USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 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 27 THR OG1 : rot 83:sc= 1.05 USER MOD Set 1.2: A 35 CYS SG : rot -13:sc= -0.81 USER MOD Set 2.1: A 25 SER OG : rot 180:sc= 0.791 USER MOD Set 2.2: A 28 LYS NZ :NH3+ 162:sc= 2.12 (180deg=-0.545) USER MOD Set 3.1: A 17 SER OG : rot 180:sc= 0.763 USER MOD Set 3.2: A 21 LYS NZ :NH3+ 179:sc= 0.687! (180deg=-0.417!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.29 (180deg=1.01) USER MOD Single : A 13 MET CE :methyl -161:sc= -1.18 (180deg=-2.37) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.764 K(o=-0.76,f=-1.5) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-9.6!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 53:sc= 1.25 USER MOD Single : A 41 THR OG1 : rot -160:sc= -0.123 USER MOD Single : A 42 ASN : amide:sc= 0.663 K(o=0.66,f=-0.018) USER MOD Single : A 43 LYS NZ :NH3+ -107:sc= 0.807 (180deg=-3.99!) USER MOD Single : A 45 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-2.7) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0.0276 (180deg=-0.154) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.29) USER MOD Single : A 61 THR OG1 : rot 78:sc= 1.16 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 81:sc= 1.19 USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= -0.684! (180deg=-3.07!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.579 -6.321 -9.083 1.00 5.89 N ATOM 2 CA MET A 1 -15.001 -7.727 -9.208 1.00 4.34 C ATOM 3 C MET A 1 -14.246 -8.465 -8.109 1.00 3.05 C ATOM 4 O MET A 1 -14.560 -8.249 -6.944 1.00 3.92 O ATOM 5 CB MET A 1 -14.755 -8.247 -10.636 1.00 4.67 C ATOM 6 CG MET A 1 -15.270 -9.680 -10.847 1.00 4.76 C ATOM 7 SD MET A 1 -14.941 -10.334 -12.502 1.00 6.10 S ATOM 8 CE MET A 1 -15.645 -11.990 -12.335 1.00 6.43 C ATOM 0 H1 MET A 1 -14.920 -5.782 -9.904 1.00 5.89 H new ATOM 0 H2 MET A 1 -14.977 -5.915 -8.212 1.00 5.89 H new ATOM 0 H3 MET A 1 -13.541 -6.272 -9.044 1.00 5.89 H new ATOM 0 HA MET A 1 -16.072 -7.877 -9.070 1.00 4.34 H new ATOM 0 HB2 MET A 1 -15.243 -7.582 -11.349 1.00 4.67 H new ATOM 0 HB3 MET A 1 -13.687 -8.215 -10.850 1.00 4.67 H new ATOM 0 HG2 MET A 1 -14.808 -10.335 -10.108 1.00 4.76 H new ATOM 0 HG3 MET A 1 -16.344 -9.701 -10.664 1.00 4.76 H new ATOM 0 HE1 MET A 1 -15.525 -12.532 -13.273 1.00 6.43 H new ATOM 0 HE2 MET A 1 -15.130 -12.526 -11.538 1.00 6.43 H new ATOM 0 HE3 MET A 1 -16.705 -11.912 -12.094 1.00 6.43 H new ATOM 20 N GLY A 2 -13.140 -9.124 -8.460 1.00 2.16 N ATOM 21 CA GLY A 2 -11.954 -9.027 -7.626 1.00 2.38 C ATOM 22 C GLY A 2 -11.371 -7.615 -7.781 1.00 1.84 C ATOM 23 O GLY A 2 -12.043 -6.732 -8.329 1.00 2.66 O ATOM 0 H GLY A 2 -13.046 -9.711 -9.289 1.00 2.16 H new ATOM 0 HA2 GLY A 2 -12.206 -9.222 -6.583 1.00 2.38 H new ATOM 0 HA3 GLY A 2 -11.219 -9.776 -7.922 1.00 2.38 H new ATOM 27 N ASP A 3 -10.118 -7.431 -7.349 1.00 2.06 N ATOM 28 CA ASP A 3 -9.379 -6.170 -7.377 1.00 1.71 C ATOM 29 C ASP A 3 -9.915 -5.190 -6.324 1.00 1.77 C ATOM 30 O ASP A 3 -10.991 -5.388 -5.759 1.00 2.42 O ATOM 31 CB ASP A 3 -9.352 -5.565 -8.793 1.00 1.79 C ATOM 32 CG ASP A 3 -8.264 -4.528 -9.017 1.00 3.09 C ATOM 33 OD1 ASP A 3 -7.440 -4.263 -8.108 1.00 4.56 O ATOM 34 OD2 ASP A 3 -8.176 -4.024 -10.159 1.00 3.53 O ATOM 0 H ASP A 3 -9.569 -8.194 -6.953 1.00 2.06 H new ATOM 0 HA ASP A 3 -8.343 -6.379 -7.112 1.00 1.71 H new ATOM 0 HB2 ASP A 3 -9.222 -6.371 -9.516 1.00 1.79 H new ATOM 0 HB3 ASP A 3 -10.320 -5.107 -8.997 1.00 1.79 H new ATOM 39 N GLY A 4 -9.153 -4.131 -6.055 1.00 1.91 N ATOM 40 CA GLY A 4 -9.430 -3.194 -4.981 1.00 2.09 C ATOM 41 C GLY A 4 -8.445 -2.037 -5.053 1.00 1.99 C ATOM 42 O GLY A 4 -7.504 -1.966 -4.271 1.00 2.97 O ATOM 0 H GLY A 4 -8.314 -3.901 -6.588 1.00 1.91 H new ATOM 0 HA2 GLY A 4 -10.451 -2.822 -5.062 1.00 2.09 H new ATOM 0 HA3 GLY A 4 -9.349 -3.695 -4.016 1.00 2.09 H new ATOM 46 N VAL A 5 -8.652 -1.125 -6.004 1.00 1.26 N ATOM 47 CA VAL A 5 -7.674 -0.104 -6.366 1.00 1.23 C ATOM 48 C VAL A 5 -7.664 1.068 -5.373 1.00 1.56 C ATOM 49 O VAL A 5 -7.884 2.218 -5.746 1.00 2.70 O ATOM 50 CB VAL A 5 -7.915 0.327 -7.829 1.00 1.26 C ATOM 51 CG1 VAL A 5 -7.731 -0.886 -8.749 1.00 2.13 C ATOM 52 CG2 VAL A 5 -9.309 0.916 -8.110 1.00 2.41 C ATOM 0 H VAL A 5 -9.513 -1.076 -6.549 1.00 1.26 H new ATOM 0 HA VAL A 5 -6.670 -0.523 -6.301 1.00 1.23 H new ATOM 0 HB VAL A 5 -7.190 1.119 -8.019 1.00 1.26 H new ATOM 0 HG11 VAL A 5 -7.900 -0.587 -9.783 1.00 2.13 H new ATOM 0 HG12 VAL A 5 -6.717 -1.272 -8.644 1.00 2.13 H new ATOM 0 HG13 VAL A 5 -8.445 -1.663 -8.474 1.00 2.13 H new ATOM 0 HG21 VAL A 5 -9.383 1.189 -9.163 1.00 2.41 H new ATOM 0 HG22 VAL A 5 -10.072 0.175 -7.873 1.00 2.41 H new ATOM 0 HG23 VAL A 5 -9.460 1.802 -7.494 1.00 2.41 H new ATOM 62 N LEU A 6 -7.389 0.793 -4.097 1.00 0.82 N ATOM 63 CA LEU A 6 -7.328 1.838 -3.085 1.00 0.88 C ATOM 64 C LEU A 6 -5.957 2.512 -3.110 1.00 0.78 C ATOM 65 O LEU A 6 -4.924 1.843 -3.038 1.00 0.77 O ATOM 66 CB LEU A 6 -7.653 1.311 -1.679 1.00 1.03 C ATOM 67 CG LEU A 6 -9.161 1.114 -1.433 1.00 1.70 C ATOM 68 CD1 LEU A 6 -9.702 -0.153 -2.105 1.00 2.57 C ATOM 69 CD2 LEU A 6 -9.437 1.068 0.075 1.00 2.18 C ATOM 0 H LEU A 6 -7.206 -0.146 -3.744 1.00 0.82 H new ATOM 0 HA LEU A 6 -8.094 2.575 -3.327 1.00 0.88 H new ATOM 0 HB2 LEU A 6 -7.141 0.361 -1.528 1.00 1.03 H new ATOM 0 HB3 LEU A 6 -7.259 2.007 -0.938 1.00 1.03 H new ATOM 0 HG LEU A 6 -9.680 1.962 -1.881 1.00 1.70 H new ATOM 0 HD11 LEU A 6 -10.769 -0.246 -1.901 1.00 2.57 H new ATOM 0 HD12 LEU A 6 -9.542 -0.091 -3.181 1.00 2.57 H new ATOM 0 HD13 LEU A 6 -9.180 -1.025 -1.711 1.00 2.57 H new ATOM 0 HD21 LEU A 6 -10.505 0.929 0.245 1.00 2.18 H new ATOM 0 HD22 LEU A 6 -8.887 0.239 0.520 1.00 2.18 H new ATOM 0 HD23 LEU A 6 -9.116 2.004 0.532 1.00 2.18 H new ATOM 81 N GLU A 7 -5.974 3.847 -3.169 1.00 0.95 N ATOM 82 CA GLU A 7 -4.821 4.697 -2.958 1.00 0.91 C ATOM 83 C GLU A 7 -4.792 5.092 -1.483 1.00 0.83 C ATOM 84 O GLU A 7 -5.595 5.924 -1.042 1.00 1.26 O ATOM 85 CB GLU A 7 -4.894 5.936 -3.854 1.00 1.03 C ATOM 86 CG GLU A 7 -5.170 5.590 -5.321 1.00 0.96 C ATOM 87 CD GLU A 7 -4.923 6.809 -6.187 1.00 1.57 C ATOM 88 OE1 GLU A 7 -5.447 7.896 -5.851 1.00 2.35 O ATOM 89 OE2 GLU A 7 -4.077 6.728 -7.105 1.00 2.49 O ATOM 0 H GLU A 7 -6.824 4.373 -3.372 1.00 0.95 H new ATOM 0 HA GLU A 7 -3.907 4.164 -3.218 1.00 0.91 H new ATOM 0 HB2 GLU A 7 -5.678 6.599 -3.488 1.00 1.03 H new ATOM 0 HB3 GLU A 7 -3.955 6.485 -3.785 1.00 1.03 H new ATOM 0 HG2 GLU A 7 -4.527 4.770 -5.639 1.00 0.96 H new ATOM 0 HG3 GLU A 7 -6.199 5.251 -5.438 1.00 0.96 H new ATOM 96 N LEU A 8 -3.879 4.492 -0.721 1.00 0.46 N ATOM 97 CA LEU A 8 -3.617 4.895 0.650 1.00 0.49 C ATOM 98 C LEU A 8 -2.446 5.876 0.619 1.00 0.43 C ATOM 99 O LEU A 8 -1.407 5.589 0.028 1.00 0.43 O ATOM 100 CB LEU A 8 -3.391 3.695 1.592 1.00 0.59 C ATOM 101 CG LEU A 8 -2.579 2.548 0.974 1.00 0.86 C ATOM 102 CD1 LEU A 8 -1.788 1.791 2.043 1.00 1.10 C ATOM 103 CD2 LEU A 8 -3.491 1.528 0.276 1.00 1.51 C ATOM 0 H LEU A 8 -3.303 3.714 -1.041 1.00 0.46 H new ATOM 0 HA LEU A 8 -4.492 5.389 1.072 1.00 0.49 H new ATOM 0 HB2 LEU A 8 -2.879 4.044 2.489 1.00 0.59 H new ATOM 0 HB3 LEU A 8 -4.360 3.309 1.908 1.00 0.59 H new ATOM 0 HG LEU A 8 -1.903 3.007 0.253 1.00 0.86 H new ATOM 0 HD11 LEU A 8 -1.223 0.985 1.575 1.00 1.10 H new ATOM 0 HD12 LEU A 8 -1.100 2.475 2.539 1.00 1.10 H new ATOM 0 HD13 LEU A 8 -2.477 1.373 2.777 1.00 1.10 H new ATOM 0 HD21 LEU A 8 -2.884 0.729 -0.151 1.00 1.51 H new ATOM 0 HD22 LEU A 8 -4.188 1.107 1.001 1.00 1.51 H new ATOM 0 HD23 LEU A 8 -4.049 2.023 -0.518 1.00 1.51 H new ATOM 115 N VAL A 9 -2.619 7.048 1.228 1.00 0.45 N ATOM 116 CA VAL A 9 -1.577 8.050 1.348 1.00 0.45 C ATOM 117 C VAL A 9 -0.668 7.584 2.481 1.00 0.41 C ATOM 118 O VAL A 9 -1.002 7.700 3.664 1.00 0.53 O ATOM 119 CB VAL A 9 -2.164 9.458 1.548 1.00 0.58 C ATOM 120 CG1 VAL A 9 -1.042 10.498 1.669 1.00 0.81 C ATOM 121 CG2 VAL A 9 -3.060 9.834 0.360 1.00 1.02 C ATOM 0 H VAL A 9 -3.502 7.326 1.656 1.00 0.45 H new ATOM 0 HA VAL A 9 -0.993 8.144 0.433 1.00 0.45 H new ATOM 0 HB VAL A 9 -2.752 9.450 2.466 1.00 0.58 H new ATOM 0 HG11 VAL A 9 -1.477 11.488 1.810 1.00 0.81 H new ATOM 0 HG12 VAL A 9 -0.410 10.254 2.523 1.00 0.81 H new ATOM 0 HG13 VAL A 9 -0.441 10.492 0.760 1.00 0.81 H new ATOM 0 HG21 VAL A 9 -3.469 10.833 0.514 1.00 1.02 H new ATOM 0 HG22 VAL A 9 -2.472 9.820 -0.558 1.00 1.02 H new ATOM 0 HG23 VAL A 9 -3.876 9.116 0.278 1.00 1.02 H new ATOM 131 N VAL A 10 0.452 6.985 2.088 1.00 0.40 N ATOM 132 CA VAL A 10 1.413 6.332 2.948 1.00 0.38 C ATOM 133 C VAL A 10 2.348 7.397 3.502 1.00 0.39 C ATOM 134 O VAL A 10 3.525 7.487 3.146 1.00 0.57 O ATOM 135 CB VAL A 10 2.124 5.213 2.171 1.00 0.39 C ATOM 136 CG1 VAL A 10 1.211 3.989 2.062 1.00 0.59 C ATOM 137 CG2 VAL A 10 2.542 5.626 0.754 1.00 0.64 C ATOM 0 H VAL A 10 0.721 6.944 1.105 1.00 0.40 H new ATOM 0 HA VAL A 10 0.937 5.843 3.798 1.00 0.38 H new ATOM 0 HB VAL A 10 3.029 4.985 2.734 1.00 0.39 H new ATOM 0 HG11 VAL A 10 1.723 3.201 1.510 1.00 0.59 H new ATOM 0 HG12 VAL A 10 0.963 3.630 3.061 1.00 0.59 H new ATOM 0 HG13 VAL A 10 0.296 4.263 1.538 1.00 0.59 H new ATOM 0 HG21 VAL A 10 3.038 4.789 0.262 1.00 0.64 H new ATOM 0 HG22 VAL A 10 1.659 5.911 0.182 1.00 0.64 H new ATOM 0 HG23 VAL A 10 3.227 6.472 0.809 1.00 0.64 H new ATOM 147 N ARG A 11 1.816 8.215 4.405 1.00 0.46 N ATOM 148 CA ARG A 11 2.539 9.384 4.865 1.00 0.54 C ATOM 149 C ARG A 11 3.636 8.889 5.813 1.00 0.61 C ATOM 150 O ARG A 11 3.431 7.945 6.581 1.00 0.78 O ATOM 151 CB ARG A 11 1.578 10.410 5.495 1.00 0.84 C ATOM 152 CG ARG A 11 0.897 9.860 6.750 1.00 1.45 C ATOM 153 CD ARG A 11 -0.131 10.798 7.384 1.00 1.84 C ATOM 154 NE ARG A 11 -0.489 10.297 8.724 1.00 3.07 N ATOM 155 CZ ARG A 11 -1.667 9.803 9.142 1.00 4.04 C ATOM 156 NH1 ARG A 11 -2.669 9.597 8.285 1.00 4.38 N ATOM 157 NH2 ARG A 11 -1.846 9.492 10.430 1.00 5.35 N ATOM 0 H ARG A 11 0.896 8.088 4.826 1.00 0.46 H new ATOM 0 HA ARG A 11 3.010 9.921 4.042 1.00 0.54 H new ATOM 0 HB2 ARG A 11 2.129 11.315 5.749 1.00 0.84 H new ATOM 0 HB3 ARG A 11 0.820 10.693 4.765 1.00 0.84 H new ATOM 0 HG2 ARG A 11 0.404 8.921 6.497 1.00 1.45 H new ATOM 0 HG3 ARG A 11 1.663 9.629 7.490 1.00 1.45 H new ATOM 0 HD2 ARG A 11 0.277 11.806 7.457 1.00 1.84 H new ATOM 0 HD3 ARG A 11 -1.020 10.859 6.757 1.00 1.84 H new ATOM 0 HE ARG A 11 0.253 10.330 9.423 1.00 3.07 H new ATOM 0 HH11 ARG A 11 -2.547 9.815 7.296 1.00 4.38 H new ATOM 0 HH12 ARG A 11 -3.557 9.221 8.619 1.00 4.38 H new ATOM 0 HH21 ARG A 11 -1.088 9.630 11.098 1.00 5.35 H new ATOM 0 HH22 ARG A 11 -2.741 9.117 10.745 1.00 5.35 H new ATOM 171 N GLY A 12 4.832 9.461 5.660 1.00 0.64 N ATOM 172 CA GLY A 12 6.055 8.968 6.271 1.00 0.71 C ATOM 173 C GLY A 12 7.031 8.480 5.201 1.00 0.75 C ATOM 174 O GLY A 12 8.225 8.756 5.296 1.00 0.81 O ATOM 0 H GLY A 12 4.974 10.298 5.094 1.00 0.64 H new ATOM 0 HA2 GLY A 12 6.518 9.759 6.860 1.00 0.71 H new ATOM 0 HA3 GLY A 12 5.823 8.154 6.958 1.00 0.71 H new ATOM 178 N MET A 13 6.549 7.758 4.182 1.00 0.86 N ATOM 179 CA MET A 13 7.444 7.174 3.192 1.00 1.03 C ATOM 180 C MET A 13 7.954 8.285 2.266 1.00 1.06 C ATOM 181 O MET A 13 7.167 9.126 1.823 1.00 1.28 O ATOM 182 CB MET A 13 6.744 6.003 2.498 1.00 1.45 C ATOM 183 CG MET A 13 5.902 6.405 1.296 1.00 0.84 C ATOM 184 SD MET A 13 6.786 6.474 -0.277 1.00 1.25 S ATOM 185 CE MET A 13 5.613 7.526 -1.141 1.00 1.31 C ATOM 0 H MET A 13 5.559 7.569 4.027 1.00 0.86 H new ATOM 0 HA MET A 13 8.334 6.740 3.647 1.00 1.03 H new ATOM 0 HB2 MET A 13 7.497 5.283 2.176 1.00 1.45 H new ATOM 0 HB3 MET A 13 6.106 5.495 3.221 1.00 1.45 H new ATOM 0 HG2 MET A 13 5.076 5.700 1.199 1.00 0.84 H new ATOM 0 HG3 MET A 13 5.464 7.384 1.491 1.00 0.84 H new ATOM 0 HE1 MET A 13 5.767 7.436 -2.216 1.00 1.31 H new ATOM 0 HE2 MET A 13 4.597 7.219 -0.893 1.00 1.31 H new ATOM 0 HE3 MET A 13 5.763 8.563 -0.839 1.00 1.31 H new ATOM 195 N THR A 14 9.275 8.339 2.057 1.00 1.06 N ATOM 196 CA THR A 14 9.958 9.572 1.674 1.00 1.22 C ATOM 197 C THR A 14 10.758 9.462 0.369 1.00 1.04 C ATOM 198 O THR A 14 10.730 10.401 -0.426 1.00 1.33 O ATOM 199 CB THR A 14 10.785 10.082 2.871 1.00 1.70 C ATOM 200 OG1 THR A 14 11.367 11.332 2.575 1.00 2.14 O ATOM 201 CG2 THR A 14 11.886 9.119 3.331 1.00 2.26 C ATOM 0 H THR A 14 9.893 7.533 2.149 1.00 1.06 H new ATOM 0 HA THR A 14 9.203 10.320 1.433 1.00 1.22 H new ATOM 0 HB THR A 14 10.074 10.169 3.692 1.00 1.70 H new ATOM 0 HG1 THR A 14 11.887 11.642 3.346 1.00 2.14 H new ATOM 0 HG21 THR A 14 12.420 9.554 4.176 1.00 2.26 H new ATOM 0 HG22 THR A 14 11.438 8.172 3.633 1.00 2.26 H new ATOM 0 HG23 THR A 14 12.584 8.946 2.512 1.00 2.26 H new ATOM 209 N CYS A 15 11.481 8.359 0.129 1.00 0.84 N ATOM 210 CA CYS A 15 12.459 8.289 -0.956 1.00 0.72 C ATOM 211 C CYS A 15 12.403 6.949 -1.686 1.00 0.56 C ATOM 212 O CYS A 15 11.695 6.031 -1.273 1.00 0.51 O ATOM 213 CB CYS A 15 13.858 8.549 -0.383 1.00 0.78 C ATOM 214 SG CYS A 15 14.556 7.180 0.577 1.00 1.19 S ATOM 0 H CYS A 15 11.403 7.502 0.676 1.00 0.84 H new ATOM 0 HA CYS A 15 12.220 9.054 -1.695 1.00 0.72 H new ATOM 0 HB2 CYS A 15 14.535 8.779 -1.206 1.00 0.78 H new ATOM 0 HB3 CYS A 15 13.816 9.434 0.252 1.00 0.78 H new ATOM 219 N ALA A 16 13.199 6.833 -2.754 1.00 0.60 N ATOM 220 CA ALA A 16 13.334 5.635 -3.576 1.00 0.62 C ATOM 221 C ALA A 16 13.491 4.369 -2.732 1.00 0.55 C ATOM 222 O ALA A 16 12.909 3.330 -3.049 1.00 0.62 O ATOM 223 CB ALA A 16 14.526 5.802 -4.522 1.00 0.81 C ATOM 0 H ALA A 16 13.787 7.601 -3.078 1.00 0.60 H new ATOM 0 HA ALA A 16 12.417 5.516 -4.154 1.00 0.62 H new ATOM 0 HB1 ALA A 16 14.630 4.909 -5.138 1.00 0.81 H new ATOM 0 HB2 ALA A 16 14.363 6.668 -5.164 1.00 0.81 H new ATOM 0 HB3 ALA A 16 15.435 5.949 -3.939 1.00 0.81 H new ATOM 229 N SER A 17 14.266 4.451 -1.643 1.00 0.54 N ATOM 230 CA SER A 17 14.387 3.340 -0.715 1.00 0.60 C ATOM 231 C SER A 17 13.007 2.914 -0.229 1.00 0.58 C ATOM 232 O SER A 17 12.698 1.725 -0.140 1.00 0.74 O ATOM 233 CB SER A 17 15.279 3.684 0.487 1.00 0.78 C ATOM 234 OG SER A 17 15.449 2.530 1.303 1.00 2.48 O ATOM 0 H SER A 17 14.813 5.275 -1.391 1.00 0.54 H new ATOM 0 HA SER A 17 14.860 2.518 -1.252 1.00 0.60 H new ATOM 0 HB2 SER A 17 16.248 4.043 0.142 1.00 0.78 H new ATOM 0 HB3 SER A 17 14.829 4.489 1.068 1.00 0.78 H new ATOM 0 HG SER A 17 16.020 2.752 2.068 1.00 2.48 H new ATOM 240 N CYS A 18 12.200 3.865 0.230 1.00 0.45 N ATOM 241 CA CYS A 18 10.884 3.555 0.744 1.00 0.45 C ATOM 242 C CYS A 18 9.995 3.041 -0.381 1.00 0.46 C ATOM 243 O CYS A 18 9.276 2.067 -0.174 1.00 0.58 O ATOM 244 CB CYS A 18 10.305 4.766 1.463 1.00 0.49 C ATOM 245 SG CYS A 18 11.367 5.405 2.783 1.00 0.71 S ATOM 0 H CYS A 18 12.441 4.856 0.254 1.00 0.45 H new ATOM 0 HA CYS A 18 10.948 2.756 1.483 1.00 0.45 H new ATOM 0 HB2 CYS A 18 10.127 5.558 0.736 1.00 0.49 H new ATOM 0 HB3 CYS A 18 9.337 4.498 1.885 1.00 0.49 H new ATOM 250 N VAL A 19 10.092 3.646 -1.571 1.00 0.42 N ATOM 251 CA VAL A 19 9.323 3.215 -2.730 1.00 0.47 C ATOM 252 C VAL A 19 9.536 1.721 -2.930 1.00 0.53 C ATOM 253 O VAL A 19 8.600 0.924 -2.844 1.00 0.56 O ATOM 254 CB VAL A 19 9.709 4.019 -3.989 1.00 0.51 C ATOM 255 CG1 VAL A 19 9.026 3.515 -5.268 1.00 0.63 C ATOM 256 CG2 VAL A 19 9.378 5.497 -3.796 1.00 0.50 C ATOM 0 H VAL A 19 10.703 4.442 -1.751 1.00 0.42 H new ATOM 0 HA VAL A 19 8.264 3.405 -2.555 1.00 0.47 H new ATOM 0 HB VAL A 19 10.782 3.879 -4.118 1.00 0.51 H new ATOM 0 HG11 VAL A 19 9.342 4.125 -6.114 1.00 0.63 H new ATOM 0 HG12 VAL A 19 9.306 2.476 -5.445 1.00 0.63 H new ATOM 0 HG13 VAL A 19 7.944 3.585 -5.155 1.00 0.63 H new ATOM 0 HG21 VAL A 19 9.656 6.052 -4.692 1.00 0.50 H new ATOM 0 HG22 VAL A 19 8.309 5.610 -3.616 1.00 0.50 H new ATOM 0 HG23 VAL A 19 9.933 5.886 -2.942 1.00 0.50 H new ATOM 266 N HIS A 20 10.788 1.334 -3.176 1.00 0.57 N ATOM 267 CA HIS A 20 11.059 -0.028 -3.555 1.00 0.68 C ATOM 268 C HIS A 20 10.835 -1.007 -2.394 1.00 0.71 C ATOM 269 O HIS A 20 10.406 -2.136 -2.632 1.00 0.78 O ATOM 270 CB HIS A 20 12.380 -0.098 -4.329 1.00 0.78 C ATOM 271 CG HIS A 20 13.686 0.267 -3.662 1.00 0.83 C ATOM 272 ND1 HIS A 20 14.815 0.675 -4.338 1.00 0.96 N ATOM 273 CD2 HIS A 20 14.053 0.056 -2.364 1.00 0.82 C ATOM 274 CE1 HIS A 20 15.831 0.709 -3.462 1.00 1.02 C ATOM 275 NE2 HIS A 20 15.419 0.329 -2.242 1.00 0.93 N ATOM 0 H HIS A 20 11.607 1.940 -3.118 1.00 0.57 H new ATOM 0 HA HIS A 20 10.324 -0.394 -4.272 1.00 0.68 H new ATOM 0 HB2 HIS A 20 12.482 -1.119 -4.697 1.00 0.78 H new ATOM 0 HB3 HIS A 20 12.275 0.546 -5.202 1.00 0.78 H new ATOM 0 HD2 HIS A 20 13.399 -0.267 -1.567 1.00 0.82 H new ATOM 0 HE1 HIS A 20 16.842 1.002 -3.705 1.00 1.02 H new ATOM 0 HE2 HIS A 20 15.987 0.255 -1.398 1.00 0.93 H new ATOM 283 N LYS A 21 11.042 -0.579 -1.137 1.00 0.70 N ATOM 284 CA LYS A 21 10.702 -1.412 0.011 1.00 0.79 C ATOM 285 C LYS A 21 9.197 -1.665 0.045 1.00 0.69 C ATOM 286 O LYS A 21 8.785 -2.811 0.223 1.00 0.72 O ATOM 287 CB LYS A 21 11.193 -0.815 1.341 1.00 0.96 C ATOM 288 CG LYS A 21 12.705 -1.017 1.515 1.00 1.76 C ATOM 289 CD LYS A 21 13.226 -0.679 2.925 1.00 2.23 C ATOM 290 CE LYS A 21 12.832 0.707 3.457 1.00 2.64 C ATOM 291 NZ LYS A 21 13.193 1.793 2.527 1.00 4.15 N ATOM 0 H LYS A 21 11.439 0.330 -0.899 1.00 0.70 H new ATOM 0 HA LYS A 21 11.222 -2.363 -0.109 1.00 0.79 H new ATOM 0 HB2 LYS A 21 10.959 0.249 1.373 1.00 0.96 H new ATOM 0 HB3 LYS A 21 10.663 -1.283 2.171 1.00 0.96 H new ATOM 0 HG2 LYS A 21 12.951 -2.054 1.287 1.00 1.76 H new ATOM 0 HG3 LYS A 21 13.230 -0.398 0.787 1.00 1.76 H new ATOM 0 HD2 LYS A 21 12.859 -1.434 3.620 1.00 2.23 H new ATOM 0 HD3 LYS A 21 14.314 -0.752 2.919 1.00 2.23 H new ATOM 0 HE2 LYS A 21 11.757 0.731 3.639 1.00 2.64 H new ATOM 0 HE3 LYS A 21 13.321 0.877 4.416 1.00 2.64 H new ATOM 0 HZ1 LYS A 21 12.891 2.705 2.925 1.00 4.15 H new ATOM 0 HZ2 LYS A 21 14.223 1.801 2.386 1.00 4.15 H new ATOM 0 HZ3 LYS A 21 12.720 1.640 1.614 1.00 4.15 H new ATOM 305 N ILE A 22 8.379 -0.620 -0.125 1.00 0.60 N ATOM 306 CA ILE A 22 6.934 -0.788 -0.174 1.00 0.55 C ATOM 307 C ILE A 22 6.590 -1.771 -1.284 1.00 0.54 C ATOM 308 O ILE A 22 6.021 -2.827 -1.020 1.00 0.58 O ATOM 309 CB ILE A 22 6.205 0.557 -0.369 1.00 0.61 C ATOM 310 CG1 ILE A 22 6.307 1.374 0.921 1.00 0.49 C ATOM 311 CG2 ILE A 22 4.722 0.357 -0.734 1.00 0.99 C ATOM 312 CD1 ILE A 22 5.912 2.843 0.768 1.00 0.84 C ATOM 0 H ILE A 22 8.697 0.343 -0.230 1.00 0.60 H new ATOM 0 HA ILE A 22 6.592 -1.185 0.782 1.00 0.55 H new ATOM 0 HB ILE A 22 6.682 1.085 -1.195 1.00 0.61 H new ATOM 0 HG12 ILE A 22 5.671 0.916 1.679 1.00 0.49 H new ATOM 0 HG13 ILE A 22 7.331 1.322 1.290 1.00 0.49 H new ATOM 0 HG21 ILE A 22 4.245 1.328 -0.863 1.00 0.99 H new ATOM 0 HG22 ILE A 22 4.649 -0.209 -1.663 1.00 0.99 H new ATOM 0 HG23 ILE A 22 4.221 -0.190 0.065 1.00 0.99 H new ATOM 0 HD11 ILE A 22 6.013 3.349 1.728 1.00 0.84 H new ATOM 0 HD12 ILE A 22 6.563 3.321 0.036 1.00 0.84 H new ATOM 0 HD13 ILE A 22 4.878 2.908 0.430 1.00 0.84 H new ATOM 324 N GLU A 23 6.926 -1.422 -2.527 1.00 0.54 N ATOM 325 CA GLU A 23 6.485 -2.191 -3.677 1.00 0.59 C ATOM 326 C GLU A 23 6.926 -3.644 -3.540 1.00 0.63 C ATOM 327 O GLU A 23 6.089 -4.545 -3.593 1.00 0.67 O ATOM 328 CB GLU A 23 6.969 -1.526 -4.969 1.00 0.69 C ATOM 329 CG GLU A 23 6.301 -0.150 -5.095 1.00 1.24 C ATOM 330 CD GLU A 23 6.708 0.605 -6.352 1.00 1.54 C ATOM 331 OE1 GLU A 23 7.815 0.331 -6.858 1.00 2.07 O ATOM 332 OE2 GLU A 23 5.890 1.458 -6.770 1.00 2.45 O ATOM 0 H GLU A 23 7.502 -0.612 -2.756 1.00 0.54 H new ATOM 0 HA GLU A 23 5.396 -2.204 -3.723 1.00 0.59 H new ATOM 0 HB2 GLU A 23 8.054 -1.420 -4.956 1.00 0.69 H new ATOM 0 HB3 GLU A 23 6.720 -2.147 -5.830 1.00 0.69 H new ATOM 0 HG2 GLU A 23 5.219 -0.278 -5.091 1.00 1.24 H new ATOM 0 HG3 GLU A 23 6.554 0.450 -4.221 1.00 1.24 H new ATOM 339 N SER A 24 8.221 -3.870 -3.303 1.00 0.66 N ATOM 340 CA SER A 24 8.755 -5.212 -3.129 1.00 0.71 C ATOM 341 C SER A 24 8.052 -5.931 -1.974 1.00 0.72 C ATOM 342 O SER A 24 7.541 -7.036 -2.142 1.00 0.84 O ATOM 343 CB SER A 24 10.272 -5.141 -2.914 1.00 0.79 C ATOM 344 OG SER A 24 10.837 -6.436 -2.865 1.00 1.51 O ATOM 0 H SER A 24 8.919 -3.130 -3.228 1.00 0.66 H new ATOM 0 HA SER A 24 8.565 -5.793 -4.031 1.00 0.71 H new ATOM 0 HB2 SER A 24 10.731 -4.570 -3.721 1.00 0.79 H new ATOM 0 HB3 SER A 24 10.487 -4.611 -1.986 1.00 0.79 H new ATOM 0 HG SER A 24 11.805 -6.366 -2.729 1.00 1.51 H new ATOM 350 N SER A 25 8.049 -5.333 -0.778 1.00 0.68 N ATOM 351 CA SER A 25 7.615 -6.057 0.404 1.00 0.80 C ATOM 352 C SER A 25 6.105 -6.308 0.415 1.00 0.62 C ATOM 353 O SER A 25 5.663 -7.329 0.944 1.00 0.68 O ATOM 354 CB SER A 25 8.120 -5.396 1.688 1.00 1.09 C ATOM 355 OG SER A 25 8.176 -6.370 2.721 1.00 1.62 O ATOM 0 H SER A 25 8.337 -4.369 -0.612 1.00 0.68 H new ATOM 0 HA SER A 25 8.075 -7.044 0.362 1.00 0.80 H new ATOM 0 HB2 SER A 25 9.107 -4.963 1.525 1.00 1.09 H new ATOM 0 HB3 SER A 25 7.458 -4.580 1.976 1.00 1.09 H new ATOM 0 HG SER A 25 8.500 -5.953 3.546 1.00 1.62 H new ATOM 361 N LEU A 26 5.305 -5.401 -0.140 1.00 0.54 N ATOM 362 CA LEU A 26 3.882 -5.650 -0.310 1.00 0.56 C ATOM 363 C LEU A 26 3.670 -6.702 -1.402 1.00 0.56 C ATOM 364 O LEU A 26 2.979 -7.693 -1.156 1.00 0.65 O ATOM 365 CB LEU A 26 3.126 -4.348 -0.598 1.00 0.66 C ATOM 366 CG LEU A 26 2.797 -3.485 0.637 1.00 0.92 C ATOM 367 CD1 LEU A 26 1.575 -4.005 1.399 1.00 1.92 C ATOM 368 CD2 LEU A 26 3.957 -3.333 1.629 1.00 1.86 C ATOM 0 H LEU A 26 5.619 -4.491 -0.478 1.00 0.54 H new ATOM 0 HA LEU A 26 3.471 -6.045 0.619 1.00 0.56 H new ATOM 0 HB2 LEU A 26 3.718 -3.750 -1.290 1.00 0.66 H new ATOM 0 HB3 LEU A 26 2.194 -4.594 -1.106 1.00 0.66 H new ATOM 0 HG LEU A 26 2.586 -2.502 0.215 1.00 0.92 H new ATOM 0 HD11 LEU A 26 1.383 -3.364 2.260 1.00 1.92 H new ATOM 0 HD12 LEU A 26 0.706 -3.998 0.741 1.00 1.92 H new ATOM 0 HD13 LEU A 26 1.765 -5.023 1.739 1.00 1.92 H new ATOM 0 HD21 LEU A 26 3.640 -2.712 2.467 1.00 1.86 H new ATOM 0 HD22 LEU A 26 4.252 -4.316 1.997 1.00 1.86 H new ATOM 0 HD23 LEU A 26 4.804 -2.863 1.129 1.00 1.86 H new ATOM 380 N THR A 27 4.264 -6.505 -2.590 1.00 0.66 N ATOM 381 CA THR A 27 4.108 -7.393 -3.746 1.00 0.92 C ATOM 382 C THR A 27 4.824 -8.728 -3.513 1.00 1.21 C ATOM 383 O THR A 27 5.832 -9.039 -4.143 1.00 1.94 O ATOM 384 CB THR A 27 4.549 -6.700 -5.048 1.00 1.35 C ATOM 385 OG1 THR A 27 4.008 -5.396 -5.105 1.00 2.83 O ATOM 386 CG2 THR A 27 4.047 -7.452 -6.284 1.00 1.34 C ATOM 0 H THR A 27 4.876 -5.710 -2.774 1.00 0.66 H new ATOM 0 HA THR A 27 3.048 -7.621 -3.863 1.00 0.92 H new ATOM 0 HB THR A 27 5.639 -6.680 -5.046 1.00 1.35 H new ATOM 0 HG1 THR A 27 4.574 -4.784 -4.589 1.00 2.83 H new ATOM 0 HG21 THR A 27 4.377 -6.934 -7.184 1.00 1.34 H new ATOM 0 HG22 THR A 27 4.448 -8.466 -6.281 1.00 1.34 H new ATOM 0 HG23 THR A 27 2.958 -7.493 -6.268 1.00 1.34 H new ATOM 394 N LYS A 28 4.256 -9.520 -2.606 1.00 1.20 N ATOM 395 CA LYS A 28 4.673 -10.850 -2.197 1.00 1.46 C ATOM 396 C LYS A 28 3.661 -11.438 -1.207 1.00 1.08 C ATOM 397 O LYS A 28 3.442 -12.648 -1.222 1.00 1.17 O ATOM 398 CB LYS A 28 6.108 -10.880 -1.634 1.00 2.06 C ATOM 399 CG LYS A 28 6.333 -9.940 -0.442 1.00 2.08 C ATOM 400 CD LYS A 28 7.771 -10.048 0.098 1.00 2.99 C ATOM 401 CE LYS A 28 7.846 -10.071 1.637 1.00 3.31 C ATOM 402 NZ LYS A 28 7.298 -8.860 2.286 1.00 3.77 N ATOM 0 H LYS A 28 3.424 -9.218 -2.099 1.00 1.20 H new ATOM 0 HA LYS A 28 4.693 -11.477 -3.089 1.00 1.46 H new ATOM 0 HB2 LYS A 28 6.346 -11.899 -1.329 1.00 2.06 H new ATOM 0 HB3 LYS A 28 6.804 -10.614 -2.429 1.00 2.06 H new ATOM 0 HG2 LYS A 28 6.133 -8.912 -0.745 1.00 2.08 H new ATOM 0 HG3 LYS A 28 5.626 -10.181 0.352 1.00 2.08 H new ATOM 0 HD2 LYS A 28 8.232 -10.955 -0.295 1.00 2.99 H new ATOM 0 HD3 LYS A 28 8.355 -9.207 -0.274 1.00 2.99 H new ATOM 0 HE2 LYS A 28 7.305 -10.943 2.004 1.00 3.31 H new ATOM 0 HE3 LYS A 28 8.887 -10.192 1.938 1.00 3.31 H new ATOM 0 HZ1 LYS A 28 7.100 -9.062 3.287 1.00 3.77 H new ATOM 0 HZ2 LYS A 28 7.990 -8.087 2.219 1.00 3.77 H new ATOM 0 HZ3 LYS A 28 6.418 -8.579 1.809 1.00 3.77 H new ATOM 416 N HIS A 29 3.048 -10.623 -0.330 1.00 0.92 N ATOM 417 CA HIS A 29 2.060 -11.167 0.590 1.00 1.13 C ATOM 418 C HIS A 29 0.847 -11.675 -0.192 1.00 0.97 C ATOM 419 O HIS A 29 0.366 -11.007 -1.108 1.00 1.25 O ATOM 420 CB HIS A 29 1.690 -10.184 1.713 1.00 1.56 C ATOM 421 CG HIS A 29 0.669 -9.117 1.397 1.00 0.78 C ATOM 422 ND1 HIS A 29 -0.667 -9.331 1.128 1.00 1.32 N ATOM 423 CD2 HIS A 29 0.818 -7.778 1.644 1.00 0.67 C ATOM 424 CE1 HIS A 29 -1.288 -8.142 1.166 1.00 1.89 C ATOM 425 NE2 HIS A 29 -0.429 -7.166 1.495 1.00 1.50 N ATOM 0 H HIS A 29 3.217 -9.621 -0.246 1.00 0.92 H new ATOM 0 HA HIS A 29 2.503 -12.018 1.106 1.00 1.13 H new ATOM 0 HB2 HIS A 29 1.320 -10.763 2.559 1.00 1.56 H new ATOM 0 HB3 HIS A 29 2.604 -9.689 2.041 1.00 1.56 H new ATOM 0 HD1 HIS A 29 -1.105 -10.232 0.935 1.00 1.32 H new ATOM 0 HD2 HIS A 29 1.740 -7.281 1.908 1.00 0.67 H new ATOM 0 HE1 HIS A 29 -2.337 -7.991 0.960 1.00 1.89 H new ATOM 433 N ARG A 30 0.343 -12.855 0.181 1.00 1.15 N ATOM 434 CA ARG A 30 -0.849 -13.422 -0.428 1.00 1.42 C ATOM 435 C ARG A 30 -1.978 -12.390 -0.410 1.00 1.66 C ATOM 436 O ARG A 30 -2.145 -11.673 0.575 1.00 3.00 O ATOM 437 CB ARG A 30 -1.283 -14.687 0.324 1.00 1.84 C ATOM 438 CG ARG A 30 -0.286 -15.850 0.225 1.00 2.72 C ATOM 439 CD ARG A 30 -0.139 -16.362 -1.216 1.00 2.85 C ATOM 440 NE ARG A 30 0.554 -17.660 -1.271 1.00 4.00 N ATOM 441 CZ ARG A 30 -0.016 -18.857 -1.047 1.00 4.66 C ATOM 442 NH1 ARG A 30 -1.298 -18.924 -0.672 1.00 4.34 N ATOM 443 NH2 ARG A 30 0.698 -19.979 -1.195 1.00 6.10 N ATOM 0 H ARG A 30 0.753 -13.437 0.911 1.00 1.15 H new ATOM 0 HA ARG A 30 -0.624 -13.691 -1.460 1.00 1.42 H new ATOM 0 HB2 ARG A 30 -1.431 -14.439 1.375 1.00 1.84 H new ATOM 0 HB3 ARG A 30 -2.247 -15.015 -0.065 1.00 1.84 H new ATOM 0 HG2 ARG A 30 0.687 -15.526 0.595 1.00 2.72 H new ATOM 0 HG3 ARG A 30 -0.616 -16.666 0.868 1.00 2.72 H new ATOM 0 HD2 ARG A 30 -1.126 -16.458 -1.669 1.00 2.85 H new ATOM 0 HD3 ARG A 30 0.413 -15.631 -1.806 1.00 2.85 H new ATOM 0 HE ARG A 30 1.548 -17.650 -1.498 1.00 4.00 H new ATOM 0 HH11 ARG A 30 -1.841 -18.068 -0.557 1.00 4.34 H new ATOM 0 HH12 ARG A 30 -1.733 -19.831 -0.501 1.00 4.34 H new ATOM 0 HH21 ARG A 30 1.677 -19.927 -1.478 1.00 6.10 H new ATOM 0 HH22 ARG A 30 0.264 -20.886 -1.025 1.00 6.10 H new ATOM 457 N GLY A 31 -2.730 -12.306 -1.505 1.00 0.83 N ATOM 458 CA GLY A 31 -3.911 -11.469 -1.599 1.00 0.98 C ATOM 459 C GLY A 31 -3.641 -10.145 -2.310 1.00 0.81 C ATOM 460 O GLY A 31 -4.525 -9.641 -3.002 1.00 0.79 O ATOM 0 H GLY A 31 -2.529 -12.826 -2.359 1.00 0.83 H new ATOM 0 HA2 GLY A 31 -4.693 -12.010 -2.132 1.00 0.98 H new ATOM 0 HA3 GLY A 31 -4.289 -11.268 -0.597 1.00 0.98 H new ATOM 464 N ILE A 32 -2.423 -9.592 -2.195 1.00 0.86 N ATOM 465 CA ILE A 32 -2.034 -8.485 -3.058 1.00 0.78 C ATOM 466 C ILE A 32 -1.668 -9.070 -4.416 1.00 0.92 C ATOM 467 O ILE A 32 -0.997 -10.099 -4.489 1.00 1.17 O ATOM 468 CB ILE A 32 -0.904 -7.635 -2.430 1.00 0.76 C ATOM 469 CG1 ILE A 32 -1.501 -6.282 -2.022 1.00 1.04 C ATOM 470 CG2 ILE A 32 0.292 -7.387 -3.365 1.00 0.94 C ATOM 471 CD1 ILE A 32 -0.544 -5.485 -1.137 1.00 2.42 C ATOM 0 H ILE A 32 -1.712 -9.890 -1.527 1.00 0.86 H new ATOM 0 HA ILE A 32 -2.861 -7.786 -3.184 1.00 0.78 H new ATOM 0 HB ILE A 32 -0.515 -8.196 -1.580 1.00 0.76 H new ATOM 0 HG12 ILE A 32 -1.737 -5.704 -2.916 1.00 1.04 H new ATOM 0 HG13 ILE A 32 -2.439 -6.444 -1.490 1.00 1.04 H new ATOM 0 HG21 ILE A 32 1.039 -6.784 -2.848 1.00 0.94 H new ATOM 0 HG22 ILE A 32 0.733 -8.341 -3.653 1.00 0.94 H new ATOM 0 HG23 ILE A 32 -0.047 -6.860 -4.257 1.00 0.94 H new ATOM 0 HD11 ILE A 32 -1.003 -4.533 -0.869 1.00 2.42 H new ATOM 0 HD12 ILE A 32 -0.329 -6.052 -0.231 1.00 2.42 H new ATOM 0 HD13 ILE A 32 0.384 -5.301 -1.678 1.00 2.42 H new ATOM 483 N LEU A 33 -2.123 -8.415 -5.486 1.00 0.86 N ATOM 484 CA LEU A 33 -1.796 -8.787 -6.853 1.00 1.01 C ATOM 485 C LEU A 33 -0.746 -7.833 -7.429 1.00 1.02 C ATOM 486 O LEU A 33 0.111 -8.270 -8.192 1.00 1.12 O ATOM 487 CB LEU A 33 -3.077 -8.919 -7.695 1.00 1.13 C ATOM 488 CG LEU A 33 -3.790 -7.594 -8.014 1.00 1.43 C ATOM 489 CD1 LEU A 33 -3.455 -7.126 -9.434 1.00 2.45 C ATOM 490 CD2 LEU A 33 -5.308 -7.750 -7.867 1.00 2.19 C ATOM 0 H LEU A 33 -2.736 -7.602 -5.421 1.00 0.86 H new ATOM 0 HA LEU A 33 -1.334 -9.774 -6.874 1.00 1.01 H new ATOM 0 HB2 LEU A 33 -2.826 -9.413 -8.634 1.00 1.13 H new ATOM 0 HB3 LEU A 33 -3.774 -9.570 -7.168 1.00 1.13 H new ATOM 0 HG LEU A 33 -3.439 -6.845 -7.304 1.00 1.43 H new ATOM 0 HD11 LEU A 33 -3.970 -6.187 -9.639 1.00 2.45 H new ATOM 0 HD12 LEU A 33 -2.379 -6.977 -9.524 1.00 2.45 H new ATOM 0 HD13 LEU A 33 -3.778 -7.881 -10.151 1.00 2.45 H new ATOM 0 HD21 LEU A 33 -5.795 -6.802 -8.097 1.00 2.19 H new ATOM 0 HD22 LEU A 33 -5.663 -8.517 -8.555 1.00 2.19 H new ATOM 0 HD23 LEU A 33 -5.546 -8.042 -6.844 1.00 2.19 H new ATOM 502 N TYR A 34 -0.790 -6.540 -7.079 1.00 0.92 N ATOM 503 CA TYR A 34 0.203 -5.573 -7.527 1.00 0.93 C ATOM 504 C TYR A 34 0.205 -4.403 -6.546 1.00 0.81 C ATOM 505 O TYR A 34 -0.768 -4.229 -5.810 1.00 1.05 O ATOM 506 CB TYR A 34 -0.150 -5.129 -8.955 1.00 1.03 C ATOM 507 CG TYR A 34 0.728 -4.048 -9.554 1.00 1.02 C ATOM 508 CD1 TYR A 34 1.973 -4.385 -10.116 1.00 2.42 C ATOM 509 CD2 TYR A 34 0.277 -2.715 -9.602 1.00 1.98 C ATOM 510 CE1 TYR A 34 2.747 -3.398 -10.749 1.00 2.39 C ATOM 511 CE2 TYR A 34 1.042 -1.733 -10.254 1.00 2.17 C ATOM 512 CZ TYR A 34 2.285 -2.074 -10.815 1.00 1.30 C ATOM 513 OH TYR A 34 3.023 -1.135 -11.473 1.00 1.57 O ATOM 0 H TYR A 34 -1.514 -6.143 -6.480 1.00 0.92 H new ATOM 0 HA TYR A 34 1.204 -6.004 -7.550 1.00 0.93 H new ATOM 0 HB2 TYR A 34 -0.110 -6.003 -9.606 1.00 1.03 H new ATOM 0 HB3 TYR A 34 -1.181 -4.775 -8.959 1.00 1.03 H new ATOM 0 HD1 TYR A 34 2.333 -5.402 -10.061 1.00 2.42 H new ATOM 0 HD2 TYR A 34 -0.660 -2.446 -9.136 1.00 1.98 H new ATOM 0 HE1 TYR A 34 3.700 -3.659 -11.186 1.00 2.39 H new ATOM 0 HE2 TYR A 34 0.676 -0.719 -10.324 1.00 2.17 H new ATOM 0 HH TYR A 34 2.566 -0.269 -11.428 1.00 1.57 H new ATOM 523 N CYS A 35 1.252 -3.575 -6.573 1.00 0.56 N ATOM 524 CA CYS A 35 1.215 -2.236 -6.003 1.00 0.46 C ATOM 525 C CYS A 35 1.957 -1.317 -6.950 1.00 0.57 C ATOM 526 O CYS A 35 2.786 -1.786 -7.728 1.00 0.89 O ATOM 527 CB CYS A 35 1.938 -2.120 -4.654 1.00 0.66 C ATOM 528 SG CYS A 35 1.417 -3.371 -3.481 1.00 2.63 S ATOM 0 H CYS A 35 2.149 -3.819 -6.993 1.00 0.56 H new ATOM 0 HA CYS A 35 0.165 -1.984 -5.856 1.00 0.46 H new ATOM 0 HB2 CYS A 35 3.013 -2.203 -4.814 1.00 0.66 H new ATOM 0 HB3 CYS A 35 1.754 -1.132 -4.231 1.00 0.66 H new ATOM 0 HG CYS A 35 0.340 -3.954 -3.918 1.00 2.63 H new ATOM 534 N SER A 36 1.759 -0.010 -6.797 1.00 0.49 N ATOM 535 CA SER A 36 2.864 0.912 -6.990 1.00 0.78 C ATOM 536 C SER A 36 2.675 2.107 -6.063 1.00 0.56 C ATOM 537 O SER A 36 1.532 2.489 -5.789 1.00 0.67 O ATOM 538 CB SER A 36 3.021 1.314 -8.459 1.00 1.35 C ATOM 539 OG SER A 36 4.121 2.188 -8.624 1.00 2.35 O ATOM 0 H SER A 36 0.869 0.421 -6.547 1.00 0.49 H new ATOM 0 HA SER A 36 3.801 0.419 -6.729 1.00 0.78 H new ATOM 0 HB2 SER A 36 3.163 0.424 -9.072 1.00 1.35 H new ATOM 0 HB3 SER A 36 2.109 1.799 -8.808 1.00 1.35 H new ATOM 0 HG SER A 36 4.921 1.786 -8.224 1.00 2.35 H new ATOM 545 N VAL A 37 3.778 2.661 -5.552 1.00 0.54 N ATOM 546 CA VAL A 37 3.782 3.854 -4.727 1.00 0.49 C ATOM 547 C VAL A 37 4.498 5.012 -5.428 1.00 0.55 C ATOM 548 O VAL A 37 5.550 4.823 -6.032 1.00 0.76 O ATOM 549 CB VAL A 37 4.363 3.505 -3.351 1.00 0.66 C ATOM 550 CG1 VAL A 37 5.860 3.236 -3.425 1.00 1.94 C ATOM 551 CG2 VAL A 37 4.158 4.617 -2.330 1.00 1.79 C ATOM 0 H VAL A 37 4.710 2.277 -5.709 1.00 0.54 H new ATOM 0 HA VAL A 37 2.763 4.209 -4.571 1.00 0.49 H new ATOM 0 HB VAL A 37 3.825 2.611 -3.036 1.00 0.66 H new ATOM 0 HG11 VAL A 37 6.235 2.992 -2.431 1.00 1.94 H new ATOM 0 HG12 VAL A 37 6.047 2.400 -4.099 1.00 1.94 H new ATOM 0 HG13 VAL A 37 6.371 4.123 -3.798 1.00 1.94 H new ATOM 0 HG21 VAL A 37 4.588 4.317 -1.374 1.00 1.79 H new ATOM 0 HG22 VAL A 37 4.647 5.526 -2.679 1.00 1.79 H new ATOM 0 HG23 VAL A 37 3.091 4.804 -2.205 1.00 1.79 H new ATOM 561 N ALA A 38 3.927 6.219 -5.341 1.00 0.59 N ATOM 562 CA ALA A 38 4.491 7.432 -5.911 1.00 0.70 C ATOM 563 C ALA A 38 4.721 8.480 -4.828 1.00 0.70 C ATOM 564 O ALA A 38 3.839 8.757 -4.011 1.00 0.63 O ATOM 565 CB ALA A 38 3.578 8.005 -6.989 1.00 0.76 C ATOM 0 H ALA A 38 3.041 6.375 -4.860 1.00 0.59 H new ATOM 0 HA ALA A 38 5.447 7.170 -6.363 1.00 0.70 H new ATOM 0 HB1 ALA A 38 4.023 8.912 -7.399 1.00 0.76 H new ATOM 0 HB2 ALA A 38 3.450 7.272 -7.785 1.00 0.76 H new ATOM 0 HB3 ALA A 38 2.607 8.242 -6.555 1.00 0.76 H new ATOM 571 N LEU A 39 5.906 9.091 -4.880 1.00 0.83 N ATOM 572 CA LEU A 39 6.353 10.133 -3.966 1.00 0.91 C ATOM 573 C LEU A 39 5.472 11.376 -4.076 1.00 0.85 C ATOM 574 O LEU A 39 5.136 11.983 -3.065 1.00 0.79 O ATOM 575 CB LEU A 39 7.812 10.512 -4.269 1.00 1.43 C ATOM 576 CG LEU A 39 8.828 9.369 -4.096 1.00 0.95 C ATOM 577 CD1 LEU A 39 10.230 9.889 -4.434 1.00 2.00 C ATOM 578 CD2 LEU A 39 8.830 8.830 -2.663 1.00 1.95 C ATOM 0 H LEU A 39 6.604 8.862 -5.588 1.00 0.83 H new ATOM 0 HA LEU A 39 6.279 9.743 -2.951 1.00 0.91 H new ATOM 0 HB2 LEU A 39 7.871 10.879 -5.294 1.00 1.43 H new ATOM 0 HB3 LEU A 39 8.101 11.337 -3.617 1.00 1.43 H new ATOM 0 HG LEU A 39 8.544 8.558 -4.766 1.00 0.95 H new ATOM 0 HD11 LEU A 39 10.955 9.084 -4.314 1.00 2.00 H new ATOM 0 HD12 LEU A 39 10.248 10.243 -5.465 1.00 2.00 H new ATOM 0 HD13 LEU A 39 10.485 10.710 -3.764 1.00 2.00 H new ATOM 0 HD21 LEU A 39 9.559 8.024 -2.578 1.00 1.95 H new ATOM 0 HD22 LEU A 39 9.093 9.632 -1.973 1.00 1.95 H new ATOM 0 HD23 LEU A 39 7.839 8.450 -2.416 1.00 1.95 H new ATOM 590 N ALA A 40 5.106 11.755 -5.307 1.00 0.98 N ATOM 591 CA ALA A 40 4.512 13.046 -5.645 1.00 1.08 C ATOM 592 C ALA A 40 3.347 13.432 -4.733 1.00 0.92 C ATOM 593 O ALA A 40 3.177 14.604 -4.406 1.00 1.02 O ATOM 594 CB ALA A 40 4.062 13.025 -7.108 1.00 1.33 C ATOM 0 H ALA A 40 5.221 11.148 -6.119 1.00 0.98 H new ATOM 0 HA ALA A 40 5.278 13.807 -5.494 1.00 1.08 H new ATOM 0 HB1 ALA A 40 3.618 13.986 -7.366 1.00 1.33 H new ATOM 0 HB2 ALA A 40 4.922 12.839 -7.751 1.00 1.33 H new ATOM 0 HB3 ALA A 40 3.325 12.235 -7.251 1.00 1.33 H new ATOM 600 N THR A 41 2.533 12.448 -4.352 1.00 0.79 N ATOM 601 CA THR A 41 1.410 12.620 -3.438 1.00 0.78 C ATOM 602 C THR A 41 1.456 11.564 -2.323 1.00 0.64 C ATOM 603 O THR A 41 0.432 11.228 -1.733 1.00 0.81 O ATOM 604 CB THR A 41 0.112 12.566 -4.258 1.00 1.15 C ATOM 605 OG1 THR A 41 0.224 11.644 -5.327 1.00 2.09 O ATOM 606 CG2 THR A 41 -0.217 13.939 -4.851 1.00 2.70 C ATOM 0 H THR A 41 2.641 11.488 -4.679 1.00 0.79 H new ATOM 0 HA THR A 41 1.462 13.587 -2.938 1.00 0.78 H new ATOM 0 HB THR A 41 -0.680 12.252 -3.578 1.00 1.15 H new ATOM 0 HG1 THR A 41 -0.455 11.845 -6.005 1.00 2.09 H new ATOM 0 HG21 THR A 41 -1.140 13.875 -5.427 1.00 2.70 H new ATOM 0 HG22 THR A 41 -0.341 14.663 -4.046 1.00 2.70 H new ATOM 0 HG23 THR A 41 0.596 14.258 -5.503 1.00 2.70 H new ATOM 614 N ASN A 42 2.659 11.049 -2.050 1.00 0.58 N ATOM 615 CA ASN A 42 2.968 9.959 -1.125 1.00 0.56 C ATOM 616 C ASN A 42 1.872 8.891 -1.120 1.00 0.56 C ATOM 617 O ASN A 42 1.408 8.481 -0.056 1.00 0.63 O ATOM 618 CB ASN A 42 3.269 10.484 0.291 1.00 0.62 C ATOM 619 CG ASN A 42 4.389 11.522 0.316 1.00 0.82 C ATOM 620 OD1 ASN A 42 4.148 12.692 0.035 1.00 1.75 O ATOM 621 ND2 ASN A 42 5.616 11.143 0.669 1.00 1.36 N ATOM 0 H ASN A 42 3.499 11.409 -2.502 1.00 0.58 H new ATOM 0 HA ASN A 42 3.877 9.477 -1.485 1.00 0.56 H new ATOM 0 HB2 ASN A 42 2.364 10.924 0.710 1.00 0.62 H new ATOM 0 HB3 ASN A 42 3.543 9.646 0.933 1.00 0.62 H new ATOM 0 HD21 ASN A 42 6.370 11.829 0.708 1.00 1.36 H new ATOM 0 HD22 ASN A 42 5.802 10.167 0.900 1.00 1.36 H new ATOM 628 N LYS A 43 1.448 8.446 -2.308 1.00 0.66 N ATOM 629 CA LYS A 43 0.318 7.536 -2.446 1.00 0.65 C ATOM 630 C LYS A 43 0.823 6.151 -2.804 1.00 0.50 C ATOM 631 O LYS A 43 1.674 6.034 -3.680 1.00 0.64 O ATOM 632 CB LYS A 43 -0.711 8.041 -3.468 1.00 0.86 C ATOM 633 CG LYS A 43 -0.171 8.255 -4.892 1.00 1.95 C ATOM 634 CD LYS A 43 -1.294 8.192 -5.937 1.00 1.74 C ATOM 635 CE LYS A 43 -2.400 9.221 -5.662 1.00 1.43 C ATOM 636 NZ LYS A 43 -3.425 9.201 -6.724 1.00 1.79 N ATOM 0 H LYS A 43 1.880 8.708 -3.194 1.00 0.66 H new ATOM 0 HA LYS A 43 -0.202 7.488 -1.489 1.00 0.65 H new ATOM 0 HB2 LYS A 43 -1.535 7.328 -3.513 1.00 0.86 H new ATOM 0 HB3 LYS A 43 -1.124 8.983 -3.108 1.00 0.86 H new ATOM 0 HG2 LYS A 43 0.328 9.222 -4.951 1.00 1.95 H new ATOM 0 HG3 LYS A 43 0.578 7.496 -5.116 1.00 1.95 H new ATOM 0 HD2 LYS A 43 -0.876 8.367 -6.928 1.00 1.74 H new ATOM 0 HD3 LYS A 43 -1.725 7.191 -5.945 1.00 1.74 H new ATOM 0 HE2 LYS A 43 -2.866 9.009 -4.700 1.00 1.43 H new ATOM 0 HE3 LYS A 43 -1.964 10.218 -5.593 1.00 1.43 H new ATOM 0 HZ1 LYS A 43 -3.328 10.050 -7.316 1.00 1.79 H new ATOM 0 HZ2 LYS A 43 -3.299 8.352 -7.312 1.00 1.79 H new ATOM 0 HZ3 LYS A 43 -4.371 9.186 -6.293 1.00 1.79 H new ATOM 650 N ALA A 44 0.290 5.120 -2.150 1.00 0.39 N ATOM 651 CA ALA A 44 0.477 3.733 -2.526 1.00 0.43 C ATOM 652 C ALA A 44 -0.855 3.220 -3.046 1.00 0.49 C ATOM 653 O ALA A 44 -1.833 3.163 -2.299 1.00 0.67 O ATOM 654 CB ALA A 44 1.002 2.911 -1.351 1.00 0.58 C ATOM 0 H ALA A 44 -0.297 5.237 -1.324 1.00 0.39 H new ATOM 0 HA ALA A 44 1.231 3.641 -3.308 1.00 0.43 H new ATOM 0 HB1 ALA A 44 1.133 1.874 -1.662 1.00 0.58 H new ATOM 0 HB2 ALA A 44 1.960 3.315 -1.023 1.00 0.58 H new ATOM 0 HB3 ALA A 44 0.289 2.956 -0.528 1.00 0.58 H new ATOM 660 N HIS A 45 -0.897 2.879 -4.333 1.00 0.44 N ATOM 661 CA HIS A 45 -2.000 2.212 -4.951 1.00 0.49 C ATOM 662 C HIS A 45 -1.678 0.734 -4.783 1.00 0.46 C ATOM 663 O HIS A 45 -0.792 0.217 -5.461 1.00 0.58 O ATOM 664 CB HIS A 45 -2.002 2.687 -6.399 1.00 0.73 C ATOM 665 CG HIS A 45 -2.969 2.014 -7.319 1.00 0.83 C ATOM 666 ND1 HIS A 45 -3.031 2.303 -8.654 1.00 1.53 N ATOM 667 CD2 HIS A 45 -3.727 0.895 -7.085 1.00 1.25 C ATOM 668 CE1 HIS A 45 -3.803 1.373 -9.219 1.00 2.16 C ATOM 669 NE2 HIS A 45 -4.260 0.494 -8.314 1.00 1.97 N ATOM 0 H HIS A 45 -0.132 3.073 -4.979 1.00 0.44 H new ATOM 0 HA HIS A 45 -2.991 2.407 -4.540 1.00 0.49 H new ATOM 0 HB2 HIS A 45 -2.211 3.757 -6.407 1.00 0.73 H new ATOM 0 HB3 HIS A 45 -0.998 2.555 -6.803 1.00 0.73 H new ATOM 0 HD1 HIS A 45 -2.574 3.082 -9.128 1.00 1.53 H new ATOM 0 HD2 HIS A 45 -3.883 0.414 -6.131 1.00 1.25 H new ATOM 0 HE1 HIS A 45 -4.032 1.333 -10.274 1.00 2.16 H new ATOM 677 N ILE A 46 -2.378 0.084 -3.855 1.00 0.56 N ATOM 678 CA ILE A 46 -2.282 -1.347 -3.612 1.00 0.57 C ATOM 679 C ILE A 46 -3.449 -1.991 -4.367 1.00 0.60 C ATOM 680 O ILE A 46 -4.552 -1.449 -4.338 1.00 0.74 O ATOM 681 CB ILE A 46 -2.343 -1.600 -2.091 1.00 0.59 C ATOM 682 CG1 ILE A 46 -1.000 -1.398 -1.370 1.00 0.70 C ATOM 683 CG2 ILE A 46 -2.743 -3.042 -1.799 1.00 0.73 C ATOM 684 CD1 ILE A 46 -0.308 -0.067 -1.637 1.00 1.34 C ATOM 0 H ILE A 46 -3.042 0.552 -3.239 1.00 0.56 H new ATOM 0 HA ILE A 46 -1.345 -1.778 -3.964 1.00 0.57 H new ATOM 0 HB ILE A 46 -3.070 -0.873 -1.728 1.00 0.59 H new ATOM 0 HG12 ILE A 46 -1.165 -1.493 -0.297 1.00 0.70 H new ATOM 0 HG13 ILE A 46 -0.326 -2.203 -1.661 1.00 0.70 H new ATOM 0 HG21 ILE A 46 -2.780 -3.198 -0.721 1.00 0.73 H new ATOM 0 HG22 ILE A 46 -3.725 -3.241 -2.228 1.00 0.73 H new ATOM 0 HG23 ILE A 46 -2.011 -3.719 -2.239 1.00 0.73 H new ATOM 0 HD11 ILE A 46 0.629 -0.026 -1.082 1.00 1.34 H new ATOM 0 HD12 ILE A 46 -0.103 0.029 -2.703 1.00 1.34 H new ATOM 0 HD13 ILE A 46 -0.955 0.750 -1.317 1.00 1.34 H new ATOM 696 N LYS A 47 -3.220 -3.115 -5.057 1.00 0.71 N ATOM 697 CA LYS A 47 -4.249 -3.849 -5.779 1.00 0.69 C ATOM 698 C LYS A 47 -4.347 -5.234 -5.150 1.00 0.64 C ATOM 699 O LYS A 47 -3.325 -5.906 -5.002 1.00 0.98 O ATOM 700 CB LYS A 47 -3.866 -3.939 -7.258 1.00 0.77 C ATOM 701 CG LYS A 47 -3.718 -2.536 -7.861 1.00 0.78 C ATOM 702 CD LYS A 47 -3.477 -2.570 -9.379 1.00 1.18 C ATOM 703 CE LYS A 47 -4.760 -2.501 -10.217 1.00 1.56 C ATOM 704 NZ LYS A 47 -5.687 -3.610 -9.928 1.00 2.76 N ATOM 0 H LYS A 47 -2.296 -3.542 -5.126 1.00 0.71 H new ATOM 0 HA LYS A 47 -5.215 -3.348 -5.717 1.00 0.69 H new ATOM 0 HB2 LYS A 47 -2.930 -4.488 -7.365 1.00 0.77 H new ATOM 0 HB3 LYS A 47 -4.627 -4.497 -7.803 1.00 0.77 H new ATOM 0 HG2 LYS A 47 -4.618 -1.958 -7.652 1.00 0.78 H new ATOM 0 HG3 LYS A 47 -2.889 -2.021 -7.376 1.00 0.78 H new ATOM 0 HD2 LYS A 47 -2.831 -1.735 -9.653 1.00 1.18 H new ATOM 0 HD3 LYS A 47 -2.940 -3.484 -9.631 1.00 1.18 H new ATOM 0 HE2 LYS A 47 -5.263 -1.553 -10.027 1.00 1.56 H new ATOM 0 HE3 LYS A 47 -4.499 -2.517 -11.275 1.00 1.56 H new ATOM 0 HZ1 LYS A 47 -6.480 -3.584 -10.601 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -5.184 -4.516 -10.020 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -6.052 -3.514 -8.959 1.00 2.76 H new ATOM 718 N TYR A 48 -5.553 -5.646 -4.749 1.00 0.73 N ATOM 719 CA TYR A 48 -5.750 -6.784 -3.867 1.00 0.66 C ATOM 720 C TYR A 48 -7.122 -7.406 -4.094 1.00 0.65 C ATOM 721 O TYR A 48 -8.034 -6.713 -4.543 1.00 0.80 O ATOM 722 CB TYR A 48 -5.592 -6.333 -2.409 1.00 0.67 C ATOM 723 CG TYR A 48 -6.536 -5.242 -1.917 1.00 0.76 C ATOM 724 CD1 TYR A 48 -6.286 -3.900 -2.250 1.00 2.19 C ATOM 725 CD2 TYR A 48 -7.487 -5.524 -0.918 1.00 1.72 C ATOM 726 CE1 TYR A 48 -6.792 -2.865 -1.447 1.00 2.60 C ATOM 727 CE2 TYR A 48 -8.043 -4.489 -0.149 1.00 1.73 C ATOM 728 CZ TYR A 48 -7.648 -3.165 -0.376 1.00 1.62 C ATOM 729 OH TYR A 48 -8.048 -2.185 0.480 1.00 2.22 O ATOM 0 H TYR A 48 -6.421 -5.192 -5.033 1.00 0.73 H new ATOM 0 HA TYR A 48 -4.999 -7.543 -4.087 1.00 0.66 H new ATOM 0 HB2 TYR A 48 -5.720 -7.206 -1.769 1.00 0.67 H new ATOM 0 HB3 TYR A 48 -4.569 -5.983 -2.271 1.00 0.67 H new ATOM 0 HD1 TYR A 48 -5.702 -3.663 -3.127 1.00 2.19 H new ATOM 0 HD2 TYR A 48 -7.792 -6.545 -0.742 1.00 1.72 H new ATOM 0 HE1 TYR A 48 -6.523 -1.840 -1.653 1.00 2.60 H new ATOM 0 HE2 TYR A 48 -8.773 -4.713 0.615 1.00 1.73 H new ATOM 0 HH TYR A 48 -8.639 -2.567 1.162 1.00 2.22 H new ATOM 739 N ASP A 49 -7.277 -8.697 -3.786 1.00 0.60 N ATOM 740 CA ASP A 49 -8.596 -9.315 -3.777 1.00 0.72 C ATOM 741 C ASP A 49 -9.400 -8.756 -2.595 1.00 0.77 C ATOM 742 O ASP A 49 -8.823 -8.472 -1.552 1.00 1.23 O ATOM 743 CB ASP A 49 -8.502 -10.846 -3.710 1.00 1.06 C ATOM 744 CG ASP A 49 -8.154 -11.361 -2.320 1.00 3.28 C ATOM 745 OD1 ASP A 49 -9.068 -11.390 -1.464 1.00 4.98 O ATOM 746 OD2 ASP A 49 -6.977 -11.720 -2.124 1.00 3.93 O ATOM 0 H ASP A 49 -6.511 -9.325 -3.543 1.00 0.60 H new ATOM 0 HA ASP A 49 -9.107 -9.074 -4.709 1.00 0.72 H new ATOM 0 HB2 ASP A 49 -9.453 -11.277 -4.023 1.00 1.06 H new ATOM 0 HB3 ASP A 49 -7.748 -11.189 -4.418 1.00 1.06 H new ATOM 751 N PRO A 50 -10.717 -8.575 -2.730 1.00 0.86 N ATOM 752 CA PRO A 50 -11.579 -8.147 -1.640 1.00 1.01 C ATOM 753 C PRO A 50 -12.203 -9.350 -0.911 1.00 1.03 C ATOM 754 O PRO A 50 -13.286 -9.210 -0.344 1.00 1.44 O ATOM 755 CB PRO A 50 -12.648 -7.310 -2.352 1.00 1.30 C ATOM 756 CG PRO A 50 -12.841 -8.080 -3.662 1.00 1.37 C ATOM 757 CD PRO A 50 -11.425 -8.543 -3.994 1.00 1.15 C ATOM 0 HA PRO A 50 -11.046 -7.593 -0.867 1.00 1.01 H new ATOM 0 HB2 PRO A 50 -13.571 -7.251 -1.775 1.00 1.30 H new ATOM 0 HB3 PRO A 50 -12.315 -6.287 -2.526 1.00 1.30 H new ATOM 0 HG2 PRO A 50 -13.523 -8.921 -3.540 1.00 1.37 H new ATOM 0 HG3 PRO A 50 -13.254 -7.446 -4.447 1.00 1.37 H new ATOM 0 HD2 PRO A 50 -11.435 -9.527 -4.463 1.00 1.15 H new ATOM 0 HD3 PRO A 50 -10.944 -7.861 -4.695 1.00 1.15 H new ATOM 765 N GLU A 51 -11.575 -10.532 -0.955 1.00 0.95 N ATOM 766 CA GLU A 51 -12.201 -11.797 -0.596 1.00 1.09 C ATOM 767 C GLU A 51 -11.554 -12.359 0.671 1.00 1.07 C ATOM 768 O GLU A 51 -12.237 -12.576 1.671 1.00 1.63 O ATOM 769 CB GLU A 51 -12.090 -12.765 -1.786 1.00 1.30 C ATOM 770 CG GLU A 51 -12.779 -12.181 -3.030 1.00 2.20 C ATOM 771 CD GLU A 51 -12.628 -13.073 -4.255 1.00 2.59 C ATOM 772 OE1 GLU A 51 -12.833 -14.295 -4.100 1.00 2.82 O ATOM 773 OE2 GLU A 51 -12.319 -12.508 -5.328 1.00 3.55 O ATOM 0 H GLU A 51 -10.603 -10.631 -1.247 1.00 0.95 H new ATOM 0 HA GLU A 51 -13.259 -11.650 -0.377 1.00 1.09 H new ATOM 0 HB2 GLU A 51 -11.040 -12.961 -2.004 1.00 1.30 H new ATOM 0 HB3 GLU A 51 -12.546 -13.721 -1.527 1.00 1.30 H new ATOM 0 HG2 GLU A 51 -13.838 -12.035 -2.819 1.00 2.20 H new ATOM 0 HG3 GLU A 51 -12.359 -11.199 -3.246 1.00 2.20 H new ATOM 780 N ILE A 52 -10.240 -12.592 0.635 1.00 0.81 N ATOM 781 CA ILE A 52 -9.473 -13.052 1.784 1.00 0.94 C ATOM 782 C ILE A 52 -8.830 -11.864 2.503 1.00 0.91 C ATOM 783 O ILE A 52 -8.946 -11.739 3.725 1.00 1.32 O ATOM 784 CB ILE A 52 -8.452 -14.144 1.391 1.00 1.23 C ATOM 785 CG1 ILE A 52 -7.538 -13.768 0.209 1.00 1.20 C ATOM 786 CG2 ILE A 52 -9.205 -15.444 1.072 1.00 2.14 C ATOM 787 CD1 ILE A 52 -6.269 -14.623 0.136 1.00 1.96 C ATOM 0 H ILE A 52 -9.676 -12.464 -0.205 1.00 0.81 H new ATOM 0 HA ILE A 52 -10.155 -13.527 2.490 1.00 0.94 H new ATOM 0 HB ILE A 52 -7.789 -14.268 2.248 1.00 1.23 H new ATOM 0 HG12 ILE A 52 -8.095 -13.875 -0.722 1.00 1.20 H new ATOM 0 HG13 ILE A 52 -7.257 -12.718 0.294 1.00 1.20 H new ATOM 0 HG21 ILE A 52 -8.491 -16.219 0.794 1.00 2.14 H new ATOM 0 HG22 ILE A 52 -9.765 -15.765 1.950 1.00 2.14 H new ATOM 0 HG23 ILE A 52 -9.894 -15.272 0.245 1.00 2.14 H new ATOM 0 HD11 ILE A 52 -5.668 -14.309 -0.717 1.00 1.96 H new ATOM 0 HD12 ILE A 52 -5.692 -14.497 1.052 1.00 1.96 H new ATOM 0 HD13 ILE A 52 -6.543 -15.672 0.021 1.00 1.96 H new ATOM 799 N ILE A 53 -8.143 -10.996 1.760 1.00 0.70 N ATOM 800 CA ILE A 53 -7.366 -9.898 2.320 1.00 0.68 C ATOM 801 C ILE A 53 -8.273 -8.664 2.402 1.00 0.67 C ATOM 802 O ILE A 53 -9.229 -8.541 1.638 1.00 0.86 O ATOM 803 CB ILE A 53 -6.080 -9.704 1.491 1.00 0.74 C ATOM 804 CG1 ILE A 53 -5.040 -8.779 2.142 1.00 0.90 C ATOM 805 CG2 ILE A 53 -6.373 -9.152 0.103 1.00 0.80 C ATOM 806 CD1 ILE A 53 -4.028 -9.578 2.961 1.00 1.19 C ATOM 0 H ILE A 53 -8.112 -11.039 0.741 1.00 0.70 H new ATOM 0 HA ILE A 53 -7.026 -10.105 3.335 1.00 0.68 H new ATOM 0 HB ILE A 53 -5.661 -10.709 1.432 1.00 0.74 H new ATOM 0 HG12 ILE A 53 -4.520 -8.211 1.370 1.00 0.90 H new ATOM 0 HG13 ILE A 53 -5.543 -8.057 2.785 1.00 0.90 H new ATOM 0 HG21 ILE A 53 -5.439 -9.031 -0.445 1.00 0.80 H new ATOM 0 HG22 ILE A 53 -7.022 -9.844 -0.434 1.00 0.80 H new ATOM 0 HG23 ILE A 53 -6.868 -8.185 0.193 1.00 0.80 H new ATOM 0 HD11 ILE A 53 -3.305 -8.897 3.410 1.00 1.19 H new ATOM 0 HD12 ILE A 53 -4.548 -10.125 3.747 1.00 1.19 H new ATOM 0 HD13 ILE A 53 -3.509 -10.282 2.311 1.00 1.19 H new ATOM 818 N GLY A 54 -8.015 -7.765 3.352 1.00 0.59 N ATOM 819 CA GLY A 54 -8.762 -6.529 3.517 1.00 0.60 C ATOM 820 C GLY A 54 -7.815 -5.356 3.760 1.00 0.54 C ATOM 821 O GLY A 54 -6.632 -5.566 4.036 1.00 0.60 O ATOM 0 H GLY A 54 -7.268 -7.882 4.037 1.00 0.59 H new ATOM 0 HA2 GLY A 54 -9.363 -6.340 2.628 1.00 0.60 H new ATOM 0 HA3 GLY A 54 -9.453 -6.625 4.354 1.00 0.60 H new ATOM 825 N PRO A 55 -8.335 -4.115 3.708 1.00 0.60 N ATOM 826 CA PRO A 55 -7.564 -2.907 3.967 1.00 0.60 C ATOM 827 C PRO A 55 -6.789 -3.031 5.276 1.00 0.59 C ATOM 828 O PRO A 55 -5.613 -2.687 5.329 1.00 0.60 O ATOM 829 CB PRO A 55 -8.571 -1.750 3.978 1.00 0.68 C ATOM 830 CG PRO A 55 -9.922 -2.426 4.207 1.00 0.79 C ATOM 831 CD PRO A 55 -9.743 -3.789 3.539 1.00 0.76 C ATOM 0 HA PRO A 55 -6.808 -2.733 3.201 1.00 0.60 H new ATOM 0 HB2 PRO A 55 -8.346 -1.034 4.768 1.00 0.68 H new ATOM 0 HB3 PRO A 55 -8.556 -1.201 3.037 1.00 0.68 H new ATOM 0 HG2 PRO A 55 -10.149 -2.524 5.269 1.00 0.79 H new ATOM 0 HG3 PRO A 55 -10.738 -1.860 3.757 1.00 0.79 H new ATOM 0 HD2 PRO A 55 -10.380 -4.542 4.003 1.00 0.76 H new ATOM 0 HD3 PRO A 55 -10.014 -3.749 2.484 1.00 0.76 H new ATOM 839 N ARG A 56 -7.447 -3.576 6.306 1.00 0.64 N ATOM 840 CA ARG A 56 -6.861 -3.919 7.594 1.00 0.72 C ATOM 841 C ARG A 56 -5.433 -4.485 7.445 1.00 0.65 C ATOM 842 O ARG A 56 -4.507 -4.037 8.114 1.00 0.63 O ATOM 843 CB ARG A 56 -7.821 -4.886 8.332 1.00 0.97 C ATOM 844 CG ARG A 56 -7.737 -6.300 7.743 1.00 2.95 C ATOM 845 CD ARG A 56 -8.786 -7.349 8.113 1.00 3.94 C ATOM 846 NE ARG A 56 -8.328 -8.615 7.509 1.00 5.94 N ATOM 847 CZ ARG A 56 -9.001 -9.424 6.677 1.00 7.48 C ATOM 848 NH1 ARG A 56 -10.336 -9.465 6.694 1.00 7.46 N ATOM 849 NH2 ARG A 56 -8.315 -10.175 5.817 1.00 9.35 N ATOM 0 H ARG A 56 -8.442 -3.796 6.256 1.00 0.64 H new ATOM 0 HA ARG A 56 -6.746 -3.018 8.196 1.00 0.72 H new ATOM 0 HB2 ARG A 56 -7.570 -4.914 9.392 1.00 0.97 H new ATOM 0 HB3 ARG A 56 -8.844 -4.517 8.256 1.00 0.97 H new ATOM 0 HG2 ARG A 56 -7.749 -6.200 6.658 1.00 2.95 H new ATOM 0 HG3 ARG A 56 -6.763 -6.707 8.015 1.00 2.95 H new ATOM 0 HD2 ARG A 56 -8.878 -7.444 9.195 1.00 3.94 H new ATOM 0 HD3 ARG A 56 -9.769 -7.069 7.733 1.00 3.94 H new ATOM 0 HE ARG A 56 -7.383 -8.912 7.754 1.00 5.94 H new ATOM 0 HH11 ARG A 56 -10.856 -8.877 7.345 1.00 7.46 H new ATOM 0 HH12 ARG A 56 -10.835 -10.085 6.056 1.00 7.46 H new ATOM 0 HH21 ARG A 56 -7.296 -10.129 5.799 1.00 9.35 H new ATOM 0 HH22 ARG A 56 -8.808 -10.797 5.176 1.00 9.35 H new ATOM 863 N ASP A 57 -5.247 -5.486 6.576 1.00 0.68 N ATOM 864 CA ASP A 57 -4.035 -6.289 6.538 1.00 0.63 C ATOM 865 C ASP A 57 -2.906 -5.437 5.976 1.00 0.56 C ATOM 866 O ASP A 57 -1.822 -5.341 6.552 1.00 0.55 O ATOM 867 CB ASP A 57 -4.249 -7.545 5.685 1.00 0.69 C ATOM 868 CG ASP A 57 -5.455 -8.376 6.095 1.00 1.35 C ATOM 869 OD1 ASP A 57 -5.609 -8.706 7.289 1.00 2.40 O ATOM 870 OD2 ASP A 57 -6.287 -8.661 5.208 1.00 2.38 O ATOM 0 H ASP A 57 -5.941 -5.757 5.879 1.00 0.68 H new ATOM 0 HA ASP A 57 -3.776 -6.617 7.545 1.00 0.63 H new ATOM 0 HB2 ASP A 57 -4.363 -7.248 4.643 1.00 0.69 H new ATOM 0 HB3 ASP A 57 -3.356 -8.167 5.743 1.00 0.69 H new ATOM 875 N ILE A 58 -3.195 -4.801 4.838 1.00 0.55 N ATOM 876 CA ILE A 58 -2.299 -3.858 4.190 1.00 0.51 C ATOM 877 C ILE A 58 -1.903 -2.797 5.206 1.00 0.47 C ATOM 878 O ILE A 58 -0.730 -2.461 5.341 1.00 0.46 O ATOM 879 CB ILE A 58 -3.003 -3.199 2.995 1.00 0.52 C ATOM 880 CG1 ILE A 58 -3.425 -4.247 1.958 1.00 0.46 C ATOM 881 CG2 ILE A 58 -2.085 -2.155 2.338 1.00 0.66 C ATOM 882 CD1 ILE A 58 -4.550 -3.681 1.097 1.00 1.45 C ATOM 0 H ILE A 58 -4.074 -4.933 4.338 1.00 0.55 H new ATOM 0 HA ILE A 58 -1.413 -4.377 3.825 1.00 0.51 H new ATOM 0 HB ILE A 58 -3.898 -2.702 3.368 1.00 0.52 H new ATOM 0 HG12 ILE A 58 -2.575 -4.519 1.333 1.00 0.46 H new ATOM 0 HG13 ILE A 58 -3.757 -5.157 2.458 1.00 0.46 H new ATOM 0 HG21 ILE A 58 -2.600 -1.698 1.493 1.00 0.66 H new ATOM 0 HG22 ILE A 58 -1.829 -1.385 3.066 1.00 0.66 H new ATOM 0 HG23 ILE A 58 -1.174 -2.640 1.988 1.00 0.66 H new ATOM 0 HD11 ILE A 58 -4.852 -4.424 0.359 1.00 1.45 H new ATOM 0 HD12 ILE A 58 -5.402 -3.431 1.730 1.00 1.45 H new ATOM 0 HD13 ILE A 58 -4.201 -2.783 0.587 1.00 1.45 H new ATOM 894 N ILE A 59 -2.894 -2.263 5.919 1.00 0.50 N ATOM 895 CA ILE A 59 -2.666 -1.226 6.897 1.00 0.50 C ATOM 896 C ILE A 59 -1.679 -1.721 7.954 1.00 0.51 C ATOM 897 O ILE A 59 -0.634 -1.103 8.143 1.00 0.50 O ATOM 898 CB ILE A 59 -4.011 -0.715 7.438 1.00 0.57 C ATOM 899 CG1 ILE A 59 -4.632 0.181 6.352 1.00 0.63 C ATOM 900 CG2 ILE A 59 -3.883 0.008 8.786 1.00 0.62 C ATOM 901 CD1 ILE A 59 -6.114 0.428 6.592 1.00 0.66 C ATOM 0 H ILE A 59 -3.871 -2.543 5.828 1.00 0.50 H new ATOM 0 HA ILE A 59 -2.190 -0.354 6.448 1.00 0.50 H new ATOM 0 HB ILE A 59 -4.663 -1.562 7.649 1.00 0.57 H new ATOM 0 HG12 ILE A 59 -4.106 1.135 6.325 1.00 0.63 H new ATOM 0 HG13 ILE A 59 -4.496 -0.286 5.376 1.00 0.63 H new ATOM 0 HG21 ILE A 59 -4.867 0.344 9.113 1.00 0.62 H new ATOM 0 HG22 ILE A 59 -3.468 -0.675 9.527 1.00 0.62 H new ATOM 0 HG23 ILE A 59 -3.224 0.869 8.676 1.00 0.62 H new ATOM 0 HD11 ILE A 59 -6.509 1.065 5.801 1.00 0.66 H new ATOM 0 HD12 ILE A 59 -6.646 -0.523 6.592 1.00 0.66 H new ATOM 0 HD13 ILE A 59 -6.250 0.919 7.555 1.00 0.66 H new ATOM 913 N HIS A 60 -1.955 -2.875 8.567 1.00 0.55 N ATOM 914 CA HIS A 60 -1.090 -3.441 9.598 1.00 0.60 C ATOM 915 C HIS A 60 0.320 -3.620 9.037 1.00 0.51 C ATOM 916 O HIS A 60 1.318 -3.346 9.701 1.00 0.53 O ATOM 917 CB HIS A 60 -1.631 -4.797 10.077 1.00 0.80 C ATOM 918 CG HIS A 60 -3.054 -4.797 10.581 1.00 1.32 C ATOM 919 ND1 HIS A 60 -3.931 -5.853 10.475 1.00 3.29 N ATOM 920 CD2 HIS A 60 -3.716 -3.770 11.203 1.00 1.23 C ATOM 921 CE1 HIS A 60 -5.096 -5.468 11.023 1.00 3.33 C ATOM 922 NE2 HIS A 60 -5.016 -4.210 11.483 1.00 1.90 N ATOM 0 H HIS A 60 -2.780 -3.438 8.362 1.00 0.55 H new ATOM 0 HA HIS A 60 -1.066 -2.758 10.447 1.00 0.60 H new ATOM 0 HB2 HIS A 60 -1.557 -5.507 9.254 1.00 0.80 H new ATOM 0 HB3 HIS A 60 -0.984 -5.164 10.873 1.00 0.80 H new ATOM 0 HD2 HIS A 60 -3.309 -2.797 11.435 1.00 1.23 H new ATOM 0 HE1 HIS A 60 -5.978 -6.088 11.085 1.00 3.33 H new ATOM 0 HE2 HIS A 60 -5.755 -3.680 11.945 1.00 1.90 H new ATOM 930 N THR A 61 0.394 -4.085 7.791 1.00 0.49 N ATOM 931 CA THR A 61 1.650 -4.315 7.104 1.00 0.52 C ATOM 932 C THR A 61 2.436 -3.002 6.961 1.00 0.50 C ATOM 933 O THR A 61 3.590 -2.924 7.379 1.00 0.59 O ATOM 934 CB THR A 61 1.353 -5.011 5.768 1.00 0.58 C ATOM 935 OG1 THR A 61 0.726 -6.251 6.020 1.00 0.67 O ATOM 936 CG2 THR A 61 2.617 -5.280 4.946 1.00 0.67 C ATOM 0 H THR A 61 -0.427 -4.313 7.231 1.00 0.49 H new ATOM 0 HA THR A 61 2.297 -4.975 7.681 1.00 0.52 H new ATOM 0 HB THR A 61 0.711 -4.341 5.196 1.00 0.58 H new ATOM 0 HG1 THR A 61 -0.219 -6.102 6.235 1.00 0.67 H new ATOM 0 HG21 THR A 61 2.346 -5.773 4.013 1.00 0.67 H new ATOM 0 HG22 THR A 61 3.116 -4.336 4.726 1.00 0.67 H new ATOM 0 HG23 THR A 61 3.290 -5.922 5.514 1.00 0.67 H new ATOM 944 N ILE A 62 1.833 -1.959 6.388 1.00 0.45 N ATOM 945 CA ILE A 62 2.502 -0.679 6.177 1.00 0.44 C ATOM 946 C ILE A 62 2.890 -0.046 7.523 1.00 0.45 C ATOM 947 O ILE A 62 4.000 0.472 7.668 1.00 0.51 O ATOM 948 CB ILE A 62 1.616 0.247 5.324 1.00 0.45 C ATOM 949 CG1 ILE A 62 1.360 -0.298 3.903 1.00 0.54 C ATOM 950 CG2 ILE A 62 2.226 1.649 5.242 1.00 0.53 C ATOM 951 CD1 ILE A 62 2.524 -0.092 2.927 1.00 1.65 C ATOM 0 H ILE A 62 0.868 -1.980 6.058 1.00 0.45 H new ATOM 0 HA ILE A 62 3.428 -0.841 5.625 1.00 0.44 H new ATOM 0 HB ILE A 62 0.650 0.294 5.826 1.00 0.45 H new ATOM 0 HG12 ILE A 62 1.142 -1.364 3.970 1.00 0.54 H new ATOM 0 HG13 ILE A 62 0.471 0.185 3.497 1.00 0.54 H new ATOM 0 HG21 ILE A 62 1.586 2.289 4.635 1.00 0.53 H new ATOM 0 HG22 ILE A 62 2.312 2.068 6.245 1.00 0.53 H new ATOM 0 HG23 ILE A 62 3.215 1.589 4.788 1.00 0.53 H new ATOM 0 HD11 ILE A 62 2.260 -0.504 1.953 1.00 1.65 H new ATOM 0 HD12 ILE A 62 2.730 0.974 2.826 1.00 1.65 H new ATOM 0 HD13 ILE A 62 3.411 -0.599 3.307 1.00 1.65 H new ATOM 963 N GLU A 63 2.001 -0.117 8.518 1.00 0.44 N ATOM 964 CA GLU A 63 2.310 0.296 9.879 1.00 0.51 C ATOM 965 C GLU A 63 3.543 -0.456 10.387 1.00 0.57 C ATOM 966 O GLU A 63 4.463 0.157 10.920 1.00 0.65 O ATOM 967 CB GLU A 63 1.085 0.073 10.776 1.00 0.63 C ATOM 968 CG GLU A 63 -0.035 1.063 10.418 1.00 1.28 C ATOM 969 CD GLU A 63 -1.352 0.762 11.123 1.00 2.09 C ATOM 970 OE1 GLU A 63 -1.511 -0.385 11.597 1.00 2.61 O ATOM 971 OE2 GLU A 63 -2.188 1.690 11.157 1.00 3.31 O ATOM 0 H GLU A 63 1.049 -0.463 8.397 1.00 0.44 H new ATOM 0 HA GLU A 63 2.547 1.360 9.901 1.00 0.51 H new ATOM 0 HB2 GLU A 63 0.725 -0.949 10.661 1.00 0.63 H new ATOM 0 HB3 GLU A 63 1.366 0.196 11.822 1.00 0.63 H new ATOM 0 HG2 GLU A 63 0.285 2.072 10.676 1.00 1.28 H new ATOM 0 HG3 GLU A 63 -0.195 1.045 9.340 1.00 1.28 H new ATOM 978 N SER A 64 3.592 -1.776 10.184 1.00 0.59 N ATOM 979 CA SER A 64 4.742 -2.586 10.560 1.00 0.66 C ATOM 980 C SER A 64 6.009 -2.150 9.811 1.00 0.70 C ATOM 981 O SER A 64 7.088 -2.164 10.397 1.00 0.82 O ATOM 982 CB SER A 64 4.447 -4.077 10.350 1.00 0.73 C ATOM 983 OG SER A 64 5.432 -4.871 10.986 1.00 1.55 O ATOM 0 H SER A 64 2.834 -2.307 9.755 1.00 0.59 H new ATOM 0 HA SER A 64 4.930 -2.428 11.622 1.00 0.66 H new ATOM 0 HB2 SER A 64 3.462 -4.319 10.750 1.00 0.73 H new ATOM 0 HB3 SER A 64 4.422 -4.302 9.284 1.00 0.73 H new ATOM 0 HG SER A 64 5.229 -5.819 10.844 1.00 1.55 H new ATOM 989 N LEU A 65 5.909 -1.799 8.522 1.00 0.70 N ATOM 990 CA LEU A 65 7.050 -1.250 7.789 1.00 0.75 C ATOM 991 C LEU A 65 7.476 0.101 8.375 1.00 0.78 C ATOM 992 O LEU A 65 8.669 0.400 8.412 1.00 1.02 O ATOM 993 CB LEU A 65 6.765 -1.123 6.284 1.00 0.75 C ATOM 994 CG LEU A 65 6.516 -2.456 5.558 1.00 0.79 C ATOM 995 CD1 LEU A 65 6.344 -2.179 4.061 1.00 0.99 C ATOM 996 CD2 LEU A 65 7.658 -3.463 5.746 1.00 0.87 C ATOM 0 H LEU A 65 5.055 -1.886 7.971 1.00 0.70 H new ATOM 0 HA LEU A 65 7.873 -1.955 7.904 1.00 0.75 H new ATOM 0 HB2 LEU A 65 5.894 -0.483 6.147 1.00 0.75 H new ATOM 0 HB3 LEU A 65 7.608 -0.620 5.810 1.00 0.75 H new ATOM 0 HG LEU A 65 5.618 -2.898 5.990 1.00 0.79 H new ATOM 0 HD11 LEU A 65 6.167 -3.117 3.535 1.00 0.99 H new ATOM 0 HD12 LEU A 65 5.495 -1.512 3.910 1.00 0.99 H new ATOM 0 HD13 LEU A 65 7.248 -1.710 3.672 1.00 0.99 H new ATOM 0 HD21 LEU A 65 7.424 -4.383 5.210 1.00 0.87 H new ATOM 0 HD22 LEU A 65 8.584 -3.041 5.354 1.00 0.87 H new ATOM 0 HD23 LEU A 65 7.779 -3.682 6.807 1.00 0.87 H new ATOM 1008 N GLY A 66 6.512 0.902 8.835 1.00 0.68 N ATOM 1009 CA GLY A 66 6.757 2.115 9.604 1.00 0.73 C ATOM 1010 C GLY A 66 6.341 3.375 8.851 1.00 0.67 C ATOM 1011 O GLY A 66 7.028 4.391 8.935 1.00 0.81 O ATOM 0 H GLY A 66 5.521 0.718 8.678 1.00 0.68 H new ATOM 0 HA2 GLY A 66 6.211 2.061 10.546 1.00 0.73 H new ATOM 0 HA3 GLY A 66 7.817 2.177 9.852 1.00 0.73 H new ATOM 1015 N PHE A 67 5.202 3.329 8.154 1.00 0.54 N ATOM 1016 CA PHE A 67 4.569 4.499 7.553 1.00 0.50 C ATOM 1017 C PHE A 67 3.091 4.458 7.937 1.00 0.49 C ATOM 1018 O PHE A 67 2.613 3.395 8.324 1.00 0.55 O ATOM 1019 CB PHE A 67 4.742 4.468 6.028 1.00 0.46 C ATOM 1020 CG PHE A 67 6.138 4.109 5.545 1.00 0.46 C ATOM 1021 CD1 PHE A 67 7.235 4.915 5.902 1.00 1.82 C ATOM 1022 CD2 PHE A 67 6.347 2.964 4.752 1.00 1.67 C ATOM 1023 CE1 PHE A 67 8.527 4.589 5.458 1.00 1.83 C ATOM 1024 CE2 PHE A 67 7.638 2.642 4.300 1.00 1.69 C ATOM 1025 CZ PHE A 67 8.728 3.460 4.646 1.00 0.56 C ATOM 0 H PHE A 67 4.689 2.463 7.991 1.00 0.54 H new ATOM 0 HA PHE A 67 5.027 5.421 7.912 1.00 0.50 H new ATOM 0 HB2 PHE A 67 4.035 3.750 5.612 1.00 0.46 H new ATOM 0 HB3 PHE A 67 4.476 5.446 5.628 1.00 0.46 H new ATOM 0 HD1 PHE A 67 7.083 5.788 6.520 1.00 1.82 H new ATOM 0 HD2 PHE A 67 5.512 2.331 4.490 1.00 1.67 H new ATOM 0 HE1 PHE A 67 9.367 5.207 5.741 1.00 1.83 H new ATOM 0 HE2 PHE A 67 7.793 1.766 3.687 1.00 1.69 H new ATOM 0 HZ PHE A 67 9.719 3.221 4.288 1.00 0.56 H new ATOM 1035 N GLU A 68 2.363 5.574 7.832 1.00 0.50 N ATOM 1036 CA GLU A 68 0.955 5.626 8.189 1.00 0.52 C ATOM 1037 C GLU A 68 0.100 5.519 6.912 1.00 0.45 C ATOM 1038 O GLU A 68 0.078 6.462 6.117 1.00 0.48 O ATOM 1039 CB GLU A 68 0.690 6.947 8.904 1.00 0.67 C ATOM 1040 CG GLU A 68 1.476 7.147 10.206 1.00 1.02 C ATOM 1041 CD GLU A 68 1.121 8.502 10.796 1.00 1.62 C ATOM 1042 OE1 GLU A 68 1.564 9.521 10.227 1.00 2.14 O ATOM 1043 OE2 GLU A 68 0.245 8.540 11.685 1.00 2.79 O ATOM 0 H GLU A 68 2.739 6.461 7.497 1.00 0.50 H new ATOM 0 HA GLU A 68 0.694 4.798 8.848 1.00 0.52 H new ATOM 0 HB2 GLU A 68 0.928 7.765 8.224 1.00 0.67 H new ATOM 0 HB3 GLU A 68 -0.375 7.016 9.126 1.00 0.67 H new ATOM 0 HG2 GLU A 68 1.238 6.354 10.915 1.00 1.02 H new ATOM 0 HG3 GLU A 68 2.547 7.090 10.012 1.00 1.02 H new ATOM 1050 N PRO A 69 -0.599 4.396 6.679 1.00 0.46 N ATOM 1051 CA PRO A 69 -1.372 4.161 5.468 1.00 0.45 C ATOM 1052 C PRO A 69 -2.743 4.834 5.567 1.00 0.56 C ATOM 1053 O PRO A 69 -3.730 4.224 5.975 1.00 1.00 O ATOM 1054 CB PRO A 69 -1.489 2.642 5.363 1.00 0.47 C ATOM 1055 CG PRO A 69 -1.505 2.207 6.823 1.00 0.53 C ATOM 1056 CD PRO A 69 -0.629 3.225 7.538 1.00 0.57 C ATOM 0 HA PRO A 69 -0.899 4.583 4.581 1.00 0.45 H new ATOM 0 HB2 PRO A 69 -2.397 2.341 4.841 1.00 0.47 H new ATOM 0 HB3 PRO A 69 -0.650 2.208 4.820 1.00 0.47 H new ATOM 0 HG2 PRO A 69 -2.518 2.205 7.225 1.00 0.53 H new ATOM 0 HG3 PRO A 69 -1.114 1.196 6.940 1.00 0.53 H new ATOM 0 HD2 PRO A 69 -1.036 3.470 8.519 1.00 0.57 H new ATOM 0 HD3 PRO A 69 0.375 2.832 7.699 1.00 0.57 H new ATOM 1064 N SER A 70 -2.827 6.098 5.159 1.00 0.51 N ATOM 1065 CA SER A 70 -4.065 6.850 5.237 1.00 0.63 C ATOM 1066 C SER A 70 -4.946 6.428 4.058 1.00 0.57 C ATOM 1067 O SER A 70 -4.750 6.918 2.953 1.00 0.56 O ATOM 1068 CB SER A 70 -3.772 8.363 5.218 1.00 0.93 C ATOM 1069 OG SER A 70 -2.514 8.677 5.798 1.00 1.88 O ATOM 0 H SER A 70 -2.043 6.621 4.769 1.00 0.51 H new ATOM 0 HA SER A 70 -4.588 6.641 6.170 1.00 0.63 H new ATOM 0 HB2 SER A 70 -3.795 8.722 4.189 1.00 0.93 H new ATOM 0 HB3 SER A 70 -4.559 8.890 5.757 1.00 0.93 H new ATOM 0 HG SER A 70 -1.803 8.524 5.141 1.00 1.88 H new ATOM 1075 N LEU A 71 -5.885 5.500 4.247 1.00 0.74 N ATOM 1076 CA LEU A 71 -6.809 5.116 3.183 1.00 0.82 C ATOM 1077 C LEU A 71 -7.632 6.330 2.721 1.00 0.91 C ATOM 1078 O LEU A 71 -8.497 6.800 3.455 1.00 1.18 O ATOM 1079 CB LEU A 71 -7.665 3.916 3.625 1.00 1.09 C ATOM 1080 CG LEU A 71 -8.575 4.172 4.844 1.00 1.21 C ATOM 1081 CD1 LEU A 71 -10.051 4.128 4.428 1.00 1.76 C ATOM 1082 CD2 LEU A 71 -8.339 3.121 5.933 1.00 2.34 C ATOM 0 H LEU A 71 -6.024 5.002 5.126 1.00 0.74 H new ATOM 0 HA LEU A 71 -6.249 4.783 2.309 1.00 0.82 H new ATOM 0 HB2 LEU A 71 -8.288 3.605 2.786 1.00 1.09 H new ATOM 0 HB3 LEU A 71 -7.002 3.082 3.856 1.00 1.09 H new ATOM 0 HG LEU A 71 -8.331 5.159 5.237 1.00 1.21 H new ATOM 0 HD11 LEU A 71 -10.680 4.310 5.299 1.00 1.76 H new ATOM 0 HD12 LEU A 71 -10.240 4.895 3.677 1.00 1.76 H new ATOM 0 HD13 LEU A 71 -10.283 3.147 4.012 1.00 1.76 H new ATOM 0 HD21 LEU A 71 -8.992 3.323 6.782 1.00 2.34 H new ATOM 0 HD22 LEU A 71 -8.557 2.130 5.535 1.00 2.34 H new ATOM 0 HD23 LEU A 71 -7.299 3.161 6.258 1.00 2.34 H new ATOM 1094 N VAL A 72 -7.346 6.863 1.525 1.00 1.30 N ATOM 1095 CA VAL A 72 -8.075 7.997 0.960 1.00 1.49 C ATOM 1096 C VAL A 72 -8.825 7.541 -0.287 1.00 1.70 C ATOM 1097 O VAL A 72 -10.055 7.494 -0.295 1.00 2.64 O ATOM 1098 CB VAL A 72 -7.121 9.164 0.652 1.00 1.83 C ATOM 1099 CG1 VAL A 72 -7.866 10.352 0.041 1.00 2.46 C ATOM 1100 CG2 VAL A 72 -6.443 9.694 1.922 1.00 2.20 C ATOM 0 H VAL A 72 -6.599 6.515 0.924 1.00 1.30 H new ATOM 0 HA VAL A 72 -8.799 8.362 1.689 1.00 1.49 H new ATOM 0 HB VAL A 72 -6.385 8.762 -0.044 1.00 1.83 H new ATOM 0 HG11 VAL A 72 -7.161 11.158 -0.163 1.00 2.46 H new ATOM 0 HG12 VAL A 72 -8.343 10.043 -0.889 1.00 2.46 H new ATOM 0 HG13 VAL A 72 -8.626 10.703 0.739 1.00 2.46 H new ATOM 0 HG21 VAL A 72 -5.777 10.517 1.663 1.00 2.20 H new ATOM 0 HG22 VAL A 72 -7.202 10.047 2.619 1.00 2.20 H new ATOM 0 HG23 VAL A 72 -5.867 8.894 2.388 1.00 2.20 H new ATOM 1110 N LYS A 73 -8.094 7.200 -1.356 1.00 1.64 N ATOM 1111 CA LYS A 73 -8.707 6.883 -2.638 1.00 1.97 C ATOM 1112 C LYS A 73 -9.579 8.083 -3.067 1.00 2.21 C ATOM 1113 O LYS A 73 -10.792 7.981 -3.187 1.00 3.25 O ATOM 1114 CB LYS A 73 -9.367 5.490 -2.487 1.00 2.57 C ATOM 1115 CG LYS A 73 -10.192 4.918 -3.646 1.00 3.40 C ATOM 1116 CD LYS A 73 -11.694 5.255 -3.651 1.00 3.67 C ATOM 1117 CE LYS A 73 -12.424 5.256 -2.290 1.00 4.23 C ATOM 1118 NZ LYS A 73 -12.256 6.533 -1.564 1.00 4.68 N ATOM 0 H LYS A 73 -7.076 7.138 -1.351 1.00 1.64 H new ATOM 0 HA LYS A 73 -8.023 6.768 -3.479 1.00 1.97 H new ATOM 0 HB2 LYS A 73 -8.575 4.775 -2.265 1.00 2.57 H new ATOM 0 HB3 LYS A 73 -10.015 5.528 -1.612 1.00 2.57 H new ATOM 0 HG2 LYS A 73 -9.759 5.274 -4.581 1.00 3.40 H new ATOM 0 HG3 LYS A 73 -10.086 3.833 -3.638 1.00 3.40 H new ATOM 0 HD2 LYS A 73 -11.817 6.240 -4.101 1.00 3.67 H new ATOM 0 HD3 LYS A 73 -12.198 4.542 -4.303 1.00 3.67 H new ATOM 0 HE2 LYS A 73 -13.486 5.068 -2.450 1.00 4.23 H new ATOM 0 HE3 LYS A 73 -12.045 4.439 -1.676 1.00 4.23 H new ATOM 0 HZ1 LYS A 73 -13.085 6.700 -0.959 1.00 4.68 H new ATOM 0 HZ2 LYS A 73 -11.401 6.487 -0.974 1.00 4.68 H new ATOM 0 HZ3 LYS A 73 -12.163 7.311 -2.248 1.00 4.68 H new ATOM 1132 N ILE A 74 -8.949 9.250 -3.247 1.00 2.89 N ATOM 1133 CA ILE A 74 -9.590 10.551 -3.472 1.00 3.94 C ATOM 1134 C ILE A 74 -10.438 10.960 -2.254 1.00 4.28 C ATOM 1135 O ILE A 74 -10.033 11.840 -1.496 1.00 5.20 O ATOM 1136 CB ILE A 74 -10.356 10.618 -4.816 1.00 4.86 C ATOM 1137 CG1 ILE A 74 -9.433 10.496 -6.045 1.00 5.97 C ATOM 1138 CG2 ILE A 74 -11.084 11.968 -4.938 1.00 5.95 C ATOM 1139 CD1 ILE A 74 -8.826 9.106 -6.266 1.00 6.54 C ATOM 0 H ILE A 74 -7.931 9.316 -3.239 1.00 2.89 H new ATOM 0 HA ILE A 74 -8.802 11.298 -3.571 1.00 3.94 H new ATOM 0 HB ILE A 74 -11.048 9.776 -4.807 1.00 4.86 H new ATOM 0 HG12 ILE A 74 -9.999 10.774 -6.934 1.00 5.97 H new ATOM 0 HG13 ILE A 74 -8.622 11.218 -5.944 1.00 5.97 H new ATOM 0 HG21 ILE A 74 -11.621 12.008 -5.886 1.00 5.95 H new ATOM 0 HG22 ILE A 74 -11.792 12.075 -4.116 1.00 5.95 H new ATOM 0 HG23 ILE A 74 -10.356 12.779 -4.899 1.00 5.95 H new ATOM 0 HD11 ILE A 74 -8.193 9.122 -7.153 1.00 6.54 H new ATOM 0 HD12 ILE A 74 -8.227 8.828 -5.398 1.00 6.54 H new ATOM 0 HD13 ILE A 74 -9.625 8.378 -6.404 1.00 6.54 H new ATOM 1151 N GLU A 75 -11.588 10.319 -2.067 1.00 4.60 N ATOM 1152 CA GLU A 75 -12.451 10.353 -0.900 1.00 5.68 C ATOM 1153 C GLU A 75 -13.272 9.073 -1.049 1.00 6.03 C ATOM 1154 O GLU A 75 -13.431 8.301 -0.075 1.00 6.90 O ATOM 1155 CB GLU A 75 -13.310 11.626 -0.893 1.00 6.60 C ATOM 1156 CG GLU A 75 -14.078 11.784 0.427 1.00 7.78 C ATOM 1157 CD GLU A 75 -14.847 13.099 0.482 1.00 9.06 C ATOM 1158 OE1 GLU A 75 -15.592 13.364 -0.485 1.00 9.35 O ATOM 1159 OE2 GLU A 75 -14.673 13.818 1.489 1.00 10.12 O ATOM 1160 OXT GLU A 75 -13.490 8.694 -2.225 1.00 6.24 O ATOM 0 H GLU A 75 -11.969 9.712 -2.793 1.00 4.60 H new ATOM 0 HA GLU A 75 -11.919 10.387 0.051 1.00 5.68 H new ATOM 0 HB2 GLU A 75 -12.673 12.496 -1.050 1.00 6.60 H new ATOM 0 HB3 GLU A 75 -14.016 11.594 -1.723 1.00 6.60 H new ATOM 0 HG2 GLU A 75 -14.772 10.952 0.545 1.00 7.78 H new ATOM 0 HG3 GLU A 75 -13.379 11.737 1.262 1.00 7.78 H new TER 1167 GLU A 75 HETATM 1168 CU CU1 A 76 13.133 6.433 2.034 1.00 0.64 CU