USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 751 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 4 LYS NZ :NH3+ 163:sc= -0.0229 (180deg=-0.279) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 12 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0869) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 68:sc= 0.936 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00136) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 80:sc= -2.76! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= -0.504 (180deg=-0.504) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.45 USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= -0.086 (180deg=-0.137) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 39:sc= -5.2! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -140:sc= -2.37 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 160:sc= -0.556 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -145:sc= -0.0321 (180deg=-0.233) USER MOD Single : A 85 HIS : no HD1:sc= -5.95! C(o=-5.9!,f=-9.2!) USER MOD Single : A 86 TYR OH : rot 103:sc= 1.97 USER MOD Single : A 87 ASN : amide:sc= -3.56! C(o=-3.6!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 5.227 -11.585 -3.979 1.00 0.62 N ATOM 21 CA GLU A 2 3.868 -11.575 -4.506 1.00 0.43 C ATOM 22 C GLU A 2 3.272 -10.173 -4.456 1.00 0.39 C ATOM 23 O GLU A 2 2.235 -9.952 -3.831 1.00 0.56 O ATOM 24 CB GLU A 2 2.985 -12.542 -3.715 1.00 0.96 C ATOM 25 CG GLU A 2 3.602 -13.918 -3.527 1.00 1.73 C ATOM 26 CD GLU A 2 2.562 -15.021 -3.476 1.00 2.34 C ATOM 27 OE1 GLU A 2 2.209 -15.554 -4.549 1.00 2.59 O ATOM 28 OE2 GLU A 2 2.103 -15.352 -2.363 1.00 2.92 O ATOM 0 HA GLU A 2 3.909 -11.896 -5.547 1.00 0.43 H new ATOM 0 HB2 GLU A 2 2.775 -12.111 -2.736 1.00 0.96 H new ATOM 0 HB3 GLU A 2 2.029 -12.649 -4.227 1.00 0.96 H new ATOM 0 HG2 GLU A 2 4.296 -14.116 -4.344 1.00 1.73 H new ATOM 0 HG3 GLU A 2 4.183 -13.929 -2.605 1.00 1.73 H new ATOM 35 N VAL A 3 3.929 -9.229 -5.120 1.00 0.37 N ATOM 36 CA VAL A 3 3.455 -7.849 -5.151 1.00 0.36 C ATOM 37 C VAL A 3 2.669 -7.574 -6.426 1.00 0.34 C ATOM 38 O VAL A 3 3.145 -7.835 -7.531 1.00 0.49 O ATOM 39 CB VAL A 3 4.611 -6.832 -5.039 1.00 0.46 C ATOM 40 CG1 VAL A 3 4.105 -5.512 -4.478 1.00 0.47 C ATOM 41 CG2 VAL A 3 5.742 -7.382 -4.179 1.00 0.66 C ATOM 0 H VAL A 3 4.789 -9.392 -5.643 1.00 0.37 H new ATOM 0 HA VAL A 3 2.805 -7.725 -4.285 1.00 0.36 H new ATOM 0 HB VAL A 3 5.005 -6.655 -6.040 1.00 0.46 H new ATOM 0 HG11 VAL A 3 4.933 -4.806 -4.406 1.00 0.47 H new ATOM 0 HG12 VAL A 3 3.339 -5.106 -5.138 1.00 0.47 H new ATOM 0 HG13 VAL A 3 3.681 -5.676 -3.488 1.00 0.47 H new ATOM 0 HG21 VAL A 3 6.543 -6.645 -4.117 1.00 0.66 H new ATOM 0 HG22 VAL A 3 5.367 -7.596 -3.178 1.00 0.66 H new ATOM 0 HG23 VAL A 3 6.126 -8.299 -4.626 1.00 0.66 H new ATOM 51 N LYS A 4 1.457 -7.053 -6.264 1.00 0.29 N ATOM 52 CA LYS A 4 0.597 -6.759 -7.401 1.00 0.31 C ATOM 53 C LYS A 4 -0.045 -5.381 -7.264 1.00 0.30 C ATOM 54 O LYS A 4 -0.274 -4.898 -6.155 1.00 0.30 O ATOM 55 CB LYS A 4 -0.489 -7.830 -7.528 1.00 0.32 C ATOM 56 CG LYS A 4 -1.564 -7.744 -6.457 1.00 0.31 C ATOM 57 CD LYS A 4 -1.509 -8.937 -5.521 1.00 0.40 C ATOM 58 CE LYS A 4 -2.686 -8.950 -4.560 1.00 0.44 C ATOM 59 NZ LYS A 4 -3.981 -9.145 -5.268 1.00 1.09 N ATOM 0 H LYS A 4 1.050 -6.826 -5.357 1.00 0.29 H new ATOM 0 HA LYS A 4 1.213 -6.760 -8.300 1.00 0.31 H new ATOM 0 HB2 LYS A 4 -0.958 -7.744 -8.508 1.00 0.32 H new ATOM 0 HB3 LYS A 4 -0.023 -8.814 -7.483 1.00 0.32 H new ATOM 0 HG2 LYS A 4 -1.437 -6.825 -5.885 1.00 0.31 H new ATOM 0 HG3 LYS A 4 -2.546 -7.694 -6.928 1.00 0.31 H new ATOM 0 HD2 LYS A 4 -1.505 -9.858 -6.104 1.00 0.40 H new ATOM 0 HD3 LYS A 4 -0.577 -8.914 -4.956 1.00 0.40 H new ATOM 0 HE2 LYS A 4 -2.549 -9.747 -3.829 1.00 0.44 H new ATOM 0 HE3 LYS A 4 -2.713 -8.011 -4.007 1.00 0.44 H new ATOM 0 HZ1 LYS A 4 -4.710 -9.433 -4.585 1.00 1.09 H new ATOM 0 HZ2 LYS A 4 -4.266 -8.254 -5.723 1.00 1.09 H new ATOM 0 HZ3 LYS A 4 -3.873 -9.884 -5.992 1.00 1.09 H new ATOM 73 N ILE A 5 -0.339 -4.759 -8.400 1.00 0.31 N ATOM 74 CA ILE A 5 -0.969 -3.445 -8.416 1.00 0.33 C ATOM 75 C ILE A 5 -2.343 -3.513 -9.071 1.00 0.33 C ATOM 76 O ILE A 5 -2.464 -3.884 -10.239 1.00 0.42 O ATOM 77 CB ILE A 5 -0.108 -2.414 -9.168 1.00 0.45 C ATOM 78 CG1 ILE A 5 1.335 -2.455 -8.665 1.00 0.50 C ATOM 79 CG2 ILE A 5 -0.689 -1.017 -9.006 1.00 0.47 C ATOM 80 CD1 ILE A 5 1.454 -2.367 -7.159 1.00 0.80 C ATOM 0 H ILE A 5 -0.150 -5.146 -9.325 1.00 0.31 H new ATOM 0 HA ILE A 5 -1.072 -3.129 -7.378 1.00 0.33 H new ATOM 0 HB ILE A 5 -0.111 -2.668 -10.228 1.00 0.45 H new ATOM 0 HG12 ILE A 5 1.803 -3.379 -9.005 1.00 0.50 H new ATOM 0 HG13 ILE A 5 1.891 -1.632 -9.114 1.00 0.50 H new ATOM 0 HG21 ILE A 5 -0.068 -0.300 -9.544 1.00 0.47 H new ATOM 0 HG22 ILE A 5 -1.701 -0.995 -9.409 1.00 0.47 H new ATOM 0 HG23 ILE A 5 -0.714 -0.754 -7.949 1.00 0.47 H new ATOM 0 HD11 ILE A 5 2.506 -2.402 -6.874 1.00 0.80 H new ATOM 0 HD12 ILE A 5 1.016 -1.431 -6.813 1.00 0.80 H new ATOM 0 HD13 ILE A 5 0.927 -3.205 -6.703 1.00 0.80 H new ATOM 92 N GLU A 6 -3.377 -3.161 -8.317 1.00 0.29 N ATOM 93 CA GLU A 6 -4.740 -3.206 -8.835 1.00 0.34 C ATOM 94 C GLU A 6 -5.633 -2.177 -8.149 1.00 0.31 C ATOM 95 O GLU A 6 -5.406 -1.814 -6.996 1.00 0.32 O ATOM 96 CB GLU A 6 -5.329 -4.606 -8.646 1.00 0.41 C ATOM 97 CG GLU A 6 -5.215 -5.484 -9.882 1.00 0.79 C ATOM 98 CD GLU A 6 -5.763 -4.814 -11.125 1.00 1.35 C ATOM 99 OE1 GLU A 6 -6.901 -4.302 -11.072 1.00 2.00 O ATOM 100 OE2 GLU A 6 -5.055 -4.803 -12.155 1.00 1.86 O ATOM 0 H GLU A 6 -3.300 -2.843 -7.351 1.00 0.29 H new ATOM 0 HA GLU A 6 -4.699 -2.966 -9.898 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -4.822 -5.096 -7.814 1.00 0.41 H new ATOM 0 HB3 GLU A 6 -6.380 -4.515 -8.370 1.00 0.41 H new ATOM 0 HG2 GLU A 6 -4.169 -5.742 -10.044 1.00 0.79 H new ATOM 0 HG3 GLU A 6 -5.751 -6.418 -9.711 1.00 0.79 H new ATOM 107 N LYS A 7 -6.647 -1.710 -8.870 1.00 0.36 N ATOM 108 CA LYS A 7 -7.589 -0.742 -8.323 1.00 0.36 C ATOM 109 C LYS A 7 -8.957 -1.390 -8.106 1.00 0.37 C ATOM 110 O LYS A 7 -9.745 -1.515 -9.043 1.00 0.43 O ATOM 111 CB LYS A 7 -7.726 0.460 -9.261 1.00 0.42 C ATOM 112 CG LYS A 7 -6.650 1.518 -9.061 1.00 0.51 C ATOM 113 CD LYS A 7 -6.169 2.081 -10.389 1.00 0.76 C ATOM 114 CE LYS A 7 -5.535 1.004 -11.255 1.00 1.18 C ATOM 115 NZ LYS A 7 -4.473 1.557 -12.140 1.00 1.91 N ATOM 0 H LYS A 7 -6.837 -1.986 -9.833 1.00 0.36 H new ATOM 0 HA LYS A 7 -7.206 -0.398 -7.362 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -7.692 0.110 -10.293 1.00 0.42 H new ATOM 0 HB3 LYS A 7 -8.704 0.917 -9.112 1.00 0.42 H new ATOM 0 HG2 LYS A 7 -7.043 2.326 -8.443 1.00 0.51 H new ATOM 0 HG3 LYS A 7 -5.808 1.085 -8.522 1.00 0.51 H new ATOM 0 HD2 LYS A 7 -7.008 2.529 -10.921 1.00 0.76 H new ATOM 0 HD3 LYS A 7 -5.446 2.876 -10.208 1.00 0.76 H new ATOM 0 HE2 LYS A 7 -5.109 0.229 -10.617 1.00 1.18 H new ATOM 0 HE3 LYS A 7 -6.304 0.529 -11.864 1.00 1.18 H new ATOM 0 HZ1 LYS A 7 -4.066 0.791 -12.714 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 -4.884 2.278 -12.766 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 -3.726 1.988 -11.559 1.00 1.91 H new ATOM 129 N PRO A 8 -9.267 -1.801 -6.861 1.00 0.35 N ATOM 130 CA PRO A 8 -10.531 -2.472 -6.543 1.00 0.39 C ATOM 131 C PRO A 8 -11.749 -1.677 -6.998 1.00 0.51 C ATOM 132 O PRO A 8 -11.828 -0.464 -6.800 1.00 0.72 O ATOM 133 CB PRO A 8 -10.516 -2.601 -5.012 1.00 0.44 C ATOM 134 CG PRO A 8 -9.357 -1.781 -4.543 1.00 0.60 C ATOM 135 CD PRO A 8 -8.390 -1.722 -5.687 1.00 0.33 C ATOM 0 HA PRO A 8 -10.609 -3.430 -7.057 1.00 0.39 H new ATOM 0 HB2 PRO A 8 -11.450 -2.240 -4.580 1.00 0.44 H new ATOM 0 HB3 PRO A 8 -10.406 -3.642 -4.709 1.00 0.44 H new ATOM 0 HG2 PRO A 8 -9.680 -0.780 -4.256 1.00 0.60 H new ATOM 0 HG3 PRO A 8 -8.893 -2.231 -3.665 1.00 0.60 H new ATOM 0 HD2 PRO A 8 -7.809 -0.800 -5.678 1.00 0.33 H new ATOM 0 HD3 PRO A 8 -7.679 -2.547 -5.658 1.00 0.33 H new ATOM 143 N THR A 9 -12.698 -2.378 -7.611 1.00 0.48 N ATOM 144 CA THR A 9 -13.923 -1.759 -8.101 1.00 0.63 C ATOM 145 C THR A 9 -14.981 -1.721 -7.003 1.00 0.87 C ATOM 146 O THR A 9 -15.029 -2.604 -6.147 1.00 1.46 O ATOM 147 CB THR A 9 -14.454 -2.541 -9.305 1.00 0.64 C ATOM 148 OG1 THR A 9 -13.500 -3.493 -9.741 1.00 1.47 O ATOM 149 CG2 THR A 9 -14.806 -1.667 -10.487 1.00 1.31 C ATOM 0 H THR A 9 -12.640 -3.382 -7.781 1.00 0.48 H new ATOM 0 HA THR A 9 -13.698 -0.736 -8.404 1.00 0.63 H new ATOM 0 HB THR A 9 -15.366 -3.024 -8.954 1.00 0.64 H new ATOM 0 HG1 THR A 9 -13.857 -3.985 -10.510 1.00 1.47 H new ATOM 0 HG21 THR A 9 -15.175 -2.289 -11.302 1.00 1.31 H new ATOM 0 HG22 THR A 9 -15.578 -0.955 -10.196 1.00 1.31 H new ATOM 0 HG23 THR A 9 -13.919 -1.126 -10.816 1.00 1.31 H new ATOM 157 N PRO A 10 -15.859 -0.702 -7.019 1.00 0.75 N ATOM 158 CA PRO A 10 -16.929 -0.562 -6.035 1.00 1.04 C ATOM 159 C PRO A 10 -17.594 -1.897 -5.716 1.00 0.88 C ATOM 160 O PRO A 10 -18.080 -2.109 -4.605 1.00 1.00 O ATOM 161 CB PRO A 10 -17.929 0.393 -6.710 1.00 1.48 C ATOM 162 CG PRO A 10 -17.357 0.715 -8.058 1.00 1.30 C ATOM 163 CD PRO A 10 -15.893 0.388 -7.995 1.00 0.69 C ATOM 0 HA PRO A 10 -16.556 -0.192 -5.080 1.00 1.04 H new ATOM 0 HB2 PRO A 10 -18.909 -0.074 -6.805 1.00 1.48 H new ATOM 0 HB3 PRO A 10 -18.063 1.298 -6.118 1.00 1.48 H new ATOM 0 HG2 PRO A 10 -17.850 0.133 -8.837 1.00 1.30 H new ATOM 0 HG3 PRO A 10 -17.508 1.767 -8.302 1.00 1.30 H new ATOM 0 HD2 PRO A 10 -15.503 0.078 -8.965 1.00 0.69 H new ATOM 0 HD3 PRO A 10 -15.299 1.243 -7.671 1.00 0.69 H new ATOM 171 N GLU A 11 -17.598 -2.800 -6.691 1.00 0.71 N ATOM 172 CA GLU A 11 -18.189 -4.118 -6.508 1.00 0.78 C ATOM 173 C GLU A 11 -17.419 -4.912 -5.457 1.00 0.67 C ATOM 174 O GLU A 11 -18.012 -5.583 -4.612 1.00 0.75 O ATOM 175 CB GLU A 11 -18.206 -4.883 -7.833 1.00 0.84 C ATOM 176 CG GLU A 11 -19.589 -5.368 -8.239 1.00 1.27 C ATOM 177 CD GLU A 11 -20.009 -6.623 -7.498 1.00 2.11 C ATOM 178 OE1 GLU A 11 -19.122 -7.332 -6.979 1.00 2.59 O ATOM 179 OE2 GLU A 11 -21.227 -6.896 -7.438 1.00 2.71 O ATOM 0 H GLU A 11 -17.198 -2.642 -7.616 1.00 0.71 H new ATOM 0 HA GLU A 11 -19.215 -3.987 -6.163 1.00 0.78 H new ATOM 0 HB2 GLU A 11 -17.811 -4.240 -8.619 1.00 0.84 H new ATOM 0 HB3 GLU A 11 -17.538 -5.741 -7.756 1.00 0.84 H new ATOM 0 HG2 GLU A 11 -20.317 -4.579 -8.050 1.00 1.27 H new ATOM 0 HG3 GLU A 11 -19.601 -5.563 -9.311 1.00 1.27 H new ATOM 186 N LYS A 12 -16.093 -4.830 -5.518 1.00 0.56 N ATOM 187 CA LYS A 12 -15.237 -5.531 -4.570 1.00 0.53 C ATOM 188 C LYS A 12 -15.239 -4.828 -3.219 1.00 0.48 C ATOM 189 O LYS A 12 -15.061 -5.458 -2.176 1.00 0.50 O ATOM 190 CB LYS A 12 -13.808 -5.615 -5.110 1.00 0.53 C ATOM 191 CG LYS A 12 -13.639 -6.623 -6.235 1.00 0.86 C ATOM 192 CD LYS A 12 -12.646 -7.711 -5.864 1.00 0.66 C ATOM 193 CE LYS A 12 -11.213 -7.255 -6.084 1.00 0.83 C ATOM 194 NZ LYS A 12 -10.240 -8.090 -5.328 1.00 1.47 N ATOM 0 H LYS A 12 -15.588 -4.284 -6.216 1.00 0.56 H new ATOM 0 HA LYS A 12 -15.629 -6.539 -4.438 1.00 0.53 H new ATOM 0 HB2 LYS A 12 -13.505 -4.631 -5.467 1.00 0.53 H new ATOM 0 HB3 LYS A 12 -13.135 -5.878 -4.294 1.00 0.53 H new ATOM 0 HG2 LYS A 12 -14.603 -7.074 -6.469 1.00 0.86 H new ATOM 0 HG3 LYS A 12 -13.300 -6.111 -7.136 1.00 0.86 H new ATOM 0 HD2 LYS A 12 -12.784 -7.990 -4.819 1.00 0.66 H new ATOM 0 HD3 LYS A 12 -12.841 -8.602 -6.461 1.00 0.66 H new ATOM 0 HE2 LYS A 12 -10.978 -7.298 -7.148 1.00 0.83 H new ATOM 0 HE3 LYS A 12 -11.113 -6.214 -5.777 1.00 0.83 H new ATOM 0 HZ1 LYS A 12 -9.412 -7.514 -5.075 1.00 1.47 H new ATOM 0 HZ2 LYS A 12 -10.690 -8.449 -4.462 1.00 1.47 H new ATOM 0 HZ3 LYS A 12 -9.938 -8.891 -5.918 1.00 1.47 H new ATOM 208 N LEU A 13 -15.433 -3.515 -3.249 1.00 0.48 N ATOM 209 CA LEU A 13 -15.448 -2.711 -2.036 1.00 0.48 C ATOM 210 C LEU A 13 -16.596 -3.114 -1.116 1.00 0.51 C ATOM 211 O LEU A 13 -16.506 -2.964 0.100 1.00 0.50 O ATOM 212 CB LEU A 13 -15.551 -1.227 -2.387 1.00 0.60 C ATOM 213 CG LEU A 13 -14.357 -0.669 -3.165 1.00 0.61 C ATOM 214 CD1 LEU A 13 -14.539 0.818 -3.424 1.00 0.93 C ATOM 215 CD2 LEU A 13 -13.061 -0.927 -2.411 1.00 0.71 C ATOM 0 H LEU A 13 -15.583 -2.983 -4.106 1.00 0.48 H new ATOM 0 HA LEU A 13 -14.513 -2.889 -1.505 1.00 0.48 H new ATOM 0 HB2 LEU A 13 -16.456 -1.068 -2.974 1.00 0.60 H new ATOM 0 HB3 LEU A 13 -15.665 -0.657 -1.465 1.00 0.60 H new ATOM 0 HG LEU A 13 -14.302 -1.181 -4.126 1.00 0.61 H new ATOM 0 HD11 LEU A 13 -13.681 1.198 -3.978 1.00 0.93 H new ATOM 0 HD12 LEU A 13 -15.447 0.978 -4.006 1.00 0.93 H new ATOM 0 HD13 LEU A 13 -14.620 1.346 -2.474 1.00 0.93 H new ATOM 0 HD21 LEU A 13 -12.223 -0.523 -2.979 1.00 0.71 H new ATOM 0 HD22 LEU A 13 -13.105 -0.443 -1.436 1.00 0.71 H new ATOM 0 HD23 LEU A 13 -12.925 -2.000 -2.277 1.00 0.71 H new ATOM 227 N LYS A 14 -17.689 -3.599 -1.700 1.00 0.61 N ATOM 228 CA LYS A 14 -18.843 -4.009 -0.909 1.00 0.72 C ATOM 229 C LYS A 14 -18.464 -5.113 0.074 1.00 0.73 C ATOM 230 O LYS A 14 -18.745 -5.015 1.269 1.00 0.79 O ATOM 231 CB LYS A 14 -19.970 -4.491 -1.826 1.00 0.82 C ATOM 232 CG LYS A 14 -20.844 -3.366 -2.356 1.00 0.86 C ATOM 233 CD LYS A 14 -22.241 -3.417 -1.758 1.00 1.29 C ATOM 234 CE LYS A 14 -23.301 -3.581 -2.834 1.00 1.57 C ATOM 235 NZ LYS A 14 -23.563 -2.306 -3.555 1.00 2.01 N ATOM 0 H LYS A 14 -17.799 -3.716 -2.707 1.00 0.61 H new ATOM 0 HA LYS A 14 -19.189 -3.145 -0.342 1.00 0.72 H new ATOM 0 HB2 LYS A 14 -19.537 -5.031 -2.668 1.00 0.82 H new ATOM 0 HB3 LYS A 14 -20.594 -5.199 -1.280 1.00 0.82 H new ATOM 0 HG2 LYS A 14 -20.383 -2.406 -2.125 1.00 0.86 H new ATOM 0 HG3 LYS A 14 -20.909 -3.435 -3.442 1.00 0.86 H new ATOM 0 HD2 LYS A 14 -22.306 -4.245 -1.052 1.00 1.29 H new ATOM 0 HD3 LYS A 14 -22.431 -2.503 -1.195 1.00 1.29 H new ATOM 0 HE2 LYS A 14 -22.980 -4.341 -3.546 1.00 1.57 H new ATOM 0 HE3 LYS A 14 -24.226 -3.938 -2.381 1.00 1.57 H new ATOM 0 HZ1 LYS A 14 -24.292 -2.461 -4.280 1.00 2.01 H new ATOM 0 HZ2 LYS A 14 -23.893 -1.587 -2.880 1.00 2.01 H new ATOM 0 HZ3 LYS A 14 -22.687 -1.978 -4.009 1.00 2.01 H new ATOM 249 N GLU A 15 -17.810 -6.155 -0.431 1.00 0.72 N ATOM 250 CA GLU A 15 -17.360 -7.259 0.413 1.00 0.79 C ATOM 251 C GLU A 15 -16.057 -6.898 1.117 1.00 0.73 C ATOM 252 O GLU A 15 -15.813 -7.300 2.255 1.00 0.77 O ATOM 253 CB GLU A 15 -17.167 -8.526 -0.425 1.00 0.85 C ATOM 254 CG GLU A 15 -18.456 -9.289 -0.682 1.00 1.40 C ATOM 255 CD GLU A 15 -18.384 -10.730 -0.218 1.00 1.73 C ATOM 256 OE1 GLU A 15 -17.606 -11.015 0.716 1.00 1.86 O ATOM 257 OE2 GLU A 15 -19.105 -11.575 -0.790 1.00 2.35 O ATOM 0 H GLU A 15 -17.580 -6.259 -1.419 1.00 0.72 H new ATOM 0 HA GLU A 15 -18.125 -7.447 1.167 1.00 0.79 H new ATOM 0 HB2 GLU A 15 -16.719 -8.254 -1.381 1.00 0.85 H new ATOM 0 HB3 GLU A 15 -16.461 -9.183 0.083 1.00 0.85 H new ATOM 0 HG2 GLU A 15 -19.278 -8.788 -0.171 1.00 1.40 H new ATOM 0 HG3 GLU A 15 -18.681 -9.266 -1.748 1.00 1.40 H new ATOM 264 N LEU A 16 -15.221 -6.143 0.414 1.00 0.68 N ATOM 265 CA LEU A 16 -13.922 -5.721 0.927 1.00 0.64 C ATOM 266 C LEU A 16 -14.008 -4.382 1.654 1.00 0.55 C ATOM 267 O LEU A 16 -12.992 -3.707 1.815 1.00 0.51 O ATOM 268 CB LEU A 16 -12.910 -5.625 -0.217 1.00 0.68 C ATOM 269 CG LEU A 16 -12.585 -6.952 -0.904 1.00 0.99 C ATOM 270 CD1 LEU A 16 -11.956 -6.707 -2.266 1.00 1.21 C ATOM 271 CD2 LEU A 16 -11.666 -7.793 -0.033 1.00 1.54 C ATOM 0 H LEU A 16 -15.424 -5.806 -0.527 1.00 0.68 H new ATOM 0 HA LEU A 16 -13.593 -6.472 1.645 1.00 0.64 H new ATOM 0 HB2 LEU A 16 -13.294 -4.930 -0.964 1.00 0.68 H new ATOM 0 HB3 LEU A 16 -11.985 -5.198 0.171 1.00 0.68 H new ATOM 0 HG LEU A 16 -13.515 -7.501 -1.050 1.00 0.99 H new ATOM 0 HD11 LEU A 16 -11.731 -7.662 -2.740 1.00 1.21 H new ATOM 0 HD12 LEU A 16 -12.650 -6.146 -2.892 1.00 1.21 H new ATOM 0 HD13 LEU A 16 -11.035 -6.137 -2.144 1.00 1.21 H new ATOM 0 HD21 LEU A 16 -11.446 -8.733 -0.538 1.00 1.54 H new ATOM 0 HD22 LEU A 16 -10.737 -7.251 0.146 1.00 1.54 H new ATOM 0 HD23 LEU A 16 -12.155 -7.999 0.919 1.00 1.54 H new ATOM 283 N SER A 17 -15.234 -3.973 2.019 1.00 0.55 N ATOM 284 CA SER A 17 -15.495 -2.674 2.663 1.00 0.51 C ATOM 285 C SER A 17 -14.300 -2.152 3.455 1.00 0.44 C ATOM 286 O SER A 17 -14.168 -2.403 4.653 1.00 0.47 O ATOM 287 CB SER A 17 -16.703 -2.789 3.595 1.00 0.57 C ATOM 288 OG SER A 17 -17.881 -3.094 2.869 1.00 0.72 O ATOM 0 H SER A 17 -16.074 -4.534 1.876 1.00 0.55 H new ATOM 0 HA SER A 17 -15.693 -1.962 1.862 1.00 0.51 H new ATOM 0 HB2 SER A 17 -16.520 -3.564 4.339 1.00 0.57 H new ATOM 0 HB3 SER A 17 -16.838 -1.853 4.137 1.00 0.57 H new ATOM 0 HG SER A 17 -17.817 -4.003 2.508 1.00 0.72 H new ATOM 294 N VAL A 18 -13.438 -1.418 2.761 1.00 0.41 N ATOM 295 CA VAL A 18 -12.254 -0.833 3.368 1.00 0.39 C ATOM 296 C VAL A 18 -12.624 0.322 4.292 1.00 0.41 C ATOM 297 O VAL A 18 -11.847 0.707 5.167 1.00 0.63 O ATOM 298 CB VAL A 18 -11.276 -0.330 2.291 1.00 0.45 C ATOM 299 CG1 VAL A 18 -9.913 -0.040 2.895 1.00 1.10 C ATOM 300 CG2 VAL A 18 -11.163 -1.343 1.162 1.00 0.52 C ATOM 0 H VAL A 18 -13.541 -1.214 1.767 1.00 0.41 H new ATOM 0 HA VAL A 18 -11.770 -1.615 3.954 1.00 0.39 H new ATOM 0 HB VAL A 18 -11.666 0.601 1.879 1.00 0.45 H new ATOM 0 HG11 VAL A 18 -9.238 0.314 2.116 1.00 1.10 H new ATOM 0 HG12 VAL A 18 -10.012 0.725 3.665 1.00 1.10 H new ATOM 0 HG13 VAL A 18 -9.510 -0.951 3.338 1.00 1.10 H new ATOM 0 HG21 VAL A 18 -10.468 -0.972 0.409 1.00 0.52 H new ATOM 0 HG22 VAL A 18 -10.797 -2.290 1.558 1.00 0.52 H new ATOM 0 HG23 VAL A 18 -12.143 -1.493 0.709 1.00 0.52 H new ATOM 310 N GLU A 19 -13.819 0.868 4.095 1.00 0.44 N ATOM 311 CA GLU A 19 -14.310 1.970 4.910 1.00 0.47 C ATOM 312 C GLU A 19 -14.174 1.659 6.396 1.00 0.44 C ATOM 313 O GLU A 19 -13.948 2.553 7.211 1.00 0.53 O ATOM 314 CB GLU A 19 -15.777 2.236 4.577 1.00 0.51 C ATOM 315 CG GLU A 19 -16.580 0.961 4.360 1.00 0.50 C ATOM 316 CD GLU A 19 -17.940 1.007 5.030 1.00 0.81 C ATOM 317 OE1 GLU A 19 -18.693 1.970 4.779 1.00 1.39 O ATOM 318 OE2 GLU A 19 -18.250 0.078 5.805 1.00 1.36 O ATOM 0 H GLU A 19 -14.469 0.561 3.371 1.00 0.44 H new ATOM 0 HA GLU A 19 -13.711 2.853 4.689 1.00 0.47 H new ATOM 0 HB2 GLU A 19 -16.229 2.810 5.386 1.00 0.51 H new ATOM 0 HB3 GLU A 19 -15.834 2.852 3.679 1.00 0.51 H new ATOM 0 HG2 GLU A 19 -16.711 0.796 3.291 1.00 0.50 H new ATOM 0 HG3 GLU A 19 -16.017 0.111 4.747 1.00 0.50 H new ATOM 325 N LYS A 20 -14.341 0.388 6.740 1.00 0.38 N ATOM 326 CA LYS A 20 -14.267 -0.043 8.133 1.00 0.38 C ATOM 327 C LYS A 20 -12.835 -0.378 8.556 1.00 0.34 C ATOM 328 O LYS A 20 -12.598 -0.761 9.702 1.00 0.39 O ATOM 329 CB LYS A 20 -15.179 -1.255 8.366 1.00 0.42 C ATOM 330 CG LYS A 20 -15.183 -2.260 7.224 1.00 0.51 C ATOM 331 CD LYS A 20 -15.857 -3.560 7.630 1.00 0.54 C ATOM 332 CE LYS A 20 -17.333 -3.353 7.929 1.00 1.69 C ATOM 333 NZ LYS A 20 -17.603 -3.313 9.393 1.00 2.00 N ATOM 0 H LYS A 20 -14.528 -0.363 6.075 1.00 0.38 H new ATOM 0 HA LYS A 20 -14.607 0.791 8.747 1.00 0.38 H new ATOM 0 HB2 LYS A 20 -14.866 -1.761 9.279 1.00 0.42 H new ATOM 0 HB3 LYS A 20 -16.198 -0.903 8.529 1.00 0.42 H new ATOM 0 HG2 LYS A 20 -15.700 -1.834 6.364 1.00 0.51 H new ATOM 0 HG3 LYS A 20 -14.158 -2.462 6.912 1.00 0.51 H new ATOM 0 HD2 LYS A 20 -15.746 -4.293 6.831 1.00 0.54 H new ATOM 0 HD3 LYS A 20 -15.360 -3.969 8.510 1.00 0.54 H new ATOM 0 HE2 LYS A 20 -17.669 -2.422 7.472 1.00 1.69 H new ATOM 0 HE3 LYS A 20 -17.912 -4.157 7.475 1.00 1.69 H new ATOM 0 HZ1 LYS A 20 -18.620 -3.170 9.555 1.00 2.00 H new ATOM 0 HZ2 LYS A 20 -17.306 -4.211 9.825 1.00 2.00 H new ATOM 0 HZ3 LYS A 20 -17.071 -2.529 9.823 1.00 2.00 H new ATOM 347 N TRP A 21 -11.879 -0.230 7.639 1.00 0.31 N ATOM 348 CA TRP A 21 -10.483 -0.519 7.946 1.00 0.32 C ATOM 349 C TRP A 21 -9.768 0.729 8.458 1.00 0.31 C ATOM 350 O TRP A 21 -10.253 1.846 8.281 1.00 0.39 O ATOM 351 CB TRP A 21 -9.762 -1.057 6.707 1.00 0.35 C ATOM 352 CG TRP A 21 -10.466 -2.208 6.050 1.00 0.33 C ATOM 353 CD1 TRP A 21 -11.661 -2.758 6.417 1.00 0.34 C ATOM 354 CD2 TRP A 21 -10.020 -2.950 4.906 1.00 0.35 C ATOM 355 NE1 TRP A 21 -11.986 -3.790 5.573 1.00 0.36 N ATOM 356 CE2 TRP A 21 -10.998 -3.926 4.635 1.00 0.37 C ATOM 357 CE3 TRP A 21 -8.897 -2.873 4.075 1.00 0.39 C ATOM 358 CZ2 TRP A 21 -10.880 -4.826 3.577 1.00 0.43 C ATOM 359 CZ3 TRP A 21 -8.781 -3.766 3.026 1.00 0.44 C ATOM 360 CH2 TRP A 21 -9.768 -4.731 2.786 1.00 0.46 C ATOM 0 H TRP A 21 -12.046 0.086 6.684 1.00 0.31 H new ATOM 0 HA TRP A 21 -10.462 -1.278 8.728 1.00 0.32 H new ATOM 0 HB2 TRP A 21 -9.651 -0.250 5.983 1.00 0.35 H new ATOM 0 HB3 TRP A 21 -8.757 -1.371 6.990 1.00 0.35 H new ATOM 0 HD1 TRP A 21 -12.263 -2.428 7.251 1.00 0.34 H new ATOM 0 HE1 TRP A 21 -12.828 -4.363 5.635 1.00 0.36 H new ATOM 0 HE3 TRP A 21 -8.134 -2.129 4.250 1.00 0.39 H new ATOM 0 HZ2 TRP A 21 -11.639 -5.571 3.389 1.00 0.43 H new ATOM 0 HZ3 TRP A 21 -7.916 -3.719 2.381 1.00 0.44 H new ATOM 0 HH2 TRP A 21 -9.648 -5.415 1.959 1.00 0.46 H new ATOM 371 N PRO A 22 -8.594 0.558 9.095 1.00 0.34 N ATOM 372 CA PRO A 22 -7.813 1.682 9.618 1.00 0.39 C ATOM 373 C PRO A 22 -7.478 2.699 8.533 1.00 0.34 C ATOM 374 O PRO A 22 -7.687 2.447 7.346 1.00 0.48 O ATOM 375 CB PRO A 22 -6.528 1.030 10.138 1.00 0.51 C ATOM 376 CG PRO A 22 -6.871 -0.403 10.351 1.00 0.42 C ATOM 377 CD PRO A 22 -7.939 -0.738 9.345 1.00 0.45 C ATOM 0 HA PRO A 22 -8.363 2.232 10.381 1.00 0.39 H new ATOM 0 HB2 PRO A 22 -5.715 1.137 9.420 1.00 0.51 H new ATOM 0 HB3 PRO A 22 -6.198 1.497 11.066 1.00 0.51 H new ATOM 0 HG2 PRO A 22 -5.995 -1.037 10.213 1.00 0.42 H new ATOM 0 HG3 PRO A 22 -7.228 -0.570 11.367 1.00 0.42 H new ATOM 0 HD2 PRO A 22 -7.514 -1.156 8.432 1.00 0.45 H new ATOM 0 HD3 PRO A 22 -8.642 -1.474 9.735 1.00 0.45 H new ATOM 385 N ILE A 23 -6.945 3.844 8.944 1.00 0.38 N ATOM 386 CA ILE A 23 -6.560 4.885 8.001 1.00 0.36 C ATOM 387 C ILE A 23 -5.200 5.475 8.366 1.00 0.31 C ATOM 388 O ILE A 23 -4.901 5.691 9.541 1.00 0.32 O ATOM 389 CB ILE A 23 -7.619 6.011 7.925 1.00 0.47 C ATOM 390 CG1 ILE A 23 -7.419 6.835 6.651 1.00 1.15 C ATOM 391 CG2 ILE A 23 -7.561 6.911 9.153 1.00 0.97 C ATOM 392 CD1 ILE A 23 -8.680 6.993 5.830 1.00 1.60 C ATOM 0 H ILE A 23 -6.770 4.074 9.922 1.00 0.38 H new ATOM 0 HA ILE A 23 -6.492 4.417 7.019 1.00 0.36 H new ATOM 0 HB ILE A 23 -8.605 5.547 7.899 1.00 0.47 H new ATOM 0 HG12 ILE A 23 -7.045 7.822 6.921 1.00 1.15 H new ATOM 0 HG13 ILE A 23 -6.653 6.361 6.038 1.00 1.15 H new ATOM 0 HG21 ILE A 23 -8.317 7.691 9.068 1.00 0.97 H new ATOM 0 HG22 ILE A 23 -7.750 6.318 10.048 1.00 0.97 H new ATOM 0 HG23 ILE A 23 -6.574 7.368 9.223 1.00 0.97 H new ATOM 0 HD11 ILE A 23 -8.464 7.588 4.942 1.00 1.60 H new ATOM 0 HD12 ILE A 23 -9.044 6.011 5.529 1.00 1.60 H new ATOM 0 HD13 ILE A 23 -9.442 7.495 6.426 1.00 1.60 H new ATOM 404 N TRP A 24 -4.388 5.741 7.353 1.00 0.31 N ATOM 405 CA TRP A 24 -3.064 6.309 7.566 1.00 0.31 C ATOM 406 C TRP A 24 -2.919 7.623 6.813 1.00 0.31 C ATOM 407 O TRP A 24 -3.536 7.818 5.773 1.00 0.44 O ATOM 408 CB TRP A 24 -1.985 5.326 7.105 1.00 0.38 C ATOM 409 CG TRP A 24 -0.709 5.437 7.881 1.00 0.38 C ATOM 410 CD1 TRP A 24 -0.577 5.473 9.239 1.00 0.47 C ATOM 411 CD2 TRP A 24 0.618 5.531 7.346 1.00 0.44 C ATOM 412 NE1 TRP A 24 0.748 5.582 9.582 1.00 0.55 N ATOM 413 CE2 TRP A 24 1.502 5.619 8.438 1.00 0.51 C ATOM 414 CE3 TRP A 24 1.143 5.548 6.051 1.00 0.55 C ATOM 415 CZ2 TRP A 24 2.881 5.723 8.274 1.00 0.61 C ATOM 416 CZ3 TRP A 24 2.512 5.651 5.889 1.00 0.66 C ATOM 417 CH2 TRP A 24 3.368 5.738 6.995 1.00 0.66 C ATOM 0 H TRP A 24 -4.623 5.573 6.375 1.00 0.31 H new ATOM 0 HA TRP A 24 -2.941 6.500 8.632 1.00 0.31 H new ATOM 0 HB2 TRP A 24 -2.368 4.309 7.194 1.00 0.38 H new ATOM 0 HB3 TRP A 24 -1.776 5.497 6.049 1.00 0.38 H new ATOM 0 HD1 TRP A 24 -1.396 5.423 9.942 1.00 0.47 H new ATOM 0 HE1 TRP A 24 1.112 5.628 10.534 1.00 0.55 H new ATOM 0 HE3 TRP A 24 0.491 5.482 5.192 1.00 0.55 H new ATOM 0 HZ2 TRP A 24 3.542 5.789 9.125 1.00 0.61 H new ATOM 0 HZ3 TRP A 24 2.929 5.665 4.893 1.00 0.66 H new ATOM 0 HH2 TRP A 24 4.433 5.818 6.835 1.00 0.66 H new ATOM 428 N GLU A 25 -2.110 8.526 7.354 1.00 0.34 N ATOM 429 CA GLU A 25 -1.871 9.816 6.717 1.00 0.36 C ATOM 430 C GLU A 25 -0.374 10.033 6.523 1.00 0.37 C ATOM 431 O GLU A 25 0.423 9.692 7.396 1.00 0.42 O ATOM 432 CB GLU A 25 -2.466 10.953 7.555 1.00 0.39 C ATOM 433 CG GLU A 25 -2.463 10.680 9.050 1.00 0.98 C ATOM 434 CD GLU A 25 -2.764 11.921 9.868 1.00 1.52 C ATOM 435 OE1 GLU A 25 -3.709 12.654 9.507 1.00 2.05 O ATOM 436 OE2 GLU A 25 -2.057 12.158 10.870 1.00 1.91 O ATOM 0 H GLU A 25 -1.609 8.389 8.232 1.00 0.34 H new ATOM 0 HA GLU A 25 -2.360 9.816 5.743 1.00 0.36 H new ATOM 0 HB2 GLU A 25 -1.905 11.867 7.361 1.00 0.39 H new ATOM 0 HB3 GLU A 25 -3.491 11.133 7.230 1.00 0.39 H new ATOM 0 HG2 GLU A 25 -3.202 9.911 9.277 1.00 0.98 H new ATOM 0 HG3 GLU A 25 -1.490 10.284 9.342 1.00 0.98 H new ATOM 443 N LYS A 26 0.014 10.574 5.370 1.00 0.39 N ATOM 444 CA LYS A 26 1.429 10.775 5.085 1.00 0.44 C ATOM 445 C LYS A 26 1.678 11.900 4.086 1.00 0.40 C ATOM 446 O LYS A 26 1.151 11.893 2.974 1.00 0.44 O ATOM 447 CB LYS A 26 2.042 9.478 4.554 1.00 0.51 C ATOM 448 CG LYS A 26 3.562 9.494 4.515 1.00 0.58 C ATOM 449 CD LYS A 26 4.153 9.655 5.905 1.00 1.19 C ATOM 450 CE LYS A 26 4.978 10.927 6.016 1.00 1.62 C ATOM 451 NZ LYS A 26 4.661 11.688 7.256 1.00 2.39 N ATOM 0 H LYS A 26 -0.621 10.876 4.631 1.00 0.39 H new ATOM 0 HA LYS A 26 1.902 11.064 6.023 1.00 0.44 H new ATOM 0 HB2 LYS A 26 1.712 8.648 5.178 1.00 0.51 H new ATOM 0 HB3 LYS A 26 1.663 9.292 3.549 1.00 0.51 H new ATOM 0 HG2 LYS A 26 3.925 8.568 4.069 1.00 0.58 H new ATOM 0 HG3 LYS A 26 3.902 10.310 3.877 1.00 0.58 H new ATOM 0 HD2 LYS A 26 3.351 9.675 6.643 1.00 1.19 H new ATOM 0 HD3 LYS A 26 4.778 8.793 6.138 1.00 1.19 H new ATOM 0 HE2 LYS A 26 6.038 10.674 6.006 1.00 1.62 H new ATOM 0 HE3 LYS A 26 4.793 11.557 5.146 1.00 1.62 H new ATOM 0 HZ1 LYS A 26 5.256 12.539 7.303 1.00 2.39 H new ATOM 0 HZ2 LYS A 26 3.659 11.966 7.246 1.00 2.39 H new ATOM 0 HZ3 LYS A 26 4.846 11.090 8.087 1.00 2.39 H new ATOM 465 N GLU A 27 2.538 12.834 4.481 1.00 0.49 N ATOM 466 CA GLU A 27 2.964 13.922 3.609 1.00 0.49 C ATOM 467 C GLU A 27 3.922 13.381 2.567 1.00 0.44 C ATOM 468 O GLU A 27 4.434 12.276 2.721 1.00 0.77 O ATOM 469 CB GLU A 27 3.629 15.037 4.417 1.00 0.72 C ATOM 470 CG GLU A 27 4.913 14.605 5.107 1.00 1.25 C ATOM 471 CD GLU A 27 5.935 15.723 5.191 1.00 1.93 C ATOM 472 OE1 GLU A 27 5.645 16.831 4.693 1.00 2.64 O ATOM 473 OE2 GLU A 27 7.026 15.489 5.754 1.00 2.20 O ATOM 0 H GLU A 27 2.957 12.858 5.411 1.00 0.49 H new ATOM 0 HA GLU A 27 2.090 14.344 3.114 1.00 0.49 H new ATOM 0 HB2 GLU A 27 3.846 15.875 3.754 1.00 0.72 H new ATOM 0 HB3 GLU A 27 2.927 15.399 5.168 1.00 0.72 H new ATOM 0 HG2 GLU A 27 4.680 14.254 6.112 1.00 1.25 H new ATOM 0 HG3 GLU A 27 5.345 13.762 4.567 1.00 1.25 H new ATOM 480 N VAL A 28 4.075 14.114 1.470 1.00 0.34 N ATOM 481 CA VAL A 28 4.907 13.689 0.338 1.00 0.26 C ATOM 482 C VAL A 28 6.395 13.456 0.709 1.00 0.28 C ATOM 483 O VAL A 28 7.298 14.019 0.090 1.00 0.43 O ATOM 484 CB VAL A 28 4.803 14.726 -0.803 1.00 0.29 C ATOM 485 CG1 VAL A 28 3.358 15.143 -1.005 1.00 0.37 C ATOM 486 CG2 VAL A 28 5.665 15.948 -0.535 1.00 1.00 C ATOM 0 H VAL A 28 3.628 15.021 1.335 1.00 0.34 H new ATOM 0 HA VAL A 28 4.520 12.723 0.014 1.00 0.26 H new ATOM 0 HB VAL A 28 5.172 14.251 -1.712 1.00 0.29 H new ATOM 0 HG11 VAL A 28 3.300 15.874 -1.812 1.00 0.37 H new ATOM 0 HG12 VAL A 28 2.760 14.269 -1.263 1.00 0.37 H new ATOM 0 HG13 VAL A 28 2.975 15.586 -0.086 1.00 0.37 H new ATOM 0 HG21 VAL A 28 5.564 16.653 -1.360 1.00 1.00 H new ATOM 0 HG22 VAL A 28 5.343 16.425 0.391 1.00 1.00 H new ATOM 0 HG23 VAL A 28 6.708 15.645 -0.443 1.00 1.00 H new ATOM 496 N SER A 29 6.644 12.672 1.753 1.00 0.29 N ATOM 497 CA SER A 29 8.003 12.365 2.183 1.00 0.40 C ATOM 498 C SER A 29 8.486 11.047 1.589 1.00 0.35 C ATOM 499 O SER A 29 7.910 10.538 0.628 1.00 0.35 O ATOM 500 CB SER A 29 8.066 12.305 3.710 1.00 0.56 C ATOM 501 OG SER A 29 9.115 13.116 4.211 1.00 1.09 O ATOM 0 H SER A 29 5.917 12.235 2.320 1.00 0.29 H new ATOM 0 HA SER A 29 8.659 13.158 1.824 1.00 0.40 H new ATOM 0 HB2 SER A 29 7.115 12.635 4.129 1.00 0.56 H new ATOM 0 HB3 SER A 29 8.215 11.274 4.030 1.00 0.56 H new ATOM 0 HG SER A 29 9.132 13.061 5.189 1.00 1.09 H new ATOM 507 N GLU A 30 9.514 10.472 2.209 1.00 0.42 N ATOM 508 CA GLU A 30 10.020 9.171 1.802 1.00 0.41 C ATOM 509 C GLU A 30 10.538 8.407 3.014 1.00 0.50 C ATOM 510 O GLU A 30 11.392 8.896 3.752 1.00 0.70 O ATOM 511 CB GLU A 30 11.127 9.337 0.761 1.00 0.61 C ATOM 512 CG GLU A 30 10.758 10.291 -0.363 1.00 0.76 C ATOM 513 CD GLU A 30 11.566 10.051 -1.623 1.00 1.14 C ATOM 514 OE1 GLU A 30 12.154 8.955 -1.751 1.00 1.70 O ATOM 515 OE2 GLU A 30 11.613 10.957 -2.480 1.00 1.60 O ATOM 0 H GLU A 30 10.011 10.890 2.996 1.00 0.42 H new ATOM 0 HA GLU A 30 9.206 8.601 1.354 1.00 0.41 H new ATOM 0 HB2 GLU A 30 12.029 9.700 1.255 1.00 0.61 H new ATOM 0 HB3 GLU A 30 11.366 8.362 0.337 1.00 0.61 H new ATOM 0 HG2 GLU A 30 9.697 10.185 -0.591 1.00 0.76 H new ATOM 0 HG3 GLU A 30 10.911 11.317 -0.028 1.00 0.76 H new ATOM 522 N PHE A 31 9.996 7.212 3.225 1.00 0.46 N ATOM 523 CA PHE A 31 10.383 6.383 4.362 1.00 0.63 C ATOM 524 C PHE A 31 10.779 4.978 3.927 1.00 0.58 C ATOM 525 O PHE A 31 10.232 4.437 2.967 1.00 0.48 O ATOM 526 CB PHE A 31 9.244 6.309 5.383 1.00 0.83 C ATOM 527 CG PHE A 31 7.872 6.355 4.769 1.00 0.84 C ATOM 528 CD1 PHE A 31 7.387 7.527 4.212 1.00 0.79 C ATOM 529 CD2 PHE A 31 7.071 5.224 4.748 1.00 1.70 C ATOM 530 CE1 PHE A 31 6.127 7.571 3.647 1.00 1.49 C ATOM 531 CE2 PHE A 31 5.810 5.263 4.185 1.00 2.52 C ATOM 532 CZ PHE A 31 5.337 6.440 3.634 1.00 2.40 C ATOM 0 H PHE A 31 9.286 6.795 2.623 1.00 0.46 H new ATOM 0 HA PHE A 31 11.253 6.851 4.824 1.00 0.63 H new ATOM 0 HB2 PHE A 31 9.344 5.388 5.958 1.00 0.83 H new ATOM 0 HB3 PHE A 31 9.345 7.136 6.086 1.00 0.83 H new ATOM 0 HD1 PHE A 31 8.000 8.416 4.220 1.00 0.79 H new ATOM 0 HD2 PHE A 31 7.437 4.302 5.176 1.00 1.70 H new ATOM 0 HE1 PHE A 31 5.760 8.491 3.216 1.00 1.49 H new ATOM 0 HE2 PHE A 31 5.194 4.376 4.175 1.00 2.52 H new ATOM 0 HZ PHE A 31 4.351 6.474 3.194 1.00 2.40 H new ATOM 542 N ASP A 32 11.702 4.373 4.667 1.00 0.73 N ATOM 543 CA ASP A 32 12.109 3.000 4.400 1.00 0.74 C ATOM 544 C ASP A 32 11.071 2.037 4.968 1.00 0.90 C ATOM 545 O ASP A 32 10.613 2.206 6.098 1.00 1.42 O ATOM 546 CB ASP A 32 13.482 2.719 5.016 1.00 1.06 C ATOM 547 CG ASP A 32 13.559 3.136 6.472 1.00 2.02 C ATOM 548 OD1 ASP A 32 13.110 2.356 7.338 1.00 2.36 O ATOM 549 OD2 ASP A 32 14.070 4.242 6.746 1.00 2.89 O ATOM 0 H ASP A 32 12.181 4.811 5.454 1.00 0.73 H new ATOM 0 HA ASP A 32 12.180 2.856 3.322 1.00 0.74 H new ATOM 0 HB2 ASP A 32 13.703 1.655 4.934 1.00 1.06 H new ATOM 0 HB3 ASP A 32 14.247 3.249 4.448 1.00 1.06 H new ATOM 554 N TRP A 33 10.685 1.040 4.179 1.00 0.63 N ATOM 555 CA TRP A 33 9.660 0.093 4.608 1.00 0.93 C ATOM 556 C TRP A 33 10.222 -1.314 4.767 1.00 0.61 C ATOM 557 O TRP A 33 11.004 -1.785 3.942 1.00 0.45 O ATOM 558 CB TRP A 33 8.506 0.078 3.605 1.00 1.36 C ATOM 559 CG TRP A 33 7.249 -0.534 4.149 1.00 1.58 C ATOM 560 CD1 TRP A 33 6.770 -0.428 5.422 1.00 2.21 C ATOM 561 CD2 TRP A 33 6.308 -1.342 3.432 1.00 1.38 C ATOM 562 NE1 TRP A 33 5.591 -1.123 5.543 1.00 2.32 N ATOM 563 CE2 TRP A 33 5.286 -1.692 4.334 1.00 1.76 C ATOM 564 CE3 TRP A 33 6.233 -1.804 2.115 1.00 1.34 C ATOM 565 CZ2 TRP A 33 4.201 -2.482 3.960 1.00 1.72 C ATOM 566 CZ3 TRP A 33 5.156 -2.589 1.745 1.00 1.52 C ATOM 567 CH2 TRP A 33 4.154 -2.921 2.663 1.00 1.51 C ATOM 0 H TRP A 33 11.062 0.867 3.247 1.00 0.63 H new ATOM 0 HA TRP A 33 9.296 0.421 5.582 1.00 0.93 H new ATOM 0 HB2 TRP A 33 8.296 1.100 3.289 1.00 1.36 H new ATOM 0 HB3 TRP A 33 8.814 -0.473 2.717 1.00 1.36 H new ATOM 0 HD1 TRP A 33 7.248 0.122 6.219 1.00 2.21 H new ATOM 0 HE1 TRP A 33 5.034 -1.203 6.394 1.00 2.32 H new ATOM 0 HE3 TRP A 33 7.002 -1.553 1.399 1.00 1.34 H new ATOM 0 HZ2 TRP A 33 3.426 -2.739 4.666 1.00 1.72 H new ATOM 0 HZ3 TRP A 33 5.087 -2.952 0.730 1.00 1.52 H new ATOM 0 HH2 TRP A 33 3.326 -3.536 2.343 1.00 1.51 H new ATOM 578 N TYR A 34 9.799 -1.983 5.835 1.00 0.69 N ATOM 579 CA TYR A 34 10.222 -3.349 6.112 1.00 0.52 C ATOM 580 C TYR A 34 9.015 -4.210 6.461 1.00 0.54 C ATOM 581 O TYR A 34 8.306 -3.937 7.429 1.00 0.68 O ATOM 582 CB TYR A 34 11.232 -3.374 7.260 1.00 0.70 C ATOM 583 CG TYR A 34 11.752 -4.757 7.578 1.00 0.67 C ATOM 584 CD1 TYR A 34 10.931 -5.709 8.168 1.00 0.78 C ATOM 585 CD2 TYR A 34 13.064 -5.109 7.290 1.00 0.86 C ATOM 586 CE1 TYR A 34 11.402 -6.975 8.461 1.00 0.87 C ATOM 587 CE2 TYR A 34 13.544 -6.373 7.579 1.00 0.98 C ATOM 588 CZ TYR A 34 12.707 -7.303 8.161 1.00 0.88 C ATOM 589 OH TYR A 34 13.183 -8.559 8.454 1.00 1.07 O ATOM 0 H TYR A 34 9.158 -1.596 6.528 1.00 0.69 H new ATOM 0 HA TYR A 34 10.700 -3.752 5.219 1.00 0.52 H new ATOM 0 HB2 TYR A 34 12.073 -2.728 7.007 1.00 0.70 H new ATOM 0 HB3 TYR A 34 10.766 -2.956 8.152 1.00 0.70 H new ATOM 0 HD1 TYR A 34 9.907 -5.456 8.402 1.00 0.78 H new ATOM 0 HD2 TYR A 34 13.720 -4.383 6.833 1.00 0.86 H new ATOM 0 HE1 TYR A 34 10.751 -7.703 8.922 1.00 0.87 H new ATOM 0 HE2 TYR A 34 14.568 -6.631 7.351 1.00 0.98 H new ATOM 0 HH TYR A 34 14.121 -8.626 8.178 1.00 1.07 H new ATOM 599 N TYR A 35 8.772 -5.238 5.656 1.00 0.46 N ATOM 600 CA TYR A 35 7.625 -6.110 5.864 1.00 0.52 C ATOM 601 C TYR A 35 7.909 -7.175 6.917 1.00 0.55 C ATOM 602 O TYR A 35 9.064 -7.488 7.207 1.00 0.73 O ATOM 603 CB TYR A 35 7.221 -6.774 4.549 1.00 0.51 C ATOM 604 CG TYR A 35 5.730 -6.838 4.350 1.00 0.79 C ATOM 605 CD1 TYR A 35 4.994 -5.691 4.095 1.00 1.33 C ATOM 606 CD2 TYR A 35 5.062 -8.050 4.403 1.00 1.06 C ATOM 607 CE1 TYR A 35 3.628 -5.750 3.906 1.00 1.67 C ATOM 608 CE2 TYR A 35 3.698 -8.119 4.214 1.00 1.31 C ATOM 609 CZ TYR A 35 2.979 -6.945 4.009 1.00 1.50 C ATOM 610 OH TYR A 35 1.627 -7.029 3.782 1.00 1.87 O ATOM 0 H TYR A 35 9.353 -5.487 4.855 1.00 0.46 H new ATOM 0 HA TYR A 35 6.804 -5.492 6.226 1.00 0.52 H new ATOM 0 HB2 TYR A 35 7.668 -6.225 3.720 1.00 0.51 H new ATOM 0 HB3 TYR A 35 7.629 -7.784 4.519 1.00 0.51 H new ATOM 0 HD1 TYR A 35 5.497 -4.737 4.043 1.00 1.33 H new ATOM 0 HD2 TYR A 35 5.618 -8.955 4.595 1.00 1.06 H new ATOM 0 HE1 TYR A 35 3.074 -4.852 3.677 1.00 1.67 H new ATOM 0 HE2 TYR A 35 3.193 -9.074 4.225 1.00 1.31 H new ATOM 0 HH TYR A 35 1.458 -7.050 2.817 1.00 1.87 H new ATOM 620 N ASP A 36 6.840 -7.730 7.483 1.00 0.56 N ATOM 621 CA ASP A 36 6.959 -8.762 8.508 1.00 0.68 C ATOM 622 C ASP A 36 5.581 -9.269 8.931 1.00 0.67 C ATOM 623 O ASP A 36 5.359 -9.589 10.099 1.00 0.88 O ATOM 624 CB ASP A 36 7.707 -8.214 9.725 1.00 0.85 C ATOM 625 CG ASP A 36 7.042 -6.982 10.305 1.00 1.30 C ATOM 626 OD1 ASP A 36 7.163 -5.899 9.696 1.00 2.12 O ATOM 627 OD2 ASP A 36 6.396 -7.102 11.367 1.00 1.59 O ATOM 0 H ASP A 36 5.879 -7.481 7.248 1.00 0.56 H new ATOM 0 HA ASP A 36 7.521 -9.596 8.087 1.00 0.68 H new ATOM 0 HB2 ASP A 36 7.765 -8.987 10.491 1.00 0.85 H new ATOM 0 HB3 ASP A 36 8.731 -7.971 9.440 1.00 0.85 H new ATOM 632 N THR A 37 4.659 -9.337 7.973 1.00 0.64 N ATOM 633 CA THR A 37 3.301 -9.803 8.243 1.00 0.64 C ATOM 634 C THR A 37 2.431 -9.698 6.995 1.00 0.66 C ATOM 635 O THR A 37 2.257 -8.612 6.440 1.00 0.92 O ATOM 636 CB THR A 37 2.670 -8.994 9.385 1.00 0.72 C ATOM 637 OG1 THR A 37 1.256 -8.990 9.277 1.00 1.70 O ATOM 638 CG2 THR A 37 3.129 -7.551 9.429 1.00 1.49 C ATOM 0 H THR A 37 4.828 -9.075 7.002 1.00 0.64 H new ATOM 0 HA THR A 37 3.360 -10.850 8.540 1.00 0.64 H new ATOM 0 HB THR A 37 2.997 -9.489 10.299 1.00 0.72 H new ATOM 0 HG1 THR A 37 0.873 -8.471 10.015 1.00 1.70 H new ATOM 0 HG21 THR A 37 2.643 -7.040 10.260 1.00 1.49 H new ATOM 0 HG22 THR A 37 4.210 -7.517 9.564 1.00 1.49 H new ATOM 0 HG23 THR A 37 2.864 -7.056 8.494 1.00 1.49 H new ATOM 646 N ASN A 38 1.875 -10.827 6.566 1.00 0.52 N ATOM 647 CA ASN A 38 1.000 -10.845 5.398 1.00 0.56 C ATOM 648 C ASN A 38 -0.108 -9.815 5.556 1.00 0.65 C ATOM 649 O ASN A 38 -1.145 -10.090 6.161 1.00 0.82 O ATOM 650 CB ASN A 38 0.396 -12.238 5.206 1.00 0.59 C ATOM 651 CG ASN A 38 0.993 -12.967 4.019 1.00 1.06 C ATOM 652 OD1 ASN A 38 2.063 -13.566 4.117 1.00 2.08 O ATOM 653 ND2 ASN A 38 0.301 -12.918 2.887 1.00 1.04 N ATOM 0 H ASN A 38 2.013 -11.737 7.006 1.00 0.52 H new ATOM 0 HA ASN A 38 1.592 -10.595 4.518 1.00 0.56 H new ATOM 0 HB2 ASN A 38 0.555 -12.828 6.109 1.00 0.59 H new ATOM 0 HB3 ASN A 38 -0.682 -12.148 5.070 1.00 0.59 H new ATOM 0 HD21 ASN A 38 0.653 -13.389 2.053 1.00 1.04 H new ATOM 0 HD22 ASN A 38 -0.582 -12.409 2.851 1.00 1.04 H new ATOM 660 N GLU A 39 0.128 -8.617 5.036 1.00 0.59 N ATOM 661 CA GLU A 39 -0.837 -7.531 5.164 1.00 0.69 C ATOM 662 C GLU A 39 -1.238 -6.970 3.796 1.00 0.54 C ATOM 663 O GLU A 39 -0.555 -7.183 2.794 1.00 0.60 O ATOM 664 CB GLU A 39 -0.262 -6.435 6.096 1.00 0.94 C ATOM 665 CG GLU A 39 0.128 -5.115 5.431 1.00 0.81 C ATOM 666 CD GLU A 39 1.295 -4.438 6.123 1.00 1.14 C ATOM 667 OE1 GLU A 39 2.039 -5.133 6.847 1.00 1.36 O ATOM 668 OE2 GLU A 39 1.465 -3.214 5.941 1.00 1.45 O ATOM 0 H GLU A 39 0.975 -8.373 4.524 1.00 0.59 H new ATOM 0 HA GLU A 39 -1.750 -7.921 5.613 1.00 0.69 H new ATOM 0 HB2 GLU A 39 -1.000 -6.223 6.870 1.00 0.94 H new ATOM 0 HB3 GLU A 39 0.618 -6.839 6.596 1.00 0.94 H new ATOM 0 HG2 GLU A 39 0.386 -5.300 4.388 1.00 0.81 H new ATOM 0 HG3 GLU A 39 -0.731 -4.443 5.433 1.00 0.81 H new ATOM 675 N THR A 40 -2.357 -6.257 3.774 1.00 0.43 N ATOM 676 CA THR A 40 -2.849 -5.629 2.555 1.00 0.35 C ATOM 677 C THR A 40 -3.395 -4.239 2.872 1.00 0.36 C ATOM 678 O THR A 40 -4.071 -4.049 3.882 1.00 0.41 O ATOM 679 CB THR A 40 -3.931 -6.496 1.906 1.00 0.31 C ATOM 680 OG1 THR A 40 -3.373 -7.703 1.418 1.00 0.40 O ATOM 681 CG2 THR A 40 -4.637 -5.817 0.753 1.00 0.40 C ATOM 0 H THR A 40 -2.944 -6.099 4.593 1.00 0.43 H new ATOM 0 HA THR A 40 -2.023 -5.530 1.850 1.00 0.35 H new ATOM 0 HB THR A 40 -4.662 -6.684 2.693 1.00 0.31 H new ATOM 0 HG1 THR A 40 -4.078 -8.247 1.008 1.00 0.40 H new ATOM 0 HG21 THR A 40 -5.390 -6.489 0.341 1.00 0.40 H new ATOM 0 HG22 THR A 40 -5.118 -4.905 1.107 1.00 0.40 H new ATOM 0 HG23 THR A 40 -3.912 -5.567 -0.021 1.00 0.40 H new ATOM 689 N CYS A 41 -3.067 -3.261 2.034 1.00 0.34 N ATOM 690 CA CYS A 41 -3.521 -1.892 2.258 1.00 0.33 C ATOM 691 C CYS A 41 -4.135 -1.310 0.992 1.00 0.30 C ATOM 692 O CYS A 41 -3.846 -1.760 -0.116 1.00 0.31 O ATOM 693 CB CYS A 41 -2.366 -1.008 2.739 1.00 0.36 C ATOM 694 SG CYS A 41 -0.748 -1.451 2.060 1.00 0.63 S ATOM 0 H CYS A 41 -2.493 -3.388 1.200 1.00 0.34 H new ATOM 0 HA CYS A 41 -4.286 -1.917 3.034 1.00 0.33 H new ATOM 0 HB2 CYS A 41 -2.584 0.027 2.477 1.00 0.36 H new ATOM 0 HB3 CYS A 41 -2.315 -1.058 3.827 1.00 0.36 H new ATOM 0 HG CYS A 41 0.155 -0.642 2.528 1.00 0.63 H new ATOM 700 N TYR A 42 -4.993 -0.312 1.167 1.00 0.27 N ATOM 701 CA TYR A 42 -5.670 0.324 0.045 1.00 0.26 C ATOM 702 C TYR A 42 -5.467 1.838 0.085 1.00 0.24 C ATOM 703 O TYR A 42 -5.606 2.467 1.132 1.00 0.26 O ATOM 704 CB TYR A 42 -7.165 -0.040 0.074 1.00 0.26 C ATOM 705 CG TYR A 42 -8.079 0.932 -0.645 1.00 0.27 C ATOM 706 CD1 TYR A 42 -8.355 0.779 -1.997 1.00 0.39 C ATOM 707 CD2 TYR A 42 -8.657 2.002 0.025 1.00 0.28 C ATOM 708 CE1 TYR A 42 -9.184 1.661 -2.661 1.00 0.43 C ATOM 709 CE2 TYR A 42 -9.489 2.891 -0.631 1.00 0.36 C ATOM 710 CZ TYR A 42 -9.761 2.719 -1.953 1.00 0.39 C ATOM 711 OH TYR A 42 -10.575 3.597 -2.632 1.00 0.47 O ATOM 0 H TYR A 42 -5.237 0.075 2.079 1.00 0.27 H new ATOM 0 HA TYR A 42 -5.242 -0.040 -0.889 1.00 0.26 H new ATOM 0 HB2 TYR A 42 -7.291 -1.028 -0.369 1.00 0.26 H new ATOM 0 HB3 TYR A 42 -7.485 -0.114 1.113 1.00 0.26 H new ATOM 0 HD1 TYR A 42 -7.913 -0.044 -2.539 1.00 0.39 H new ATOM 0 HD2 TYR A 42 -8.453 2.142 1.076 1.00 0.28 H new ATOM 0 HE1 TYR A 42 -9.384 1.535 -3.715 1.00 0.43 H new ATOM 0 HE2 TYR A 42 -9.923 3.722 -0.094 1.00 0.36 H new ATOM 0 HH TYR A 42 -10.907 4.281 -2.013 1.00 0.47 H new ATOM 721 N ILE A 43 -5.139 2.412 -1.067 1.00 0.23 N ATOM 722 CA ILE A 43 -4.914 3.850 -1.164 1.00 0.24 C ATOM 723 C ILE A 43 -6.233 4.618 -1.170 1.00 0.27 C ATOM 724 O ILE A 43 -7.264 4.110 -1.610 1.00 0.35 O ATOM 725 CB ILE A 43 -4.117 4.216 -2.434 1.00 0.25 C ATOM 726 CG1 ILE A 43 -2.753 3.512 -2.433 1.00 0.26 C ATOM 727 CG2 ILE A 43 -3.955 5.731 -2.556 1.00 0.29 C ATOM 728 CD1 ILE A 43 -1.677 4.240 -1.651 1.00 1.07 C ATOM 0 H ILE A 43 -5.023 1.906 -1.945 1.00 0.23 H new ATOM 0 HA ILE A 43 -4.334 4.134 -0.286 1.00 0.24 H new ATOM 0 HB ILE A 43 -4.676 3.871 -3.304 1.00 0.25 H new ATOM 0 HG12 ILE A 43 -2.874 2.511 -2.018 1.00 0.26 H new ATOM 0 HG13 ILE A 43 -2.418 3.391 -3.463 1.00 0.26 H new ATOM 0 HG21 ILE A 43 -3.390 5.965 -3.458 1.00 0.29 H new ATOM 0 HG22 ILE A 43 -4.938 6.199 -2.612 1.00 0.29 H new ATOM 0 HG23 ILE A 43 -3.421 6.111 -1.685 1.00 0.29 H new ATOM 0 HD11 ILE A 43 -0.746 3.676 -1.701 1.00 1.07 H new ATOM 0 HD12 ILE A 43 -1.524 5.231 -2.078 1.00 1.07 H new ATOM 0 HD13 ILE A 43 -1.986 4.337 -0.610 1.00 1.07 H new ATOM 740 N LEU A 44 -6.170 5.861 -0.710 1.00 0.26 N ATOM 741 CA LEU A 44 -7.336 6.737 -0.680 1.00 0.29 C ATOM 742 C LEU A 44 -7.093 7.984 -1.528 1.00 0.26 C ATOM 743 O LEU A 44 -8.016 8.523 -2.138 1.00 0.35 O ATOM 744 CB LEU A 44 -7.663 7.141 0.759 1.00 0.37 C ATOM 745 CG LEU A 44 -8.952 7.948 0.929 1.00 0.41 C ATOM 746 CD1 LEU A 44 -10.159 7.123 0.505 1.00 0.90 C ATOM 747 CD2 LEU A 44 -9.102 8.418 2.367 1.00 0.69 C ATOM 0 H LEU A 44 -5.317 6.289 -0.350 1.00 0.26 H new ATOM 0 HA LEU A 44 -8.183 6.191 -1.095 1.00 0.29 H new ATOM 0 HB2 LEU A 44 -7.735 6.239 1.366 1.00 0.37 H new ATOM 0 HB3 LEU A 44 -6.832 7.725 1.154 1.00 0.37 H new ATOM 0 HG LEU A 44 -8.895 8.826 0.286 1.00 0.41 H new ATOM 0 HD11 LEU A 44 -11.066 7.713 0.633 1.00 0.90 H new ATOM 0 HD12 LEU A 44 -10.056 6.839 -0.542 1.00 0.90 H new ATOM 0 HD13 LEU A 44 -10.220 6.225 1.120 1.00 0.90 H new ATOM 0 HD21 LEU A 44 -10.024 8.990 2.468 1.00 0.69 H new ATOM 0 HD22 LEU A 44 -9.136 7.554 3.031 1.00 0.69 H new ATOM 0 HD23 LEU A 44 -8.253 9.048 2.634 1.00 0.69 H new ATOM 759 N GLU A 45 -5.839 8.432 -1.564 1.00 0.22 N ATOM 760 CA GLU A 45 -5.459 9.608 -2.337 1.00 0.23 C ATOM 761 C GLU A 45 -3.973 9.902 -2.156 1.00 0.23 C ATOM 762 O GLU A 45 -3.550 10.373 -1.103 1.00 0.38 O ATOM 763 CB GLU A 45 -6.284 10.821 -1.903 1.00 0.29 C ATOM 764 CG GLU A 45 -6.319 11.025 -0.396 1.00 0.52 C ATOM 765 CD GLU A 45 -7.077 12.276 0.005 1.00 0.80 C ATOM 766 OE1 GLU A 45 -6.938 13.302 -0.692 1.00 1.12 O ATOM 767 OE2 GLU A 45 -7.806 12.228 1.017 1.00 1.44 O ATOM 0 H GLU A 45 -5.066 7.994 -1.063 1.00 0.22 H new ATOM 0 HA GLU A 45 -5.656 9.406 -3.390 1.00 0.23 H new ATOM 0 HB2 GLU A 45 -5.875 11.715 -2.373 1.00 0.29 H new ATOM 0 HB3 GLU A 45 -7.304 10.706 -2.270 1.00 0.29 H new ATOM 0 HG2 GLU A 45 -6.782 10.157 0.074 1.00 0.52 H new ATOM 0 HG3 GLU A 45 -5.299 11.086 -0.017 1.00 0.52 H new ATOM 774 N GLY A 46 -3.179 9.602 -3.179 1.00 0.18 N ATOM 775 CA GLY A 46 -1.751 9.837 -3.093 1.00 0.21 C ATOM 776 C GLY A 46 -0.978 9.148 -4.200 1.00 0.19 C ATOM 777 O GLY A 46 -1.534 8.347 -4.949 1.00 0.25 O ATOM 0 H GLY A 46 -3.498 9.202 -4.062 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -1.560 10.909 -3.135 1.00 0.21 H new ATOM 0 HA3 GLY A 46 -1.386 9.486 -2.128 1.00 0.21 H new ATOM 781 N LYS A 47 0.312 9.456 -4.294 1.00 0.23 N ATOM 782 CA LYS A 47 1.167 8.861 -5.311 1.00 0.29 C ATOM 783 C LYS A 47 2.507 8.453 -4.717 1.00 0.25 C ATOM 784 O LYS A 47 3.245 9.290 -4.196 1.00 0.24 O ATOM 785 CB LYS A 47 1.393 9.853 -6.452 1.00 0.41 C ATOM 786 CG LYS A 47 1.121 9.272 -7.827 1.00 0.57 C ATOM 787 CD LYS A 47 2.075 9.836 -8.868 1.00 1.12 C ATOM 788 CE LYS A 47 3.440 9.174 -8.787 1.00 0.50 C ATOM 789 NZ LYS A 47 4.341 9.624 -9.884 1.00 1.10 N ATOM 0 H LYS A 47 0.787 10.115 -3.677 1.00 0.23 H new ATOM 0 HA LYS A 47 0.670 7.971 -5.697 1.00 0.29 H new ATOM 0 HB2 LYS A 47 0.751 10.721 -6.300 1.00 0.41 H new ATOM 0 HB3 LYS A 47 2.423 10.208 -6.414 1.00 0.41 H new ATOM 0 HG2 LYS A 47 1.220 8.187 -7.791 1.00 0.57 H new ATOM 0 HG3 LYS A 47 0.093 9.489 -8.118 1.00 0.57 H new ATOM 0 HD2 LYS A 47 1.657 9.690 -9.864 1.00 1.12 H new ATOM 0 HD3 LYS A 47 2.181 10.911 -8.722 1.00 1.12 H new ATOM 0 HE2 LYS A 47 3.898 9.402 -7.824 1.00 0.50 H new ATOM 0 HE3 LYS A 47 3.322 8.091 -8.835 1.00 0.50 H new ATOM 0 HZ1 LYS A 47 5.262 9.150 -9.793 1.00 1.10 H new ATOM 0 HZ2 LYS A 47 3.917 9.384 -10.803 1.00 1.10 H new ATOM 0 HZ3 LYS A 47 4.474 10.654 -9.823 1.00 1.10 H new ATOM 803 N VAL A 48 2.837 7.169 -4.821 1.00 0.31 N ATOM 804 CA VAL A 48 4.102 6.674 -4.290 1.00 0.32 C ATOM 805 C VAL A 48 4.759 5.673 -5.236 1.00 0.30 C ATOM 806 O VAL A 48 4.116 4.751 -5.738 1.00 0.34 O ATOM 807 CB VAL A 48 3.918 6.037 -2.885 1.00 0.39 C ATOM 808 CG1 VAL A 48 2.664 5.189 -2.842 1.00 0.64 C ATOM 809 CG2 VAL A 48 5.133 5.212 -2.460 1.00 0.52 C ATOM 0 H VAL A 48 2.253 6.459 -5.263 1.00 0.31 H new ATOM 0 HA VAL A 48 4.761 7.537 -4.195 1.00 0.32 H new ATOM 0 HB VAL A 48 3.817 6.857 -2.174 1.00 0.39 H new ATOM 0 HG11 VAL A 48 2.554 4.752 -1.849 1.00 0.64 H new ATOM 0 HG12 VAL A 48 1.796 5.811 -3.063 1.00 0.64 H new ATOM 0 HG13 VAL A 48 2.738 4.393 -3.583 1.00 0.64 H new ATOM 0 HG21 VAL A 48 4.957 4.787 -1.472 1.00 0.52 H new ATOM 0 HG22 VAL A 48 5.295 4.407 -3.177 1.00 0.52 H new ATOM 0 HG23 VAL A 48 6.014 5.852 -2.428 1.00 0.52 H new ATOM 819 N GLU A 49 6.063 5.845 -5.431 1.00 0.31 N ATOM 820 CA GLU A 49 6.848 4.932 -6.248 1.00 0.30 C ATOM 821 C GLU A 49 7.778 4.121 -5.352 1.00 0.30 C ATOM 822 O GLU A 49 8.654 4.678 -4.690 1.00 0.36 O ATOM 823 CB GLU A 49 7.658 5.704 -7.292 1.00 0.36 C ATOM 824 CG GLU A 49 6.925 6.908 -7.860 1.00 0.38 C ATOM 825 CD GLU A 49 7.774 7.704 -8.832 1.00 0.51 C ATOM 826 OE1 GLU A 49 8.570 8.549 -8.370 1.00 0.96 O ATOM 827 OE2 GLU A 49 7.644 7.482 -10.054 1.00 0.75 O ATOM 0 H GLU A 49 6.599 6.615 -5.030 1.00 0.31 H new ATOM 0 HA GLU A 49 6.173 4.257 -6.774 1.00 0.30 H new ATOM 0 HB2 GLU A 49 8.593 6.037 -6.841 1.00 0.36 H new ATOM 0 HB3 GLU A 49 7.920 5.030 -8.108 1.00 0.36 H new ATOM 0 HG2 GLU A 49 6.020 6.572 -8.365 1.00 0.38 H new ATOM 0 HG3 GLU A 49 6.611 7.557 -7.042 1.00 0.38 H new ATOM 834 N VAL A 50 7.566 2.811 -5.308 1.00 0.26 N ATOM 835 CA VAL A 50 8.350 1.946 -4.434 1.00 0.28 C ATOM 836 C VAL A 50 9.439 1.205 -5.197 1.00 0.26 C ATOM 837 O VAL A 50 9.206 0.679 -6.283 1.00 0.21 O ATOM 838 CB VAL A 50 7.448 0.917 -3.720 1.00 0.29 C ATOM 839 CG1 VAL A 50 8.272 -0.019 -2.847 1.00 0.35 C ATOM 840 CG2 VAL A 50 6.382 1.625 -2.897 1.00 0.33 C ATOM 0 H VAL A 50 6.862 2.326 -5.864 1.00 0.26 H new ATOM 0 HA VAL A 50 8.821 2.595 -3.695 1.00 0.28 H new ATOM 0 HB VAL A 50 6.952 0.314 -4.480 1.00 0.29 H new ATOM 0 HG11 VAL A 50 7.612 -0.734 -2.356 1.00 0.35 H new ATOM 0 HG12 VAL A 50 8.991 -0.555 -3.466 1.00 0.35 H new ATOM 0 HG13 VAL A 50 8.804 0.561 -2.093 1.00 0.35 H new ATOM 0 HG21 VAL A 50 5.755 0.885 -2.400 1.00 0.33 H new ATOM 0 HG22 VAL A 50 6.860 2.257 -2.148 1.00 0.33 H new ATOM 0 HG23 VAL A 50 5.766 2.241 -3.552 1.00 0.33 H new ATOM 850 N THR A 51 10.633 1.177 -4.611 1.00 0.32 N ATOM 851 CA THR A 51 11.759 0.461 -5.193 1.00 0.33 C ATOM 852 C THR A 51 12.373 -0.485 -4.166 1.00 0.37 C ATOM 853 O THR A 51 12.901 -0.047 -3.144 1.00 0.44 O ATOM 854 CB THR A 51 12.819 1.439 -5.698 1.00 0.40 C ATOM 855 OG1 THR A 51 12.213 2.559 -6.319 1.00 0.49 O ATOM 856 CG2 THR A 51 13.772 0.815 -6.693 1.00 0.42 C ATOM 0 H THR A 51 10.844 1.645 -3.730 1.00 0.32 H new ATOM 0 HA THR A 51 11.392 -0.121 -6.038 1.00 0.33 H new ATOM 0 HB THR A 51 13.385 1.741 -4.816 1.00 0.40 H new ATOM 0 HG1 THR A 51 12.908 3.174 -6.634 1.00 0.49 H new ATOM 0 HG21 THR A 51 14.501 1.559 -7.015 1.00 0.42 H new ATOM 0 HG22 THR A 51 14.290 -0.022 -6.225 1.00 0.42 H new ATOM 0 HG23 THR A 51 13.213 0.458 -7.558 1.00 0.42 H new ATOM 864 N THR A 52 12.299 -1.782 -4.441 1.00 0.33 N ATOM 865 CA THR A 52 12.838 -2.784 -3.530 1.00 0.39 C ATOM 866 C THR A 52 14.315 -3.041 -3.804 1.00 0.42 C ATOM 867 O THR A 52 14.772 -2.950 -4.943 1.00 0.42 O ATOM 868 CB THR A 52 12.048 -4.087 -3.656 1.00 0.37 C ATOM 869 OG1 THR A 52 12.474 -4.824 -4.790 1.00 0.39 O ATOM 870 CG2 THR A 52 10.556 -3.870 -3.781 1.00 0.36 C ATOM 0 H THR A 52 11.872 -2.164 -5.285 1.00 0.33 H new ATOM 0 HA THR A 52 12.743 -2.402 -2.514 1.00 0.39 H new ATOM 0 HB THR A 52 12.243 -4.635 -2.734 1.00 0.37 H new ATOM 0 HG1 THR A 52 11.958 -5.655 -4.853 1.00 0.39 H new ATOM 0 HG21 THR A 52 10.054 -4.834 -3.867 1.00 0.36 H new ATOM 0 HG22 THR A 52 10.189 -3.347 -2.898 1.00 0.36 H new ATOM 0 HG23 THR A 52 10.348 -3.272 -4.669 1.00 0.36 H new ATOM 878 N GLU A 53 15.059 -3.363 -2.749 1.00 0.59 N ATOM 879 CA GLU A 53 16.486 -3.637 -2.874 1.00 0.65 C ATOM 880 C GLU A 53 16.740 -4.721 -3.916 1.00 0.55 C ATOM 881 O GLU A 53 17.697 -4.643 -4.686 1.00 0.52 O ATOM 882 CB GLU A 53 17.063 -4.069 -1.523 1.00 0.79 C ATOM 883 CG GLU A 53 16.609 -5.451 -1.083 1.00 1.21 C ATOM 884 CD GLU A 53 17.112 -5.820 0.299 1.00 2.08 C ATOM 885 OE1 GLU A 53 16.674 -5.183 1.280 1.00 2.47 O ATOM 886 OE2 GLU A 53 17.943 -6.747 0.400 1.00 2.77 O ATOM 0 H GLU A 53 14.697 -3.440 -1.799 1.00 0.59 H new ATOM 0 HA GLU A 53 16.981 -2.721 -3.198 1.00 0.65 H new ATOM 0 HB2 GLU A 53 18.151 -4.054 -1.580 1.00 0.79 H new ATOM 0 HB3 GLU A 53 16.774 -3.342 -0.764 1.00 0.79 H new ATOM 0 HG2 GLU A 53 15.520 -5.491 -1.091 1.00 1.21 H new ATOM 0 HG3 GLU A 53 16.960 -6.191 -1.802 1.00 1.21 H new ATOM 893 N ASP A 54 15.877 -5.730 -3.935 1.00 0.52 N ATOM 894 CA ASP A 54 16.008 -6.828 -4.885 1.00 0.46 C ATOM 895 C ASP A 54 16.075 -6.302 -6.315 1.00 0.38 C ATOM 896 O ASP A 54 16.802 -6.839 -7.151 1.00 0.39 O ATOM 897 CB ASP A 54 14.834 -7.798 -4.742 1.00 0.49 C ATOM 898 CG ASP A 54 15.232 -9.232 -5.032 1.00 1.10 C ATOM 899 OD1 ASP A 54 15.424 -9.566 -6.221 1.00 1.88 O ATOM 900 OD2 ASP A 54 15.352 -10.021 -4.072 1.00 1.43 O ATOM 0 H ASP A 54 15.080 -5.811 -3.304 1.00 0.52 H new ATOM 0 HA ASP A 54 16.935 -7.357 -4.666 1.00 0.46 H new ATOM 0 HB2 ASP A 54 14.433 -7.732 -3.731 1.00 0.49 H new ATOM 0 HB3 ASP A 54 14.035 -7.501 -5.422 1.00 0.49 H new ATOM 905 N GLY A 55 15.312 -5.249 -6.589 1.00 0.35 N ATOM 906 CA GLY A 55 15.305 -4.664 -7.916 1.00 0.33 C ATOM 907 C GLY A 55 13.908 -4.507 -8.492 1.00 0.31 C ATOM 908 O GLY A 55 13.753 -4.139 -9.656 1.00 0.40 O ATOM 0 H GLY A 55 14.698 -4.791 -5.915 1.00 0.35 H new ATOM 0 HA2 GLY A 55 15.788 -3.687 -7.878 1.00 0.33 H new ATOM 0 HA3 GLY A 55 15.899 -5.287 -8.584 1.00 0.33 H new ATOM 912 N LYS A 56 12.887 -4.784 -7.683 1.00 0.26 N ATOM 913 CA LYS A 56 11.507 -4.659 -8.131 1.00 0.25 C ATOM 914 C LYS A 56 11.001 -3.236 -7.929 1.00 0.24 C ATOM 915 O LYS A 56 11.751 -2.354 -7.507 1.00 0.26 O ATOM 916 CB LYS A 56 10.606 -5.638 -7.375 1.00 0.26 C ATOM 917 CG LYS A 56 11.256 -6.985 -7.102 1.00 0.37 C ATOM 918 CD LYS A 56 11.399 -7.803 -8.376 1.00 0.81 C ATOM 919 CE LYS A 56 10.304 -8.853 -8.489 1.00 0.86 C ATOM 920 NZ LYS A 56 8.949 -8.238 -8.557 1.00 1.72 N ATOM 0 H LYS A 56 12.992 -5.095 -6.717 1.00 0.26 H new ATOM 0 HA LYS A 56 11.477 -4.896 -9.194 1.00 0.25 H new ATOM 0 HB2 LYS A 56 10.312 -5.188 -6.427 1.00 0.26 H new ATOM 0 HB3 LYS A 56 9.693 -5.795 -7.950 1.00 0.26 H new ATOM 0 HG2 LYS A 56 12.238 -6.832 -6.654 1.00 0.37 H new ATOM 0 HG3 LYS A 56 10.658 -7.539 -6.378 1.00 0.37 H new ATOM 0 HD2 LYS A 56 11.361 -7.141 -9.241 1.00 0.81 H new ATOM 0 HD3 LYS A 56 12.374 -8.290 -8.390 1.00 0.81 H new ATOM 0 HE2 LYS A 56 10.473 -9.459 -9.379 1.00 0.86 H new ATOM 0 HE3 LYS A 56 10.355 -9.525 -7.632 1.00 0.86 H new ATOM 0 HZ1 LYS A 56 8.240 -8.978 -8.735 1.00 1.72 H new ATOM 0 HZ2 LYS A 56 8.737 -7.765 -7.655 1.00 1.72 H new ATOM 0 HZ3 LYS A 56 8.923 -7.541 -9.328 1.00 1.72 H new ATOM 934 N LYS A 57 9.730 -3.012 -8.244 1.00 0.24 N ATOM 935 CA LYS A 57 9.131 -1.696 -8.087 1.00 0.23 C ATOM 936 C LYS A 57 7.616 -1.796 -7.944 1.00 0.26 C ATOM 937 O LYS A 57 6.984 -2.680 -8.523 1.00 0.36 O ATOM 938 CB LYS A 57 9.485 -0.806 -9.281 1.00 0.29 C ATOM 939 CG LYS A 57 10.456 0.311 -8.937 1.00 0.54 C ATOM 940 CD LYS A 57 11.000 0.983 -10.187 1.00 0.73 C ATOM 941 CE LYS A 57 12.420 0.533 -10.488 1.00 0.67 C ATOM 942 NZ LYS A 57 13.343 1.688 -10.667 1.00 1.32 N ATOM 0 H LYS A 57 9.098 -3.724 -8.609 1.00 0.24 H new ATOM 0 HA LYS A 57 9.532 -1.250 -7.177 1.00 0.23 H new ATOM 0 HB2 LYS A 57 9.918 -1.423 -10.068 1.00 0.29 H new ATOM 0 HB3 LYS A 57 8.570 -0.371 -9.683 1.00 0.29 H new ATOM 0 HG2 LYS A 57 9.954 1.051 -8.314 1.00 0.54 H new ATOM 0 HG3 LYS A 57 11.282 -0.092 -8.351 1.00 0.54 H new ATOM 0 HD2 LYS A 57 10.356 0.751 -11.035 1.00 0.73 H new ATOM 0 HD3 LYS A 57 10.980 2.065 -10.058 1.00 0.73 H new ATOM 0 HE2 LYS A 57 12.781 -0.097 -9.675 1.00 0.67 H new ATOM 0 HE3 LYS A 57 12.424 -0.078 -11.391 1.00 0.67 H new ATOM 0 HZ1 LYS A 57 14.301 1.338 -10.871 1.00 1.32 H new ATOM 0 HZ2 LYS A 57 13.013 2.276 -11.459 1.00 1.32 H new ATOM 0 HZ3 LYS A 57 13.360 2.257 -9.797 1.00 1.32 H new ATOM 956 N TYR A 58 7.039 -0.880 -7.172 1.00 0.23 N ATOM 957 CA TYR A 58 5.595 -0.854 -6.968 1.00 0.28 C ATOM 958 C TYR A 58 5.068 0.574 -6.973 1.00 0.23 C ATOM 959 O TYR A 58 5.356 1.355 -6.065 1.00 0.23 O ATOM 960 CB TYR A 58 5.217 -1.525 -5.646 1.00 0.37 C ATOM 961 CG TYR A 58 6.142 -2.643 -5.228 1.00 0.39 C ATOM 962 CD1 TYR A 58 6.348 -3.746 -6.047 1.00 0.43 C ATOM 963 CD2 TYR A 58 6.789 -2.605 -4.001 1.00 0.40 C ATOM 964 CE1 TYR A 58 7.187 -4.774 -5.660 1.00 0.47 C ATOM 965 CE2 TYR A 58 7.628 -3.629 -3.605 1.00 0.44 C ATOM 966 CZ TYR A 58 7.825 -4.711 -4.439 1.00 0.46 C ATOM 967 OH TYR A 58 8.658 -5.733 -4.050 1.00 0.51 O ATOM 0 H TYR A 58 7.549 -0.147 -6.678 1.00 0.23 H new ATOM 0 HA TYR A 58 5.141 -1.405 -7.792 1.00 0.28 H new ATOM 0 HB2 TYR A 58 5.201 -0.770 -4.860 1.00 0.37 H new ATOM 0 HB3 TYR A 58 4.204 -1.919 -5.729 1.00 0.37 H new ATOM 0 HD1 TYR A 58 5.845 -3.801 -7.001 1.00 0.43 H new ATOM 0 HD2 TYR A 58 6.634 -1.761 -3.345 1.00 0.40 H new ATOM 0 HE1 TYR A 58 7.342 -5.622 -6.310 1.00 0.47 H new ATOM 0 HE2 TYR A 58 8.127 -3.583 -2.648 1.00 0.44 H new ATOM 0 HH TYR A 58 9.172 -6.049 -4.823 1.00 0.51 H new ATOM 977 N VAL A 59 4.281 0.906 -7.989 1.00 0.27 N ATOM 978 CA VAL A 59 3.681 2.229 -8.085 1.00 0.26 C ATOM 979 C VAL A 59 2.177 2.146 -7.856 1.00 0.28 C ATOM 980 O VAL A 59 1.457 1.514 -8.630 1.00 0.37 O ATOM 981 CB VAL A 59 3.955 2.879 -9.457 1.00 0.37 C ATOM 982 CG1 VAL A 59 3.476 1.976 -10.586 1.00 0.47 C ATOM 983 CG2 VAL A 59 3.298 4.248 -9.542 1.00 1.24 C ATOM 0 H VAL A 59 4.044 0.278 -8.757 1.00 0.27 H new ATOM 0 HA VAL A 59 4.136 2.850 -7.314 1.00 0.26 H new ATOM 0 HB VAL A 59 5.032 3.012 -9.564 1.00 0.37 H new ATOM 0 HG11 VAL A 59 3.679 2.453 -11.545 1.00 0.47 H new ATOM 0 HG12 VAL A 59 4.002 1.022 -10.537 1.00 0.47 H new ATOM 0 HG13 VAL A 59 2.404 1.805 -10.485 1.00 0.47 H new ATOM 0 HG21 VAL A 59 3.503 4.690 -10.517 1.00 1.24 H new ATOM 0 HG22 VAL A 59 2.221 4.144 -9.410 1.00 1.24 H new ATOM 0 HG23 VAL A 59 3.699 4.893 -8.760 1.00 1.24 H new ATOM 993 N ILE A 60 1.707 2.769 -6.781 1.00 0.27 N ATOM 994 CA ILE A 60 0.288 2.741 -6.453 1.00 0.33 C ATOM 995 C ILE A 60 -0.261 4.149 -6.265 1.00 0.29 C ATOM 996 O ILE A 60 0.332 4.967 -5.562 1.00 0.40 O ATOM 997 CB ILE A 60 0.021 1.913 -5.182 1.00 0.42 C ATOM 998 CG1 ILE A 60 0.827 2.459 -4.001 1.00 0.43 C ATOM 999 CG2 ILE A 60 0.365 0.455 -5.425 1.00 0.52 C ATOM 1000 CD1 ILE A 60 0.340 1.959 -2.659 1.00 0.94 C ATOM 0 H ILE A 60 2.284 3.296 -6.126 1.00 0.27 H new ATOM 0 HA ILE A 60 -0.223 2.270 -7.293 1.00 0.33 H new ATOM 0 HB ILE A 60 -1.039 1.989 -4.938 1.00 0.42 H new ATOM 0 HG12 ILE A 60 1.874 2.182 -4.126 1.00 0.43 H new ATOM 0 HG13 ILE A 60 0.782 3.548 -4.013 1.00 0.43 H new ATOM 0 HG21 ILE A 60 0.172 -0.120 -4.519 1.00 0.52 H new ATOM 0 HG22 ILE A 60 -0.248 0.067 -6.239 1.00 0.52 H new ATOM 0 HG23 ILE A 60 1.418 0.369 -5.692 1.00 0.52 H new ATOM 0 HD11 ILE A 60 0.956 2.385 -1.867 1.00 0.94 H new ATOM 0 HD12 ILE A 60 -0.698 2.259 -2.514 1.00 0.94 H new ATOM 0 HD13 ILE A 60 0.411 0.872 -2.628 1.00 0.94 H new ATOM 1012 N GLU A 61 -1.374 4.443 -6.927 1.00 0.26 N ATOM 1013 CA GLU A 61 -1.969 5.766 -6.831 1.00 0.24 C ATOM 1014 C GLU A 61 -3.487 5.719 -6.711 1.00 0.23 C ATOM 1015 O GLU A 61 -4.170 5.117 -7.536 1.00 0.41 O ATOM 1016 CB GLU A 61 -1.586 6.616 -8.038 1.00 0.39 C ATOM 1017 CG GLU A 61 -2.167 8.016 -7.978 1.00 0.41 C ATOM 1018 CD GLU A 61 -1.913 8.813 -9.243 1.00 0.47 C ATOM 1019 OE1 GLU A 61 -1.560 8.197 -10.271 1.00 0.57 O ATOM 1020 OE2 GLU A 61 -2.068 10.052 -9.207 1.00 0.79 O ATOM 0 H GLU A 61 -1.876 3.790 -7.529 1.00 0.26 H new ATOM 0 HA GLU A 61 -1.575 6.215 -5.919 1.00 0.24 H new ATOM 0 HB2 GLU A 61 -0.500 6.681 -8.101 1.00 0.39 H new ATOM 0 HB3 GLU A 61 -1.930 6.123 -8.948 1.00 0.39 H new ATOM 0 HG2 GLU A 61 -3.241 7.951 -7.804 1.00 0.41 H new ATOM 0 HG3 GLU A 61 -1.738 8.546 -7.128 1.00 0.41 H new ATOM 1027 N LYS A 62 -3.990 6.425 -5.703 1.00 0.19 N ATOM 1028 CA LYS A 62 -5.429 6.582 -5.466 1.00 0.25 C ATOM 1029 C LYS A 62 -6.261 5.374 -5.896 1.00 0.28 C ATOM 1030 O LYS A 62 -6.523 5.174 -7.083 1.00 0.41 O ATOM 1031 CB LYS A 62 -5.930 7.834 -6.196 1.00 0.40 C ATOM 1032 CG LYS A 62 -7.442 8.014 -6.157 1.00 0.50 C ATOM 1033 CD LYS A 62 -7.985 7.914 -4.741 1.00 0.57 C ATOM 1034 CE LYS A 62 -8.981 6.774 -4.605 1.00 0.97 C ATOM 1035 NZ LYS A 62 -10.380 7.271 -4.482 1.00 0.82 N ATOM 0 H LYS A 62 -3.409 6.910 -5.019 1.00 0.19 H new ATOM 0 HA LYS A 62 -5.558 6.677 -4.388 1.00 0.25 H new ATOM 0 HB2 LYS A 62 -5.459 8.712 -5.754 1.00 0.40 H new ATOM 0 HB3 LYS A 62 -5.607 7.789 -7.236 1.00 0.40 H new ATOM 0 HG2 LYS A 62 -7.704 8.984 -6.579 1.00 0.50 H new ATOM 0 HG3 LYS A 62 -7.915 7.256 -6.782 1.00 0.50 H new ATOM 0 HD2 LYS A 62 -7.161 7.763 -4.044 1.00 0.57 H new ATOM 0 HD3 LYS A 62 -8.466 8.853 -4.468 1.00 0.57 H new ATOM 0 HE2 LYS A 62 -8.903 6.119 -5.472 1.00 0.97 H new ATOM 0 HE3 LYS A 62 -8.730 6.175 -3.730 1.00 0.97 H new ATOM 0 HZ1 LYS A 62 -11.029 6.463 -4.391 1.00 0.82 H new ATOM 0 HZ2 LYS A 62 -10.461 7.876 -3.640 1.00 0.82 H new ATOM 0 HZ3 LYS A 62 -10.629 7.821 -5.329 1.00 0.82 H new ATOM 1049 N GLY A 63 -6.775 4.644 -4.913 1.00 0.30 N ATOM 1050 CA GLY A 63 -7.662 3.529 -5.198 1.00 0.39 C ATOM 1051 C GLY A 63 -6.933 2.256 -5.576 1.00 0.39 C ATOM 1052 O GLY A 63 -7.540 1.326 -6.103 1.00 0.68 O ATOM 0 H GLY A 63 -6.594 4.804 -3.922 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -8.283 3.336 -4.323 1.00 0.39 H new ATOM 0 HA3 GLY A 63 -8.334 3.808 -6.010 1.00 0.39 H new ATOM 1056 N ASP A 64 -5.639 2.202 -5.295 1.00 0.33 N ATOM 1057 CA ASP A 64 -4.844 1.023 -5.608 1.00 0.35 C ATOM 1058 C ASP A 64 -4.459 0.269 -4.338 1.00 0.32 C ATOM 1059 O ASP A 64 -4.272 0.868 -3.279 1.00 0.49 O ATOM 1060 CB ASP A 64 -3.584 1.422 -6.378 1.00 0.41 C ATOM 1061 CG ASP A 64 -3.224 0.421 -7.459 1.00 1.12 C ATOM 1062 OD1 ASP A 64 -3.134 -0.785 -7.144 1.00 2.00 O ATOM 1063 OD2 ASP A 64 -3.031 0.842 -8.618 1.00 1.51 O ATOM 0 H ASP A 64 -5.118 2.959 -4.852 1.00 0.33 H new ATOM 0 HA ASP A 64 -5.450 0.364 -6.230 1.00 0.35 H new ATOM 0 HB2 ASP A 64 -3.733 2.402 -6.830 1.00 0.41 H new ATOM 0 HB3 ASP A 64 -2.751 1.516 -5.682 1.00 0.41 H new ATOM 1068 N LEU A 65 -4.357 -1.052 -4.451 1.00 0.29 N ATOM 1069 CA LEU A 65 -3.967 -1.891 -3.321 1.00 0.26 C ATOM 1070 C LEU A 65 -2.902 -2.898 -3.753 1.00 0.24 C ATOM 1071 O LEU A 65 -2.913 -3.378 -4.885 1.00 0.27 O ATOM 1072 CB LEU A 65 -5.184 -2.601 -2.713 1.00 0.31 C ATOM 1073 CG LEU A 65 -5.574 -3.939 -3.349 1.00 0.53 C ATOM 1074 CD1 LEU A 65 -6.833 -4.480 -2.692 1.00 0.47 C ATOM 1075 CD2 LEU A 65 -5.772 -3.788 -4.847 1.00 0.37 C ATOM 0 H LEU A 65 -4.539 -1.565 -5.314 1.00 0.29 H new ATOM 0 HA LEU A 65 -3.542 -1.251 -2.548 1.00 0.26 H new ATOM 0 HB2 LEU A 65 -4.989 -2.769 -1.654 1.00 0.31 H new ATOM 0 HB3 LEU A 65 -6.040 -1.929 -2.777 1.00 0.31 H new ATOM 0 HG LEU A 65 -4.763 -4.649 -3.189 1.00 0.53 H new ATOM 0 HD11 LEU A 65 -7.103 -5.431 -3.151 1.00 0.47 H new ATOM 0 HD12 LEU A 65 -6.653 -4.629 -1.627 1.00 0.47 H new ATOM 0 HD13 LEU A 65 -7.648 -3.769 -2.826 1.00 0.47 H new ATOM 0 HD21 LEU A 65 -6.048 -4.751 -5.276 1.00 0.37 H new ATOM 0 HD22 LEU A 65 -6.565 -3.065 -5.038 1.00 0.37 H new ATOM 0 HD23 LEU A 65 -4.845 -3.440 -5.303 1.00 0.37 H new ATOM 1087 N VAL A 66 -1.976 -3.196 -2.851 1.00 0.22 N ATOM 1088 CA VAL A 66 -0.874 -4.098 -3.161 1.00 0.24 C ATOM 1089 C VAL A 66 -0.649 -5.133 -2.064 1.00 0.22 C ATOM 1090 O VAL A 66 -0.947 -4.896 -0.893 1.00 0.24 O ATOM 1091 CB VAL A 66 0.431 -3.317 -3.385 1.00 0.29 C ATOM 1092 CG1 VAL A 66 1.584 -4.259 -3.695 1.00 0.54 C ATOM 1093 CG2 VAL A 66 0.248 -2.306 -4.500 1.00 0.30 C ATOM 0 H VAL A 66 -1.966 -2.827 -1.900 1.00 0.22 H new ATOM 0 HA VAL A 66 -1.154 -4.620 -4.076 1.00 0.24 H new ATOM 0 HB VAL A 66 0.676 -2.784 -2.466 1.00 0.29 H new ATOM 0 HG11 VAL A 66 2.495 -3.681 -3.849 1.00 0.54 H new ATOM 0 HG12 VAL A 66 1.727 -4.946 -2.861 1.00 0.54 H new ATOM 0 HG13 VAL A 66 1.358 -4.827 -4.598 1.00 0.54 H new ATOM 0 HG21 VAL A 66 1.178 -1.758 -4.651 1.00 0.30 H new ATOM 0 HG22 VAL A 66 -0.021 -2.824 -5.420 1.00 0.30 H new ATOM 0 HG23 VAL A 66 -0.545 -1.608 -4.232 1.00 0.30 H new ATOM 1103 N THR A 67 -0.126 -6.288 -2.465 1.00 0.24 N ATOM 1104 CA THR A 67 0.175 -7.366 -1.535 1.00 0.24 C ATOM 1105 C THR A 67 1.684 -7.496 -1.347 1.00 0.27 C ATOM 1106 O THR A 67 2.457 -7.181 -2.248 1.00 0.32 O ATOM 1107 CB THR A 67 -0.407 -8.685 -2.057 1.00 0.22 C ATOM 1108 OG1 THR A 67 -1.822 -8.662 -1.999 1.00 0.29 O ATOM 1109 CG2 THR A 67 0.063 -9.905 -1.292 1.00 0.25 C ATOM 0 H THR A 67 0.099 -6.500 -3.437 1.00 0.24 H new ATOM 0 HA THR A 67 -0.278 -7.136 -0.571 1.00 0.24 H new ATOM 0 HB THR A 67 -0.049 -8.767 -3.083 1.00 0.22 H new ATOM 0 HG1 THR A 67 -2.152 -9.537 -1.707 1.00 0.29 H new ATOM 0 HG21 THR A 67 -0.391 -10.799 -1.719 1.00 0.25 H new ATOM 0 HG22 THR A 67 1.148 -9.981 -1.360 1.00 0.25 H new ATOM 0 HG23 THR A 67 -0.230 -9.814 -0.246 1.00 0.25 H new ATOM 1117 N PHE A 68 2.101 -7.931 -0.165 1.00 0.31 N ATOM 1118 CA PHE A 68 3.521 -8.108 0.115 1.00 0.39 C ATOM 1119 C PHE A 68 3.753 -9.313 1.024 1.00 0.37 C ATOM 1120 O PHE A 68 2.927 -9.621 1.884 1.00 0.40 O ATOM 1121 CB PHE A 68 4.103 -6.844 0.749 1.00 0.55 C ATOM 1122 CG PHE A 68 3.504 -5.569 0.222 1.00 0.49 C ATOM 1123 CD1 PHE A 68 2.287 -5.108 0.699 1.00 0.62 C ATOM 1124 CD2 PHE A 68 4.157 -4.834 -0.755 1.00 0.53 C ATOM 1125 CE1 PHE A 68 1.734 -3.937 0.213 1.00 0.67 C ATOM 1126 CE2 PHE A 68 3.609 -3.663 -1.243 1.00 0.55 C ATOM 1127 CZ PHE A 68 2.396 -3.210 -0.748 1.00 0.57 C ATOM 0 H PHE A 68 1.482 -8.166 0.611 1.00 0.31 H new ATOM 0 HA PHE A 68 4.031 -8.292 -0.831 1.00 0.39 H new ATOM 0 HB2 PHE A 68 3.951 -6.887 1.828 1.00 0.55 H new ATOM 0 HB3 PHE A 68 5.179 -6.826 0.579 1.00 0.55 H new ATOM 0 HD1 PHE A 68 1.764 -5.670 1.459 1.00 0.62 H new ATOM 0 HD2 PHE A 68 5.105 -5.180 -1.139 1.00 0.53 H new ATOM 0 HE1 PHE A 68 0.781 -3.594 0.589 1.00 0.67 H new ATOM 0 HE2 PHE A 68 4.125 -3.102 -2.008 1.00 0.55 H new ATOM 0 HZ PHE A 68 1.972 -2.288 -1.117 1.00 0.57 H new ATOM 1137 N PRO A 69 4.886 -10.013 0.843 1.00 0.39 N ATOM 1138 CA PRO A 69 5.219 -11.200 1.620 1.00 0.43 C ATOM 1139 C PRO A 69 6.042 -10.889 2.864 1.00 0.48 C ATOM 1140 O PRO A 69 6.957 -10.068 2.829 1.00 0.63 O ATOM 1141 CB PRO A 69 6.048 -12.008 0.629 1.00 0.50 C ATOM 1142 CG PRO A 69 6.766 -10.982 -0.187 1.00 0.50 C ATOM 1143 CD PRO A 69 5.918 -9.730 -0.169 1.00 0.43 C ATOM 0 HA PRO A 69 4.332 -11.706 2.001 1.00 0.43 H new ATOM 0 HB2 PRO A 69 6.748 -12.667 1.142 1.00 0.50 H new ATOM 0 HB3 PRO A 69 5.415 -12.639 0.005 1.00 0.50 H new ATOM 0 HG2 PRO A 69 7.755 -10.784 0.226 1.00 0.50 H new ATOM 0 HG3 PRO A 69 6.912 -11.334 -1.208 1.00 0.50 H new ATOM 0 HD2 PRO A 69 6.507 -8.852 0.097 1.00 0.43 H new ATOM 0 HD3 PRO A 69 5.476 -9.533 -1.146 1.00 0.43 H new ATOM 1151 N LYS A 70 5.733 -11.585 3.954 1.00 0.44 N ATOM 1152 CA LYS A 70 6.451 -11.413 5.214 1.00 0.49 C ATOM 1153 C LYS A 70 7.963 -11.392 4.994 1.00 0.51 C ATOM 1154 O LYS A 70 8.552 -12.392 4.584 1.00 0.69 O ATOM 1155 CB LYS A 70 6.091 -12.545 6.179 1.00 0.61 C ATOM 1156 CG LYS A 70 5.883 -12.080 7.610 1.00 0.82 C ATOM 1157 CD LYS A 70 5.912 -13.246 8.584 1.00 0.78 C ATOM 1158 CE LYS A 70 6.933 -13.025 9.687 1.00 1.10 C ATOM 1159 NZ LYS A 70 8.239 -13.666 9.370 1.00 1.62 N ATOM 0 H LYS A 70 4.985 -12.278 3.990 1.00 0.44 H new ATOM 0 HA LYS A 70 6.153 -10.455 5.641 1.00 0.49 H new ATOM 0 HB2 LYS A 70 5.182 -13.035 5.829 1.00 0.61 H new ATOM 0 HB3 LYS A 70 6.883 -13.293 6.160 1.00 0.61 H new ATOM 0 HG2 LYS A 70 6.659 -11.362 7.877 1.00 0.82 H new ATOM 0 HG3 LYS A 70 4.928 -11.561 7.690 1.00 0.82 H new ATOM 0 HD2 LYS A 70 4.923 -13.379 9.023 1.00 0.78 H new ATOM 0 HD3 LYS A 70 6.148 -14.164 8.047 1.00 0.78 H new ATOM 0 HE2 LYS A 70 7.080 -11.955 9.837 1.00 1.10 H new ATOM 0 HE3 LYS A 70 6.549 -13.428 10.624 1.00 1.10 H new ATOM 0 HZ1 LYS A 70 8.908 -13.492 10.147 1.00 1.62 H new ATOM 0 HZ2 LYS A 70 8.103 -14.690 9.252 1.00 1.62 H new ATOM 0 HZ3 LYS A 70 8.619 -13.263 8.489 1.00 1.62 H new ATOM 1173 N GLY A 71 8.586 -10.251 5.276 1.00 0.46 N ATOM 1174 CA GLY A 71 10.025 -10.136 5.119 1.00 0.46 C ATOM 1175 C GLY A 71 10.427 -9.114 4.073 1.00 0.36 C ATOM 1176 O GLY A 71 11.500 -8.515 4.165 1.00 0.36 O ATOM 0 H GLY A 71 8.121 -9.406 5.609 1.00 0.46 H new ATOM 0 HA2 GLY A 71 10.469 -9.862 6.076 1.00 0.46 H new ATOM 0 HA3 GLY A 71 10.434 -11.108 4.845 1.00 0.46 H new ATOM 1180 N LEU A 72 9.570 -8.912 3.077 1.00 0.36 N ATOM 1181 CA LEU A 72 9.850 -7.961 2.002 1.00 0.34 C ATOM 1182 C LEU A 72 10.361 -6.629 2.559 1.00 0.31 C ATOM 1183 O LEU A 72 9.766 -6.050 3.464 1.00 0.60 O ATOM 1184 CB LEU A 72 8.582 -7.748 1.154 1.00 0.43 C ATOM 1185 CG LEU A 72 8.544 -6.484 0.283 1.00 0.51 C ATOM 1186 CD1 LEU A 72 9.922 -6.147 -0.269 1.00 1.13 C ATOM 1187 CD2 LEU A 72 7.560 -6.662 -0.863 1.00 1.08 C ATOM 0 H LEU A 72 8.675 -9.393 2.990 1.00 0.36 H new ATOM 0 HA LEU A 72 10.636 -8.374 1.369 1.00 0.34 H new ATOM 0 HB2 LEU A 72 8.457 -8.614 0.504 1.00 0.43 H new ATOM 0 HB3 LEU A 72 7.723 -7.726 1.825 1.00 0.43 H new ATOM 0 HG LEU A 72 8.218 -5.657 0.914 1.00 0.51 H new ATOM 0 HD11 LEU A 72 9.859 -5.247 -0.881 1.00 1.13 H new ATOM 0 HD12 LEU A 72 10.613 -5.977 0.557 1.00 1.13 H new ATOM 0 HD13 LEU A 72 10.282 -6.976 -0.879 1.00 1.13 H new ATOM 0 HD21 LEU A 72 7.543 -5.758 -1.472 1.00 1.08 H new ATOM 0 HD22 LEU A 72 7.867 -7.508 -1.478 1.00 1.08 H new ATOM 0 HD23 LEU A 72 6.564 -6.847 -0.462 1.00 1.08 H new ATOM 1199 N ARG A 73 11.480 -6.159 2.014 1.00 0.26 N ATOM 1200 CA ARG A 73 12.061 -4.890 2.436 1.00 0.23 C ATOM 1201 C ARG A 73 12.177 -3.935 1.251 1.00 0.20 C ATOM 1202 O ARG A 73 12.906 -4.200 0.296 1.00 0.24 O ATOM 1203 CB ARG A 73 13.440 -5.116 3.060 1.00 0.27 C ATOM 1204 CG ARG A 73 13.946 -3.929 3.864 1.00 0.43 C ATOM 1205 CD ARG A 73 15.449 -3.756 3.716 1.00 0.68 C ATOM 1206 NE ARG A 73 15.911 -2.484 4.263 1.00 1.54 N ATOM 1207 CZ ARG A 73 17.191 -2.137 4.337 1.00 2.09 C ATOM 1208 NH1 ARG A 73 18.131 -2.964 3.901 1.00 2.40 N ATOM 1209 NH2 ARG A 73 17.534 -0.962 4.847 1.00 2.73 N ATOM 0 H ARG A 73 12.001 -6.638 1.280 1.00 0.26 H new ATOM 0 HA ARG A 73 11.404 -4.445 3.183 1.00 0.23 H new ATOM 0 HB2 ARG A 73 13.397 -5.991 3.708 1.00 0.27 H new ATOM 0 HB3 ARG A 73 14.155 -5.340 2.269 1.00 0.27 H new ATOM 0 HG2 ARG A 73 13.440 -3.022 3.533 1.00 0.43 H new ATOM 0 HG3 ARG A 73 13.696 -4.068 4.916 1.00 0.43 H new ATOM 0 HD2 ARG A 73 15.960 -4.575 4.223 1.00 0.68 H new ATOM 0 HD3 ARG A 73 15.718 -3.816 2.662 1.00 0.68 H new ATOM 0 HE ARG A 73 15.212 -1.825 4.607 1.00 1.54 H new ATOM 0 HH11 ARG A 73 17.872 -3.869 3.508 1.00 2.40 H new ATOM 0 HH12 ARG A 73 19.113 -2.695 3.959 1.00 2.40 H new ATOM 0 HH21 ARG A 73 16.814 -0.322 5.184 1.00 2.73 H new ATOM 0 HH22 ARG A 73 18.518 -0.698 4.903 1.00 2.73 H new ATOM 1223 N CYS A 74 11.444 -2.827 1.315 1.00 0.20 N ATOM 1224 CA CYS A 74 11.454 -1.842 0.238 1.00 0.22 C ATOM 1225 C CYS A 74 11.282 -0.427 0.783 1.00 0.24 C ATOM 1226 O CYS A 74 10.804 -0.233 1.900 1.00 0.31 O ATOM 1227 CB CYS A 74 10.346 -2.148 -0.774 1.00 0.27 C ATOM 1228 SG CYS A 74 8.819 -2.773 -0.035 1.00 0.63 S ATOM 0 H CYS A 74 10.837 -2.589 2.099 1.00 0.20 H new ATOM 0 HA CYS A 74 12.422 -1.902 -0.260 1.00 0.22 H new ATOM 0 HB2 CYS A 74 10.120 -1.241 -1.334 1.00 0.27 H new ATOM 0 HB3 CYS A 74 10.716 -2.881 -1.491 1.00 0.27 H new ATOM 0 HG CYS A 74 7.833 -2.602 -0.865 1.00 0.63 H new ATOM 1234 N ARG A 75 11.684 0.557 -0.015 1.00 0.25 N ATOM 1235 CA ARG A 75 11.582 1.957 0.379 1.00 0.28 C ATOM 1236 C ARG A 75 10.387 2.630 -0.293 1.00 0.31 C ATOM 1237 O ARG A 75 10.281 2.641 -1.519 1.00 0.37 O ATOM 1238 CB ARG A 75 12.872 2.699 0.011 1.00 0.33 C ATOM 1239 CG ARG A 75 12.793 4.206 0.202 1.00 0.54 C ATOM 1240 CD ARG A 75 12.116 4.882 -0.980 1.00 0.99 C ATOM 1241 NE ARG A 75 12.892 6.010 -1.487 1.00 1.50 N ATOM 1242 CZ ARG A 75 13.932 5.881 -2.306 1.00 1.80 C ATOM 1243 NH1 ARG A 75 14.319 4.677 -2.705 1.00 2.25 N ATOM 1244 NH2 ARG A 75 14.585 6.956 -2.726 1.00 2.32 N ATOM 0 H ARG A 75 12.085 0.409 -0.941 1.00 0.25 H new ATOM 0 HA ARG A 75 11.435 1.997 1.458 1.00 0.28 H new ATOM 0 HB2 ARG A 75 13.690 2.308 0.617 1.00 0.33 H new ATOM 0 HB3 ARG A 75 13.117 2.487 -1.030 1.00 0.33 H new ATOM 0 HG2 ARG A 75 12.242 4.430 1.115 1.00 0.54 H new ATOM 0 HG3 ARG A 75 13.797 4.611 0.328 1.00 0.54 H new ATOM 0 HD2 ARG A 75 11.971 4.154 -1.779 1.00 0.99 H new ATOM 0 HD3 ARG A 75 11.127 5.229 -0.681 1.00 0.99 H new ATOM 0 HE ARG A 75 12.621 6.950 -1.197 1.00 1.50 H new ATOM 0 HH11 ARG A 75 13.819 3.848 -2.384 1.00 2.25 H new ATOM 0 HH12 ARG A 75 15.117 4.580 -3.333 1.00 2.25 H new ATOM 0 HH21 ARG A 75 14.290 7.884 -2.421 1.00 2.32 H new ATOM 0 HH22 ARG A 75 15.382 6.855 -3.354 1.00 2.32 H new ATOM 1258 N TRP A 76 9.496 3.197 0.515 1.00 0.41 N ATOM 1259 CA TRP A 76 8.325 3.891 -0.012 1.00 0.48 C ATOM 1260 C TRP A 76 8.526 5.399 0.035 1.00 0.38 C ATOM 1261 O TRP A 76 9.238 5.920 0.894 1.00 0.49 O ATOM 1262 CB TRP A 76 7.062 3.517 0.762 1.00 0.72 C ATOM 1263 CG TRP A 76 6.517 2.169 0.404 1.00 0.63 C ATOM 1264 CD1 TRP A 76 7.233 1.045 0.114 1.00 0.97 C ATOM 1265 CD2 TRP A 76 5.135 1.805 0.294 1.00 0.89 C ATOM 1266 NE1 TRP A 76 6.382 0.003 -0.168 1.00 1.28 N ATOM 1267 CE2 TRP A 76 5.089 0.445 -0.064 1.00 1.28 C ATOM 1268 CE3 TRP A 76 3.932 2.498 0.466 1.00 1.19 C ATOM 1269 CZ2 TRP A 76 3.889 -0.235 -0.255 1.00 1.78 C ATOM 1270 CZ3 TRP A 76 2.742 1.821 0.276 1.00 1.71 C ATOM 1271 CH2 TRP A 76 2.728 0.467 -0.081 1.00 1.95 C ATOM 0 H TRP A 76 9.562 3.190 1.533 1.00 0.41 H new ATOM 0 HA TRP A 76 8.201 3.579 -1.049 1.00 0.48 H new ATOM 0 HB2 TRP A 76 7.280 3.540 1.830 1.00 0.72 H new ATOM 0 HB3 TRP A 76 6.296 4.270 0.577 1.00 0.72 H new ATOM 0 HD1 TRP A 76 8.311 0.983 0.107 1.00 0.97 H new ATOM 0 HE1 TRP A 76 6.667 -0.945 -0.415 1.00 1.28 H new ATOM 0 HE3 TRP A 76 3.933 3.542 0.742 1.00 1.19 H new ATOM 0 HZ2 TRP A 76 3.875 -1.279 -0.531 1.00 1.78 H new ATOM 0 HZ3 TRP A 76 1.807 2.345 0.405 1.00 1.71 H new ATOM 0 HH2 TRP A 76 1.781 -0.033 -0.222 1.00 1.95 H new ATOM 1282 N LYS A 77 7.898 6.086 -0.903 1.00 0.35 N ATOM 1283 CA LYS A 77 8.007 7.534 -1.010 1.00 0.32 C ATOM 1284 C LYS A 77 6.748 8.099 -1.641 1.00 0.28 C ATOM 1285 O LYS A 77 6.296 7.605 -2.669 1.00 0.37 O ATOM 1286 CB LYS A 77 9.231 7.925 -1.850 1.00 0.42 C ATOM 1287 CG LYS A 77 9.666 6.861 -2.853 1.00 0.62 C ATOM 1288 CD LYS A 77 9.791 7.437 -4.254 1.00 0.67 C ATOM 1289 CE LYS A 77 10.802 6.664 -5.087 1.00 0.84 C ATOM 1290 NZ LYS A 77 11.864 7.552 -5.635 1.00 1.58 N ATOM 0 H LYS A 77 7.300 5.660 -1.611 1.00 0.35 H new ATOM 0 HA LYS A 77 8.128 7.948 -0.009 1.00 0.32 H new ATOM 0 HB2 LYS A 77 9.009 8.847 -2.388 1.00 0.42 H new ATOM 0 HB3 LYS A 77 10.064 8.139 -1.180 1.00 0.42 H new ATOM 0 HG2 LYS A 77 10.622 6.438 -2.545 1.00 0.62 H new ATOM 0 HG3 LYS A 77 8.943 6.045 -2.857 1.00 0.62 H new ATOM 0 HD2 LYS A 77 8.819 7.413 -4.746 1.00 0.67 H new ATOM 0 HD3 LYS A 77 10.092 8.483 -4.193 1.00 0.67 H new ATOM 0 HE2 LYS A 77 11.259 5.887 -4.474 1.00 0.84 H new ATOM 0 HE3 LYS A 77 10.289 6.163 -5.908 1.00 0.84 H new ATOM 0 HZ1 LYS A 77 12.533 6.987 -6.196 1.00 1.58 H new ATOM 0 HZ2 LYS A 77 11.431 8.278 -6.240 1.00 1.58 H new ATOM 0 HZ3 LYS A 77 12.371 8.011 -4.852 1.00 1.58 H new ATOM 1304 N VAL A 78 6.159 9.113 -1.016 1.00 0.28 N ATOM 1305 CA VAL A 78 4.933 9.684 -1.544 1.00 0.27 C ATOM 1306 C VAL A 78 5.167 11.055 -2.152 1.00 0.25 C ATOM 1307 O VAL A 78 5.796 11.925 -1.551 1.00 0.35 O ATOM 1308 CB VAL A 78 3.823 9.759 -0.485 1.00 0.39 C ATOM 1309 CG1 VAL A 78 3.364 8.361 -0.107 1.00 0.58 C ATOM 1310 CG2 VAL A 78 4.290 10.518 0.738 1.00 0.91 C ATOM 0 H VAL A 78 6.505 9.547 -0.160 1.00 0.28 H new ATOM 0 HA VAL A 78 4.600 9.009 -2.332 1.00 0.27 H new ATOM 0 HB VAL A 78 2.978 10.301 -0.911 1.00 0.39 H new ATOM 0 HG11 VAL A 78 2.577 8.427 0.644 1.00 0.58 H new ATOM 0 HG12 VAL A 78 2.980 7.853 -0.991 1.00 0.58 H new ATOM 0 HG13 VAL A 78 4.206 7.799 0.298 1.00 0.58 H new ATOM 0 HG21 VAL A 78 3.485 10.556 1.472 1.00 0.91 H new ATOM 0 HG22 VAL A 78 5.153 10.013 1.172 1.00 0.91 H new ATOM 0 HG23 VAL A 78 4.569 11.532 0.452 1.00 0.91 H new ATOM 1320 N LEU A 79 4.677 11.218 -3.371 1.00 0.21 N ATOM 1321 CA LEU A 79 4.804 12.469 -4.097 1.00 0.21 C ATOM 1322 C LEU A 79 3.634 13.395 -3.769 1.00 0.21 C ATOM 1323 O LEU A 79 3.704 14.603 -3.991 1.00 0.39 O ATOM 1324 CB LEU A 79 4.855 12.198 -5.605 1.00 0.24 C ATOM 1325 CG LEU A 79 6.076 11.407 -6.099 1.00 0.44 C ATOM 1326 CD1 LEU A 79 6.248 10.114 -5.316 1.00 0.51 C ATOM 1327 CD2 LEU A 79 5.945 11.104 -7.581 1.00 0.38 C ATOM 0 H LEU A 79 4.181 10.488 -3.883 1.00 0.21 H new ATOM 0 HA LEU A 79 5.730 12.957 -3.793 1.00 0.21 H new ATOM 0 HB2 LEU A 79 3.954 11.654 -5.888 1.00 0.24 H new ATOM 0 HB3 LEU A 79 4.828 13.154 -6.128 1.00 0.24 H new ATOM 0 HG LEU A 79 6.961 12.023 -5.938 1.00 0.44 H new ATOM 0 HD11 LEU A 79 7.120 9.576 -5.688 1.00 0.51 H new ATOM 0 HD12 LEU A 79 6.387 10.344 -4.260 1.00 0.51 H new ATOM 0 HD13 LEU A 79 5.360 9.494 -5.438 1.00 0.51 H new ATOM 0 HD21 LEU A 79 6.818 10.543 -7.916 1.00 0.38 H new ATOM 0 HD22 LEU A 79 5.046 10.513 -7.753 1.00 0.38 H new ATOM 0 HD23 LEU A 79 5.878 12.038 -8.139 1.00 0.38 H new ATOM 1339 N GLU A 80 2.561 12.815 -3.226 1.00 0.18 N ATOM 1340 CA GLU A 80 1.371 13.577 -2.870 1.00 0.18 C ATOM 1341 C GLU A 80 0.802 13.088 -1.546 1.00 0.16 C ATOM 1342 O GLU A 80 0.897 11.902 -1.228 1.00 0.19 O ATOM 1343 CB GLU A 80 0.316 13.419 -3.960 1.00 0.24 C ATOM 1344 CG GLU A 80 0.756 13.943 -5.317 1.00 0.93 C ATOM 1345 CD GLU A 80 0.134 15.282 -5.659 1.00 1.67 C ATOM 1346 OE1 GLU A 80 -0.696 15.771 -4.864 1.00 2.16 O ATOM 1347 OE2 GLU A 80 0.475 15.843 -6.723 1.00 2.24 O ATOM 0 H GLU A 80 2.496 11.817 -3.024 1.00 0.18 H new ATOM 0 HA GLU A 80 1.647 14.627 -2.771 1.00 0.18 H new ATOM 0 HB2 GLU A 80 0.059 12.364 -4.054 1.00 0.24 H new ATOM 0 HB3 GLU A 80 -0.590 13.942 -3.655 1.00 0.24 H new ATOM 0 HG2 GLU A 80 1.842 14.038 -5.330 1.00 0.93 H new ATOM 0 HG3 GLU A 80 0.490 13.217 -6.085 1.00 0.93 H new ATOM 1354 N PRO A 81 0.198 13.991 -0.748 1.00 0.20 N ATOM 1355 CA PRO A 81 -0.422 13.626 0.529 1.00 0.22 C ATOM 1356 C PRO A 81 -1.154 12.296 0.421 1.00 0.20 C ATOM 1357 O PRO A 81 -2.090 12.156 -0.365 1.00 0.22 O ATOM 1358 CB PRO A 81 -1.389 14.778 0.775 1.00 0.28 C ATOM 1359 CG PRO A 81 -0.712 15.953 0.153 1.00 0.33 C ATOM 1360 CD PRO A 81 0.021 15.424 -1.055 1.00 0.28 C ATOM 0 HA PRO A 81 0.296 13.490 1.338 1.00 0.22 H new ATOM 0 HB2 PRO A 81 -2.361 14.589 0.318 1.00 0.28 H new ATOM 0 HB3 PRO A 81 -1.562 14.934 1.840 1.00 0.28 H new ATOM 0 HG2 PRO A 81 -1.438 16.714 -0.134 1.00 0.33 H new ATOM 0 HG3 PRO A 81 -0.021 16.420 0.854 1.00 0.33 H new ATOM 0 HD2 PRO A 81 -0.553 15.571 -1.970 1.00 0.28 H new ATOM 0 HD3 PRO A 81 0.978 15.926 -1.196 1.00 0.28 H new ATOM 1368 N VAL A 82 -0.670 11.302 1.152 1.00 0.20 N ATOM 1369 CA VAL A 82 -1.183 9.952 1.017 1.00 0.19 C ATOM 1370 C VAL A 82 -2.125 9.559 2.159 1.00 0.18 C ATOM 1371 O VAL A 82 -1.871 9.848 3.327 1.00 0.24 O ATOM 1372 CB VAL A 82 0.004 8.946 0.876 1.00 0.24 C ATOM 1373 CG1 VAL A 82 0.201 8.048 2.097 1.00 0.31 C ATOM 1374 CG2 VAL A 82 -0.172 8.105 -0.379 1.00 0.34 C ATOM 0 H VAL A 82 0.074 11.407 1.841 1.00 0.20 H new ATOM 0 HA VAL A 82 -1.787 9.915 0.110 1.00 0.19 H new ATOM 0 HB VAL A 82 0.909 9.548 0.798 1.00 0.24 H new ATOM 0 HG11 VAL A 82 1.043 7.378 1.924 1.00 0.31 H new ATOM 0 HG12 VAL A 82 0.402 8.664 2.973 1.00 0.31 H new ATOM 0 HG13 VAL A 82 -0.702 7.461 2.266 1.00 0.31 H new ATOM 0 HG21 VAL A 82 0.660 7.407 -0.469 1.00 0.34 H new ATOM 0 HG22 VAL A 82 -1.107 7.549 -0.316 1.00 0.34 H new ATOM 0 HG23 VAL A 82 -0.195 8.756 -1.253 1.00 0.34 H new ATOM 1384 N ARG A 83 -3.192 8.859 1.791 1.00 0.14 N ATOM 1385 CA ARG A 83 -4.148 8.333 2.752 1.00 0.17 C ATOM 1386 C ARG A 83 -4.397 6.862 2.443 1.00 0.22 C ATOM 1387 O ARG A 83 -4.940 6.527 1.392 1.00 0.25 O ATOM 1388 CB ARG A 83 -5.457 9.121 2.702 1.00 0.20 C ATOM 1389 CG ARG A 83 -5.407 10.419 3.491 1.00 0.62 C ATOM 1390 CD ARG A 83 -6.147 10.295 4.814 1.00 0.92 C ATOM 1391 NE ARG A 83 -7.501 10.836 4.738 1.00 1.25 N ATOM 1392 CZ ARG A 83 -7.770 12.114 4.493 1.00 1.71 C ATOM 1393 NH1 ARG A 83 -6.782 12.976 4.303 1.00 2.02 N ATOM 1394 NH2 ARG A 83 -9.029 12.529 4.437 1.00 2.42 N ATOM 0 H ARG A 83 -3.416 8.642 0.820 1.00 0.14 H new ATOM 0 HA ARG A 83 -3.741 8.432 3.758 1.00 0.17 H new ATOM 0 HB2 ARG A 83 -5.699 9.344 1.663 1.00 0.20 H new ATOM 0 HB3 ARG A 83 -6.263 8.498 3.090 1.00 0.20 H new ATOM 0 HG2 ARG A 83 -4.369 10.693 3.678 1.00 0.62 H new ATOM 0 HG3 ARG A 83 -5.847 11.222 2.900 1.00 0.62 H new ATOM 0 HD2 ARG A 83 -6.192 9.246 5.107 1.00 0.92 H new ATOM 0 HD3 ARG A 83 -5.590 10.819 5.591 1.00 0.92 H new ATOM 0 HE ARG A 83 -8.284 10.198 4.881 1.00 1.25 H new ATOM 0 HH11 ARG A 83 -5.813 12.659 4.345 1.00 2.02 H new ATOM 0 HH12 ARG A 83 -6.990 13.957 4.115 1.00 2.02 H new ATOM 0 HH21 ARG A 83 -9.791 11.867 4.582 1.00 2.42 H new ATOM 0 HH22 ARG A 83 -9.235 13.510 4.249 1.00 2.42 H new ATOM 1408 N LYS A 84 -3.932 5.980 3.323 1.00 0.28 N ATOM 1409 CA LYS A 84 -4.020 4.549 3.064 1.00 0.37 C ATOM 1410 C LYS A 84 -4.858 3.811 4.100 1.00 0.27 C ATOM 1411 O LYS A 84 -4.888 4.171 5.276 1.00 0.23 O ATOM 1412 CB LYS A 84 -2.614 3.949 3.022 1.00 0.56 C ATOM 1413 CG LYS A 84 -2.586 2.474 2.663 1.00 0.47 C ATOM 1414 CD LYS A 84 -1.507 2.173 1.636 1.00 0.91 C ATOM 1415 CE LYS A 84 -0.127 2.138 2.272 1.00 1.17 C ATOM 1416 NZ LYS A 84 0.558 3.457 2.183 1.00 1.63 N ATOM 0 H LYS A 84 -3.496 6.228 4.211 1.00 0.28 H new ATOM 0 HA LYS A 84 -4.518 4.427 2.102 1.00 0.37 H new ATOM 0 HB2 LYS A 84 -2.015 4.501 2.297 1.00 0.56 H new ATOM 0 HB3 LYS A 84 -2.142 4.085 3.995 1.00 0.56 H new ATOM 0 HG2 LYS A 84 -2.410 1.883 3.562 1.00 0.47 H new ATOM 0 HG3 LYS A 84 -3.558 2.175 2.270 1.00 0.47 H new ATOM 0 HD2 LYS A 84 -1.714 1.215 1.160 1.00 0.91 H new ATOM 0 HD3 LYS A 84 -1.528 2.930 0.852 1.00 0.91 H new ATOM 0 HE2 LYS A 84 -0.217 1.845 3.318 1.00 1.17 H new ATOM 0 HE3 LYS A 84 0.481 1.379 1.779 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 1.579 3.310 2.050 1.00 1.63 H new ATOM 0 HZ2 LYS A 84 0.177 3.992 1.377 1.00 1.63 H new ATOM 0 HZ3 LYS A 84 0.397 3.992 3.060 1.00 1.63 H new ATOM 1430 N HIS A 85 -5.505 2.744 3.642 1.00 0.28 N ATOM 1431 CA HIS A 85 -6.302 1.881 4.501 1.00 0.22 C ATOM 1432 C HIS A 85 -5.510 0.619 4.823 1.00 0.22 C ATOM 1433 O HIS A 85 -4.502 0.337 4.175 1.00 0.27 O ATOM 1434 CB HIS A 85 -7.626 1.535 3.822 1.00 0.28 C ATOM 1435 CG HIS A 85 -8.474 2.734 3.536 1.00 0.31 C ATOM 1436 ND1 HIS A 85 -9.834 2.769 3.767 1.00 0.41 N ATOM 1437 CD2 HIS A 85 -8.148 3.951 3.038 1.00 0.37 C ATOM 1438 CE1 HIS A 85 -10.306 3.954 3.421 1.00 0.50 C ATOM 1439 NE2 HIS A 85 -9.305 4.688 2.977 1.00 0.48 N ATOM 0 H HIS A 85 -5.490 2.455 2.664 1.00 0.28 H new ATOM 0 HA HIS A 85 -6.529 2.402 5.431 1.00 0.22 H new ATOM 0 HB2 HIS A 85 -7.422 1.012 2.888 1.00 0.28 H new ATOM 0 HB3 HIS A 85 -8.184 0.847 4.457 1.00 0.28 H new ATOM 0 HD2 HIS A 85 -7.162 4.280 2.744 1.00 0.37 H new ATOM 0 HE1 HIS A 85 -11.337 4.268 3.490 1.00 0.50 H new ATOM 0 HE2 HIS A 85 -9.378 5.649 2.642 1.00 0.48 H new ATOM 1448 N TYR A 86 -5.930 -0.120 5.843 1.00 0.22 N ATOM 1449 CA TYR A 86 -5.177 -1.294 6.265 1.00 0.26 C ATOM 1450 C TYR A 86 -5.968 -2.583 6.160 1.00 0.26 C ATOM 1451 O TYR A 86 -7.197 -2.590 6.139 1.00 0.30 O ATOM 1452 CB TYR A 86 -4.714 -1.126 7.709 1.00 0.36 C ATOM 1453 CG TYR A 86 -3.601 -0.125 7.903 1.00 0.37 C ATOM 1454 CD1 TYR A 86 -2.818 0.309 6.840 1.00 0.52 C ATOM 1455 CD2 TYR A 86 -3.326 0.378 9.165 1.00 0.64 C ATOM 1456 CE1 TYR A 86 -1.803 1.219 7.029 1.00 0.53 C ATOM 1457 CE2 TYR A 86 -2.312 1.288 9.365 1.00 0.72 C ATOM 1458 CZ TYR A 86 -1.551 1.708 8.294 1.00 0.48 C ATOM 1459 OH TYR A 86 -0.536 2.619 8.488 1.00 0.57 O ATOM 0 H TYR A 86 -6.773 0.068 6.385 1.00 0.22 H new ATOM 0 HA TYR A 86 -4.328 -1.370 5.586 1.00 0.26 H new ATOM 0 HB2 TYR A 86 -5.567 -0.823 8.317 1.00 0.36 H new ATOM 0 HB3 TYR A 86 -4.383 -2.094 8.085 1.00 0.36 H new ATOM 0 HD1 TYR A 86 -3.009 -0.074 5.849 1.00 0.52 H new ATOM 0 HD2 TYR A 86 -3.918 0.050 10.007 1.00 0.64 H new ATOM 0 HE1 TYR A 86 -1.207 1.549 6.191 1.00 0.53 H new ATOM 0 HE2 TYR A 86 -2.114 1.671 10.355 1.00 0.72 H new ATOM 0 HH TYR A 86 -0.917 3.516 8.590 1.00 0.57 H new ATOM 1469 N ASN A 87 -5.226 -3.678 6.149 1.00 0.27 N ATOM 1470 CA ASN A 87 -5.804 -5.013 6.088 1.00 0.27 C ATOM 1471 C ASN A 87 -4.771 -6.049 6.518 1.00 0.32 C ATOM 1472 O ASN A 87 -4.473 -6.991 5.785 1.00 0.39 O ATOM 1473 CB ASN A 87 -6.300 -5.317 4.673 1.00 0.26 C ATOM 1474 CG ASN A 87 -7.456 -6.298 4.666 1.00 0.39 C ATOM 1475 OD1 ASN A 87 -8.605 -5.924 4.898 1.00 1.27 O ATOM 1476 ND2 ASN A 87 -7.156 -7.563 4.396 1.00 1.00 N ATOM 0 H ASN A 87 -4.207 -3.668 6.182 1.00 0.27 H new ATOM 0 HA ASN A 87 -6.654 -5.057 6.769 1.00 0.27 H new ATOM 0 HB2 ASN A 87 -6.611 -4.389 4.192 1.00 0.26 H new ATOM 0 HB3 ASN A 87 -5.479 -5.723 4.082 1.00 0.26 H new ATOM 0 HD21 ASN A 87 -7.892 -8.268 4.375 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -6.189 -7.829 4.209 1.00 1.00 H new ATOM 1483 N LEU A 88 -4.209 -5.847 7.709 1.00 0.36 N ATOM 1484 CA LEU A 88 -3.177 -6.735 8.235 1.00 0.43 C ATOM 1485 C LEU A 88 -3.788 -7.920 8.973 1.00 0.49 C ATOM 1486 O LEU A 88 -4.854 -7.807 9.579 1.00 0.52 O ATOM 1487 CB LEU A 88 -2.232 -5.973 9.174 1.00 0.53 C ATOM 1488 CG LEU A 88 -2.208 -4.450 9.000 1.00 0.62 C ATOM 1489 CD1 LEU A 88 -1.178 -3.828 9.932 1.00 1.56 C ATOM 1490 CD2 LEU A 88 -1.916 -4.076 7.555 1.00 1.21 C ATOM 0 H LEU A 88 -4.453 -5.074 8.328 1.00 0.36 H new ATOM 0 HA LEU A 88 -2.608 -7.113 7.385 1.00 0.43 H new ATOM 0 HB2 LEU A 88 -2.512 -6.198 10.203 1.00 0.53 H new ATOM 0 HB3 LEU A 88 -1.221 -6.353 9.029 1.00 0.53 H new ATOM 0 HG LEU A 88 -3.192 -4.059 9.259 1.00 0.62 H new ATOM 0 HD11 LEU A 88 -1.172 -2.746 9.798 1.00 1.56 H new ATOM 0 HD12 LEU A 88 -1.433 -4.064 10.965 1.00 1.56 H new ATOM 0 HD13 LEU A 88 -0.190 -4.228 9.702 1.00 1.56 H new ATOM 0 HD21 LEU A 88 -1.904 -2.991 7.455 1.00 1.21 H new ATOM 0 HD22 LEU A 88 -0.945 -4.478 7.264 1.00 1.21 H new ATOM 0 HD23 LEU A 88 -2.689 -4.491 6.908 1.00 1.21 H new ATOM 1502 N PHE A 89 -3.109 -9.063 8.907 1.00 0.57 N ATOM 1503 CA PHE A 89 -3.579 -10.272 9.570 1.00 0.67 C ATOM 1504 C PHE A 89 -2.748 -10.572 10.812 1.00 1.02 C ATOM 1505 O PHE A 89 -3.271 -11.245 11.726 1.00 1.77 O ATOM 1506 CB PHE A 89 -3.523 -11.459 8.607 1.00 1.01 C ATOM 1507 CG PHE A 89 -4.193 -11.194 7.290 1.00 0.71 C ATOM 1508 CD1 PHE A 89 -5.457 -10.629 7.243 1.00 1.05 C ATOM 1509 CD2 PHE A 89 -3.559 -11.508 6.098 1.00 1.00 C ATOM 1510 CE1 PHE A 89 -6.077 -10.383 6.033 1.00 1.19 C ATOM 1511 CE2 PHE A 89 -4.175 -11.264 4.885 1.00 1.03 C ATOM 1512 CZ PHE A 89 -5.435 -10.701 4.853 1.00 0.93 C ATOM 1513 OXT PHE A 89 -1.579 -10.134 10.861 1.00 1.45 O ATOM 0 H PHE A 89 -2.231 -9.175 8.400 1.00 0.57 H new ATOM 0 HA PHE A 89 -4.612 -10.109 9.878 1.00 0.67 H new ATOM 0 HB2 PHE A 89 -2.481 -11.723 8.429 1.00 1.01 H new ATOM 0 HB3 PHE A 89 -3.994 -12.322 9.078 1.00 1.01 H new ATOM 0 HD1 PHE A 89 -5.964 -10.378 8.163 1.00 1.05 H new ATOM 0 HD2 PHE A 89 -2.573 -11.948 6.117 1.00 1.00 H new ATOM 0 HE1 PHE A 89 -7.063 -9.942 6.010 1.00 1.19 H new ATOM 0 HE2 PHE A 89 -3.671 -11.514 3.963 1.00 1.03 H new ATOM 0 HZ PHE A 89 -5.918 -10.510 3.906 1.00 0.93 H new