USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 591 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 34 TYR OH : rot 130:sc= 0.89 USER MOD Set 1.2: A 36 SER OG : rot 72:sc= 1.05 USER MOD Set 2.1: A 28 LYS NZ :NH3+ 151:sc= 1.05 (180deg=0) USER MOD Set 2.2: A 29 HIS : no HE2:sc= 0.344 K(o=2.6,f=-11!) USER MOD Set 2.3: A 61 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 2.36 (180deg=1.06) USER MOD Single : A 13 MET CE :methyl -163:sc= -0.183 (180deg=-0.534) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 97:sc= 0.32 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.328 F(o=-1.1,f=-0.33) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 52:sc= 1.22 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 35 CYS SG : rot -130:sc= -0.383 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.17 K(o=1.2,f=-0.065) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= 2.35 (180deg=1.03) USER MOD Single : A 45 HIS : no HE2:sc= 0.471 K(o=0.47,f=-5.4!) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 1.77 (180deg=1.61) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc=-0.000218 X(o=-0.00022,f=-0.28) USER MOD Single : A 64 SER OG : rot 74:sc= 1.24 USER MOD Single : A 70 SER OG : rot 1:sc= 1.18 USER MOD Single : A 73 LYS NZ :NH3+ -133:sc= -0.773 (180deg=-6.72!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.534 -17.184 -2.994 1.00 5.10 N ATOM 2 CA MET A 1 -5.640 -18.228 -3.524 1.00 4.28 C ATOM 3 C MET A 1 -4.451 -17.546 -4.186 1.00 3.59 C ATOM 4 O MET A 1 -3.315 -17.791 -3.791 1.00 4.38 O ATOM 5 CB MET A 1 -6.372 -19.194 -4.463 1.00 4.65 C ATOM 6 CG MET A 1 -5.423 -20.278 -4.991 1.00 5.54 C ATOM 7 SD MET A 1 -6.233 -21.613 -5.905 1.00 6.43 S ATOM 8 CE MET A 1 -4.788 -22.606 -6.338 1.00 7.63 C ATOM 0 H1 MET A 1 -7.141 -17.590 -2.253 1.00 5.10 H new ATOM 0 H2 MET A 1 -5.966 -16.412 -2.592 1.00 5.10 H new ATOM 0 H3 MET A 1 -7.128 -16.812 -3.763 1.00 5.10 H new ATOM 0 HA MET A 1 -5.280 -18.854 -2.707 1.00 4.28 H new ATOM 0 HB2 MET A 1 -7.203 -19.660 -3.934 1.00 4.65 H new ATOM 0 HB3 MET A 1 -6.798 -18.640 -5.300 1.00 4.65 H new ATOM 0 HG2 MET A 1 -4.683 -19.809 -5.639 1.00 5.54 H new ATOM 0 HG3 MET A 1 -4.882 -20.709 -4.149 1.00 5.54 H new ATOM 0 HE1 MET A 1 -5.104 -23.479 -6.910 1.00 7.63 H new ATOM 0 HE2 MET A 1 -4.102 -22.008 -6.938 1.00 7.63 H new ATOM 0 HE3 MET A 1 -4.284 -22.932 -5.428 1.00 7.63 H new ATOM 20 N GLY A 2 -4.739 -16.585 -5.064 1.00 3.19 N ATOM 21 CA GLY A 2 -3.981 -15.352 -5.028 1.00 3.48 C ATOM 22 C GLY A 2 -4.711 -14.521 -3.975 1.00 2.64 C ATOM 23 O GLY A 2 -4.908 -15.004 -2.852 1.00 3.01 O ATOM 0 H GLY A 2 -5.464 -16.638 -5.780 1.00 3.19 H new ATOM 0 HA2 GLY A 2 -2.941 -15.527 -4.752 1.00 3.48 H new ATOM 0 HA3 GLY A 2 -3.974 -14.856 -5.998 1.00 3.48 H new ATOM 27 N ASP A 3 -5.256 -13.367 -4.365 1.00 2.85 N ATOM 28 CA ASP A 3 -6.358 -12.724 -3.643 1.00 2.61 C ATOM 29 C ASP A 3 -5.946 -12.320 -2.217 1.00 2.27 C ATOM 30 O ASP A 3 -6.781 -12.283 -1.306 1.00 3.76 O ATOM 31 CB ASP A 3 -7.594 -13.654 -3.585 1.00 3.60 C ATOM 32 CG ASP A 3 -7.856 -14.472 -4.846 1.00 5.17 C ATOM 33 OD1 ASP A 3 -7.310 -15.603 -4.903 1.00 5.88 O ATOM 34 OD2 ASP A 3 -8.634 -13.986 -5.689 1.00 6.34 O ATOM 0 H ASP A 3 -4.947 -12.852 -5.189 1.00 2.85 H new ATOM 0 HA ASP A 3 -6.616 -11.819 -4.193 1.00 2.61 H new ATOM 0 HB2 ASP A 3 -7.473 -14.339 -2.746 1.00 3.60 H new ATOM 0 HB3 ASP A 3 -8.475 -13.047 -3.376 1.00 3.60 H new ATOM 39 N GLY A 4 -4.662 -12.038 -2.006 1.00 1.17 N ATOM 40 CA GLY A 4 -4.023 -12.042 -0.701 1.00 1.43 C ATOM 41 C GLY A 4 -4.287 -10.786 0.130 1.00 1.32 C ATOM 42 O GLY A 4 -5.154 -9.968 -0.186 1.00 1.86 O ATOM 0 H GLY A 4 -4.023 -11.794 -2.763 1.00 1.17 H new ATOM 0 HA2 GLY A 4 -4.368 -12.912 -0.143 1.00 1.43 H new ATOM 0 HA3 GLY A 4 -2.947 -12.155 -0.836 1.00 1.43 H new ATOM 46 N VAL A 5 -3.534 -10.661 1.225 1.00 0.93 N ATOM 47 CA VAL A 5 -3.541 -9.533 2.142 1.00 0.80 C ATOM 48 C VAL A 5 -2.087 -9.124 2.360 1.00 0.79 C ATOM 49 O VAL A 5 -1.240 -9.996 2.555 1.00 1.16 O ATOM 50 CB VAL A 5 -4.229 -9.911 3.470 1.00 0.93 C ATOM 51 CG1 VAL A 5 -5.728 -10.150 3.257 1.00 2.12 C ATOM 52 CG2 VAL A 5 -3.629 -11.147 4.157 1.00 2.25 C ATOM 0 H VAL A 5 -2.871 -11.384 1.505 1.00 0.93 H new ATOM 0 HA VAL A 5 -4.108 -8.699 1.729 1.00 0.80 H new ATOM 0 HB VAL A 5 -4.061 -9.059 4.128 1.00 0.93 H new ATOM 0 HG11 VAL A 5 -6.193 -10.415 4.207 1.00 2.12 H new ATOM 0 HG12 VAL A 5 -6.190 -9.242 2.868 1.00 2.12 H new ATOM 0 HG13 VAL A 5 -5.869 -10.963 2.544 1.00 2.12 H new ATOM 0 HG21 VAL A 5 -4.168 -11.346 5.083 1.00 2.25 H new ATOM 0 HG22 VAL A 5 -3.715 -12.009 3.495 1.00 2.25 H new ATOM 0 HG23 VAL A 5 -2.578 -10.964 4.381 1.00 2.25 H new ATOM 62 N LEU A 6 -1.794 -7.827 2.284 1.00 0.79 N ATOM 63 CA LEU A 6 -0.495 -7.264 2.604 1.00 0.85 C ATOM 64 C LEU A 6 -0.762 -5.969 3.368 1.00 0.75 C ATOM 65 O LEU A 6 -1.173 -4.986 2.751 1.00 0.90 O ATOM 66 CB LEU A 6 0.302 -7.049 1.307 1.00 0.98 C ATOM 67 CG LEU A 6 1.800 -6.757 1.506 1.00 1.18 C ATOM 68 CD1 LEU A 6 2.494 -6.803 0.142 1.00 2.41 C ATOM 69 CD2 LEU A 6 2.071 -5.387 2.134 1.00 2.86 C ATOM 0 H LEU A 6 -2.474 -7.126 1.990 1.00 0.79 H new ATOM 0 HA LEU A 6 0.112 -7.924 3.224 1.00 0.85 H new ATOM 0 HB2 LEU A 6 0.200 -7.937 0.684 1.00 0.98 H new ATOM 0 HB3 LEU A 6 -0.144 -6.221 0.757 1.00 0.98 H new ATOM 0 HG LEU A 6 2.185 -7.514 2.190 1.00 1.18 H new ATOM 0 HD11 LEU A 6 3.557 -6.598 0.268 1.00 2.41 H new ATOM 0 HD12 LEU A 6 2.365 -7.792 -0.299 1.00 2.41 H new ATOM 0 HD13 LEU A 6 2.055 -6.053 -0.515 1.00 2.41 H new ATOM 0 HD21 LEU A 6 3.146 -5.245 2.247 1.00 2.86 H new ATOM 0 HD22 LEU A 6 1.667 -4.605 1.491 1.00 2.86 H new ATOM 0 HD23 LEU A 6 1.594 -5.334 3.112 1.00 2.86 H new ATOM 81 N GLU A 7 -0.594 -5.964 4.694 1.00 0.80 N ATOM 82 CA GLU A 7 -0.772 -4.767 5.506 1.00 0.82 C ATOM 83 C GLU A 7 0.564 -4.307 6.089 1.00 0.93 C ATOM 84 O GLU A 7 1.200 -5.026 6.855 1.00 1.31 O ATOM 85 CB GLU A 7 -1.887 -4.963 6.542 1.00 1.26 C ATOM 86 CG GLU A 7 -2.295 -3.597 7.117 1.00 1.89 C ATOM 87 CD GLU A 7 -3.603 -3.586 7.885 1.00 2.66 C ATOM 88 OE1 GLU A 7 -4.146 -4.678 8.156 1.00 3.09 O ATOM 89 OE2 GLU A 7 -4.085 -2.455 8.114 1.00 3.83 O ATOM 0 H GLU A 7 -0.331 -6.791 5.230 1.00 0.80 H new ATOM 0 HA GLU A 7 -1.113 -3.947 4.874 1.00 0.82 H new ATOM 0 HB2 GLU A 7 -2.747 -5.447 6.080 1.00 1.26 H new ATOM 0 HB3 GLU A 7 -1.544 -5.619 7.342 1.00 1.26 H new ATOM 0 HG2 GLU A 7 -1.501 -3.246 7.777 1.00 1.89 H new ATOM 0 HG3 GLU A 7 -2.367 -2.882 6.297 1.00 1.89 H new ATOM 96 N LEU A 8 0.989 -3.099 5.699 1.00 0.88 N ATOM 97 CA LEU A 8 2.310 -2.556 5.986 1.00 0.90 C ATOM 98 C LEU A 8 2.219 -1.100 6.439 1.00 0.79 C ATOM 99 O LEU A 8 1.204 -0.440 6.205 1.00 0.83 O ATOM 100 CB LEU A 8 3.239 -2.779 4.775 1.00 1.01 C ATOM 101 CG LEU A 8 3.035 -1.964 3.483 1.00 1.03 C ATOM 102 CD1 LEU A 8 1.582 -1.856 3.016 1.00 1.90 C ATOM 103 CD2 LEU A 8 3.645 -0.563 3.584 1.00 2.80 C ATOM 0 H LEU A 8 0.403 -2.460 5.161 1.00 0.88 H new ATOM 0 HA LEU A 8 2.756 -3.090 6.825 1.00 0.90 H new ATOM 0 HB2 LEU A 8 4.260 -2.600 5.113 1.00 1.01 H new ATOM 0 HB3 LEU A 8 3.173 -3.833 4.506 1.00 1.01 H new ATOM 0 HG LEU A 8 3.565 -2.541 2.725 1.00 1.03 H new ATOM 0 HD11 LEU A 8 1.537 -1.265 2.101 1.00 1.90 H new ATOM 0 HD12 LEU A 8 1.186 -2.853 2.824 1.00 1.90 H new ATOM 0 HD13 LEU A 8 0.986 -1.372 3.790 1.00 1.90 H new ATOM 0 HD21 LEU A 8 3.477 -0.025 2.651 1.00 2.80 H new ATOM 0 HD22 LEU A 8 3.176 -0.020 4.405 1.00 2.80 H new ATOM 0 HD23 LEU A 8 4.716 -0.645 3.768 1.00 2.80 H new ATOM 115 N VAL A 9 3.275 -0.601 7.091 1.00 0.82 N ATOM 116 CA VAL A 9 3.410 0.762 7.542 1.00 0.82 C ATOM 117 C VAL A 9 3.897 1.592 6.352 1.00 0.77 C ATOM 118 O VAL A 9 5.032 1.432 5.894 1.00 1.02 O ATOM 119 CB VAL A 9 4.399 0.773 8.724 1.00 0.83 C ATOM 120 CG1 VAL A 9 4.912 2.176 8.999 1.00 1.08 C ATOM 121 CG2 VAL A 9 3.772 0.235 10.013 1.00 0.62 C ATOM 0 H VAL A 9 4.087 -1.173 7.322 1.00 0.82 H new ATOM 0 HA VAL A 9 2.471 1.191 7.892 1.00 0.82 H new ATOM 0 HB VAL A 9 5.222 0.122 8.429 1.00 0.83 H new ATOM 0 HG11 VAL A 9 5.607 2.151 9.838 1.00 1.08 H new ATOM 0 HG12 VAL A 9 5.424 2.556 8.115 1.00 1.08 H new ATOM 0 HG13 VAL A 9 4.074 2.829 9.242 1.00 1.08 H new ATOM 0 HG21 VAL A 9 4.509 0.264 10.816 1.00 0.62 H new ATOM 0 HG22 VAL A 9 2.915 0.851 10.285 1.00 0.62 H new ATOM 0 HG23 VAL A 9 3.445 -0.793 9.857 1.00 0.62 H new ATOM 131 N VAL A 10 3.036 2.480 5.856 1.00 0.76 N ATOM 132 CA VAL A 10 3.359 3.466 4.831 1.00 0.79 C ATOM 133 C VAL A 10 3.923 4.711 5.521 1.00 0.79 C ATOM 134 O VAL A 10 3.268 5.749 5.628 1.00 1.61 O ATOM 135 CB VAL A 10 2.128 3.751 3.951 1.00 0.87 C ATOM 136 CG1 VAL A 10 1.940 2.621 2.936 1.00 2.14 C ATOM 137 CG2 VAL A 10 0.830 3.898 4.753 1.00 2.58 C ATOM 0 H VAL A 10 2.066 2.533 6.167 1.00 0.76 H new ATOM 0 HA VAL A 10 4.122 3.089 4.150 1.00 0.79 H new ATOM 0 HB VAL A 10 2.324 4.702 3.455 1.00 0.87 H new ATOM 0 HG11 VAL A 10 1.067 2.829 2.317 1.00 2.14 H new ATOM 0 HG12 VAL A 10 2.825 2.549 2.303 1.00 2.14 H new ATOM 0 HG13 VAL A 10 1.794 1.679 3.464 1.00 2.14 H new ATOM 0 HG21 VAL A 10 0.002 4.098 4.072 1.00 2.58 H new ATOM 0 HG22 VAL A 10 0.635 2.976 5.301 1.00 2.58 H new ATOM 0 HG23 VAL A 10 0.929 4.725 5.456 1.00 2.58 H new ATOM 147 N ARG A 11 5.163 4.594 5.996 1.00 0.62 N ATOM 148 CA ARG A 11 5.830 5.598 6.817 1.00 0.82 C ATOM 149 C ARG A 11 6.328 6.741 5.931 1.00 0.90 C ATOM 150 O ARG A 11 7.526 6.957 5.792 1.00 2.05 O ATOM 151 CB ARG A 11 6.957 4.963 7.660 1.00 1.11 C ATOM 152 CG ARG A 11 7.805 3.911 6.922 1.00 2.08 C ATOM 153 CD ARG A 11 9.003 3.455 7.770 1.00 2.74 C ATOM 154 NE ARG A 11 10.272 3.974 7.232 1.00 4.05 N ATOM 155 CZ ARG A 11 11.450 3.334 7.129 1.00 5.34 C ATOM 156 NH1 ARG A 11 11.561 2.023 7.368 1.00 5.84 N ATOM 157 NH2 ARG A 11 12.529 4.031 6.774 1.00 6.77 N ATOM 0 H ARG A 11 5.744 3.776 5.814 1.00 0.62 H new ATOM 0 HA ARG A 11 5.118 6.018 7.527 1.00 0.82 H new ATOM 0 HB2 ARG A 11 7.616 5.756 8.015 1.00 1.11 H new ATOM 0 HB3 ARG A 11 6.514 4.498 8.541 1.00 1.11 H new ATOM 0 HG2 ARG A 11 7.184 3.050 6.675 1.00 2.08 H new ATOM 0 HG3 ARG A 11 8.162 4.326 5.980 1.00 2.08 H new ATOM 0 HD2 ARG A 11 8.875 3.797 8.797 1.00 2.74 H new ATOM 0 HD3 ARG A 11 9.037 2.366 7.799 1.00 2.74 H new ATOM 0 HE ARG A 11 10.255 4.937 6.896 1.00 4.05 H new ATOM 0 HH11 ARG A 11 10.739 1.482 7.636 1.00 5.84 H new ATOM 0 HH12 ARG A 11 12.468 1.564 7.282 1.00 5.84 H new ATOM 0 HH21 ARG A 11 12.451 5.031 6.586 1.00 6.77 H new ATOM 0 HH22 ARG A 11 13.432 3.565 6.690 1.00 6.77 H new ATOM 171 N GLY A 12 5.398 7.485 5.333 1.00 1.33 N ATOM 172 CA GLY A 12 5.720 8.539 4.390 1.00 1.46 C ATOM 173 C GLY A 12 4.531 9.467 4.188 1.00 1.19 C ATOM 174 O GLY A 12 4.697 10.684 4.173 1.00 1.27 O ATOM 0 H GLY A 12 4.398 7.368 5.494 1.00 1.33 H new ATOM 0 HA2 GLY A 12 6.574 9.110 4.754 1.00 1.46 H new ATOM 0 HA3 GLY A 12 6.012 8.102 3.435 1.00 1.46 H new ATOM 178 N MET A 13 3.327 8.905 4.028 1.00 1.29 N ATOM 179 CA MET A 13 2.140 9.729 3.879 1.00 1.14 C ATOM 180 C MET A 13 1.954 10.577 5.141 1.00 1.01 C ATOM 181 O MET A 13 1.858 10.040 6.243 1.00 1.55 O ATOM 182 CB MET A 13 0.911 8.882 3.522 1.00 1.61 C ATOM 183 CG MET A 13 0.396 8.031 4.684 1.00 1.01 C ATOM 184 SD MET A 13 -0.946 6.904 4.268 1.00 1.70 S ATOM 185 CE MET A 13 -1.408 6.402 5.934 1.00 1.63 C ATOM 0 H MET A 13 3.158 7.899 4.000 1.00 1.29 H new ATOM 0 HA MET A 13 2.267 10.413 3.040 1.00 1.14 H new ATOM 0 HB2 MET A 13 0.112 9.541 3.183 1.00 1.61 H new ATOM 0 HB3 MET A 13 1.161 8.228 2.686 1.00 1.61 H new ATOM 0 HG2 MET A 13 1.227 7.450 5.085 1.00 1.01 H new ATOM 0 HG3 MET A 13 0.059 8.696 5.479 1.00 1.01 H new ATOM 0 HE1 MET A 13 -2.008 5.493 5.887 1.00 1.63 H new ATOM 0 HE2 MET A 13 -0.508 6.213 6.520 1.00 1.63 H new ATOM 0 HE3 MET A 13 -1.988 7.195 6.405 1.00 1.63 H new ATOM 195 N THR A 14 1.963 11.898 4.977 1.00 0.85 N ATOM 196 CA THR A 14 1.949 12.836 6.092 1.00 0.85 C ATOM 197 C THR A 14 0.536 13.371 6.368 1.00 0.79 C ATOM 198 O THR A 14 0.115 13.395 7.524 1.00 1.27 O ATOM 199 CB THR A 14 3.036 13.909 5.895 1.00 0.94 C ATOM 200 OG1 THR A 14 2.901 14.942 6.847 1.00 1.42 O ATOM 201 CG2 THR A 14 3.075 14.517 4.491 1.00 1.18 C ATOM 0 H THR A 14 1.980 12.348 4.062 1.00 0.85 H new ATOM 0 HA THR A 14 2.213 12.318 7.014 1.00 0.85 H new ATOM 0 HB THR A 14 3.980 13.383 6.035 1.00 0.94 H new ATOM 0 HG1 THR A 14 3.602 15.612 6.705 1.00 1.42 H new ATOM 0 HG21 THR A 14 3.868 15.263 4.439 1.00 1.18 H new ATOM 0 HG22 THR A 14 3.267 13.732 3.760 1.00 1.18 H new ATOM 0 HG23 THR A 14 2.118 14.990 4.273 1.00 1.18 H new ATOM 209 N CYS A 15 -0.214 13.776 5.333 1.00 0.69 N ATOM 210 CA CYS A 15 -1.528 14.396 5.491 1.00 0.68 C ATOM 211 C CYS A 15 -2.558 13.727 4.583 1.00 0.68 C ATOM 212 O CYS A 15 -2.206 12.903 3.738 1.00 0.69 O ATOM 213 CB CYS A 15 -1.415 15.900 5.212 1.00 0.72 C ATOM 214 SG CYS A 15 -1.229 16.356 3.468 1.00 0.76 S ATOM 0 H CYS A 15 0.079 13.680 4.361 1.00 0.69 H new ATOM 0 HA CYS A 15 -1.874 14.259 6.516 1.00 0.68 H new ATOM 0 HB2 CYS A 15 -2.304 16.393 5.606 1.00 0.72 H new ATOM 0 HB3 CYS A 15 -0.561 16.292 5.765 1.00 0.72 H new ATOM 219 N ALA A 16 -3.831 14.106 4.746 1.00 0.70 N ATOM 220 CA ALA A 16 -4.960 13.597 3.972 1.00 0.73 C ATOM 221 C ALA A 16 -4.642 13.527 2.475 1.00 0.66 C ATOM 222 O ALA A 16 -4.922 12.527 1.813 1.00 0.64 O ATOM 223 CB ALA A 16 -6.185 14.482 4.221 1.00 0.86 C ATOM 0 H ALA A 16 -4.108 14.797 5.443 1.00 0.70 H new ATOM 0 HA ALA A 16 -5.169 12.579 4.301 1.00 0.73 H new ATOM 0 HB1 ALA A 16 -7.030 14.105 3.645 1.00 0.86 H new ATOM 0 HB2 ALA A 16 -6.434 14.468 5.282 1.00 0.86 H new ATOM 0 HB3 ALA A 16 -5.964 15.504 3.914 1.00 0.86 H new ATOM 229 N SER A 17 -4.041 14.597 1.951 1.00 0.67 N ATOM 230 CA SER A 17 -3.621 14.700 0.568 1.00 0.67 C ATOM 231 C SER A 17 -2.714 13.535 0.167 1.00 0.64 C ATOM 232 O SER A 17 -2.849 13.015 -0.936 1.00 0.73 O ATOM 233 CB SER A 17 -2.901 16.039 0.380 1.00 0.74 C ATOM 234 OG SER A 17 -3.568 17.044 1.125 1.00 1.50 O ATOM 0 H SER A 17 -3.831 15.432 2.497 1.00 0.67 H new ATOM 0 HA SER A 17 -4.498 14.653 -0.078 1.00 0.67 H new ATOM 0 HB2 SER A 17 -1.865 15.956 0.708 1.00 0.74 H new ATOM 0 HB3 SER A 17 -2.881 16.308 -0.676 1.00 0.74 H new ATOM 0 HG SER A 17 -3.117 17.166 1.986 1.00 1.50 H new ATOM 240 N CYS A 18 -1.777 13.148 1.038 1.00 0.66 N ATOM 241 CA CYS A 18 -0.928 11.987 0.825 1.00 0.65 C ATOM 242 C CYS A 18 -1.731 10.697 0.980 1.00 0.56 C ATOM 243 O CYS A 18 -1.681 9.826 0.113 1.00 0.53 O ATOM 244 CB CYS A 18 0.247 12.001 1.802 1.00 0.80 C ATOM 245 SG CYS A 18 1.326 13.448 1.707 1.00 0.96 S ATOM 0 H CYS A 18 -1.591 13.638 1.913 1.00 0.66 H new ATOM 0 HA CYS A 18 -0.538 12.029 -0.192 1.00 0.65 H new ATOM 0 HB2 CYS A 18 -0.146 11.930 2.816 1.00 0.80 H new ATOM 0 HB3 CYS A 18 0.850 11.109 1.630 1.00 0.80 H new ATOM 250 N VAL A 19 -2.453 10.580 2.100 1.00 0.65 N ATOM 251 CA VAL A 19 -3.267 9.416 2.436 1.00 0.71 C ATOM 252 C VAL A 19 -4.069 8.974 1.221 1.00 0.61 C ATOM 253 O VAL A 19 -3.912 7.841 0.758 1.00 0.63 O ATOM 254 CB VAL A 19 -4.174 9.735 3.638 1.00 0.87 C ATOM 255 CG1 VAL A 19 -5.180 8.623 3.949 1.00 0.99 C ATOM 256 CG2 VAL A 19 -3.343 9.933 4.903 1.00 1.00 C ATOM 0 H VAL A 19 -2.486 11.311 2.811 1.00 0.65 H new ATOM 0 HA VAL A 19 -2.619 8.588 2.723 1.00 0.71 H new ATOM 0 HB VAL A 19 -4.711 10.640 3.355 1.00 0.87 H new ATOM 0 HG11 VAL A 19 -5.788 8.912 4.807 1.00 0.99 H new ATOM 0 HG12 VAL A 19 -5.825 8.463 3.085 1.00 0.99 H new ATOM 0 HG13 VAL A 19 -4.645 7.701 4.177 1.00 0.99 H new ATOM 0 HG21 VAL A 19 -4.003 10.158 5.741 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -2.783 9.023 5.116 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -2.649 10.760 4.756 1.00 1.00 H new ATOM 266 N HIS A 20 -4.909 9.866 0.685 1.00 0.59 N ATOM 267 CA HIS A 20 -5.773 9.459 -0.411 1.00 0.57 C ATOM 268 C HIS A 20 -4.977 9.188 -1.706 1.00 0.52 C ATOM 269 O HIS A 20 -5.491 8.606 -2.655 1.00 0.50 O ATOM 270 CB HIS A 20 -7.038 10.329 -0.545 1.00 0.61 C ATOM 271 CG HIS A 20 -6.982 11.582 -1.382 1.00 0.55 C ATOM 272 ND1 HIS A 20 -5.893 12.101 -2.018 1.00 0.75 N flip ATOM 273 CD2 HIS A 20 -8.078 12.299 -1.804 1.00 1.13 C flip ATOM 274 CE1 HIS A 20 -6.317 13.155 -2.831 1.00 0.78 C flip ATOM 275 NE2 HIS A 20 -7.646 13.235 -2.668 1.00 1.25 N flip ATOM 0 H HIS A 20 -5.004 10.837 0.983 1.00 0.59 H new ATOM 0 HA HIS A 20 -6.194 8.485 -0.161 1.00 0.57 H new ATOM 0 HB2 HIS A 20 -7.829 9.698 -0.951 1.00 0.61 H new ATOM 0 HB3 HIS A 20 -7.345 10.619 0.460 1.00 0.61 H new ATOM 0 HD2 HIS A 20 -9.101 12.139 -1.497 1.00 1.13 H new ATOM 0 HE1 HIS A 20 -5.701 13.778 -3.462 1.00 0.78 H new ATOM 0 HE2 HIS A 20 -8.247 13.913 -3.136 1.00 1.25 H new ATOM 283 N LYS A 21 -3.715 9.631 -1.776 1.00 0.66 N ATOM 284 CA LYS A 21 -2.898 9.516 -2.970 1.00 0.66 C ATOM 285 C LYS A 21 -2.529 8.056 -3.155 1.00 0.59 C ATOM 286 O LYS A 21 -2.635 7.527 -4.260 1.00 0.60 O ATOM 287 CB LYS A 21 -1.648 10.399 -2.850 1.00 0.86 C ATOM 288 CG LYS A 21 -1.162 10.923 -4.204 1.00 0.58 C ATOM 289 CD LYS A 21 0.043 11.846 -3.977 1.00 1.03 C ATOM 290 CE LYS A 21 0.421 12.591 -5.264 1.00 1.99 C ATOM 291 NZ LYS A 21 1.620 13.435 -5.078 1.00 2.98 N ATOM 0 H LYS A 21 -3.238 10.081 -0.995 1.00 0.66 H new ATOM 0 HA LYS A 21 -3.452 9.861 -3.843 1.00 0.66 H new ATOM 0 HB2 LYS A 21 -1.866 11.243 -2.196 1.00 0.86 H new ATOM 0 HB3 LYS A 21 -0.849 9.828 -2.378 1.00 0.86 H new ATOM 0 HG2 LYS A 21 -0.883 10.092 -4.852 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -1.962 11.465 -4.708 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -0.189 12.566 -3.192 1.00 1.03 H new ATOM 0 HD3 LYS A 21 0.894 11.259 -3.630 1.00 1.03 H new ATOM 0 HE2 LYS A 21 0.604 11.870 -6.061 1.00 1.99 H new ATOM 0 HE3 LYS A 21 -0.415 13.213 -5.583 1.00 1.99 H new ATOM 0 HZ1 LYS A 21 1.843 13.922 -5.969 1.00 2.98 H new ATOM 0 HZ2 LYS A 21 1.437 14.139 -4.335 1.00 2.98 H new ATOM 0 HZ3 LYS A 21 2.425 12.838 -4.798 1.00 2.98 H new ATOM 305 N ILE A 22 -2.091 7.418 -2.064 1.00 0.58 N ATOM 306 CA ILE A 22 -1.752 6.005 -2.067 1.00 0.60 C ATOM 307 C ILE A 22 -2.938 5.231 -2.635 1.00 0.52 C ATOM 308 O ILE A 22 -2.832 4.691 -3.730 1.00 0.49 O ATOM 309 CB ILE A 22 -1.332 5.525 -0.664 1.00 0.66 C ATOM 310 CG1 ILE A 22 -0.076 6.290 -0.216 1.00 0.72 C ATOM 311 CG2 ILE A 22 -1.054 4.014 -0.668 1.00 0.74 C ATOM 312 CD1 ILE A 22 0.562 5.738 1.058 1.00 1.10 C ATOM 0 H ILE A 22 -1.964 7.872 -1.160 1.00 0.58 H new ATOM 0 HA ILE A 22 -0.885 5.824 -2.702 1.00 0.60 H new ATOM 0 HB ILE A 22 -2.146 5.721 0.034 1.00 0.66 H new ATOM 0 HG12 ILE A 22 0.660 6.264 -1.020 1.00 0.72 H new ATOM 0 HG13 ILE A 22 -0.337 7.336 -0.056 1.00 0.72 H new ATOM 0 HG21 ILE A 22 -0.759 3.696 0.332 1.00 0.74 H new ATOM 0 HG22 ILE A 22 -1.955 3.479 -0.968 1.00 0.74 H new ATOM 0 HG23 ILE A 22 -0.250 3.794 -1.371 1.00 0.74 H new ATOM 0 HD11 ILE A 22 1.442 6.330 1.310 1.00 1.10 H new ATOM 0 HD12 ILE A 22 -0.156 5.789 1.876 1.00 1.10 H new ATOM 0 HD13 ILE A 22 0.856 4.701 0.898 1.00 1.10 H new ATOM 324 N GLU A 23 -4.060 5.199 -1.915 1.00 0.56 N ATOM 325 CA GLU A 23 -5.278 4.526 -2.350 1.00 0.51 C ATOM 326 C GLU A 23 -5.671 4.863 -3.792 1.00 0.43 C ATOM 327 O GLU A 23 -5.636 3.975 -4.650 1.00 0.53 O ATOM 328 CB GLU A 23 -6.419 4.746 -1.344 1.00 0.61 C ATOM 329 CG GLU A 23 -6.549 6.147 -0.758 1.00 2.11 C ATOM 330 CD GLU A 23 -7.844 6.821 -1.187 1.00 3.23 C ATOM 331 OE1 GLU A 23 -7.954 7.074 -2.403 1.00 4.25 O ATOM 332 OE2 GLU A 23 -8.682 7.073 -0.297 1.00 3.88 O ATOM 0 H GLU A 23 -4.146 5.646 -1.002 1.00 0.56 H new ATOM 0 HA GLU A 23 -5.066 3.457 -2.365 1.00 0.51 H new ATOM 0 HB2 GLU A 23 -7.359 4.493 -1.834 1.00 0.61 H new ATOM 0 HB3 GLU A 23 -6.289 4.043 -0.521 1.00 0.61 H new ATOM 0 HG2 GLU A 23 -6.512 6.091 0.330 1.00 2.11 H new ATOM 0 HG3 GLU A 23 -5.701 6.754 -1.075 1.00 2.11 H new ATOM 339 N SER A 24 -6.038 6.116 -4.075 1.00 0.41 N ATOM 340 CA SER A 24 -6.471 6.530 -5.403 1.00 0.48 C ATOM 341 C SER A 24 -5.486 6.102 -6.492 1.00 0.53 C ATOM 342 O SER A 24 -5.912 5.696 -7.570 1.00 0.73 O ATOM 343 CB SER A 24 -6.698 8.046 -5.447 1.00 0.53 C ATOM 344 OG SER A 24 -7.823 8.412 -4.673 1.00 2.41 O ATOM 0 H SER A 24 -6.042 6.869 -3.386 1.00 0.41 H new ATOM 0 HA SER A 24 -7.415 6.025 -5.606 1.00 0.48 H new ATOM 0 HB2 SER A 24 -5.813 8.561 -5.074 1.00 0.53 H new ATOM 0 HB3 SER A 24 -6.842 8.366 -6.479 1.00 0.53 H new ATOM 0 HG SER A 24 -7.742 8.027 -3.775 1.00 2.41 H new ATOM 350 N SER A 25 -4.174 6.182 -6.238 1.00 0.46 N ATOM 351 CA SER A 25 -3.194 5.773 -7.230 1.00 0.53 C ATOM 352 C SER A 25 -3.244 4.253 -7.360 1.00 0.64 C ATOM 353 O SER A 25 -3.544 3.722 -8.427 1.00 0.98 O ATOM 354 CB SER A 25 -1.796 6.285 -6.855 1.00 0.55 C ATOM 355 OG SER A 25 -0.894 6.091 -7.930 1.00 1.24 O ATOM 0 H SER A 25 -3.778 6.523 -5.362 1.00 0.46 H new ATOM 0 HA SER A 25 -3.428 6.212 -8.200 1.00 0.53 H new ATOM 0 HB2 SER A 25 -1.846 7.344 -6.600 1.00 0.55 H new ATOM 0 HB3 SER A 25 -1.435 5.761 -5.970 1.00 0.55 H new ATOM 0 HG SER A 25 -0.007 6.424 -7.677 1.00 1.24 H new ATOM 361 N LEU A 26 -2.964 3.551 -6.261 1.00 0.49 N ATOM 362 CA LEU A 26 -2.852 2.103 -6.217 1.00 0.58 C ATOM 363 C LEU A 26 -4.076 1.409 -6.810 1.00 0.54 C ATOM 364 O LEU A 26 -3.935 0.365 -7.437 1.00 0.64 O ATOM 365 CB LEU A 26 -2.612 1.626 -4.783 1.00 0.70 C ATOM 366 CG LEU A 26 -1.126 1.359 -4.509 1.00 0.90 C ATOM 367 CD1 LEU A 26 -0.312 2.655 -4.439 1.00 2.56 C ATOM 368 CD2 LEU A 26 -0.996 0.588 -3.197 1.00 1.58 C ATOM 0 H LEU A 26 -2.806 3.992 -5.355 1.00 0.49 H new ATOM 0 HA LEU A 26 -1.995 1.830 -6.833 1.00 0.58 H new ATOM 0 HB2 LEU A 26 -2.981 2.377 -4.084 1.00 0.70 H new ATOM 0 HB3 LEU A 26 -3.184 0.715 -4.603 1.00 0.70 H new ATOM 0 HG LEU A 26 -0.725 0.773 -5.336 1.00 0.90 H new ATOM 0 HD11 LEU A 26 0.734 2.418 -4.243 1.00 2.56 H new ATOM 0 HD12 LEU A 26 -0.392 3.187 -5.387 1.00 2.56 H new ATOM 0 HD13 LEU A 26 -0.698 3.284 -3.637 1.00 2.56 H new ATOM 0 HD21 LEU A 26 0.057 0.393 -2.992 1.00 1.58 H new ATOM 0 HD22 LEU A 26 -1.420 1.178 -2.385 1.00 1.58 H new ATOM 0 HD23 LEU A 26 -1.532 -0.358 -3.276 1.00 1.58 H new ATOM 380 N THR A 27 -5.269 1.977 -6.636 1.00 0.55 N ATOM 381 CA THR A 27 -6.497 1.401 -7.171 1.00 0.59 C ATOM 382 C THR A 27 -6.434 1.158 -8.692 1.00 0.66 C ATOM 383 O THR A 27 -7.147 0.289 -9.189 1.00 1.14 O ATOM 384 CB THR A 27 -7.697 2.242 -6.702 1.00 0.79 C ATOM 385 OG1 THR A 27 -7.710 2.263 -5.289 1.00 1.70 O ATOM 386 CG2 THR A 27 -9.040 1.672 -7.166 1.00 1.91 C ATOM 0 H THR A 27 -5.409 2.847 -6.122 1.00 0.55 H new ATOM 0 HA THR A 27 -6.629 0.397 -6.768 1.00 0.59 H new ATOM 0 HB THR A 27 -7.580 3.236 -7.133 1.00 0.79 H new ATOM 0 HG1 THR A 27 -7.007 2.864 -4.964 1.00 1.70 H new ATOM 0 HG21 THR A 27 -9.849 2.307 -6.805 1.00 1.91 H new ATOM 0 HG22 THR A 27 -9.064 1.638 -8.255 1.00 1.91 H new ATOM 0 HG23 THR A 27 -9.165 0.665 -6.768 1.00 1.91 H new ATOM 394 N LYS A 28 -5.567 1.851 -9.450 1.00 0.72 N ATOM 395 CA LYS A 28 -5.408 1.538 -10.873 1.00 0.90 C ATOM 396 C LYS A 28 -4.803 0.143 -11.105 1.00 0.95 C ATOM 397 O LYS A 28 -4.969 -0.430 -12.180 1.00 1.20 O ATOM 398 CB LYS A 28 -4.630 2.643 -11.610 1.00 1.18 C ATOM 399 CG LYS A 28 -3.117 2.622 -11.347 1.00 1.88 C ATOM 400 CD LYS A 28 -2.443 3.929 -11.792 1.00 2.45 C ATOM 401 CE LYS A 28 -1.174 4.262 -10.987 1.00 3.83 C ATOM 402 NZ LYS A 28 -0.117 3.232 -11.074 1.00 5.17 N ATOM 0 H LYS A 28 -4.981 2.613 -9.109 1.00 0.72 H new ATOM 0 HA LYS A 28 -6.408 1.507 -11.305 1.00 0.90 H new ATOM 0 HB2 LYS A 28 -4.804 2.543 -12.681 1.00 1.18 H new ATOM 0 HB3 LYS A 28 -5.027 3.613 -11.312 1.00 1.18 H new ATOM 0 HG2 LYS A 28 -2.935 2.463 -10.284 1.00 1.88 H new ATOM 0 HG3 LYS A 28 -2.667 1.782 -11.877 1.00 1.88 H new ATOM 0 HD2 LYS A 28 -2.186 3.856 -12.849 1.00 2.45 H new ATOM 0 HD3 LYS A 28 -3.154 4.749 -11.692 1.00 2.45 H new ATOM 0 HE2 LYS A 28 -0.771 5.211 -11.340 1.00 3.83 H new ATOM 0 HE3 LYS A 28 -1.446 4.401 -9.941 1.00 3.83 H new ATOM 0 HZ1 LYS A 28 0.815 3.680 -10.960 1.00 5.17 H new ATOM 0 HZ2 LYS A 28 -0.256 2.527 -10.322 1.00 5.17 H new ATOM 0 HZ3 LYS A 28 -0.165 2.763 -12.001 1.00 5.17 H new ATOM 416 N HIS A 29 -4.068 -0.403 -10.129 1.00 0.85 N ATOM 417 CA HIS A 29 -3.459 -1.715 -10.241 1.00 1.07 C ATOM 418 C HIS A 29 -4.538 -2.739 -9.912 1.00 1.34 C ATOM 419 O HIS A 29 -4.820 -2.959 -8.742 1.00 2.10 O ATOM 420 CB HIS A 29 -2.281 -1.862 -9.256 1.00 1.03 C ATOM 421 CG HIS A 29 -1.156 -0.876 -9.445 1.00 0.93 C ATOM 422 ND1 HIS A 29 0.173 -1.178 -9.650 1.00 1.80 N ATOM 423 CD2 HIS A 29 -1.243 0.479 -9.298 1.00 1.01 C ATOM 424 CE1 HIS A 29 0.852 -0.017 -9.664 1.00 1.64 C ATOM 425 NE2 HIS A 29 0.025 1.031 -9.493 1.00 1.21 N ATOM 0 H HIS A 29 -3.884 0.062 -9.240 1.00 0.85 H new ATOM 0 HA HIS A 29 -3.066 -1.863 -11.247 1.00 1.07 H new ATOM 0 HB2 HIS A 29 -2.664 -1.761 -8.240 1.00 1.03 H new ATOM 0 HB3 HIS A 29 -1.877 -2.870 -9.346 1.00 1.03 H new ATOM 0 HD1 HIS A 29 0.569 -2.110 -9.769 1.00 1.80 H new ATOM 0 HD2 HIS A 29 -2.142 1.031 -9.069 1.00 1.01 H new ATOM 0 HE1 HIS A 29 1.921 0.064 -9.795 1.00 1.64 H new ATOM 433 N ARG A 30 -5.114 -3.426 -10.899 1.00 1.25 N ATOM 434 CA ARG A 30 -6.042 -4.513 -10.586 1.00 1.51 C ATOM 435 C ARG A 30 -5.396 -5.588 -9.702 1.00 1.51 C ATOM 436 O ARG A 30 -6.099 -6.329 -9.022 1.00 2.32 O ATOM 437 CB ARG A 30 -6.590 -5.157 -11.865 1.00 1.95 C ATOM 438 CG ARG A 30 -7.473 -4.200 -12.674 1.00 2.14 C ATOM 439 CD ARG A 30 -8.081 -4.889 -13.906 1.00 2.88 C ATOM 440 NE ARG A 30 -8.987 -5.996 -13.537 1.00 4.29 N ATOM 441 CZ ARG A 30 -8.678 -7.305 -13.474 1.00 5.56 C ATOM 442 NH1 ARG A 30 -7.438 -7.724 -13.746 1.00 5.89 N ATOM 443 NH2 ARG A 30 -9.616 -8.194 -13.127 1.00 7.09 N ATOM 0 H ARG A 30 -4.961 -3.257 -11.893 1.00 1.25 H new ATOM 0 HA ARG A 30 -6.866 -4.067 -10.029 1.00 1.51 H new ATOM 0 HB2 ARG A 30 -5.758 -5.490 -12.485 1.00 1.95 H new ATOM 0 HB3 ARG A 30 -7.167 -6.044 -11.603 1.00 1.95 H new ATOM 0 HG2 ARG A 30 -8.273 -3.819 -12.039 1.00 2.14 H new ATOM 0 HG3 ARG A 30 -6.882 -3.341 -12.992 1.00 2.14 H new ATOM 0 HD2 ARG A 30 -8.629 -4.155 -14.497 1.00 2.88 H new ATOM 0 HD3 ARG A 30 -7.280 -5.273 -14.538 1.00 2.88 H new ATOM 0 HE ARG A 30 -9.947 -5.742 -13.306 1.00 4.29 H new ATOM 0 HH11 ARG A 30 -6.717 -7.050 -14.004 1.00 5.89 H new ATOM 0 HH12 ARG A 30 -7.213 -8.718 -13.696 1.00 5.89 H new ATOM 0 HH21 ARG A 30 -10.562 -7.879 -12.911 1.00 7.09 H new ATOM 0 HH22 ARG A 30 -9.385 -9.186 -13.078 1.00 7.09 H new ATOM 457 N GLY A 31 -4.062 -5.669 -9.703 1.00 1.07 N ATOM 458 CA GLY A 31 -3.324 -6.541 -8.807 1.00 1.16 C ATOM 459 C GLY A 31 -3.364 -6.103 -7.341 1.00 1.21 C ATOM 460 O GLY A 31 -2.770 -6.781 -6.505 1.00 1.67 O ATOM 0 H GLY A 31 -3.469 -5.126 -10.331 1.00 1.07 H new ATOM 0 HA2 GLY A 31 -3.727 -7.551 -8.885 1.00 1.16 H new ATOM 0 HA3 GLY A 31 -2.285 -6.586 -9.134 1.00 1.16 H new ATOM 464 N ILE A 32 -4.060 -5.011 -7.002 1.00 1.04 N ATOM 465 CA ILE A 32 -4.519 -4.767 -5.653 1.00 1.03 C ATOM 466 C ILE A 32 -6.040 -4.670 -5.712 1.00 1.01 C ATOM 467 O ILE A 32 -6.587 -3.956 -6.549 1.00 1.37 O ATOM 468 CB ILE A 32 -3.812 -3.555 -5.023 1.00 1.34 C ATOM 469 CG1 ILE A 32 -4.222 -2.155 -5.502 1.00 1.71 C ATOM 470 CG2 ILE A 32 -2.291 -3.708 -5.157 1.00 1.93 C ATOM 471 CD1 ILE A 32 -5.392 -1.588 -4.696 1.00 2.57 C ATOM 0 H ILE A 32 -4.315 -4.279 -7.665 1.00 1.04 H new ATOM 0 HA ILE A 32 -4.256 -5.584 -4.981 1.00 1.03 H new ATOM 0 HB ILE A 32 -4.151 -3.586 -3.987 1.00 1.34 H new ATOM 0 HG12 ILE A 32 -3.369 -1.482 -5.423 1.00 1.71 H new ATOM 0 HG13 ILE A 32 -4.497 -2.199 -6.556 1.00 1.71 H new ATOM 0 HG21 ILE A 32 -1.798 -2.846 -4.708 1.00 1.93 H new ATOM 0 HG22 ILE A 32 -1.970 -4.616 -4.646 1.00 1.93 H new ATOM 0 HG23 ILE A 32 -2.023 -3.771 -6.212 1.00 1.93 H new ATOM 0 HD11 ILE A 32 -5.646 -0.597 -5.071 1.00 2.57 H new ATOM 0 HD12 ILE A 32 -6.255 -2.246 -4.796 1.00 2.57 H new ATOM 0 HD13 ILE A 32 -5.110 -1.517 -3.646 1.00 2.57 H new ATOM 483 N LEU A 33 -6.728 -5.429 -4.862 1.00 0.75 N ATOM 484 CA LEU A 33 -8.181 -5.451 -4.840 1.00 0.76 C ATOM 485 C LEU A 33 -8.715 -4.291 -4.001 1.00 0.77 C ATOM 486 O LEU A 33 -9.810 -3.802 -4.264 1.00 0.85 O ATOM 487 CB LEU A 33 -8.684 -6.803 -4.313 1.00 0.85 C ATOM 488 CG LEU A 33 -8.126 -8.014 -5.085 1.00 0.99 C ATOM 489 CD1 LEU A 33 -8.726 -9.301 -4.510 1.00 1.78 C ATOM 490 CD2 LEU A 33 -8.437 -7.943 -6.585 1.00 1.52 C ATOM 0 H LEU A 33 -6.292 -6.042 -4.173 1.00 0.75 H new ATOM 0 HA LEU A 33 -8.555 -5.328 -5.856 1.00 0.76 H new ATOM 0 HB2 LEU A 33 -8.413 -6.897 -3.262 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -9.773 -6.821 -4.364 1.00 0.85 H new ATOM 0 HG LEU A 33 -7.042 -8.005 -4.970 1.00 0.99 H new ATOM 0 HD11 LEU A 33 -8.333 -10.160 -5.054 1.00 1.78 H new ATOM 0 HD12 LEU A 33 -8.461 -9.387 -3.456 1.00 1.78 H new ATOM 0 HD13 LEU A 33 -9.811 -9.273 -4.610 1.00 1.78 H new ATOM 0 HD21 LEU A 33 -8.023 -8.819 -7.084 1.00 1.52 H new ATOM 0 HD22 LEU A 33 -9.517 -7.918 -6.732 1.00 1.52 H new ATOM 0 HD23 LEU A 33 -7.993 -7.041 -7.006 1.00 1.52 H new ATOM 502 N TYR A 34 -7.969 -3.862 -2.975 1.00 0.74 N ATOM 503 CA TYR A 34 -8.355 -2.743 -2.135 1.00 0.79 C ATOM 504 C TYR A 34 -7.090 -2.190 -1.496 1.00 0.70 C ATOM 505 O TYR A 34 -6.155 -2.963 -1.285 1.00 0.63 O ATOM 506 CB TYR A 34 -9.333 -3.226 -1.052 1.00 0.91 C ATOM 507 CG TYR A 34 -9.896 -2.153 -0.135 1.00 1.00 C ATOM 508 CD1 TYR A 34 -10.222 -0.871 -0.622 1.00 2.13 C ATOM 509 CD2 TYR A 34 -10.103 -2.447 1.225 1.00 1.58 C ATOM 510 CE1 TYR A 34 -10.551 0.159 0.275 1.00 2.26 C ATOM 511 CE2 TYR A 34 -10.529 -1.438 2.106 1.00 1.63 C ATOM 512 CZ TYR A 34 -10.663 -0.118 1.647 1.00 1.32 C ATOM 513 OH TYR A 34 -10.813 0.893 2.548 1.00 1.62 O ATOM 0 H TYR A 34 -7.081 -4.288 -2.711 1.00 0.74 H new ATOM 0 HA TYR A 34 -8.850 -1.968 -2.721 1.00 0.79 H new ATOM 0 HB2 TYR A 34 -10.166 -3.731 -1.542 1.00 0.91 H new ATOM 0 HB3 TYR A 34 -8.826 -3.970 -0.438 1.00 0.91 H new ATOM 0 HD1 TYR A 34 -10.219 -0.680 -1.685 1.00 2.13 H new ATOM 0 HD2 TYR A 34 -9.935 -3.449 1.592 1.00 1.58 H new ATOM 0 HE1 TYR A 34 -10.717 1.162 -0.090 1.00 2.26 H new ATOM 0 HE2 TYR A 34 -10.753 -1.678 3.135 1.00 1.63 H new ATOM 0 HH TYR A 34 -11.569 0.695 3.139 1.00 1.62 H new ATOM 523 N CYS A 35 -7.076 -0.891 -1.179 1.00 0.78 N ATOM 524 CA CYS A 35 -6.053 -0.242 -0.372 1.00 0.74 C ATOM 525 C CYS A 35 -6.739 0.548 0.751 1.00 0.83 C ATOM 526 O CYS A 35 -7.554 1.420 0.458 1.00 1.33 O ATOM 527 CB CYS A 35 -5.232 0.681 -1.266 1.00 0.81 C ATOM 528 SG CYS A 35 -3.993 1.490 -0.238 1.00 2.63 S ATOM 0 H CYS A 35 -7.803 -0.247 -1.490 1.00 0.78 H new ATOM 0 HA CYS A 35 -5.385 -0.979 0.075 1.00 0.74 H new ATOM 0 HB2 CYS A 35 -4.754 0.113 -2.064 1.00 0.81 H new ATOM 0 HB3 CYS A 35 -5.875 1.421 -1.743 1.00 0.81 H new ATOM 0 HG CYS A 35 -4.023 2.772 -0.450 1.00 2.63 H new ATOM 534 N SER A 36 -6.465 0.216 2.021 1.00 0.53 N ATOM 535 CA SER A 36 -7.133 0.773 3.197 1.00 0.58 C ATOM 536 C SER A 36 -6.106 1.452 4.110 1.00 0.71 C ATOM 537 O SER A 36 -5.467 0.784 4.934 1.00 0.90 O ATOM 538 CB SER A 36 -7.906 -0.328 3.936 1.00 0.75 C ATOM 539 OG SER A 36 -9.027 0.212 4.607 1.00 1.51 O ATOM 0 H SER A 36 -5.749 -0.470 2.261 1.00 0.53 H new ATOM 0 HA SER A 36 -7.852 1.529 2.882 1.00 0.58 H new ATOM 0 HB2 SER A 36 -8.232 -1.089 3.227 1.00 0.75 H new ATOM 0 HB3 SER A 36 -7.250 -0.821 4.653 1.00 0.75 H new ATOM 0 HG SER A 36 -9.710 0.464 3.951 1.00 1.51 H new ATOM 545 N VAL A 37 -5.927 2.763 3.940 1.00 0.80 N ATOM 546 CA VAL A 37 -4.870 3.565 4.535 1.00 0.87 C ATOM 547 C VAL A 37 -5.315 4.198 5.860 1.00 0.87 C ATOM 548 O VAL A 37 -6.495 4.496 6.032 1.00 1.04 O ATOM 549 CB VAL A 37 -4.423 4.619 3.503 1.00 1.23 C ATOM 550 CG1 VAL A 37 -3.800 3.944 2.280 1.00 1.22 C ATOM 551 CG2 VAL A 37 -5.584 5.495 3.011 1.00 2.49 C ATOM 0 H VAL A 37 -6.550 3.317 3.353 1.00 0.80 H new ATOM 0 HA VAL A 37 -4.021 2.929 4.786 1.00 0.87 H new ATOM 0 HB VAL A 37 -3.696 5.250 4.015 1.00 1.23 H new ATOM 0 HG11 VAL A 37 -3.491 4.704 1.563 1.00 1.22 H new ATOM 0 HG12 VAL A 37 -2.932 3.362 2.589 1.00 1.22 H new ATOM 0 HG13 VAL A 37 -4.533 3.284 1.816 1.00 1.22 H new ATOM 0 HG21 VAL A 37 -5.212 6.219 2.286 1.00 2.49 H new ATOM 0 HG22 VAL A 37 -6.340 4.866 2.540 1.00 2.49 H new ATOM 0 HG23 VAL A 37 -6.026 6.022 3.857 1.00 2.49 H new ATOM 561 N ALA A 38 -4.384 4.418 6.798 1.00 0.78 N ATOM 562 CA ALA A 38 -4.625 5.224 7.991 1.00 0.83 C ATOM 563 C ALA A 38 -3.334 5.834 8.529 1.00 0.80 C ATOM 564 O ALA A 38 -2.311 5.154 8.601 1.00 0.70 O ATOM 565 CB ALA A 38 -5.246 4.387 9.106 1.00 0.85 C ATOM 0 H ALA A 38 -3.439 4.037 6.745 1.00 0.78 H new ATOM 0 HA ALA A 38 -5.309 6.017 7.690 1.00 0.83 H new ATOM 0 HB1 ALA A 38 -5.414 5.014 9.981 1.00 0.85 H new ATOM 0 HB2 ALA A 38 -6.197 3.976 8.766 1.00 0.85 H new ATOM 0 HB3 ALA A 38 -4.571 3.572 9.368 1.00 0.85 H new ATOM 571 N LEU A 39 -3.424 7.094 8.965 1.00 1.06 N ATOM 572 CA LEU A 39 -2.388 7.814 9.695 1.00 1.10 C ATOM 573 C LEU A 39 -2.418 7.369 11.151 1.00 1.01 C ATOM 574 O LEU A 39 -1.405 6.920 11.674 1.00 1.07 O ATOM 575 CB LEU A 39 -2.630 9.329 9.630 1.00 1.56 C ATOM 576 CG LEU A 39 -2.425 9.928 8.234 1.00 0.92 C ATOM 577 CD1 LEU A 39 -3.033 11.334 8.197 1.00 2.29 C ATOM 578 CD2 LEU A 39 -0.941 10.016 7.864 1.00 2.29 C ATOM 0 H LEU A 39 -4.258 7.660 8.810 1.00 1.06 H new ATOM 0 HA LEU A 39 -1.420 7.595 9.245 1.00 1.10 H new ATOM 0 HB2 LEU A 39 -3.647 9.540 9.960 1.00 1.56 H new ATOM 0 HB3 LEU A 39 -1.958 9.825 10.331 1.00 1.56 H new ATOM 0 HG LEU A 39 -2.915 9.274 7.512 1.00 0.92 H new ATOM 0 HD11 LEU A 39 -2.891 11.766 7.206 1.00 2.29 H new ATOM 0 HD12 LEU A 39 -4.099 11.275 8.418 1.00 2.29 H new ATOM 0 HD13 LEU A 39 -2.543 11.962 8.941 1.00 2.29 H new ATOM 0 HD21 LEU A 39 -0.839 10.446 6.867 1.00 2.29 H new ATOM 0 HD22 LEU A 39 -0.423 10.647 8.586 1.00 2.29 H new ATOM 0 HD23 LEU A 39 -0.503 9.018 7.875 1.00 2.29 H new ATOM 590 N ALA A 40 -3.584 7.466 11.799 1.00 1.19 N ATOM 591 CA ALA A 40 -3.755 7.133 13.211 1.00 1.24 C ATOM 592 C ALA A 40 -3.083 5.805 13.569 1.00 1.21 C ATOM 593 O ALA A 40 -2.429 5.695 14.602 1.00 1.37 O ATOM 594 CB ALA A 40 -5.249 7.091 13.547 1.00 1.47 C ATOM 0 H ALA A 40 -4.443 7.782 11.349 1.00 1.19 H new ATOM 0 HA ALA A 40 -3.269 7.906 13.806 1.00 1.24 H new ATOM 0 HB1 ALA A 40 -5.378 6.843 14.600 1.00 1.47 H new ATOM 0 HB2 ALA A 40 -5.695 8.065 13.347 1.00 1.47 H new ATOM 0 HB3 ALA A 40 -5.739 6.335 12.933 1.00 1.47 H new ATOM 600 N THR A 41 -3.241 4.805 12.698 1.00 1.16 N ATOM 601 CA THR A 41 -2.699 3.470 12.885 1.00 1.30 C ATOM 602 C THR A 41 -1.418 3.243 12.069 1.00 1.29 C ATOM 603 O THR A 41 -0.794 2.196 12.202 1.00 1.61 O ATOM 604 CB THR A 41 -3.820 2.478 12.554 1.00 1.53 C ATOM 605 OG1 THR A 41 -5.050 2.948 13.066 1.00 2.63 O ATOM 606 CG2 THR A 41 -3.581 1.057 13.080 1.00 1.71 C ATOM 0 H THR A 41 -3.761 4.910 11.827 1.00 1.16 H new ATOM 0 HA THR A 41 -2.381 3.324 13.917 1.00 1.30 H new ATOM 0 HB THR A 41 -3.839 2.415 11.466 1.00 1.53 H new ATOM 0 HG1 THR A 41 -5.760 2.309 12.848 1.00 2.63 H new ATOM 0 HG21 THR A 41 -4.421 0.420 12.802 1.00 1.71 H new ATOM 0 HG22 THR A 41 -2.664 0.658 12.646 1.00 1.71 H new ATOM 0 HG23 THR A 41 -3.488 1.082 14.166 1.00 1.71 H new ATOM 614 N ASN A 42 -1.016 4.208 11.233 1.00 1.10 N ATOM 615 CA ASN A 42 0.159 4.132 10.370 1.00 1.16 C ATOM 616 C ASN A 42 0.169 2.836 9.574 1.00 1.18 C ATOM 617 O ASN A 42 0.975 1.944 9.806 1.00 1.66 O ATOM 618 CB ASN A 42 1.449 4.369 11.177 1.00 1.42 C ATOM 619 CG ASN A 42 2.025 5.724 10.811 1.00 0.68 C ATOM 620 OD1 ASN A 42 3.116 5.832 10.261 1.00 1.89 O ATOM 621 ND2 ASN A 42 1.243 6.763 11.065 1.00 1.23 N ATOM 0 H ASN A 42 -1.519 5.090 11.139 1.00 1.10 H new ATOM 0 HA ASN A 42 0.110 4.935 9.635 1.00 1.16 H new ATOM 0 HB2 ASN A 42 1.237 4.327 12.245 1.00 1.42 H new ATOM 0 HB3 ASN A 42 2.174 3.583 10.965 1.00 1.42 H new ATOM 0 HD21 ASN A 42 1.541 7.702 10.801 1.00 1.23 H new ATOM 0 HD22 ASN A 42 0.343 6.624 11.525 1.00 1.23 H new ATOM 628 N LYS A 43 -0.760 2.717 8.629 1.00 0.80 N ATOM 629 CA LYS A 43 -0.954 1.469 7.915 1.00 0.83 C ATOM 630 C LYS A 43 -1.595 1.696 6.561 1.00 0.79 C ATOM 631 O LYS A 43 -2.197 2.739 6.308 1.00 0.78 O ATOM 632 CB LYS A 43 -1.759 0.450 8.744 1.00 0.95 C ATOM 633 CG LYS A 43 -2.793 1.070 9.690 1.00 1.82 C ATOM 634 CD LYS A 43 -4.199 0.466 9.584 1.00 1.92 C ATOM 635 CE LYS A 43 -4.859 0.893 8.270 1.00 1.47 C ATOM 636 NZ LYS A 43 -5.227 -0.264 7.433 1.00 2.17 N ATOM 0 H LYS A 43 -1.386 3.470 8.344 1.00 0.80 H new ATOM 0 HA LYS A 43 0.036 1.044 7.748 1.00 0.83 H new ATOM 0 HB2 LYS A 43 -2.271 -0.229 8.062 1.00 0.95 H new ATOM 0 HB3 LYS A 43 -1.064 -0.151 9.330 1.00 0.95 H new ATOM 0 HG2 LYS A 43 -2.441 0.959 10.715 1.00 1.82 H new ATOM 0 HG3 LYS A 43 -2.855 2.139 9.488 1.00 1.82 H new ATOM 0 HD2 LYS A 43 -4.141 -0.621 9.634 1.00 1.92 H new ATOM 0 HD3 LYS A 43 -4.807 0.791 10.428 1.00 1.92 H new ATOM 0 HE2 LYS A 43 -5.751 1.481 8.487 1.00 1.47 H new ATOM 0 HE3 LYS A 43 -4.178 1.539 7.716 1.00 1.47 H new ATOM 0 HZ1 LYS A 43 -5.216 0.015 6.431 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 -4.545 -1.034 7.586 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 -6.180 -0.590 7.691 1.00 2.17 H new ATOM 650 N ALA A 44 -1.481 0.661 5.736 1.00 0.83 N ATOM 651 CA ALA A 44 -2.133 0.494 4.451 1.00 0.76 C ATOM 652 C ALA A 44 -2.407 -0.990 4.269 1.00 0.70 C ATOM 653 O ALA A 44 -1.488 -1.753 3.991 1.00 0.79 O ATOM 654 CB ALA A 44 -1.272 1.057 3.319 1.00 0.85 C ATOM 0 H ALA A 44 -0.888 -0.136 5.968 1.00 0.83 H new ATOM 0 HA ALA A 44 -3.070 1.049 4.422 1.00 0.76 H new ATOM 0 HB1 ALA A 44 -1.786 0.918 2.368 1.00 0.85 H new ATOM 0 HB2 ALA A 44 -1.100 2.120 3.487 1.00 0.85 H new ATOM 0 HB3 ALA A 44 -0.316 0.534 3.295 1.00 0.85 H new ATOM 660 N HIS A 45 -3.667 -1.394 4.458 1.00 0.66 N ATOM 661 CA HIS A 45 -4.092 -2.750 4.168 1.00 0.59 C ATOM 662 C HIS A 45 -4.317 -2.816 2.672 1.00 0.50 C ATOM 663 O HIS A 45 -5.304 -2.273 2.181 1.00 0.56 O ATOM 664 CB HIS A 45 -5.347 -3.125 4.967 1.00 0.65 C ATOM 665 CG HIS A 45 -5.600 -4.605 4.946 1.00 0.60 C ATOM 666 ND1 HIS A 45 -5.440 -5.506 5.973 1.00 0.74 N ATOM 667 CD2 HIS A 45 -5.818 -5.317 3.808 1.00 0.70 C ATOM 668 CE1 HIS A 45 -5.590 -6.737 5.450 1.00 1.01 C ATOM 669 NE2 HIS A 45 -5.821 -6.675 4.127 1.00 1.04 N ATOM 0 H HIS A 45 -4.408 -0.790 4.813 1.00 0.66 H new ATOM 0 HA HIS A 45 -3.336 -3.476 4.468 1.00 0.59 H new ATOM 0 HB2 HIS A 45 -5.235 -2.790 5.998 1.00 0.65 H new ATOM 0 HB3 HIS A 45 -6.210 -2.603 4.554 1.00 0.65 H new ATOM 0 HD1 HIS A 45 -5.244 -5.283 6.949 1.00 0.74 H new ATOM 0 HD2 HIS A 45 -5.964 -4.901 2.822 1.00 0.70 H new ATOM 0 HE1 HIS A 45 -5.532 -7.654 6.018 1.00 1.01 H new ATOM 677 N ILE A 46 -3.409 -3.472 1.960 1.00 0.51 N ATOM 678 CA ILE A 46 -3.497 -3.675 0.536 1.00 0.53 C ATOM 679 C ILE A 46 -3.873 -5.133 0.326 1.00 0.56 C ATOM 680 O ILE A 46 -3.099 -6.039 0.632 1.00 0.89 O ATOM 681 CB ILE A 46 -2.181 -3.281 -0.143 1.00 0.70 C ATOM 682 CG1 ILE A 46 -1.921 -1.795 0.157 1.00 1.54 C ATOM 683 CG2 ILE A 46 -2.301 -3.510 -1.657 1.00 1.19 C ATOM 684 CD1 ILE A 46 -0.596 -1.314 -0.417 1.00 1.79 C ATOM 0 H ILE A 46 -2.574 -3.884 2.376 1.00 0.51 H new ATOM 0 HA ILE A 46 -4.256 -3.042 0.077 1.00 0.53 H new ATOM 0 HB ILE A 46 -1.354 -3.884 0.231 1.00 0.70 H new ATOM 0 HG12 ILE A 46 -2.732 -1.196 -0.256 1.00 1.54 H new ATOM 0 HG13 ILE A 46 -1.926 -1.638 1.236 1.00 1.54 H new ATOM 0 HG21 ILE A 46 -1.366 -3.230 -2.143 1.00 1.19 H new ATOM 0 HG22 ILE A 46 -2.510 -4.562 -1.850 1.00 1.19 H new ATOM 0 HG23 ILE A 46 -3.112 -2.900 -2.054 1.00 1.19 H new ATOM 0 HD11 ILE A 46 -0.458 -0.259 -0.179 1.00 1.79 H new ATOM 0 HD12 ILE A 46 0.220 -1.893 0.015 1.00 1.79 H new ATOM 0 HD13 ILE A 46 -0.600 -1.444 -1.499 1.00 1.79 H new ATOM 696 N LYS A 47 -5.064 -5.377 -0.216 1.00 0.50 N ATOM 697 CA LYS A 47 -5.447 -6.723 -0.599 1.00 0.56 C ATOM 698 C LYS A 47 -4.770 -7.041 -1.930 1.00 0.67 C ATOM 699 O LYS A 47 -5.415 -7.064 -2.978 1.00 1.09 O ATOM 700 CB LYS A 47 -6.972 -6.843 -0.644 1.00 0.69 C ATOM 701 CG LYS A 47 -7.574 -7.139 0.739 1.00 0.65 C ATOM 702 CD LYS A 47 -8.857 -7.984 0.636 1.00 1.40 C ATOM 703 CE LYS A 47 -8.624 -9.510 0.598 1.00 1.86 C ATOM 704 NZ LYS A 47 -7.759 -9.958 -0.515 1.00 3.07 N ATOM 0 H LYS A 47 -5.771 -4.664 -0.396 1.00 0.50 H new ATOM 0 HA LYS A 47 -5.115 -7.459 0.133 1.00 0.56 H new ATOM 0 HB2 LYS A 47 -7.396 -5.917 -1.032 1.00 0.69 H new ATOM 0 HB3 LYS A 47 -7.252 -7.636 -1.337 1.00 0.69 H new ATOM 0 HG2 LYS A 47 -6.840 -7.665 1.350 1.00 0.65 H new ATOM 0 HG3 LYS A 47 -7.797 -6.201 1.247 1.00 0.65 H new ATOM 0 HD2 LYS A 47 -9.499 -7.749 1.485 1.00 1.40 H new ATOM 0 HD3 LYS A 47 -9.398 -7.690 -0.264 1.00 1.40 H new ATOM 0 HE2 LYS A 47 -8.176 -9.823 1.541 1.00 1.86 H new ATOM 0 HE3 LYS A 47 -9.588 -10.013 0.521 1.00 1.86 H new ATOM 0 HZ1 LYS A 47 -7.785 -10.996 -0.579 1.00 3.07 H new ATOM 0 HZ2 LYS A 47 -8.101 -9.548 -1.407 1.00 3.07 H new ATOM 0 HZ3 LYS A 47 -6.782 -9.646 -0.343 1.00 3.07 H new ATOM 718 N TYR A 48 -3.453 -7.240 -1.877 1.00 1.47 N ATOM 719 CA TYR A 48 -2.645 -7.534 -3.047 1.00 1.67 C ATOM 720 C TYR A 48 -2.993 -8.897 -3.629 1.00 1.39 C ATOM 721 O TYR A 48 -3.402 -9.792 -2.890 1.00 1.23 O ATOM 722 CB TYR A 48 -1.151 -7.445 -2.710 1.00 1.98 C ATOM 723 CG TYR A 48 -0.461 -8.684 -2.159 1.00 1.76 C ATOM 724 CD1 TYR A 48 -1.009 -9.416 -1.088 1.00 2.47 C ATOM 725 CD2 TYR A 48 0.790 -9.057 -2.684 1.00 2.17 C ATOM 726 CE1 TYR A 48 -0.307 -10.509 -0.548 1.00 2.73 C ATOM 727 CE2 TYR A 48 1.491 -10.144 -2.141 1.00 2.09 C ATOM 728 CZ TYR A 48 0.956 -10.855 -1.057 1.00 2.00 C ATOM 729 OH TYR A 48 1.672 -11.876 -0.507 1.00 2.26 O ATOM 0 H TYR A 48 -2.918 -7.200 -1.010 1.00 1.47 H new ATOM 0 HA TYR A 48 -2.868 -6.784 -3.806 1.00 1.67 H new ATOM 0 HB2 TYR A 48 -0.623 -7.145 -3.615 1.00 1.98 H new ATOM 0 HB3 TYR A 48 -1.021 -6.642 -1.985 1.00 1.98 H new ATOM 0 HD1 TYR A 48 -1.970 -9.138 -0.681 1.00 2.47 H new ATOM 0 HD2 TYR A 48 1.213 -8.503 -3.509 1.00 2.17 H new ATOM 0 HE1 TYR A 48 -0.739 -11.083 0.259 1.00 2.73 H new ATOM 0 HE2 TYR A 48 2.444 -10.434 -2.558 1.00 2.09 H new ATOM 0 HH TYR A 48 2.521 -11.975 -0.986 1.00 2.26 H new ATOM 739 N ASP A 49 -2.769 -9.082 -4.929 1.00 1.52 N ATOM 740 CA ASP A 49 -2.693 -10.408 -5.510 1.00 1.41 C ATOM 741 C ASP A 49 -1.228 -10.725 -5.832 1.00 1.25 C ATOM 742 O ASP A 49 -0.626 -10.025 -6.651 1.00 1.20 O ATOM 743 CB ASP A 49 -3.560 -10.512 -6.754 1.00 1.49 C ATOM 744 CG ASP A 49 -3.472 -11.952 -7.221 1.00 2.01 C ATOM 745 OD1 ASP A 49 -2.413 -12.308 -7.786 1.00 3.13 O ATOM 746 OD2 ASP A 49 -4.418 -12.688 -6.873 1.00 2.78 O ATOM 0 H ASP A 49 -2.637 -8.322 -5.597 1.00 1.52 H new ATOM 0 HA ASP A 49 -3.072 -11.137 -4.794 1.00 1.41 H new ATOM 0 HB2 ASP A 49 -4.592 -10.239 -6.532 1.00 1.49 H new ATOM 0 HB3 ASP A 49 -3.209 -9.831 -7.529 1.00 1.49 H new ATOM 751 N PRO A 50 -0.644 -11.759 -5.202 1.00 1.25 N ATOM 752 CA PRO A 50 0.768 -12.067 -5.324 1.00 1.18 C ATOM 753 C PRO A 50 1.159 -12.534 -6.727 1.00 1.18 C ATOM 754 O PRO A 50 2.336 -12.447 -7.072 1.00 1.63 O ATOM 755 CB PRO A 50 1.041 -13.161 -4.286 1.00 1.17 C ATOM 756 CG PRO A 50 -0.304 -13.871 -4.162 1.00 1.20 C ATOM 757 CD PRO A 50 -1.302 -12.728 -4.341 1.00 1.31 C ATOM 0 HA PRO A 50 1.366 -11.173 -5.151 1.00 1.18 H new ATOM 0 HB2 PRO A 50 1.826 -13.841 -4.616 1.00 1.17 H new ATOM 0 HB3 PRO A 50 1.363 -12.740 -3.333 1.00 1.17 H new ATOM 0 HG2 PRO A 50 -0.428 -14.640 -4.924 1.00 1.20 H new ATOM 0 HG3 PRO A 50 -0.417 -14.360 -3.194 1.00 1.20 H new ATOM 0 HD2 PRO A 50 -2.229 -13.085 -4.791 1.00 1.31 H new ATOM 0 HD3 PRO A 50 -1.564 -12.284 -3.381 1.00 1.31 H new ATOM 765 N GLU A 51 0.222 -13.061 -7.528 1.00 1.28 N ATOM 766 CA GLU A 51 0.576 -13.622 -8.822 1.00 1.42 C ATOM 767 C GLU A 51 0.875 -12.487 -9.799 1.00 1.41 C ATOM 768 O GLU A 51 1.846 -12.550 -10.550 1.00 1.89 O ATOM 769 CB GLU A 51 -0.538 -14.549 -9.330 1.00 1.50 C ATOM 770 CG GLU A 51 -0.794 -15.710 -8.355 1.00 2.43 C ATOM 771 CD GLU A 51 -1.761 -16.754 -8.908 1.00 2.49 C ATOM 772 OE1 GLU A 51 -1.975 -16.752 -10.141 1.00 2.34 O ATOM 773 OE2 GLU A 51 -2.249 -17.559 -8.087 1.00 3.80 O ATOM 0 H GLU A 51 -0.771 -13.107 -7.300 1.00 1.28 H new ATOM 0 HA GLU A 51 1.474 -14.232 -8.728 1.00 1.42 H new ATOM 0 HB2 GLU A 51 -1.456 -13.977 -9.465 1.00 1.50 H new ATOM 0 HB3 GLU A 51 -0.264 -14.947 -10.307 1.00 1.50 H new ATOM 0 HG2 GLU A 51 0.154 -16.192 -8.116 1.00 2.43 H new ATOM 0 HG3 GLU A 51 -1.193 -15.312 -7.422 1.00 2.43 H new ATOM 780 N ILE A 52 0.039 -11.445 -9.784 1.00 1.16 N ATOM 781 CA ILE A 52 0.191 -10.298 -10.675 1.00 1.27 C ATOM 782 C ILE A 52 1.085 -9.208 -10.074 1.00 1.35 C ATOM 783 O ILE A 52 1.785 -8.526 -10.820 1.00 1.58 O ATOM 784 CB ILE A 52 -1.186 -9.771 -11.122 1.00 1.18 C ATOM 785 CG1 ILE A 52 -1.127 -8.543 -12.048 1.00 2.21 C ATOM 786 CG2 ILE A 52 -2.124 -9.489 -9.954 1.00 2.29 C ATOM 787 CD1 ILE A 52 -0.382 -8.823 -13.355 1.00 3.51 C ATOM 0 H ILE A 52 -0.760 -11.376 -9.154 1.00 1.16 H new ATOM 0 HA ILE A 52 0.712 -10.635 -11.571 1.00 1.27 H new ATOM 0 HB ILE A 52 -1.594 -10.595 -11.707 1.00 1.18 H new ATOM 0 HG12 ILE A 52 -2.142 -8.216 -12.276 1.00 2.21 H new ATOM 0 HG13 ILE A 52 -0.638 -7.722 -11.525 1.00 2.21 H new ATOM 0 HG21 ILE A 52 -3.077 -9.121 -10.333 1.00 2.29 H new ATOM 0 HG22 ILE A 52 -2.289 -10.407 -9.390 1.00 2.29 H new ATOM 0 HG23 ILE A 52 -1.678 -8.738 -9.302 1.00 2.29 H new ATOM 0 HD11 ILE A 52 -0.372 -7.922 -13.968 1.00 3.51 H new ATOM 0 HD12 ILE A 52 0.642 -9.122 -13.133 1.00 3.51 H new ATOM 0 HD13 ILE A 52 -0.885 -9.624 -13.896 1.00 3.51 H new ATOM 799 N ILE A 53 1.044 -8.997 -8.754 1.00 1.21 N ATOM 800 CA ILE A 53 1.682 -7.864 -8.103 1.00 1.16 C ATOM 801 C ILE A 53 2.450 -8.375 -6.883 1.00 1.25 C ATOM 802 O ILE A 53 1.869 -8.844 -5.908 1.00 1.65 O ATOM 803 CB ILE A 53 0.600 -6.801 -7.794 1.00 1.03 C ATOM 804 CG1 ILE A 53 0.466 -5.763 -8.924 1.00 1.16 C ATOM 805 CG2 ILE A 53 0.774 -6.086 -6.456 1.00 1.21 C ATOM 806 CD1 ILE A 53 1.637 -4.778 -9.032 1.00 1.39 C ATOM 0 H ILE A 53 0.560 -9.619 -8.107 1.00 1.21 H new ATOM 0 HA ILE A 53 2.417 -7.371 -8.739 1.00 1.16 H new ATOM 0 HB ILE A 53 -0.321 -7.379 -7.722 1.00 1.03 H new ATOM 0 HG12 ILE A 53 0.364 -6.290 -9.873 1.00 1.16 H new ATOM 0 HG13 ILE A 53 -0.454 -5.198 -8.772 1.00 1.16 H new ATOM 0 HG21 ILE A 53 -0.028 -5.360 -6.324 1.00 1.21 H new ATOM 0 HG22 ILE A 53 0.740 -6.815 -5.647 1.00 1.21 H new ATOM 0 HG23 ILE A 53 1.735 -5.572 -6.441 1.00 1.21 H new ATOM 0 HD11 ILE A 53 1.455 -4.086 -9.854 1.00 1.39 H new ATOM 0 HD12 ILE A 53 1.729 -4.219 -8.101 1.00 1.39 H new ATOM 0 HD13 ILE A 53 2.559 -5.328 -9.218 1.00 1.39 H new ATOM 818 N GLY A 54 3.778 -8.293 -6.931 1.00 1.22 N ATOM 819 CA GLY A 54 4.625 -8.690 -5.825 1.00 1.27 C ATOM 820 C GLY A 54 4.659 -7.603 -4.748 1.00 1.18 C ATOM 821 O GLY A 54 4.346 -6.438 -5.015 1.00 1.17 O ATOM 0 H GLY A 54 4.291 -7.948 -7.742 1.00 1.22 H new ATOM 0 HA2 GLY A 54 4.257 -9.622 -5.396 1.00 1.27 H new ATOM 0 HA3 GLY A 54 5.635 -8.882 -6.186 1.00 1.27 H new ATOM 825 N PRO A 55 5.106 -7.944 -3.530 1.00 1.22 N ATOM 826 CA PRO A 55 5.270 -6.979 -2.454 1.00 1.24 C ATOM 827 C PRO A 55 6.189 -5.841 -2.908 1.00 1.09 C ATOM 828 O PRO A 55 5.892 -4.670 -2.688 1.00 1.09 O ATOM 829 CB PRO A 55 5.846 -7.771 -1.275 1.00 1.40 C ATOM 830 CG PRO A 55 6.511 -8.985 -1.923 1.00 1.38 C ATOM 831 CD PRO A 55 5.633 -9.245 -3.147 1.00 1.33 C ATOM 0 HA PRO A 55 4.333 -6.504 -2.164 1.00 1.24 H new ATOM 0 HB2 PRO A 55 6.565 -7.177 -0.711 1.00 1.40 H new ATOM 0 HB3 PRO A 55 5.064 -8.071 -0.578 1.00 1.40 H new ATOM 0 HG2 PRO A 55 7.544 -8.778 -2.204 1.00 1.38 H new ATOM 0 HG3 PRO A 55 6.530 -9.842 -1.250 1.00 1.38 H new ATOM 0 HD2 PRO A 55 6.211 -9.689 -3.958 1.00 1.33 H new ATOM 0 HD3 PRO A 55 4.828 -9.941 -2.912 1.00 1.33 H new ATOM 839 N ARG A 56 7.284 -6.188 -3.590 1.00 0.99 N ATOM 840 CA ARG A 56 8.211 -5.222 -4.157 1.00 0.93 C ATOM 841 C ARG A 56 7.528 -4.240 -5.114 1.00 0.83 C ATOM 842 O ARG A 56 7.952 -3.089 -5.197 1.00 0.87 O ATOM 843 CB ARG A 56 9.401 -5.941 -4.807 1.00 1.09 C ATOM 844 CG ARG A 56 9.027 -6.929 -5.926 1.00 2.35 C ATOM 845 CD ARG A 56 9.649 -6.560 -7.280 1.00 3.29 C ATOM 846 NE ARG A 56 8.933 -5.453 -7.937 1.00 4.55 N ATOM 847 CZ ARG A 56 9.320 -4.178 -8.097 1.00 5.36 C ATOM 848 NH1 ARG A 56 10.431 -3.711 -7.518 1.00 5.27 N ATOM 849 NH2 ARG A 56 8.568 -3.383 -8.858 1.00 6.89 N ATOM 0 H ARG A 56 7.549 -7.158 -3.762 1.00 0.99 H new ATOM 0 HA ARG A 56 8.594 -4.611 -3.339 1.00 0.93 H new ATOM 0 HB2 ARG A 56 10.081 -5.193 -5.215 1.00 1.09 H new ATOM 0 HB3 ARG A 56 9.948 -6.480 -4.034 1.00 1.09 H new ATOM 0 HG2 ARG A 56 9.352 -7.930 -5.643 1.00 2.35 H new ATOM 0 HG3 ARG A 56 7.942 -6.962 -6.027 1.00 2.35 H new ATOM 0 HD2 ARG A 56 10.692 -6.280 -7.135 1.00 3.29 H new ATOM 0 HD3 ARG A 56 9.641 -7.434 -7.932 1.00 3.29 H new ATOM 0 HE ARG A 56 8.018 -5.687 -8.323 1.00 4.55 H new ATOM 0 HH11 ARG A 56 11.003 -4.328 -6.941 1.00 5.27 H new ATOM 0 HH12 ARG A 56 10.706 -2.738 -7.653 1.00 5.27 H new ATOM 0 HH21 ARG A 56 7.724 -3.749 -9.300 1.00 6.89 H new ATOM 0 HH22 ARG A 56 8.836 -2.409 -8.999 1.00 6.89 H new ATOM 863 N ASP A 57 6.491 -4.665 -5.844 1.00 0.84 N ATOM 864 CA ASP A 57 5.785 -3.779 -6.759 1.00 0.81 C ATOM 865 C ASP A 57 5.000 -2.759 -5.953 1.00 0.78 C ATOM 866 O ASP A 57 5.099 -1.560 -6.200 1.00 0.75 O ATOM 867 CB ASP A 57 4.871 -4.561 -7.709 1.00 0.92 C ATOM 868 CG ASP A 57 5.644 -5.548 -8.562 1.00 1.43 C ATOM 869 OD1 ASP A 57 6.629 -5.096 -9.192 1.00 2.26 O ATOM 870 OD2 ASP A 57 5.294 -6.745 -8.516 1.00 2.60 O ATOM 0 H ASP A 57 6.127 -5.617 -5.815 1.00 0.84 H new ATOM 0 HA ASP A 57 6.513 -3.261 -7.384 1.00 0.81 H new ATOM 0 HB2 ASP A 57 4.119 -5.095 -7.129 1.00 0.92 H new ATOM 0 HB3 ASP A 57 4.339 -3.863 -8.355 1.00 0.92 H new ATOM 875 N ILE A 58 4.239 -3.235 -4.970 1.00 0.82 N ATOM 876 CA ILE A 58 3.519 -2.365 -4.051 1.00 0.83 C ATOM 877 C ILE A 58 4.482 -1.364 -3.415 1.00 0.70 C ATOM 878 O ILE A 58 4.288 -0.157 -3.559 1.00 0.63 O ATOM 879 CB ILE A 58 2.754 -3.227 -3.034 1.00 0.94 C ATOM 880 CG1 ILE A 58 1.466 -3.675 -3.732 1.00 0.85 C ATOM 881 CG2 ILE A 58 2.420 -2.486 -1.732 1.00 1.21 C ATOM 882 CD1 ILE A 58 0.850 -4.899 -3.066 1.00 0.91 C ATOM 0 H ILE A 58 4.106 -4.230 -4.791 1.00 0.82 H new ATOM 0 HA ILE A 58 2.776 -1.769 -4.580 1.00 0.83 H new ATOM 0 HB ILE A 58 3.381 -4.067 -2.733 1.00 0.94 H new ATOM 0 HG12 ILE A 58 0.746 -2.857 -3.723 1.00 0.85 H new ATOM 0 HG13 ILE A 58 1.680 -3.900 -4.777 1.00 0.85 H new ATOM 0 HG21 ILE A 58 1.880 -3.154 -1.061 1.00 1.21 H new ATOM 0 HG22 ILE A 58 3.343 -2.158 -1.253 1.00 1.21 H new ATOM 0 HG23 ILE A 58 1.799 -1.618 -1.956 1.00 1.21 H new ATOM 0 HD11 ILE A 58 -0.061 -5.181 -3.594 1.00 0.91 H new ATOM 0 HD12 ILE A 58 1.559 -5.726 -3.098 1.00 0.91 H new ATOM 0 HD13 ILE A 58 0.611 -4.667 -2.028 1.00 0.91 H new ATOM 894 N ILE A 59 5.528 -1.859 -2.750 1.00 0.70 N ATOM 895 CA ILE A 59 6.541 -1.034 -2.113 1.00 0.65 C ATOM 896 C ILE A 59 7.032 0.018 -3.111 1.00 0.55 C ATOM 897 O ILE A 59 6.923 1.214 -2.848 1.00 0.47 O ATOM 898 CB ILE A 59 7.655 -1.949 -1.577 1.00 0.73 C ATOM 899 CG1 ILE A 59 7.132 -2.729 -0.356 1.00 0.93 C ATOM 900 CG2 ILE A 59 8.907 -1.151 -1.206 1.00 0.75 C ATOM 901 CD1 ILE A 59 7.966 -3.980 -0.074 1.00 1.45 C ATOM 0 H ILE A 59 5.692 -2.860 -2.641 1.00 0.70 H new ATOM 0 HA ILE A 59 6.140 -0.487 -1.260 1.00 0.65 H new ATOM 0 HB ILE A 59 7.937 -2.648 -2.364 1.00 0.73 H new ATOM 0 HG12 ILE A 59 7.143 -2.081 0.520 1.00 0.93 H new ATOM 0 HG13 ILE A 59 6.094 -3.016 -0.527 1.00 0.93 H new ATOM 0 HG21 ILE A 59 9.673 -1.830 -0.831 1.00 0.75 H new ATOM 0 HG22 ILE A 59 9.282 -0.632 -2.088 1.00 0.75 H new ATOM 0 HG23 ILE A 59 8.659 -0.422 -0.434 1.00 0.75 H new ATOM 0 HD11 ILE A 59 7.561 -4.499 0.795 1.00 1.45 H new ATOM 0 HD12 ILE A 59 7.933 -4.642 -0.939 1.00 1.45 H new ATOM 0 HD13 ILE A 59 8.999 -3.692 0.124 1.00 1.45 H new ATOM 913 N HIS A 60 7.491 -0.423 -4.285 1.00 0.62 N ATOM 914 CA HIS A 60 7.952 0.490 -5.318 1.00 0.62 C ATOM 915 C HIS A 60 6.878 1.518 -5.678 1.00 0.57 C ATOM 916 O HIS A 60 7.193 2.687 -5.888 1.00 0.57 O ATOM 917 CB HIS A 60 8.397 -0.290 -6.558 1.00 0.83 C ATOM 918 CG HIS A 60 9.114 0.579 -7.557 1.00 1.54 C ATOM 919 ND1 HIS A 60 8.539 1.462 -8.446 1.00 3.11 N ATOM 920 CD2 HIS A 60 10.471 0.717 -7.657 1.00 2.38 C ATOM 921 CE1 HIS A 60 9.539 2.094 -9.086 1.00 4.26 C ATOM 922 NE2 HIS A 60 10.734 1.662 -8.651 1.00 3.85 N ATOM 0 H HIS A 60 7.551 -1.409 -4.538 1.00 0.62 H new ATOM 0 HA HIS A 60 8.809 1.037 -4.925 1.00 0.62 H new ATOM 0 HB2 HIS A 60 9.052 -1.106 -6.254 1.00 0.83 H new ATOM 0 HB3 HIS A 60 7.525 -0.741 -7.032 1.00 0.83 H new ATOM 0 HD2 HIS A 60 11.209 0.189 -7.071 1.00 2.38 H new ATOM 0 HE1 HIS A 60 9.400 2.847 -9.847 1.00 4.26 H new ATOM 0 HE2 HIS A 60 11.651 1.964 -8.981 1.00 3.85 H new ATOM 930 N THR A 61 5.613 1.103 -5.782 1.00 0.64 N ATOM 931 CA THR A 61 4.543 2.010 -6.170 1.00 0.76 C ATOM 932 C THR A 61 4.417 3.103 -5.112 1.00 0.69 C ATOM 933 O THR A 61 4.420 4.281 -5.455 1.00 0.84 O ATOM 934 CB THR A 61 3.222 1.259 -6.402 1.00 0.92 C ATOM 935 OG1 THR A 61 3.406 0.251 -7.374 1.00 1.16 O ATOM 936 CG2 THR A 61 2.137 2.202 -6.934 1.00 1.12 C ATOM 0 H THR A 61 5.310 0.146 -5.602 1.00 0.64 H new ATOM 0 HA THR A 61 4.787 2.477 -7.124 1.00 0.76 H new ATOM 0 HB THR A 61 2.917 0.837 -5.445 1.00 0.92 H new ATOM 0 HG1 THR A 61 3.873 -0.510 -6.971 1.00 1.16 H new ATOM 0 HG21 THR A 61 1.214 1.644 -7.089 1.00 1.12 H new ATOM 0 HG22 THR A 61 1.962 3.000 -6.212 1.00 1.12 H new ATOM 0 HG23 THR A 61 2.463 2.634 -7.880 1.00 1.12 H new ATOM 944 N ILE A 62 4.347 2.721 -3.833 1.00 0.54 N ATOM 945 CA ILE A 62 4.340 3.672 -2.728 1.00 0.54 C ATOM 946 C ILE A 62 5.539 4.620 -2.861 1.00 0.65 C ATOM 947 O ILE A 62 5.366 5.840 -2.883 1.00 0.88 O ATOM 948 CB ILE A 62 4.297 2.920 -1.377 1.00 0.40 C ATOM 949 CG1 ILE A 62 2.852 2.537 -0.998 1.00 0.43 C ATOM 950 CG2 ILE A 62 4.840 3.762 -0.212 1.00 0.61 C ATOM 951 CD1 ILE A 62 2.347 1.278 -1.692 1.00 1.41 C ATOM 0 H ILE A 62 4.294 1.745 -3.540 1.00 0.54 H new ATOM 0 HA ILE A 62 3.442 4.289 -2.762 1.00 0.54 H new ATOM 0 HB ILE A 62 4.921 2.038 -1.523 1.00 0.40 H new ATOM 0 HG12 ILE A 62 2.795 2.393 0.081 1.00 0.43 H new ATOM 0 HG13 ILE A 62 2.190 3.367 -1.244 1.00 0.43 H new ATOM 0 HG21 ILE A 62 4.786 3.184 0.711 1.00 0.61 H new ATOM 0 HG22 ILE A 62 5.877 4.032 -0.411 1.00 0.61 H new ATOM 0 HG23 ILE A 62 4.243 4.668 -0.109 1.00 0.61 H new ATOM 0 HD11 ILE A 62 1.324 1.073 -1.375 1.00 1.41 H new ATOM 0 HD12 ILE A 62 2.370 1.424 -2.772 1.00 1.41 H new ATOM 0 HD13 ILE A 62 2.985 0.435 -1.426 1.00 1.41 H new ATOM 963 N GLU A 63 6.746 4.065 -2.977 1.00 0.57 N ATOM 964 CA GLU A 63 7.972 4.842 -3.088 1.00 0.72 C ATOM 965 C GLU A 63 7.912 5.822 -4.265 1.00 0.79 C ATOM 966 O GLU A 63 8.377 6.954 -4.153 1.00 0.93 O ATOM 967 CB GLU A 63 9.166 3.887 -3.188 1.00 0.75 C ATOM 968 CG GLU A 63 9.367 3.136 -1.860 1.00 0.93 C ATOM 969 CD GLU A 63 10.333 1.962 -1.967 1.00 1.02 C ATOM 970 OE1 GLU A 63 10.633 1.552 -3.110 1.00 1.58 O ATOM 971 OE2 GLU A 63 10.733 1.475 -0.888 1.00 2.21 O ATOM 0 H GLU A 63 6.897 3.056 -2.996 1.00 0.57 H new ATOM 0 HA GLU A 63 8.093 5.454 -2.194 1.00 0.72 H new ATOM 0 HB2 GLU A 63 9.002 3.173 -3.995 1.00 0.75 H new ATOM 0 HB3 GLU A 63 10.068 4.447 -3.436 1.00 0.75 H new ATOM 0 HG2 GLU A 63 9.737 3.834 -1.109 1.00 0.93 H new ATOM 0 HG3 GLU A 63 8.402 2.772 -1.508 1.00 0.93 H new ATOM 978 N SER A 64 7.304 5.407 -5.380 1.00 0.82 N ATOM 979 CA SER A 64 7.202 6.222 -6.582 1.00 0.96 C ATOM 980 C SER A 64 6.379 7.498 -6.375 1.00 0.92 C ATOM 981 O SER A 64 6.451 8.385 -7.222 1.00 1.36 O ATOM 982 CB SER A 64 6.637 5.403 -7.748 1.00 1.05 C ATOM 983 OG SER A 64 7.468 4.295 -8.037 1.00 2.20 O ATOM 0 H SER A 64 6.868 4.489 -5.469 1.00 0.82 H new ATOM 0 HA SER A 64 8.216 6.539 -6.825 1.00 0.96 H new ATOM 0 HB2 SER A 64 5.634 5.055 -7.501 1.00 1.05 H new ATOM 0 HB3 SER A 64 6.547 6.035 -8.631 1.00 1.05 H new ATOM 0 HG SER A 64 7.355 3.611 -7.344 1.00 2.20 H new ATOM 989 N LEU A 65 5.587 7.608 -5.298 1.00 0.55 N ATOM 990 CA LEU A 65 4.962 8.873 -4.951 1.00 0.56 C ATOM 991 C LEU A 65 6.006 9.769 -4.271 1.00 0.74 C ATOM 992 O LEU A 65 6.747 10.472 -4.954 1.00 1.18 O ATOM 993 CB LEU A 65 3.721 8.631 -4.080 1.00 0.67 C ATOM 994 CG LEU A 65 2.470 8.112 -4.808 1.00 0.80 C ATOM 995 CD1 LEU A 65 2.018 9.030 -5.948 1.00 2.27 C ATOM 996 CD2 LEU A 65 2.596 6.675 -5.312 1.00 1.78 C ATOM 0 H LEU A 65 5.371 6.839 -4.664 1.00 0.55 H new ATOM 0 HA LEU A 65 4.612 9.388 -5.845 1.00 0.56 H new ATOM 0 HB2 LEU A 65 3.984 7.917 -3.300 1.00 0.67 H new ATOM 0 HB3 LEU A 65 3.464 9.566 -3.582 1.00 0.67 H new ATOM 0 HG LEU A 65 1.699 8.117 -4.038 1.00 0.80 H new ATOM 0 HD11 LEU A 65 1.131 8.610 -6.423 1.00 2.27 H new ATOM 0 HD12 LEU A 65 1.783 10.017 -5.549 1.00 2.27 H new ATOM 0 HD13 LEU A 65 2.817 9.117 -6.684 1.00 2.27 H new ATOM 0 HD21 LEU A 65 1.673 6.383 -5.814 1.00 1.78 H new ATOM 0 HD22 LEU A 65 3.428 6.607 -6.013 1.00 1.78 H new ATOM 0 HD23 LEU A 65 2.777 6.008 -4.469 1.00 1.78 H new ATOM 1008 N GLY A 66 6.043 9.803 -2.936 1.00 0.79 N ATOM 1009 CA GLY A 66 7.069 10.527 -2.195 1.00 0.94 C ATOM 1010 C GLY A 66 7.181 9.968 -0.782 1.00 0.85 C ATOM 1011 O GLY A 66 7.180 10.727 0.184 1.00 1.02 O ATOM 0 H GLY A 66 5.362 9.329 -2.343 1.00 0.79 H new ATOM 0 HA2 GLY A 66 8.028 10.441 -2.706 1.00 0.94 H new ATOM 0 HA3 GLY A 66 6.822 11.588 -2.157 1.00 0.94 H new ATOM 1015 N PHE A 67 7.196 8.639 -0.664 1.00 0.80 N ATOM 1016 CA PHE A 67 6.963 7.916 0.580 1.00 0.73 C ATOM 1017 C PHE A 67 8.023 6.823 0.732 1.00 0.90 C ATOM 1018 O PHE A 67 8.822 6.612 -0.176 1.00 1.24 O ATOM 1019 CB PHE A 67 5.561 7.289 0.524 1.00 0.73 C ATOM 1020 CG PHE A 67 4.409 8.228 0.201 1.00 0.64 C ATOM 1021 CD1 PHE A 67 4.356 9.525 0.750 1.00 1.49 C ATOM 1022 CD2 PHE A 67 3.373 7.797 -0.651 1.00 1.75 C ATOM 1023 CE1 PHE A 67 3.324 10.406 0.386 1.00 1.41 C ATOM 1024 CE2 PHE A 67 2.317 8.666 -0.979 1.00 1.86 C ATOM 1025 CZ PHE A 67 2.296 9.972 -0.466 1.00 0.74 C ATOM 0 H PHE A 67 7.376 8.022 -1.456 1.00 0.80 H new ATOM 0 HA PHE A 67 7.027 8.592 1.433 1.00 0.73 H new ATOM 0 HB2 PHE A 67 5.572 6.494 -0.222 1.00 0.73 H new ATOM 0 HB3 PHE A 67 5.359 6.820 1.487 1.00 0.73 H new ATOM 0 HD1 PHE A 67 5.112 9.843 1.453 1.00 1.49 H new ATOM 0 HD2 PHE A 67 3.390 6.795 -1.054 1.00 1.75 H new ATOM 0 HE1 PHE A 67 3.321 11.418 0.762 1.00 1.41 H new ATOM 0 HE2 PHE A 67 1.521 8.328 -1.626 1.00 1.86 H new ATOM 0 HZ PHE A 67 1.490 10.642 -0.726 1.00 0.74 H new ATOM 1035 N GLU A 68 8.000 6.105 1.857 1.00 0.80 N ATOM 1036 CA GLU A 68 8.701 4.842 2.023 1.00 0.99 C ATOM 1037 C GLU A 68 7.783 3.898 2.808 1.00 0.74 C ATOM 1038 O GLU A 68 6.743 4.327 3.318 1.00 0.91 O ATOM 1039 CB GLU A 68 10.075 5.055 2.677 1.00 1.64 C ATOM 1040 CG GLU A 68 10.022 6.004 3.879 1.00 1.75 C ATOM 1041 CD GLU A 68 11.262 5.904 4.752 1.00 2.27 C ATOM 1042 OE1 GLU A 68 12.320 5.470 4.258 1.00 3.51 O ATOM 1043 OE2 GLU A 68 11.134 6.119 5.978 1.00 2.37 O ATOM 0 H GLU A 68 7.484 6.394 2.688 1.00 0.80 H new ATOM 0 HA GLU A 68 8.920 4.384 1.059 1.00 0.99 H new ATOM 0 HB2 GLU A 68 10.472 4.092 2.998 1.00 1.64 H new ATOM 0 HB3 GLU A 68 10.767 5.454 1.935 1.00 1.64 H new ATOM 0 HG2 GLU A 68 9.912 7.029 3.525 1.00 1.75 H new ATOM 0 HG3 GLU A 68 9.140 5.778 4.478 1.00 1.75 H new ATOM 1050 N ALA A 69 8.133 2.610 2.851 1.00 0.64 N ATOM 1051 CA ALA A 69 7.265 1.532 3.308 1.00 0.65 C ATOM 1052 C ALA A 69 8.030 0.590 4.236 1.00 0.72 C ATOM 1053 O ALA A 69 9.247 0.450 4.111 1.00 0.90 O ATOM 1054 CB ALA A 69 6.777 0.765 2.077 1.00 0.90 C ATOM 0 H ALA A 69 9.054 2.284 2.560 1.00 0.64 H new ATOM 0 HA ALA A 69 6.421 1.943 3.862 1.00 0.65 H new ATOM 0 HB1 ALA A 69 6.124 -0.049 2.391 1.00 0.90 H new ATOM 0 HB2 ALA A 69 6.226 1.440 1.422 1.00 0.90 H new ATOM 0 HB3 ALA A 69 7.633 0.357 1.540 1.00 0.90 H new ATOM 1060 N SER A 70 7.335 -0.080 5.161 1.00 0.78 N ATOM 1061 CA SER A 70 7.896 -1.183 5.936 1.00 0.93 C ATOM 1062 C SER A 70 6.793 -2.168 6.331 1.00 0.94 C ATOM 1063 O SER A 70 5.817 -1.770 6.961 1.00 1.04 O ATOM 1064 CB SER A 70 8.607 -0.646 7.185 1.00 1.08 C ATOM 1065 OG SER A 70 9.677 0.210 6.818 1.00 1.98 O ATOM 0 H SER A 70 6.364 0.131 5.391 1.00 0.78 H new ATOM 0 HA SER A 70 8.626 -1.709 5.320 1.00 0.93 H new ATOM 0 HB2 SER A 70 7.897 -0.104 7.810 1.00 1.08 H new ATOM 0 HB3 SER A 70 8.986 -1.477 7.780 1.00 1.08 H new ATOM 0 HG SER A 70 9.721 0.278 5.841 1.00 1.98 H new ATOM 1071 N LEU A 71 6.945 -3.448 5.979 1.00 0.97 N ATOM 1072 CA LEU A 71 6.082 -4.505 6.496 1.00 1.04 C ATOM 1073 C LEU A 71 6.314 -4.643 8.002 1.00 1.18 C ATOM 1074 O LEU A 71 7.417 -4.390 8.487 1.00 1.90 O ATOM 1075 CB LEU A 71 6.347 -5.836 5.776 1.00 1.18 C ATOM 1076 CG LEU A 71 5.643 -5.952 4.412 1.00 2.05 C ATOM 1077 CD1 LEU A 71 6.163 -4.946 3.379 1.00 3.53 C ATOM 1078 CD2 LEU A 71 5.829 -7.373 3.868 1.00 2.43 C ATOM 0 H LEU A 71 7.664 -3.775 5.333 1.00 0.97 H new ATOM 0 HA LEU A 71 5.041 -4.241 6.312 1.00 1.04 H new ATOM 0 HB2 LEU A 71 7.421 -5.953 5.632 1.00 1.18 H new ATOM 0 HB3 LEU A 71 6.020 -6.656 6.415 1.00 1.18 H new ATOM 0 HG LEU A 71 4.589 -5.728 4.576 1.00 2.05 H new ATOM 0 HD11 LEU A 71 5.627 -5.079 2.439 1.00 3.53 H new ATOM 0 HD12 LEU A 71 6.005 -3.932 3.747 1.00 3.53 H new ATOM 0 HD13 LEU A 71 7.228 -5.110 3.215 1.00 3.53 H new ATOM 0 HD21 LEU A 71 5.332 -7.461 2.902 1.00 2.43 H new ATOM 0 HD22 LEU A 71 6.892 -7.581 3.749 1.00 2.43 H new ATOM 0 HD23 LEU A 71 5.395 -8.089 4.565 1.00 2.43 H new ATOM 1090 N VAL A 72 5.269 -5.033 8.732 1.00 1.16 N ATOM 1091 CA VAL A 72 5.298 -5.292 10.162 1.00 1.27 C ATOM 1092 C VAL A 72 4.438 -6.533 10.357 1.00 1.18 C ATOM 1093 O VAL A 72 3.335 -6.551 9.828 1.00 2.13 O ATOM 1094 CB VAL A 72 4.708 -4.094 10.927 1.00 1.61 C ATOM 1095 CG1 VAL A 72 4.754 -4.337 12.440 1.00 2.65 C ATOM 1096 CG2 VAL A 72 5.459 -2.801 10.597 1.00 2.39 C ATOM 0 H VAL A 72 4.346 -5.181 8.323 1.00 1.16 H new ATOM 0 HA VAL A 72 6.311 -5.440 10.537 1.00 1.27 H new ATOM 0 HB VAL A 72 3.670 -3.988 10.612 1.00 1.61 H new ATOM 0 HG11 VAL A 72 4.332 -3.477 12.960 1.00 2.65 H new ATOM 0 HG12 VAL A 72 4.175 -5.228 12.683 1.00 2.65 H new ATOM 0 HG13 VAL A 72 5.788 -4.479 12.754 1.00 2.65 H new ATOM 0 HG21 VAL A 72 5.019 -1.973 11.153 1.00 2.39 H new ATOM 0 HG22 VAL A 72 6.507 -2.908 10.875 1.00 2.39 H new ATOM 0 HG23 VAL A 72 5.386 -2.600 9.528 1.00 2.39 H new ATOM 1106 N LYS A 73 4.938 -7.545 11.076 1.00 1.83 N ATOM 1107 CA LYS A 73 4.366 -8.888 11.169 1.00 1.96 C ATOM 1108 C LYS A 73 4.522 -9.655 9.849 1.00 2.57 C ATOM 1109 O LYS A 73 4.646 -9.059 8.781 1.00 3.79 O ATOM 1110 CB LYS A 73 2.952 -8.905 11.804 1.00 2.94 C ATOM 1111 CG LYS A 73 1.773 -9.471 10.983 1.00 2.85 C ATOM 1112 CD LYS A 73 1.347 -8.530 9.848 1.00 3.10 C ATOM 1113 CE LYS A 73 0.049 -8.915 9.141 1.00 3.55 C ATOM 1114 NZ LYS A 73 0.167 -10.177 8.390 1.00 3.62 N ATOM 0 H LYS A 73 5.788 -7.443 11.631 1.00 1.83 H new ATOM 0 HA LYS A 73 4.953 -9.458 11.889 1.00 1.96 H new ATOM 0 HB2 LYS A 73 3.013 -9.477 12.730 1.00 2.94 H new ATOM 0 HB3 LYS A 73 2.701 -7.880 12.078 1.00 2.94 H new ATOM 0 HG2 LYS A 73 2.056 -10.437 10.564 1.00 2.85 H new ATOM 0 HG3 LYS A 73 0.924 -9.646 11.644 1.00 2.85 H new ATOM 0 HD2 LYS A 73 1.238 -7.524 10.253 1.00 3.10 H new ATOM 0 HD3 LYS A 73 2.147 -8.491 9.109 1.00 3.10 H new ATOM 0 HE2 LYS A 73 -0.748 -9.008 9.878 1.00 3.55 H new ATOM 0 HE3 LYS A 73 -0.240 -8.116 8.458 1.00 3.55 H new ATOM 0 HZ1 LYS A 73 -0.235 -10.054 7.439 1.00 3.62 H new ATOM 0 HZ2 LYS A 73 1.170 -10.441 8.311 1.00 3.62 H new ATOM 0 HZ3 LYS A 73 -0.351 -10.928 8.890 1.00 3.62 H new ATOM 1128 N ILE A 74 4.574 -10.987 9.929 1.00 3.54 N ATOM 1129 CA ILE A 74 4.804 -11.830 8.762 1.00 5.44 C ATOM 1130 C ILE A 74 3.604 -11.797 7.808 1.00 6.58 C ATOM 1131 O ILE A 74 2.461 -11.610 8.248 1.00 6.69 O ATOM 1132 CB ILE A 74 5.198 -13.258 9.188 1.00 6.54 C ATOM 1133 CG1 ILE A 74 4.095 -13.951 10.010 1.00 6.95 C ATOM 1134 CG2 ILE A 74 6.528 -13.216 9.955 1.00 6.82 C ATOM 1135 CD1 ILE A 74 4.436 -15.407 10.338 1.00 8.11 C ATOM 0 H ILE A 74 4.458 -11.505 10.800 1.00 3.54 H new ATOM 0 HA ILE A 74 5.648 -11.427 8.202 1.00 5.44 H new ATOM 0 HB ILE A 74 5.324 -13.858 8.287 1.00 6.54 H new ATOM 0 HG12 ILE A 74 3.937 -13.400 10.937 1.00 6.95 H new ATOM 0 HG13 ILE A 74 3.157 -13.917 9.455 1.00 6.95 H new ATOM 0 HG21 ILE A 74 6.806 -14.226 10.256 1.00 6.82 H new ATOM 0 HG22 ILE A 74 7.305 -12.802 9.313 1.00 6.82 H new ATOM 0 HG23 ILE A 74 6.418 -12.591 10.841 1.00 6.82 H new ATOM 0 HD11 ILE A 74 3.626 -15.849 10.918 1.00 8.11 H new ATOM 0 HD12 ILE A 74 4.567 -15.967 9.412 1.00 8.11 H new ATOM 0 HD13 ILE A 74 5.359 -15.443 10.917 1.00 8.11 H new ATOM 1147 N GLU A 75 3.894 -11.962 6.513 1.00 7.90 N ATOM 1148 CA GLU A 75 2.999 -12.016 5.372 1.00 9.44 C ATOM 1149 C GLU A 75 3.756 -12.803 4.304 1.00 10.73 C ATOM 1150 O GLU A 75 4.971 -13.015 4.539 1.00 10.70 O ATOM 1151 CB GLU A 75 2.666 -10.601 4.867 1.00 10.09 C ATOM 1152 CG GLU A 75 1.829 -9.891 5.929 1.00 9.53 C ATOM 1153 CD GLU A 75 1.194 -8.587 5.497 1.00 10.53 C ATOM 1154 OE1 GLU A 75 1.862 -7.795 4.801 1.00 11.17 O ATOM 1155 OE2 GLU A 75 0.036 -8.384 5.924 1.00 10.96 O ATOM 1156 OXT GLU A 75 3.117 -13.173 3.295 1.00 12.00 O ATOM 0 H GLU A 75 4.864 -12.071 6.217 1.00 7.90 H new ATOM 0 HA GLU A 75 2.049 -12.484 5.628 1.00 9.44 H new ATOM 0 HB2 GLU A 75 3.582 -10.043 4.672 1.00 10.09 H new ATOM 0 HB3 GLU A 75 2.118 -10.654 3.926 1.00 10.09 H new ATOM 0 HG2 GLU A 75 1.040 -10.568 6.256 1.00 9.53 H new ATOM 0 HG3 GLU A 75 2.462 -9.697 6.795 1.00 9.53 H new TER 1163 GLU A 75 HETATM 1164 CU CU1 A 76 0.329 15.211 2.487 1.00 0.89 CU