 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.766 -5.970 1.666 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.225 -8.239 2.508 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -9.964 -8.227 0.790 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.468 -6.555 0.942 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.544 -10.012 0.938 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.242 -9.537 0.695 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -11.989 -8.966 -0.432 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -8.828 -7.135 2.662 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.399 -6.743 3.403 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -9.886 -8.441 3.249 1.00 0.79 H new ATOM 1358 N SER A 86 -12.416 -5.152 -0.633 1.00 0.39 N ATOM 1359 CA SER A 86 -12.050 -4.661 -1.953 1.00 0.45 C ATOM 1360 C SER A 86 -10.657 -5.187 -2.311 1.00 0.44 C ATOM 1361 O SER A 86 -9.692 -4.950 -1.568 1.00 0.43 O ATOM 1362 CB SER A 86 -12.074 -3.127 -1.998 1.00 0.54 C ATOM 1363 OG SER A 86 -10.784 -2.582 -1.786 1.00 0.59 O ATOM 0 H SER A 86 -12.550 -4.425 0.070 1.00 0.39 H new ATOM 0 HA SER A 86 -12.777 -5.021 -2.681 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.456 -2.796 -2.964 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.759 -2.750 -1.238 1.00 0.54 H new ATOM 0 HG SER A 86 -10.470 -2.823 -0.890 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.530 -5.915 -3.440 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.259 -6.487 -3.880 1.00 0.61 C ATOM 1371 C PRO A 87 -8.084 -5.528 -3.720 1.00 0.54 C ATOM 1372 O PRO A 87 -8.268 -4.321 -3.566 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.488 -6.821 -5.362 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.879 -6.371 -5.683 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.609 -6.250 -4.376 1.00 0.59 C ATOM 0 HA PRO A 87 -8.991 -7.354 -3.276 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.759 -6.312 -5.993 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.374 -7.890 -5.542 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.865 -5.416 -6.208 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.375 -7.087 -6.338 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.374 -5.474 -4.409 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.109 -7.179 -4.103 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.849 -6.067 -3.751 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.627 -5.266 -3.605 1.00 0.56 C ATOM 1385 C PRO A 88 -5.436 -4.273 -4.740 1.00 0.48 C ATOM 1386 O PRO A 88 -5.607 -4.609 -5.913 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.504 -6.311 -3.629 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.097 -7.493 -4.313 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.547 -7.499 -3.927 1.00 0.72 C ATOM 0 HA PRO A 88 -5.654 -4.662 -2.698 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.631 -5.941 -4.166 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.176 -6.562 -2.620 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -4.980 -7.420 -5.394 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.605 -8.414 -4.001 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.169 -7.951 -4.700 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.718 -8.063 -3.010 1.00 0.72 H new ATOM 1397 N SER A 89 -5.066 -3.050 -4.384 1.00 0.43 N ATOM 1398 CA SER A 89 -4.833 -2.009 -5.372 1.00 0.42 C ATOM 1399 C SER A 89 -3.466 -2.214 -6.017 1.00 0.35 C ATOM 1400 O SER A 89 -2.459 -2.296 -5.314 1.00 0.51 O ATOM 1401 CB SER A 89 -4.903 -0.630 -4.723 1.00 0.56 C ATOM 1402 OG SER A 89 -5.487 0.319 -5.597 1.00 1.28 O ATOM 0 H SER A 89 -4.921 -2.756 -3.418 1.00 0.43 H new ATOM 0 HA SER A 89 -5.607 -2.069 -6.137 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.485 -0.687 -3.803 1.00 0.56 H new ATOM 0 HB3 SER A 89 -3.900 -0.304 -4.446 1.00 0.56 H new ATOM 0 HG SER A 89 -5.414 1.214 -5.204 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.456 -2.305 -7.354 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.231 -2.519 -8.153 1.00 0.37 C ATOM 1410 C GLU A 90 -0.960 -2.039 -7.444 1.00 0.34 C ATOM 1411 O GLU A 90 -0.656 -0.851 -7.449 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.361 -1.807 -9.501 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.910 -2.696 -10.606 1.00 0.90 C ATOM 1414 CD GLU A 90 -2.376 -2.321 -11.975 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -2.950 -1.408 -12.605 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -1.387 -2.941 -12.417 1.00 1.77 O ATOM 0 H GLU A 90 -4.301 -2.232 -7.920 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.133 -3.595 -8.295 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.013 -0.941 -9.384 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.383 -1.431 -9.800 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.655 -3.734 -10.392 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.998 -2.630 -10.614 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.203 -2.970 -6.825 1.00 0.30 N ATOM 1424 CA PRO A 91 1.030 -2.657 -6.107 1.00 0.29 C ATOM 1425 C PRO A 91 1.810 -1.484 -6.694 1.00 0.31 C ATOM 1426 O PRO A 91 1.714 -1.187 -7.885 1.00 0.55 O ATOM 1427 CB PRO A 91 1.834 -3.944 -6.253 1.00 0.36 C ATOM 1428 CG PRO A 91 0.819 -5.041 -6.332 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.490 -4.416 -6.774 1.00 0.39 C ATOM 0 HA PRO A 91 0.825 -2.351 -5.081 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.456 -3.919 -7.148 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.503 -4.088 -5.404 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.136 -5.808 -7.039 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.704 -5.528 -5.364 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.803 -4.794 -7.747 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.294 -4.638 -6.072 1.00 0.39 H new ATOM 1437 N SER A 92 2.590 -0.831 -5.837 1.00 0.27 N ATOM 1438 CA SER A 92 3.410 0.301 -6.238 1.00 0.31 C ATOM 1439 C SER A 92 4.804 -0.185 -6.585 1.00 0.27 C ATOM 1440 O SER A 92 5.316 -1.112 -5.943 1.00 0.24 O ATOM 1441 CB SER A 92 3.486 1.346 -5.113 1.00 0.39 C ATOM 1442 OG SER A 92 4.752 1.986 -5.084 1.00 1.23 O ATOM 0 H SER A 92 2.669 -1.073 -4.849 1.00 0.27 H new ATOM 0 HA SER A 92 2.956 0.771 -7.111 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.703 2.091 -5.254 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.299 0.864 -4.154 1.00 0.39 H new ATOM 0 HG SER A 92 5.357 1.487 -4.496 1.00 1.23 H new ATOM 1448 N ASP A 93 5.403 0.448 -7.599 1.00 0.33 N ATOM 1449 CA ASP A 93 6.748 0.107 -8.069 1.00 0.36 C ATOM 1450 C ASP A 93 7.654 -0.337 -6.927 1.00 0.32 C ATOM 1451 O ASP A 93 7.641 0.246 -5.842 1.00 0.56 O ATOM 1452 CB ASP A 93 7.374 1.305 -8.785 1.00 0.45 C ATOM 1453 CG ASP A 93 6.536 1.790 -9.952 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.246 0.976 -10.854 1.00 1.63 O ATOM 1455 OD2 ASP A 93 6.169 2.984 -9.963 1.00 1.55 O ATOM 0 H ASP A 93 4.968 1.212 -8.117 1.00 0.33 H new ATOM 0 HA ASP A 93 6.649 -0.728 -8.763 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.506 2.120 -8.074 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.366 1.031 -9.144 1.00 0.45 H new ATOM 1460 N ALA A 94 8.432 -1.378 -7.180 1.00 0.33 N ATOM 1461 CA ALA A 94 9.340 -1.911 -6.180 1.00 0.28 C ATOM 1462 C ALA A 94 10.562 -1.016 -6.007 1.00 0.29 C ATOM 1463 O ALA A 94 11.343 -0.829 -6.941 1.00 0.41 O ATOM 1464 CB ALA A 94 9.767 -3.315 -6.562 1.00 0.34 C ATOM 0 H ALA A 94 8.452 -1.871 -8.073 1.00 0.33 H new ATOM 0 HA ALA A 94 8.812 -1.944 -5.227 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.448 -3.707 -5.806 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.889 -3.957 -6.627 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.272 -3.292 -7.528 1.00 0.34 H new ATOM 1470 N ILE A 95 10.724 -0.469 -4.809 1.00 0.25 N ATOM 1471 CA ILE A 95 11.850 0.403 -4.510 1.00 0.28 C ATOM 1472 C ILE A 95 12.918 -0.330 -3.706 1.00 0.26 C ATOM 1473 O ILE A 95 12.644 -0.859 -2.629 1.00 0.25 O ATOM 1474 CB ILE A 95 11.394 1.646 -3.729 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.302 2.376 -4.510 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.574 2.567 -3.459 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.900 1.940 -4.147 1.00 0.44 C ATOM 0 H ILE A 95 10.086 -0.615 -4.026 1.00 0.25 H new ATOM 0 HA ILE A 95 12.275 0.715 -5.464 1.00 0.28 H new ATOM 0 HB ILE A 95 10.986 1.333 -2.768 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.397 3.448 -4.334 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.459 2.213 -5.576 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.233 3.442 -2.905 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.324 2.036 -2.873 1.00 0.41 H new ATOM 0 HG23 ILE A 95 13.012 2.884 -4.405 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.179 2.501 -4.741 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.786 0.875 -4.349 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.723 2.129 -3.088 1.00 0.44 H new ATOM 1489 N THR A 96 14.135 -0.357 -4.240 1.00 0.29 N ATOM 1490 CA THR A 96 15.249 -1.026 -3.576 1.00 0.32 C ATOM 1491 C THR A 96 15.389 -0.563 -2.130 1.00 0.32 C ATOM 1492 O THR A 96 15.925 -1.284 -1.288 1.00 0.38 O ATOM 1493 CB THR A 96 16.553 -0.761 -4.334 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.378 -0.972 -5.723 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.700 -1.637 -3.876 1.00 0.43 C ATOM 0 H THR A 96 14.375 0.077 -5.131 1.00 0.29 H new ATOM 0 HA THR A 96 15.043 -2.096 -3.574 1.00 0.32 H new ATOM 0 HB THR A 96 16.804 0.278 -4.122 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.222 -0.796 -6.189 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.593 -1.398 -4.453 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.893 -1.459 -2.818 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.440 -2.685 -4.026 1.00 0.43 H new ATOM 1503 N CYS A 97 14.908 0.643 -1.846 1.00 0.32 N ATOM 1504 CA CYS A 97 14.990 1.195 -0.499 1.00 0.36 C ATOM 1505 C CYS A 97 16.443 1.250 -0.040 1.00 0.43 C ATOM 1506 O CYS A 97 16.780 0.805 1.057 1.00 0.64 O ATOM 1507 CB CYS A 97 14.158 0.358 0.476 1.00 0.38 C ATOM 1508 SG CYS A 97 12.372 0.506 0.238 1.00 1.10 S ATOM 0 H CYS A 97 14.459 1.255 -2.528 1.00 0.32 H new ATOM 0 HA CYS A 97 14.588 2.208 -0.515 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.442 -0.689 0.373 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.404 0.656 1.495 1.00 0.38 H new ATOM 0 HG CYS A 97 12.044 -0.000 -0.914 1.00 1.10 H new ATOM 1514 N ARG A 98 17.298 1.797 -0.898 1.00 0.53 N ATOM 1515 CA ARG A 98 18.721 1.913 -0.596 1.00 0.63 C ATOM 1516 C ARG A 98 19.326 3.171 -1.214 1.00 0.80 C ATOM 1517 O ARG A 98 20.150 3.841 -0.597 1.00 1.04 O ATOM 1518 CB ARG A 98 19.471 0.675 -1.096 1.00 0.68 C ATOM 1519 CG ARG A 98 19.636 0.626 -2.605 1.00 0.74 C ATOM 1520 CD ARG A 98 20.865 1.399 -3.051 1.00 0.92 C ATOM 1521 NE ARG A 98 21.682 0.627 -3.979 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.417 0.514 -5.278 1.00 2.31 C ATOM 1523 NH1 ARG A 98 20.361 1.124 -5.797 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.211 -0.208 -6.057 1.00 2.68 N ATOM 0 H ARG A 98 17.030 2.168 -1.810 1.00 0.53 H new ATOM 0 HA ARG A 98 18.824 1.987 0.487 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.456 0.646 -0.631 1.00 0.68 H new ATOM 0 HB3 ARG A 98 18.938 -0.218 -0.769 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.718 -0.411 -2.931 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.749 1.041 -3.084 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.556 2.330 -3.526 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.461 1.669 -2.179 1.00 0.92 H new ATOM 0 HE ARG A 98 22.503 0.146 -3.612 1.00 1.64 H new ATOM 0 HH11 ARG A 98 19.750 1.681 -5.200 1.00 3.00 H new ATOM 0 HH12 ARG A 98 20.160 1.036 -6.793 1.00 3.00 H new ATOM 0 HH21 ARG A 98 23.025 -0.677 -5.660 1.00 2.68 H new ATOM 0 HH22 ARG A 98 22.007 -0.294 -7.053 1.00 2.68 H new ATOM 1538 N ASP A 99 18.912 3.482 -2.434 1.00 0.92 N ATOM 1539 CA ASP A 99 19.414 4.658 -3.145 1.00 1.20 C ATOM 1540 C ASP A 99 19.424 5.893 -2.255 1.00 1.03 C ATOM 1541 O ASP A 99 20.210 6.816 -2.467 1.00 1.20 O ATOM 1542 CB ASP A 99 18.585 4.931 -4.401 1.00 1.61 C ATOM 1543 CG ASP A 99 17.121 4.574 -4.231 1.00 1.71 C ATOM 1544 OD1 ASP A 99 16.818 3.374 -4.061 1.00 2.14 O ATOM 1545 OD2 ASP A 99 16.277 5.494 -4.267 1.00 2.08 O ATOM 0 H ASP A 99 18.227 2.936 -2.957 1.00 0.92 H new ATOM 0 HA ASP A 99 20.441 4.441 -3.437 1.00 1.20 H new ATOM 0 HB2 ASP A 99 18.668 5.986 -4.663 1.00 1.61 H new ATOM 0 HB3 ASP A 99 18.998 4.362 -5.234 1.00 1.61 H new ATOM 1550 N ASP A 100 18.552 5.904 -1.261 1.00 0.85 N ATOM 1551 CA ASP A 100 18.467 7.027 -0.336 1.00 0.92 C ATOM 1552 C ASP A 100 19.667 7.082 0.605 1.00 1.22 C ATOM 1553 O ASP A 100 19.824 8.032 1.370 1.00 1.38 O ATOM 1554 CB ASP A 100 17.175 6.954 0.474 1.00 0.87 C ATOM 1555 CG ASP A 100 16.243 8.116 0.196 1.00 1.32 C ATOM 1556 OD1 ASP A 100 16.192 8.571 -0.967 1.00 2.03 O ATOM 1557 OD2 ASP A 100 15.565 8.572 1.140 1.00 2.06 O ATOM 0 H ASP A 100 17.892 5.149 -1.072 1.00 0.85 H new ATOM 0 HA ASP A 100 18.469 7.939 -0.933 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.661 6.020 0.247 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.418 6.935 1.536 1.00 0.87 H new ATOM 1562 N VAL A 101 20.512 6.069 0.534 1.00 1.43 N ATOM 1563 CA VAL A 101 21.699 6.004 1.358 1.00 1.90 C ATOM 1564 C VAL A 101 22.945 5.951 0.483 1.00 2.23 C ATOM 1565 O VAL A 101 24.066 5.918 0.989 1.00 2.80 O ATOM 1566 CB VAL A 101 21.674 4.779 2.296 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.761 3.483 1.503 1.00 2.22 C ATOM 1568 CG2 VAL A 101 22.799 4.864 3.316 1.00 2.67 C ATOM 0 H VAL A 101 20.393 5.274 -0.094 1.00 1.43 H new ATOM 0 HA VAL A 101 21.721 6.903 1.973 1.00 1.90 H new ATOM 0 HB VAL A 101 20.724 4.781 2.831 1.00 2.20 H new ATOM 0 HG11 VAL A 101 21.741 2.635 2.188 1.00 2.22 H new ATOM 0 HG12 VAL A 101 20.914 3.417 0.820 1.00 2.22 H new ATOM 0 HG13 VAL A 101 22.690 3.467 0.933 1.00 2.22 H new ATOM 0 HG21 VAL A 101 22.765 3.992 3.969 1.00 2.67 H new ATOM 0 HG22 VAL A 101 23.758 4.893 2.799 1.00 2.67 H new ATOM 0 HG23 VAL A 101 22.681 5.768 3.913 1.00 2.67 H new ATOM 1578 N GLU A 102 22.747 5.947 -0.841 1.00 1.99 N ATOM 1579 CA GLU A 102 23.869 5.901 -1.762 1.00 2.40 C ATOM 1580 C GLU A 102 23.632 6.802 -2.969 1.00 2.00 C ATOM 1581 O GLU A 102 24.486 7.613 -3.325 1.00 2.49 O ATOM 1582 CB GLU A 102 24.129 4.464 -2.217 1.00 3.22 C ATOM 1583 CG GLU A 102 22.917 3.789 -2.833 1.00 3.87 C ATOM 1584 CD GLU A 102 22.826 4.007 -4.332 1.00 4.18 C ATOM 1585 OE1 GLU A 102 23.762 4.602 -4.904 1.00 4.47 O ATOM 1586 OE2 GLU A 102 21.817 3.580 -4.930 1.00 4.58 O ATOM 0 H GLU A 102 21.830 5.975 -1.286 1.00 1.99 H new ATOM 0 HA GLU A 102 24.749 6.269 -1.234 1.00 2.40 H new ATOM 0 HB2 GLU A 102 24.942 4.464 -2.943 1.00 3.22 H new ATOM 0 HB3 GLU A 102 24.465 3.877 -1.362 1.00 3.22 H new ATOM 0 HG2 GLU A 102 22.958 2.719 -2.627 1.00 3.87 H new ATOM 0 HG3 GLU A 102 22.013 4.171 -2.359 1.00 3.87 H new ATOM 1593 N ALA A 103 22.469 6.656 -3.595 1.00 1.84 N ATOM 1594 CA ALA A 103 22.127 7.462 -4.763 1.00 2.56 C ATOM 1595 C ALA A 103 20.700 7.184 -5.225 1.00 3.21 C ATOM 1596 O ALA A 103 19.779 7.878 -4.747 1.00 3.72 O ATOM 1597 CB ALA A 103 23.113 7.200 -5.891 1.00 3.26 C ATOM 1598 OXT ALA A 103 20.517 6.277 -6.064 1.00 3.79 O ATOM 0 H ALA A 103 21.749 5.990 -3.315 1.00 1.84 H new ATOM 0 HA ALA A 103 22.188 8.513 -4.480 1.00 2.56 H new ATOM 0 HB1 ALA A 103 22.846 7.807 -6.756 1.00 3.26 H new ATOM 0 HB2 ALA A 103 24.119 7.459 -5.562 1.00 3.26 H new ATOM 0 HB3 ALA A 103 23.081 6.145 -6.165 1.00 3.26 H new TER 1604 ALA A 103