USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=23 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 14 THR OG1 : rot 180:sc= 0.624 USER MOD Set 1.2: A 42 ASN : amide:sc= 1.38 K(o=2,f=1) USER MOD Set 2.1: A 34 TYR OH : rot -95:sc= 0.508 USER MOD Set 2.2: A 36 SER OG : rot 120:sc= 2.14 USER MOD Set 3.1: A 29 HIS : no HE2:sc= 0.199 K(o=0.46,f=-2.3!) USER MOD Set 3.2: A 61 THR OG1 : rot 179:sc= 0.264 USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0759) USER MOD Single : A 1 MET N :NH3+ -131:sc= 1.08 (180deg=0.51) USER MOD Single : A 13 MET CE :methyl -177:sc= 0 (180deg=-0.00814) USER MOD Single : A 17 SER OG : rot 180:sc= 0.161 USER MOD Single : A 20 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.48) USER MOD Single : A 21 LYS NZ :NH3+ 150:sc= 0.911 (180deg=0.734) USER MOD Single : A 24 SER OG : rot 90:sc= 1.17 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -13:sc= 1.06 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0139) USER MOD Single : A 35 CYS SG : rot 36:sc= 0.0752 USER MOD Single : A 41 THR OG1 : rot -40:sc= 0.647 USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= 0.963 (180deg=-3.71!) USER MOD Single : A 45 HIS : no HE2:sc= 0.478 K(o=0.48,f=-8.2!) USER MOD Single : A 47 LYS NZ :NH3+ 142:sc= 1.15 (180deg=0.789) USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.13) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 56:sc= 1.38 USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.919 -10.825 -5.402 1.00 5.35 N ATOM 2 CA MET A 1 -14.862 -10.861 -6.873 1.00 3.98 C ATOM 3 C MET A 1 -14.559 -9.452 -7.373 1.00 3.06 C ATOM 4 O MET A 1 -14.733 -8.504 -6.610 1.00 4.03 O ATOM 5 CB MET A 1 -16.168 -11.399 -7.478 1.00 4.44 C ATOM 6 CG MET A 1 -16.442 -12.862 -7.097 1.00 5.37 C ATOM 7 SD MET A 1 -18.031 -13.532 -7.661 1.00 6.29 S ATOM 8 CE MET A 1 -17.853 -13.428 -9.456 1.00 6.26 C ATOM 0 H1 MET A 1 -14.334 -11.592 -5.013 1.00 5.35 H new ATOM 0 H2 MET A 1 -14.560 -9.910 -5.063 1.00 5.35 H new ATOM 0 H3 MET A 1 -15.903 -10.948 -5.090 1.00 5.35 H new ATOM 0 HA MET A 1 -14.074 -11.544 -7.190 1.00 3.98 H new ATOM 0 HB2 MET A 1 -17.000 -10.779 -7.144 1.00 4.44 H new ATOM 0 HB3 MET A 1 -16.123 -11.313 -8.564 1.00 4.44 H new ATOM 0 HG2 MET A 1 -15.642 -13.481 -7.503 1.00 5.37 H new ATOM 0 HG3 MET A 1 -16.394 -12.952 -6.012 1.00 5.37 H new ATOM 0 HE1 MET A 1 -18.700 -13.919 -9.935 1.00 6.26 H new ATOM 0 HE2 MET A 1 -17.822 -12.381 -9.758 1.00 6.26 H new ATOM 0 HE3 MET A 1 -16.929 -13.921 -9.759 1.00 6.26 H new ATOM 20 N GLY A 2 -14.083 -9.317 -8.615 1.00 2.37 N ATOM 21 CA GLY A 2 -13.525 -8.063 -9.106 1.00 2.66 C ATOM 22 C GLY A 2 -12.198 -7.757 -8.405 1.00 1.83 C ATOM 23 O GLY A 2 -11.769 -8.515 -7.534 1.00 2.12 O ATOM 0 H GLY A 2 -14.076 -10.072 -9.301 1.00 2.37 H new ATOM 0 HA2 GLY A 2 -13.369 -8.124 -10.183 1.00 2.66 H new ATOM 0 HA3 GLY A 2 -14.231 -7.251 -8.932 1.00 2.66 H new ATOM 27 N ASP A 3 -11.538 -6.663 -8.788 1.00 1.99 N ATOM 28 CA ASP A 3 -10.300 -6.191 -8.191 1.00 1.39 C ATOM 29 C ASP A 3 -10.613 -5.161 -7.103 1.00 1.32 C ATOM 30 O ASP A 3 -11.263 -4.147 -7.350 1.00 1.96 O ATOM 31 CB ASP A 3 -9.391 -5.600 -9.282 1.00 1.62 C ATOM 32 CG ASP A 3 -10.042 -4.483 -10.092 1.00 2.62 C ATOM 33 OD1 ASP A 3 -11.193 -4.694 -10.534 1.00 3.20 O ATOM 34 OD2 ASP A 3 -9.344 -3.464 -10.304 1.00 3.66 O ATOM 0 H ASP A 3 -11.866 -6.066 -9.547 1.00 1.99 H new ATOM 0 HA ASP A 3 -9.771 -7.023 -7.726 1.00 1.39 H new ATOM 0 HB2 ASP A 3 -8.484 -5.216 -8.816 1.00 1.62 H new ATOM 0 HB3 ASP A 3 -9.088 -6.398 -9.960 1.00 1.62 H new ATOM 39 N GLY A 4 -10.134 -5.408 -5.883 1.00 1.69 N ATOM 40 CA GLY A 4 -10.114 -4.405 -4.836 1.00 2.00 C ATOM 41 C GLY A 4 -8.969 -3.447 -5.128 1.00 1.68 C ATOM 42 O GLY A 4 -7.933 -3.874 -5.639 1.00 1.77 O ATOM 0 H GLY A 4 -9.751 -6.310 -5.601 1.00 1.69 H new ATOM 0 HA2 GLY A 4 -11.062 -3.868 -4.804 1.00 2.00 H new ATOM 0 HA3 GLY A 4 -9.980 -4.874 -3.861 1.00 2.00 H new ATOM 46 N VAL A 5 -9.145 -2.162 -4.810 1.00 1.67 N ATOM 47 CA VAL A 5 -8.131 -1.142 -5.019 1.00 1.41 C ATOM 48 C VAL A 5 -8.288 -0.038 -3.980 1.00 1.27 C ATOM 49 O VAL A 5 -9.392 0.491 -3.809 1.00 1.54 O ATOM 50 CB VAL A 5 -8.179 -0.609 -6.465 1.00 1.49 C ATOM 51 CG1 VAL A 5 -9.576 -0.173 -6.927 1.00 2.49 C ATOM 52 CG2 VAL A 5 -7.194 0.554 -6.655 1.00 2.43 C ATOM 0 H VAL A 5 -10.006 -1.804 -4.397 1.00 1.67 H new ATOM 0 HA VAL A 5 -7.142 -1.580 -4.885 1.00 1.41 H new ATOM 0 HB VAL A 5 -7.890 -1.455 -7.089 1.00 1.49 H new ATOM 0 HG11 VAL A 5 -9.523 0.189 -7.954 1.00 2.49 H new ATOM 0 HG12 VAL A 5 -10.258 -1.022 -6.876 1.00 2.49 H new ATOM 0 HG13 VAL A 5 -9.941 0.624 -6.280 1.00 2.49 H new ATOM 0 HG21 VAL A 5 -7.247 0.912 -7.683 1.00 2.43 H new ATOM 0 HG22 VAL A 5 -7.453 1.365 -5.975 1.00 2.43 H new ATOM 0 HG23 VAL A 5 -6.181 0.212 -6.442 1.00 2.43 H new ATOM 62 N LEU A 6 -7.193 0.318 -3.302 1.00 1.02 N ATOM 63 CA LEU A 6 -7.122 1.517 -2.481 1.00 0.97 C ATOM 64 C LEU A 6 -5.791 2.217 -2.737 1.00 0.81 C ATOM 65 O LEU A 6 -4.751 1.562 -2.819 1.00 0.88 O ATOM 66 CB LEU A 6 -7.271 1.204 -0.984 1.00 1.30 C ATOM 67 CG LEU A 6 -8.707 0.857 -0.553 1.00 1.47 C ATOM 68 CD1 LEU A 6 -8.956 -0.653 -0.557 1.00 2.19 C ATOM 69 CD2 LEU A 6 -8.965 1.382 0.866 1.00 2.34 C ATOM 0 H LEU A 6 -6.329 -0.225 -3.311 1.00 1.02 H new ATOM 0 HA LEU A 6 -7.952 2.167 -2.758 1.00 0.97 H new ATOM 0 HB2 LEU A 6 -6.616 0.370 -0.732 1.00 1.30 H new ATOM 0 HB3 LEU A 6 -6.928 2.064 -0.408 1.00 1.30 H new ATOM 0 HG LEU A 6 -9.380 1.326 -1.271 1.00 1.47 H new ATOM 0 HD11 LEU A 6 -9.981 -0.853 -0.247 1.00 2.19 H new ATOM 0 HD12 LEU A 6 -8.798 -1.045 -1.562 1.00 2.19 H new ATOM 0 HD13 LEU A 6 -8.266 -1.137 0.134 1.00 2.19 H new ATOM 0 HD21 LEU A 6 -9.983 1.134 1.166 1.00 2.34 H new ATOM 0 HD22 LEU A 6 -8.260 0.922 1.558 1.00 2.34 H new ATOM 0 HD23 LEU A 6 -8.836 2.464 0.883 1.00 2.34 H new ATOM 81 N GLU A 7 -5.840 3.551 -2.829 1.00 0.81 N ATOM 82 CA GLU A 7 -4.667 4.397 -2.732 1.00 0.84 C ATOM 83 C GLU A 7 -4.515 4.806 -1.268 1.00 0.87 C ATOM 84 O GLU A 7 -5.134 5.767 -0.808 1.00 1.39 O ATOM 85 CB GLU A 7 -4.746 5.585 -3.696 1.00 0.96 C ATOM 86 CG GLU A 7 -5.028 5.111 -5.130 1.00 0.82 C ATOM 87 CD GLU A 7 -4.382 6.043 -6.138 1.00 1.56 C ATOM 88 OE1 GLU A 7 -4.602 7.270 -6.071 1.00 2.14 O ATOM 89 OE2 GLU A 7 -3.551 5.555 -6.938 1.00 2.70 O ATOM 0 H GLU A 7 -6.707 4.068 -2.974 1.00 0.81 H new ATOM 0 HA GLU A 7 -3.772 3.857 -3.040 1.00 0.84 H new ATOM 0 HB2 GLU A 7 -5.532 6.268 -3.374 1.00 0.96 H new ATOM 0 HB3 GLU A 7 -3.809 6.142 -3.671 1.00 0.96 H new ATOM 0 HG2 GLU A 7 -4.646 4.099 -5.266 1.00 0.82 H new ATOM 0 HG3 GLU A 7 -6.104 5.072 -5.301 1.00 0.82 H new ATOM 96 N LEU A 8 -3.716 4.029 -0.539 1.00 0.71 N ATOM 97 CA LEU A 8 -3.338 4.318 0.831 1.00 0.88 C ATOM 98 C LEU A 8 -2.220 5.351 0.744 1.00 0.74 C ATOM 99 O LEU A 8 -1.143 5.066 0.221 1.00 0.79 O ATOM 100 CB LEU A 8 -2.904 3.022 1.536 1.00 1.13 C ATOM 101 CG LEU A 8 -4.109 2.090 1.749 1.00 1.42 C ATOM 102 CD1 LEU A 8 -3.688 0.622 1.666 1.00 1.94 C ATOM 103 CD2 LEU A 8 -4.749 2.335 3.118 1.00 2.82 C ATOM 0 H LEU A 8 -3.308 3.165 -0.897 1.00 0.71 H new ATOM 0 HA LEU A 8 -4.162 4.716 1.424 1.00 0.88 H new ATOM 0 HB2 LEU A 8 -2.146 2.514 0.940 1.00 1.13 H new ATOM 0 HB3 LEU A 8 -2.447 3.260 2.497 1.00 1.13 H new ATOM 0 HG LEU A 8 -4.829 2.308 0.960 1.00 1.42 H new ATOM 0 HD11 LEU A 8 -4.559 -0.015 1.820 1.00 1.94 H new ATOM 0 HD12 LEU A 8 -3.260 0.421 0.684 1.00 1.94 H new ATOM 0 HD13 LEU A 8 -2.944 0.413 2.435 1.00 1.94 H new ATOM 0 HD21 LEU A 8 -5.599 1.665 3.247 1.00 2.82 H new ATOM 0 HD22 LEU A 8 -4.015 2.146 3.902 1.00 2.82 H new ATOM 0 HD23 LEU A 8 -5.089 3.369 3.181 1.00 2.82 H new ATOM 115 N VAL A 9 -2.491 6.574 1.192 1.00 0.66 N ATOM 116 CA VAL A 9 -1.532 7.661 1.122 1.00 0.62 C ATOM 117 C VAL A 9 -0.555 7.452 2.275 1.00 0.50 C ATOM 118 O VAL A 9 -0.905 7.661 3.436 1.00 0.59 O ATOM 119 CB VAL A 9 -2.240 9.027 1.143 1.00 0.83 C ATOM 120 CG1 VAL A 9 -1.226 10.155 0.912 1.00 1.13 C ATOM 121 CG2 VAL A 9 -3.306 9.103 0.042 1.00 1.34 C ATOM 0 H VAL A 9 -3.383 6.834 1.613 1.00 0.66 H new ATOM 0 HA VAL A 9 -0.980 7.659 0.182 1.00 0.62 H new ATOM 0 HB VAL A 9 -2.712 9.141 2.119 1.00 0.83 H new ATOM 0 HG11 VAL A 9 -1.740 11.116 0.929 1.00 1.13 H new ATOM 0 HG12 VAL A 9 -0.472 10.133 1.699 1.00 1.13 H new ATOM 0 HG13 VAL A 9 -0.744 10.019 -0.056 1.00 1.13 H new ATOM 0 HG21 VAL A 9 -3.794 10.077 0.075 1.00 1.34 H new ATOM 0 HG22 VAL A 9 -2.834 8.966 -0.931 1.00 1.34 H new ATOM 0 HG23 VAL A 9 -4.048 8.320 0.199 1.00 1.34 H new ATOM 131 N VAL A 10 0.651 6.977 1.962 1.00 0.49 N ATOM 132 CA VAL A 10 1.649 6.571 2.926 1.00 0.45 C ATOM 133 C VAL A 10 2.336 7.818 3.465 1.00 0.48 C ATOM 134 O VAL A 10 3.453 8.171 3.081 1.00 0.68 O ATOM 135 CB VAL A 10 2.606 5.536 2.308 1.00 0.68 C ATOM 136 CG1 VAL A 10 1.907 4.174 2.232 1.00 0.86 C ATOM 137 CG2 VAL A 10 3.139 5.901 0.916 1.00 0.97 C ATOM 0 H VAL A 10 0.961 6.864 0.997 1.00 0.49 H new ATOM 0 HA VAL A 10 1.194 6.062 3.776 1.00 0.45 H new ATOM 0 HB VAL A 10 3.474 5.510 2.967 1.00 0.68 H new ATOM 0 HG11 VAL A 10 2.585 3.441 1.794 1.00 0.86 H new ATOM 0 HG12 VAL A 10 1.625 3.854 3.235 1.00 0.86 H new ATOM 0 HG13 VAL A 10 1.014 4.257 1.613 1.00 0.86 H new ATOM 0 HG21 VAL A 10 3.804 5.113 0.563 1.00 0.97 H new ATOM 0 HG22 VAL A 10 2.304 6.009 0.223 1.00 0.97 H new ATOM 0 HG23 VAL A 10 3.688 6.841 0.972 1.00 0.97 H new ATOM 147 N ARG A 11 1.663 8.467 4.412 1.00 0.59 N ATOM 148 CA ARG A 11 2.158 9.684 5.017 1.00 0.87 C ATOM 149 C ARG A 11 3.260 9.269 5.988 1.00 1.05 C ATOM 150 O ARG A 11 2.988 8.863 7.116 1.00 1.62 O ATOM 151 CB ARG A 11 1.013 10.405 5.739 1.00 1.21 C ATOM 152 CG ARG A 11 0.103 11.171 4.770 1.00 1.87 C ATOM 153 CD ARG A 11 -1.158 11.729 5.453 1.00 2.35 C ATOM 154 NE ARG A 11 -0.877 12.244 6.806 1.00 2.56 N ATOM 155 CZ ARG A 11 -1.024 11.570 7.962 1.00 3.13 C ATOM 156 NH1 ARG A 11 -1.686 10.410 8.011 1.00 3.67 N ATOM 157 NH2 ARG A 11 -0.474 12.061 9.077 1.00 4.13 N ATOM 0 H ARG A 11 0.761 8.158 4.776 1.00 0.59 H new ATOM 0 HA ARG A 11 2.553 10.377 4.275 1.00 0.87 H new ATOM 0 HB2 ARG A 11 0.420 9.677 6.292 1.00 1.21 H new ATOM 0 HB3 ARG A 11 1.428 11.099 6.470 1.00 1.21 H new ATOM 0 HG2 ARG A 11 0.664 11.993 4.325 1.00 1.87 H new ATOM 0 HG3 ARG A 11 -0.193 10.509 3.956 1.00 1.87 H new ATOM 0 HD2 ARG A 11 -1.577 12.528 4.842 1.00 2.35 H new ATOM 0 HD3 ARG A 11 -1.913 10.945 5.514 1.00 2.35 H new ATOM 0 HE ARG A 11 -0.538 13.204 6.872 1.00 2.56 H new ATOM 0 HH11 ARG A 11 -2.092 10.018 7.161 1.00 3.67 H new ATOM 0 HH12 ARG A 11 -1.785 9.916 8.898 1.00 3.67 H new ATOM 0 HH21 ARG A 11 0.049 12.936 9.045 1.00 4.13 H new ATOM 0 HH22 ARG A 11 -0.578 11.561 9.960 1.00 4.13 H new ATOM 171 N GLY A 12 4.504 9.322 5.511 1.00 0.85 N ATOM 172 CA GLY A 12 5.677 9.013 6.307 1.00 1.00 C ATOM 173 C GLY A 12 6.935 9.060 5.450 1.00 1.02 C ATOM 174 O GLY A 12 7.858 9.812 5.753 1.00 1.51 O ATOM 0 H GLY A 12 4.721 9.584 4.549 1.00 0.85 H new ATOM 0 HA2 GLY A 12 5.763 9.724 7.128 1.00 1.00 H new ATOM 0 HA3 GLY A 12 5.571 8.024 6.752 1.00 1.00 H new ATOM 178 N MET A 13 6.979 8.262 4.380 1.00 0.80 N ATOM 179 CA MET A 13 8.147 8.191 3.524 1.00 1.11 C ATOM 180 C MET A 13 8.042 9.230 2.425 1.00 0.96 C ATOM 181 O MET A 13 6.938 9.634 2.059 1.00 1.30 O ATOM 182 CB MET A 13 8.285 6.794 2.920 1.00 1.69 C ATOM 183 CG MET A 13 7.279 6.453 1.810 1.00 1.38 C ATOM 184 SD MET A 13 7.818 6.877 0.127 1.00 2.13 S ATOM 185 CE MET A 13 6.354 6.396 -0.812 1.00 1.16 C ATOM 0 H MET A 13 6.211 7.656 4.092 1.00 0.80 H new ATOM 0 HA MET A 13 9.034 8.394 4.123 1.00 1.11 H new ATOM 0 HB2 MET A 13 9.293 6.688 2.518 1.00 1.69 H new ATOM 0 HB3 MET A 13 8.182 6.060 3.719 1.00 1.69 H new ATOM 0 HG2 MET A 13 7.067 5.385 1.849 1.00 1.38 H new ATOM 0 HG3 MET A 13 6.343 6.972 2.017 1.00 1.38 H new ATOM 0 HE1 MET A 13 6.540 6.543 -1.876 1.00 1.16 H new ATOM 0 HE2 MET A 13 6.130 5.346 -0.624 1.00 1.16 H new ATOM 0 HE3 MET A 13 5.507 7.009 -0.504 1.00 1.16 H new ATOM 195 N THR A 14 9.186 9.611 1.858 1.00 1.08 N ATOM 196 CA THR A 14 9.209 10.447 0.671 1.00 1.53 C ATOM 197 C THR A 14 10.514 10.205 -0.106 1.00 1.13 C ATOM 198 O THR A 14 11.084 11.123 -0.692 1.00 1.10 O ATOM 199 CB THR A 14 8.917 11.905 1.085 1.00 2.79 C ATOM 200 OG1 THR A 14 8.443 12.657 -0.016 1.00 4.06 O ATOM 201 CG2 THR A 14 10.089 12.591 1.795 1.00 3.29 C ATOM 0 H THR A 14 10.108 9.350 2.207 1.00 1.08 H new ATOM 0 HA THR A 14 8.423 10.189 -0.038 1.00 1.53 H new ATOM 0 HB THR A 14 8.124 11.861 1.832 1.00 2.79 H new ATOM 0 HG1 THR A 14 8.263 13.577 0.269 1.00 4.06 H new ATOM 0 HG21 THR A 14 9.809 13.612 2.055 1.00 3.29 H new ATOM 0 HG22 THR A 14 10.338 12.040 2.702 1.00 3.29 H new ATOM 0 HG23 THR A 14 10.955 12.609 1.133 1.00 3.29 H new ATOM 209 N CYS A 15 10.996 8.954 -0.112 1.00 1.05 N ATOM 210 CA CYS A 15 12.315 8.599 -0.617 1.00 1.00 C ATOM 211 C CYS A 15 12.286 7.197 -1.231 1.00 0.86 C ATOM 212 O CYS A 15 11.683 6.282 -0.666 1.00 0.77 O ATOM 213 CB CYS A 15 13.347 8.734 0.513 1.00 1.57 C ATOM 214 SG CYS A 15 12.761 8.406 2.202 1.00 2.57 S ATOM 0 H CYS A 15 10.468 8.155 0.240 1.00 1.05 H new ATOM 0 HA CYS A 15 12.611 9.282 -1.413 1.00 1.00 H new ATOM 0 HB2 CYS A 15 14.173 8.054 0.302 1.00 1.57 H new ATOM 0 HB3 CYS A 15 13.752 9.746 0.484 1.00 1.57 H new ATOM 219 N ALA A 16 12.940 7.051 -2.394 1.00 0.91 N ATOM 220 CA ALA A 16 13.021 5.832 -3.201 1.00 0.86 C ATOM 221 C ALA A 16 13.230 4.589 -2.340 1.00 0.74 C ATOM 222 O ALA A 16 12.592 3.558 -2.546 1.00 0.71 O ATOM 223 CB ALA A 16 14.161 5.959 -4.213 1.00 1.01 C ATOM 0 H ALA A 16 13.453 7.825 -2.816 1.00 0.91 H new ATOM 0 HA ALA A 16 12.071 5.716 -3.722 1.00 0.86 H new ATOM 0 HB1 ALA A 16 14.219 5.050 -4.812 1.00 1.01 H new ATOM 0 HB2 ALA A 16 13.975 6.812 -4.865 1.00 1.01 H new ATOM 0 HB3 ALA A 16 15.103 6.105 -3.684 1.00 1.01 H new ATOM 229 N SER A 17 14.121 4.714 -1.358 1.00 0.73 N ATOM 230 CA SER A 17 14.355 3.755 -0.305 1.00 0.75 C ATOM 231 C SER A 17 13.064 3.056 0.129 1.00 0.55 C ATOM 232 O SER A 17 12.975 1.837 0.116 1.00 0.65 O ATOM 233 CB SER A 17 15.010 4.519 0.853 1.00 1.03 C ATOM 234 OG SER A 17 15.913 5.476 0.323 1.00 2.03 O ATOM 0 H SER A 17 14.725 5.532 -1.281 1.00 0.73 H new ATOM 0 HA SER A 17 15.009 2.956 -0.654 1.00 0.75 H new ATOM 0 HB2 SER A 17 14.249 5.014 1.456 1.00 1.03 H new ATOM 0 HB3 SER A 17 15.537 3.827 1.510 1.00 1.03 H new ATOM 0 HG SER A 17 16.335 5.970 1.057 1.00 2.03 H new ATOM 240 N CYS A 18 12.064 3.809 0.576 1.00 0.57 N ATOM 241 CA CYS A 18 10.818 3.223 1.042 1.00 0.66 C ATOM 242 C CYS A 18 9.920 2.708 -0.080 1.00 0.56 C ATOM 243 O CYS A 18 9.134 1.790 0.141 1.00 0.63 O ATOM 244 CB CYS A 18 10.126 4.207 1.961 1.00 1.04 C ATOM 245 SG CYS A 18 11.182 4.658 3.366 1.00 1.44 S ATOM 0 H CYS A 18 12.095 4.827 0.624 1.00 0.57 H new ATOM 0 HA CYS A 18 11.055 2.321 1.607 1.00 0.66 H new ATOM 0 HB2 CYS A 18 9.860 5.104 1.402 1.00 1.04 H new ATOM 0 HB3 CYS A 18 9.196 3.772 2.328 1.00 1.04 H new ATOM 250 N VAL A 19 10.021 3.291 -1.273 1.00 0.50 N ATOM 251 CA VAL A 19 9.219 2.881 -2.419 1.00 0.47 C ATOM 252 C VAL A 19 9.462 1.393 -2.653 1.00 0.48 C ATOM 253 O VAL A 19 8.526 0.589 -2.622 1.00 0.52 O ATOM 254 CB VAL A 19 9.588 3.730 -3.651 1.00 0.48 C ATOM 255 CG1 VAL A 19 8.729 3.429 -4.884 1.00 0.53 C ATOM 256 CG2 VAL A 19 9.446 5.213 -3.316 1.00 0.58 C ATOM 0 H VAL A 19 10.661 4.060 -1.470 1.00 0.50 H new ATOM 0 HA VAL A 19 8.157 3.041 -2.233 1.00 0.47 H new ATOM 0 HB VAL A 19 10.618 3.472 -3.898 1.00 0.48 H new ATOM 0 HG11 VAL A 19 9.046 4.064 -5.712 1.00 0.53 H new ATOM 0 HG12 VAL A 19 8.848 2.382 -5.163 1.00 0.53 H new ATOM 0 HG13 VAL A 19 7.682 3.627 -4.655 1.00 0.53 H new ATOM 0 HG21 VAL A 19 9.708 5.810 -4.190 1.00 0.58 H new ATOM 0 HG22 VAL A 19 8.416 5.424 -3.028 1.00 0.58 H new ATOM 0 HG23 VAL A 19 10.113 5.465 -2.491 1.00 0.58 H new ATOM 266 N HIS A 20 10.737 1.028 -2.823 1.00 0.50 N ATOM 267 CA HIS A 20 11.093 -0.346 -3.080 1.00 0.57 C ATOM 268 C HIS A 20 10.731 -1.261 -1.903 1.00 0.54 C ATOM 269 O HIS A 20 10.344 -2.411 -2.123 1.00 0.57 O ATOM 270 CB HIS A 20 12.519 -0.458 -3.625 1.00 0.72 C ATOM 271 CG HIS A 20 13.656 0.072 -2.791 1.00 0.77 C ATOM 272 ND1 HIS A 20 14.761 0.725 -3.289 1.00 1.00 N ATOM 273 CD2 HIS A 20 13.918 -0.234 -1.485 1.00 0.76 C ATOM 274 CE1 HIS A 20 15.658 0.824 -2.293 1.00 1.11 C ATOM 275 NE2 HIS A 20 15.191 0.253 -1.172 1.00 0.95 N ATOM 0 H HIS A 20 11.527 1.672 -2.785 1.00 0.50 H new ATOM 0 HA HIS A 20 10.476 -0.735 -3.890 1.00 0.57 H new ATOM 0 HB2 HIS A 20 12.716 -1.512 -3.821 1.00 0.72 H new ATOM 0 HB3 HIS A 20 12.547 0.055 -4.586 1.00 0.72 H new ATOM 0 HD2 HIS A 20 13.257 -0.760 -0.812 1.00 0.76 H new ATOM 0 HE1 HIS A 20 16.624 1.299 -2.383 1.00 1.11 H new ATOM 0 HE2 HIS A 20 15.668 0.187 -0.273 1.00 0.95 H new ATOM 283 N LYS A 21 10.794 -0.760 -0.658 1.00 0.54 N ATOM 284 CA LYS A 21 10.336 -1.530 0.495 1.00 0.62 C ATOM 285 C LYS A 21 8.860 -1.851 0.304 1.00 0.59 C ATOM 286 O LYS A 21 8.472 -3.011 0.394 1.00 0.68 O ATOM 287 CB LYS A 21 10.492 -0.784 1.831 1.00 0.81 C ATOM 288 CG LYS A 21 11.931 -0.485 2.266 1.00 1.00 C ATOM 289 CD LYS A 21 11.893 0.427 3.509 1.00 1.74 C ATOM 290 CE LYS A 21 13.128 1.333 3.628 1.00 2.99 C ATOM 291 NZ LYS A 21 12.853 2.538 4.445 1.00 3.96 N ATOM 0 H LYS A 21 11.155 0.167 -0.432 1.00 0.54 H new ATOM 0 HA LYS A 21 10.955 -2.425 0.547 1.00 0.62 H new ATOM 0 HB2 LYS A 21 9.950 0.159 1.764 1.00 0.81 H new ATOM 0 HB3 LYS A 21 10.012 -1.373 2.612 1.00 0.81 H new ATOM 0 HG2 LYS A 21 12.457 -1.412 2.494 1.00 1.00 H new ATOM 0 HG3 LYS A 21 12.477 0.001 1.457 1.00 1.00 H new ATOM 0 HD2 LYS A 21 10.997 1.047 3.471 1.00 1.74 H new ATOM 0 HD3 LYS A 21 11.815 -0.191 4.404 1.00 1.74 H new ATOM 0 HE2 LYS A 21 13.949 0.771 4.074 1.00 2.99 H new ATOM 0 HE3 LYS A 21 13.453 1.636 2.633 1.00 2.99 H new ATOM 0 HZ1 LYS A 21 13.726 2.841 4.922 1.00 3.96 H new ATOM 0 HZ2 LYS A 21 12.511 3.304 3.830 1.00 3.96 H new ATOM 0 HZ3 LYS A 21 12.128 2.317 5.157 1.00 3.96 H new ATOM 305 N ILE A 22 8.037 -0.823 0.074 1.00 0.51 N ATOM 306 CA ILE A 22 6.594 -0.971 0.032 1.00 0.44 C ATOM 307 C ILE A 22 6.227 -1.994 -1.033 1.00 0.45 C ATOM 308 O ILE A 22 5.567 -2.982 -0.720 1.00 0.51 O ATOM 309 CB ILE A 22 5.899 0.390 -0.164 1.00 0.43 C ATOM 310 CG1 ILE A 22 5.978 1.177 1.148 1.00 0.58 C ATOM 311 CG2 ILE A 22 4.421 0.182 -0.547 1.00 0.80 C ATOM 312 CD1 ILE A 22 5.683 2.675 1.033 1.00 0.60 C ATOM 0 H ILE A 22 8.360 0.131 -0.087 1.00 0.51 H new ATOM 0 HA ILE A 22 6.232 -1.346 0.989 1.00 0.44 H new ATOM 0 HB ILE A 22 6.396 0.939 -0.964 1.00 0.43 H new ATOM 0 HG12 ILE A 22 5.276 0.739 1.858 1.00 0.58 H new ATOM 0 HG13 ILE A 22 6.976 1.051 1.568 1.00 0.58 H new ATOM 0 HG21 ILE A 22 3.940 1.151 -0.683 1.00 0.80 H new ATOM 0 HG22 ILE A 22 4.362 -0.386 -1.476 1.00 0.80 H new ATOM 0 HG23 ILE A 22 3.913 -0.367 0.246 1.00 0.80 H new ATOM 0 HD11 ILE A 22 5.765 3.139 2.016 1.00 0.60 H new ATOM 0 HD12 ILE A 22 6.400 3.136 0.353 1.00 0.60 H new ATOM 0 HD13 ILE A 22 4.674 2.819 0.648 1.00 0.60 H new ATOM 324 N GLU A 23 6.652 -1.783 -2.279 1.00 0.50 N ATOM 325 CA GLU A 23 6.228 -2.673 -3.347 1.00 0.56 C ATOM 326 C GLU A 23 6.686 -4.110 -3.089 1.00 0.56 C ATOM 327 O GLU A 23 5.863 -5.025 -3.095 1.00 0.58 O ATOM 328 CB GLU A 23 6.636 -2.113 -4.708 1.00 0.72 C ATOM 329 CG GLU A 23 8.143 -1.998 -4.936 1.00 2.31 C ATOM 330 CD GLU A 23 8.464 -1.127 -6.148 1.00 2.29 C ATOM 331 OE1 GLU A 23 7.528 -0.885 -6.942 1.00 2.27 O ATOM 332 OE2 GLU A 23 9.639 -0.718 -6.255 1.00 3.29 O ATOM 0 H GLU A 23 7.272 -1.025 -2.564 1.00 0.50 H new ATOM 0 HA GLU A 23 5.139 -2.724 -3.363 1.00 0.56 H new ATOM 0 HB2 GLU A 23 6.214 -2.748 -5.486 1.00 0.72 H new ATOM 0 HB3 GLU A 23 6.190 -1.125 -4.826 1.00 0.72 H new ATOM 0 HG2 GLU A 23 8.614 -1.575 -4.049 1.00 2.31 H new ATOM 0 HG3 GLU A 23 8.567 -2.992 -5.079 1.00 2.31 H new ATOM 339 N SER A 24 7.972 -4.313 -2.783 1.00 0.60 N ATOM 340 CA SER A 24 8.487 -5.641 -2.466 1.00 0.67 C ATOM 341 C SER A 24 7.667 -6.277 -1.338 1.00 0.68 C ATOM 342 O SER A 24 7.193 -7.408 -1.450 1.00 0.80 O ATOM 343 CB SER A 24 9.967 -5.556 -2.080 1.00 0.81 C ATOM 344 OG SER A 24 10.710 -4.930 -3.106 1.00 1.58 O ATOM 0 H SER A 24 8.672 -3.572 -2.749 1.00 0.60 H new ATOM 0 HA SER A 24 8.397 -6.273 -3.350 1.00 0.67 H new ATOM 0 HB2 SER A 24 10.075 -4.996 -1.151 1.00 0.81 H new ATOM 0 HB3 SER A 24 10.359 -6.556 -1.897 1.00 0.81 H new ATOM 0 HG SER A 24 10.732 -3.963 -2.950 1.00 1.58 H new ATOM 350 N SER A 25 7.481 -5.523 -0.255 1.00 0.62 N ATOM 351 CA SER A 25 6.756 -5.961 0.927 1.00 0.72 C ATOM 352 C SER A 25 5.323 -6.363 0.554 1.00 0.68 C ATOM 353 O SER A 25 4.819 -7.388 1.007 1.00 0.80 O ATOM 354 CB SER A 25 6.820 -4.848 1.983 1.00 0.88 C ATOM 355 OG SER A 25 6.240 -5.274 3.201 1.00 1.32 O ATOM 0 H SER A 25 7.840 -4.571 -0.178 1.00 0.62 H new ATOM 0 HA SER A 25 7.215 -6.852 1.356 1.00 0.72 H new ATOM 0 HB2 SER A 25 7.858 -4.560 2.151 1.00 0.88 H new ATOM 0 HB3 SER A 25 6.299 -3.963 1.617 1.00 0.88 H new ATOM 0 HG SER A 25 6.293 -4.550 3.859 1.00 1.32 H new ATOM 361 N LEU A 26 4.669 -5.586 -0.312 1.00 0.64 N ATOM 362 CA LEU A 26 3.321 -5.887 -0.761 1.00 0.73 C ATOM 363 C LEU A 26 3.281 -7.132 -1.645 1.00 0.70 C ATOM 364 O LEU A 26 2.431 -7.991 -1.428 1.00 0.79 O ATOM 365 CB LEU A 26 2.684 -4.664 -1.428 1.00 0.80 C ATOM 366 CG LEU A 26 1.870 -3.815 -0.437 1.00 1.07 C ATOM 367 CD1 LEU A 26 0.526 -4.480 -0.113 1.00 2.10 C ATOM 368 CD2 LEU A 26 2.593 -3.488 0.876 1.00 1.20 C ATOM 0 H LEU A 26 5.062 -4.736 -0.716 1.00 0.64 H new ATOM 0 HA LEU A 26 2.717 -6.124 0.115 1.00 0.73 H new ATOM 0 HB2 LEU A 26 3.465 -4.048 -1.874 1.00 0.80 H new ATOM 0 HB3 LEU A 26 2.035 -4.993 -2.240 1.00 0.80 H new ATOM 0 HG LEU A 26 1.717 -2.868 -0.955 1.00 1.07 H new ATOM 0 HD11 LEU A 26 -0.028 -3.858 0.590 1.00 2.10 H new ATOM 0 HD12 LEU A 26 -0.053 -4.596 -1.029 1.00 2.10 H new ATOM 0 HD13 LEU A 26 0.702 -5.460 0.331 1.00 2.10 H new ATOM 0 HD21 LEU A 26 1.941 -2.887 1.510 1.00 1.20 H new ATOM 0 HD22 LEU A 26 2.848 -4.414 1.392 1.00 1.20 H new ATOM 0 HD23 LEU A 26 3.504 -2.931 0.660 1.00 1.20 H new ATOM 380 N THR A 27 4.185 -7.258 -2.621 1.00 0.68 N ATOM 381 CA THR A 27 4.195 -8.421 -3.512 1.00 0.79 C ATOM 382 C THR A 27 4.237 -9.756 -2.753 1.00 1.07 C ATOM 383 O THR A 27 3.695 -10.752 -3.229 1.00 2.31 O ATOM 384 CB THR A 27 5.308 -8.336 -4.566 1.00 1.15 C ATOM 385 OG1 THR A 27 6.585 -8.191 -3.982 1.00 2.23 O ATOM 386 CG2 THR A 27 5.060 -7.198 -5.561 1.00 1.15 C ATOM 0 H THR A 27 4.916 -6.573 -2.813 1.00 0.68 H new ATOM 0 HA THR A 27 3.243 -8.396 -4.043 1.00 0.79 H new ATOM 0 HB THR A 27 5.287 -9.283 -5.106 1.00 1.15 H new ATOM 0 HG1 THR A 27 6.487 -7.970 -3.032 1.00 2.23 H new ATOM 0 HG21 THR A 27 5.869 -7.170 -6.291 1.00 1.15 H new ATOM 0 HG22 THR A 27 4.113 -7.364 -6.075 1.00 1.15 H new ATOM 0 HG23 THR A 27 5.021 -6.249 -5.026 1.00 1.15 H new ATOM 394 N LYS A 28 4.852 -9.787 -1.565 1.00 0.99 N ATOM 395 CA LYS A 28 4.867 -10.958 -0.707 1.00 1.10 C ATOM 396 C LYS A 28 3.447 -11.421 -0.335 1.00 0.83 C ATOM 397 O LYS A 28 3.231 -12.618 -0.142 1.00 0.96 O ATOM 398 CB LYS A 28 5.769 -10.654 0.502 1.00 1.43 C ATOM 399 CG LYS A 28 5.425 -11.485 1.735 1.00 2.43 C ATOM 400 CD LYS A 28 6.480 -11.276 2.830 1.00 2.72 C ATOM 401 CE LYS A 28 6.060 -11.905 4.166 1.00 4.02 C ATOM 402 NZ LYS A 28 5.818 -13.358 4.059 1.00 5.60 N ATOM 0 H LYS A 28 5.355 -8.989 -1.177 1.00 0.99 H new ATOM 0 HA LYS A 28 5.288 -11.812 -1.237 1.00 1.10 H new ATOM 0 HB2 LYS A 28 6.808 -10.837 0.227 1.00 1.43 H new ATOM 0 HB3 LYS A 28 5.687 -9.596 0.751 1.00 1.43 H new ATOM 0 HG2 LYS A 28 4.441 -11.202 2.110 1.00 2.43 H new ATOM 0 HG3 LYS A 28 5.373 -12.540 1.468 1.00 2.43 H new ATOM 0 HD2 LYS A 28 7.427 -11.710 2.508 1.00 2.72 H new ATOM 0 HD3 LYS A 28 6.650 -10.208 2.970 1.00 2.72 H new ATOM 0 HE2 LYS A 28 6.837 -11.724 4.909 1.00 4.02 H new ATOM 0 HE3 LYS A 28 5.155 -11.415 4.525 1.00 4.02 H new ATOM 0 HZ1 LYS A 28 5.620 -13.747 5.003 1.00 5.60 H new ATOM 0 HZ2 LYS A 28 5.003 -13.529 3.436 1.00 5.60 H new ATOM 0 HZ3 LYS A 28 6.660 -13.822 3.662 1.00 5.60 H new ATOM 416 N HIS A 29 2.475 -10.512 -0.203 1.00 0.74 N ATOM 417 CA HIS A 29 1.088 -10.917 -0.026 1.00 1.03 C ATOM 418 C HIS A 29 0.561 -11.446 -1.359 1.00 1.17 C ATOM 419 O HIS A 29 0.248 -10.639 -2.233 1.00 1.55 O ATOM 420 CB HIS A 29 0.208 -9.736 0.409 1.00 1.53 C ATOM 421 CG HIS A 29 0.452 -9.228 1.803 1.00 0.81 C ATOM 422 ND1 HIS A 29 -0.330 -9.503 2.904 1.00 1.94 N ATOM 423 CD2 HIS A 29 1.282 -8.194 2.137 1.00 1.11 C ATOM 424 CE1 HIS A 29 0.024 -8.646 3.878 1.00 3.03 C ATOM 425 NE2 HIS A 29 1.006 -7.836 3.456 1.00 2.55 N ATOM 0 H HIS A 29 2.626 -9.503 -0.216 1.00 0.74 H new ATOM 0 HA HIS A 29 1.050 -11.682 0.750 1.00 1.03 H new ATOM 0 HB2 HIS A 29 0.361 -8.914 -0.291 1.00 1.53 H new ATOM 0 HB3 HIS A 29 -0.837 -10.034 0.327 1.00 1.53 H new ATOM 0 HD1 HIS A 29 -1.047 -10.225 2.968 1.00 1.94 H new ATOM 0 HD2 HIS A 29 2.019 -7.736 1.494 1.00 1.11 H new ATOM 0 HE1 HIS A 29 -0.420 -8.614 4.862 1.00 3.03 H new ATOM 433 N ARG A 30 0.383 -12.772 -1.484 1.00 1.33 N ATOM 434 CA ARG A 30 -0.353 -13.377 -2.600 1.00 1.66 C ATOM 435 C ARG A 30 -1.532 -12.489 -2.956 1.00 1.86 C ATOM 436 O ARG A 30 -1.602 -12.032 -4.089 1.00 3.55 O ATOM 437 CB ARG A 30 -0.812 -14.814 -2.275 1.00 1.93 C ATOM 438 CG ARG A 30 -2.031 -15.378 -3.052 1.00 2.77 C ATOM 439 CD ARG A 30 -1.942 -15.449 -4.593 1.00 4.25 C ATOM 440 NE ARG A 30 -2.324 -14.185 -5.253 1.00 5.71 N ATOM 441 CZ ARG A 30 -3.558 -13.703 -5.500 1.00 7.02 C ATOM 442 NH1 ARG A 30 -4.627 -14.497 -5.427 1.00 7.09 N ATOM 443 NH2 ARG A 30 -3.706 -12.403 -5.784 1.00 8.65 N ATOM 0 H ARG A 30 0.745 -13.451 -0.814 1.00 1.33 H new ATOM 0 HA ARG A 30 0.314 -13.454 -3.459 1.00 1.66 H new ATOM 0 HB2 ARG A 30 0.032 -15.482 -2.446 1.00 1.93 H new ATOM 0 HB3 ARG A 30 -1.043 -14.859 -1.211 1.00 1.93 H new ATOM 0 HG2 ARG A 30 -2.225 -16.385 -2.682 1.00 2.77 H new ATOM 0 HG3 ARG A 30 -2.900 -14.771 -2.796 1.00 2.77 H new ATOM 0 HD2 ARG A 30 -0.923 -15.709 -4.881 1.00 4.25 H new ATOM 0 HD3 ARG A 30 -2.589 -16.250 -4.952 1.00 4.25 H new ATOM 0 HE ARG A 30 -1.550 -13.598 -5.564 1.00 5.71 H new ATOM 0 HH11 ARG A 30 -4.516 -15.481 -5.182 1.00 7.09 H new ATOM 0 HH12 ARG A 30 -5.556 -14.120 -5.616 1.00 7.09 H new ATOM 0 HH21 ARG A 30 -2.891 -11.791 -5.811 1.00 8.65 H new ATOM 0 HH22 ARG A 30 -4.634 -12.025 -5.973 1.00 8.65 H new ATOM 457 N GLY A 31 -2.420 -12.233 -1.990 1.00 0.76 N ATOM 458 CA GLY A 31 -3.675 -11.517 -2.179 1.00 0.82 C ATOM 459 C GLY A 31 -3.579 -10.173 -2.895 1.00 0.60 C ATOM 460 O GLY A 31 -4.613 -9.649 -3.290 1.00 0.68 O ATOM 0 H GLY A 31 -2.275 -12.530 -1.025 1.00 0.76 H new ATOM 0 HA2 GLY A 31 -4.354 -12.158 -2.741 1.00 0.82 H new ATOM 0 HA3 GLY A 31 -4.127 -11.353 -1.201 1.00 0.82 H new ATOM 464 N ILE A 32 -2.390 -9.607 -3.106 1.00 0.65 N ATOM 465 CA ILE A 32 -2.260 -8.432 -3.937 1.00 0.65 C ATOM 466 C ILE A 32 -2.397 -8.872 -5.400 1.00 0.95 C ATOM 467 O ILE A 32 -2.338 -10.060 -5.726 1.00 1.68 O ATOM 468 CB ILE A 32 -0.888 -7.795 -3.628 1.00 0.86 C ATOM 469 CG1 ILE A 32 -0.939 -6.271 -3.465 1.00 1.02 C ATOM 470 CG2 ILE A 32 0.201 -8.231 -4.610 1.00 1.42 C ATOM 471 CD1 ILE A 32 -0.441 -5.455 -4.658 1.00 2.17 C ATOM 0 H ILE A 32 -1.514 -9.948 -2.711 1.00 0.65 H new ATOM 0 HA ILE A 32 -3.030 -7.686 -3.743 1.00 0.65 H new ATOM 0 HB ILE A 32 -0.609 -8.188 -2.651 1.00 0.86 H new ATOM 0 HG12 ILE A 32 -1.969 -5.982 -3.256 1.00 1.02 H new ATOM 0 HG13 ILE A 32 -0.348 -5.998 -2.591 1.00 1.02 H new ATOM 0 HG21 ILE A 32 1.143 -7.752 -4.344 1.00 1.42 H new ATOM 0 HG22 ILE A 32 0.319 -9.314 -4.566 1.00 1.42 H new ATOM 0 HG23 ILE A 32 -0.082 -7.938 -5.621 1.00 1.42 H new ATOM 0 HD11 ILE A 32 -0.523 -4.392 -4.431 1.00 2.17 H new ATOM 0 HD12 ILE A 32 0.601 -5.704 -4.859 1.00 2.17 H new ATOM 0 HD13 ILE A 32 -1.045 -5.687 -5.535 1.00 2.17 H new ATOM 483 N LEU A 33 -2.571 -7.909 -6.300 1.00 0.70 N ATOM 484 CA LEU A 33 -2.514 -8.162 -7.733 1.00 0.86 C ATOM 485 C LEU A 33 -1.705 -7.100 -8.485 1.00 1.08 C ATOM 486 O LEU A 33 -1.070 -7.429 -9.484 1.00 1.38 O ATOM 487 CB LEU A 33 -3.918 -8.467 -8.280 1.00 0.91 C ATOM 488 CG LEU A 33 -4.885 -7.273 -8.330 1.00 1.55 C ATOM 489 CD1 LEU A 33 -4.795 -6.513 -9.659 1.00 2.23 C ATOM 490 CD2 LEU A 33 -6.322 -7.773 -8.145 1.00 2.54 C ATOM 0 H LEU A 33 -2.755 -6.936 -6.056 1.00 0.70 H new ATOM 0 HA LEU A 33 -1.938 -9.069 -7.919 1.00 0.86 H new ATOM 0 HB2 LEU A 33 -3.816 -8.871 -9.287 1.00 0.91 H new ATOM 0 HB3 LEU A 33 -4.366 -9.249 -7.666 1.00 0.91 H new ATOM 0 HG LEU A 33 -4.604 -6.590 -7.528 1.00 1.55 H new ATOM 0 HD11 LEU A 33 -5.496 -5.678 -9.649 1.00 2.23 H new ATOM 0 HD12 LEU A 33 -3.782 -6.135 -9.794 1.00 2.23 H new ATOM 0 HD13 LEU A 33 -5.044 -7.185 -10.480 1.00 2.23 H new ATOM 0 HD21 LEU A 33 -7.009 -6.927 -8.180 1.00 2.54 H new ATOM 0 HD22 LEU A 33 -6.569 -8.474 -8.942 1.00 2.54 H new ATOM 0 HD23 LEU A 33 -6.412 -8.273 -7.181 1.00 2.54 H new ATOM 502 N TYR A 34 -1.666 -5.847 -8.010 1.00 0.98 N ATOM 503 CA TYR A 34 -0.772 -4.829 -8.547 1.00 1.16 C ATOM 504 C TYR A 34 -0.521 -3.771 -7.470 1.00 0.98 C ATOM 505 O TYR A 34 -1.476 -3.196 -6.955 1.00 1.17 O ATOM 506 CB TYR A 34 -1.412 -4.230 -9.804 1.00 1.39 C ATOM 507 CG TYR A 34 -0.675 -3.075 -10.444 1.00 1.71 C ATOM 508 CD1 TYR A 34 0.526 -3.305 -11.140 1.00 1.96 C ATOM 509 CD2 TYR A 34 -1.268 -1.800 -10.477 1.00 2.87 C ATOM 510 CE1 TYR A 34 1.122 -2.268 -11.878 1.00 2.33 C ATOM 511 CE2 TYR A 34 -0.694 -0.775 -11.245 1.00 3.26 C ATOM 512 CZ TYR A 34 0.506 -1.007 -11.937 1.00 2.64 C ATOM 513 OH TYR A 34 1.134 0.044 -12.540 1.00 3.06 O ATOM 0 H TYR A 34 -2.254 -5.518 -7.245 1.00 0.98 H new ATOM 0 HA TYR A 34 0.191 -5.255 -8.827 1.00 1.16 H new ATOM 0 HB2 TYR A 34 -1.517 -5.022 -10.545 1.00 1.39 H new ATOM 0 HB3 TYR A 34 -2.418 -3.896 -9.550 1.00 1.39 H new ATOM 0 HD1 TYR A 34 0.990 -4.280 -11.107 1.00 1.96 H new ATOM 0 HD2 TYR A 34 -2.167 -1.609 -9.910 1.00 2.87 H new ATOM 0 HE1 TYR A 34 2.052 -2.440 -12.399 1.00 2.33 H new ATOM 0 HE2 TYR A 34 -1.174 0.191 -11.304 1.00 3.26 H new ATOM 0 HH TYR A 34 1.606 0.574 -11.865 1.00 3.06 H new ATOM 523 N CYS A 35 0.744 -3.529 -7.114 1.00 0.75 N ATOM 524 CA CYS A 35 1.157 -2.402 -6.279 1.00 0.62 C ATOM 525 C CYS A 35 1.854 -1.376 -7.160 1.00 0.67 C ATOM 526 O CYS A 35 2.756 -1.744 -7.909 1.00 0.95 O ATOM 527 CB CYS A 35 2.108 -2.782 -5.132 1.00 0.78 C ATOM 528 SG CYS A 35 3.496 -3.785 -5.715 1.00 3.03 S ATOM 0 H CYS A 35 1.522 -4.122 -7.404 1.00 0.75 H new ATOM 0 HA CYS A 35 0.251 -2.010 -5.818 1.00 0.62 H new ATOM 0 HB2 CYS A 35 2.487 -1.876 -4.659 1.00 0.78 H new ATOM 0 HB3 CYS A 35 1.557 -3.332 -4.370 1.00 0.78 H new ATOM 0 HG CYS A 35 3.850 -3.388 -6.901 1.00 3.03 H new ATOM 534 N SER A 36 1.483 -0.101 -7.017 1.00 0.57 N ATOM 535 CA SER A 36 2.234 1.012 -7.586 1.00 0.85 C ATOM 536 C SER A 36 2.374 2.117 -6.549 1.00 0.64 C ATOM 537 O SER A 36 1.634 3.100 -6.573 1.00 1.03 O ATOM 538 CB SER A 36 1.573 1.525 -8.868 1.00 1.27 C ATOM 539 OG SER A 36 1.730 0.544 -9.869 1.00 2.28 O ATOM 0 H SER A 36 0.651 0.185 -6.501 1.00 0.57 H new ATOM 0 HA SER A 36 3.230 0.665 -7.859 1.00 0.85 H new ATOM 0 HB2 SER A 36 0.516 1.726 -8.696 1.00 1.27 H new ATOM 0 HB3 SER A 36 2.029 2.464 -9.181 1.00 1.27 H new ATOM 0 HG SER A 36 0.848 0.249 -10.179 1.00 2.28 H new ATOM 545 N VAL A 37 3.327 1.957 -5.632 1.00 0.75 N ATOM 546 CA VAL A 37 3.691 2.997 -4.701 1.00 0.74 C ATOM 547 C VAL A 37 4.594 4.036 -5.372 1.00 0.89 C ATOM 548 O VAL A 37 5.404 3.698 -6.232 1.00 1.13 O ATOM 549 CB VAL A 37 4.316 2.305 -3.486 1.00 0.96 C ATOM 550 CG1 VAL A 37 5.654 1.641 -3.815 1.00 1.83 C ATOM 551 CG2 VAL A 37 4.515 3.256 -2.314 1.00 1.24 C ATOM 0 H VAL A 37 3.863 1.096 -5.522 1.00 0.75 H new ATOM 0 HA VAL A 37 2.827 3.570 -4.365 1.00 0.74 H new ATOM 0 HB VAL A 37 3.600 1.535 -3.200 1.00 0.96 H new ATOM 0 HG11 VAL A 37 6.054 1.165 -2.920 1.00 1.83 H new ATOM 0 HG12 VAL A 37 5.506 0.889 -4.590 1.00 1.83 H new ATOM 0 HG13 VAL A 37 6.357 2.395 -4.170 1.00 1.83 H new ATOM 0 HG21 VAL A 37 4.961 2.716 -1.479 1.00 1.24 H new ATOM 0 HG22 VAL A 37 5.175 4.070 -2.614 1.00 1.24 H new ATOM 0 HG23 VAL A 37 3.551 3.664 -2.009 1.00 1.24 H new ATOM 561 N ALA A 38 4.433 5.310 -5.001 1.00 0.93 N ATOM 562 CA ALA A 38 5.230 6.410 -5.515 1.00 1.08 C ATOM 563 C ALA A 38 5.283 7.534 -4.491 1.00 0.98 C ATOM 564 O ALA A 38 4.265 7.902 -3.904 1.00 0.93 O ATOM 565 CB ALA A 38 4.638 6.955 -6.812 1.00 1.22 C ATOM 0 H ALA A 38 3.730 5.603 -4.322 1.00 0.93 H new ATOM 0 HA ALA A 38 6.234 6.033 -5.712 1.00 1.08 H new ATOM 0 HB1 ALA A 38 5.254 7.778 -7.176 1.00 1.22 H new ATOM 0 HB2 ALA A 38 4.611 6.163 -7.561 1.00 1.22 H new ATOM 0 HB3 ALA A 38 3.625 7.314 -6.627 1.00 1.22 H new ATOM 571 N LEU A 39 6.470 8.115 -4.322 1.00 0.99 N ATOM 572 CA LEU A 39 6.675 9.234 -3.413 1.00 0.84 C ATOM 573 C LEU A 39 6.107 10.532 -3.986 1.00 0.95 C ATOM 574 O LEU A 39 5.773 11.432 -3.225 1.00 0.93 O ATOM 575 CB LEU A 39 8.145 9.337 -2.995 1.00 1.04 C ATOM 576 CG LEU A 39 9.117 9.777 -4.100 1.00 0.90 C ATOM 577 CD1 LEU A 39 9.308 11.300 -4.082 1.00 1.70 C ATOM 578 CD2 LEU A 39 10.475 9.122 -3.837 1.00 1.62 C ATOM 0 H LEU A 39 7.314 7.821 -4.813 1.00 0.99 H new ATOM 0 HA LEU A 39 6.112 9.048 -2.499 1.00 0.84 H new ATOM 0 HB2 LEU A 39 8.221 10.042 -2.167 1.00 1.04 H new ATOM 0 HB3 LEU A 39 8.466 8.366 -2.618 1.00 1.04 H new ATOM 0 HG LEU A 39 8.711 9.480 -5.067 1.00 0.90 H new ATOM 0 HD11 LEU A 39 10.000 11.589 -4.873 1.00 1.70 H new ATOM 0 HD12 LEU A 39 8.347 11.789 -4.244 1.00 1.70 H new ATOM 0 HD13 LEU A 39 9.712 11.605 -3.117 1.00 1.70 H new ATOM 0 HD21 LEU A 39 11.180 9.422 -4.612 1.00 1.62 H new ATOM 0 HD22 LEU A 39 10.849 9.439 -2.863 1.00 1.62 H new ATOM 0 HD23 LEU A 39 10.364 8.038 -3.848 1.00 1.62 H new ATOM 590 N ALA A 40 5.946 10.608 -5.314 1.00 1.20 N ATOM 591 CA ALA A 40 5.435 11.770 -6.043 1.00 1.47 C ATOM 592 C ALA A 40 4.231 12.431 -5.362 1.00 1.31 C ATOM 593 O ALA A 40 4.131 13.653 -5.338 1.00 1.56 O ATOM 594 CB ALA A 40 5.078 11.351 -7.471 1.00 1.80 C ATOM 0 H ALA A 40 6.178 9.830 -5.931 1.00 1.20 H new ATOM 0 HA ALA A 40 6.225 12.521 -6.054 1.00 1.47 H new ATOM 0 HB1 ALA A 40 4.697 12.213 -8.019 1.00 1.80 H new ATOM 0 HB2 ALA A 40 5.968 10.968 -7.971 1.00 1.80 H new ATOM 0 HB3 ALA A 40 4.315 10.573 -7.442 1.00 1.80 H new ATOM 600 N THR A 41 3.319 11.624 -4.810 1.00 1.02 N ATOM 601 CA THR A 41 2.265 12.107 -3.920 1.00 0.93 C ATOM 602 C THR A 41 2.093 11.158 -2.740 1.00 0.84 C ATOM 603 O THR A 41 0.986 10.959 -2.241 1.00 1.01 O ATOM 604 CB THR A 41 0.986 12.355 -4.715 1.00 1.08 C ATOM 605 OG1 THR A 41 -0.043 12.858 -3.890 1.00 2.07 O ATOM 606 CG2 THR A 41 0.472 11.133 -5.468 1.00 1.66 C ATOM 0 H THR A 41 3.293 10.617 -4.970 1.00 1.02 H new ATOM 0 HA THR A 41 2.544 13.068 -3.488 1.00 0.93 H new ATOM 0 HB THR A 41 1.265 13.098 -5.462 1.00 1.08 H new ATOM 0 HG1 THR A 41 -0.024 12.397 -3.025 1.00 2.07 H new ATOM 0 HG21 THR A 41 -0.439 11.394 -6.007 1.00 1.66 H new ATOM 0 HG22 THR A 41 1.229 10.797 -6.177 1.00 1.66 H new ATOM 0 HG23 THR A 41 0.258 10.333 -4.760 1.00 1.66 H new ATOM 614 N ASN A 42 3.224 10.597 -2.317 1.00 0.77 N ATOM 615 CA ASN A 42 3.393 9.753 -1.138 1.00 0.65 C ATOM 616 C ASN A 42 2.264 8.727 -1.063 1.00 0.62 C ATOM 617 O ASN A 42 1.596 8.585 -0.041 1.00 0.62 O ATOM 618 CB ASN A 42 3.521 10.632 0.119 1.00 0.68 C ATOM 619 CG ASN A 42 4.604 11.699 -0.066 1.00 0.99 C ATOM 620 OD1 ASN A 42 4.309 12.807 -0.502 1.00 1.96 O ATOM 621 ND2 ASN A 42 5.859 11.378 0.233 1.00 1.41 N ATOM 0 H ASN A 42 4.101 10.729 -2.821 1.00 0.77 H new ATOM 0 HA ASN A 42 4.318 9.181 -1.208 1.00 0.65 H new ATOM 0 HB2 ASN A 42 2.565 11.112 0.331 1.00 0.68 H new ATOM 0 HB3 ASN A 42 3.763 10.009 0.980 1.00 0.68 H new ATOM 0 HD21 ASN A 42 6.605 12.061 0.101 1.00 1.41 H new ATOM 0 HD22 ASN A 42 6.076 10.449 0.594 1.00 1.41 H new ATOM 628 N LYS A 43 2.040 8.023 -2.177 1.00 0.70 N ATOM 629 CA LYS A 43 0.893 7.155 -2.371 1.00 0.72 C ATOM 630 C LYS A 43 1.340 5.707 -2.491 1.00 0.68 C ATOM 631 O LYS A 43 2.391 5.444 -3.071 1.00 0.98 O ATOM 632 CB LYS A 43 0.075 7.614 -3.589 1.00 1.16 C ATOM 633 CG LYS A 43 0.787 7.510 -4.953 1.00 2.46 C ATOM 634 CD LYS A 43 -0.207 7.209 -6.088 1.00 2.16 C ATOM 635 CE LYS A 43 -1.327 8.254 -6.208 1.00 1.81 C ATOM 636 NZ LYS A 43 -2.367 7.850 -7.175 1.00 1.96 N ATOM 0 H LYS A 43 2.668 8.047 -2.980 1.00 0.70 H new ATOM 0 HA LYS A 43 0.241 7.221 -1.500 1.00 0.72 H new ATOM 0 HB2 LYS A 43 -0.840 7.023 -3.632 1.00 1.16 H new ATOM 0 HB3 LYS A 43 -0.222 8.651 -3.434 1.00 1.16 H new ATOM 0 HG2 LYS A 43 1.309 8.443 -5.164 1.00 2.46 H new ATOM 0 HG3 LYS A 43 1.542 6.725 -4.911 1.00 2.46 H new ATOM 0 HD2 LYS A 43 0.335 7.158 -7.032 1.00 2.16 H new ATOM 0 HD3 LYS A 43 -0.651 6.228 -5.922 1.00 2.16 H new ATOM 0 HE2 LYS A 43 -1.783 8.409 -5.230 1.00 1.81 H new ATOM 0 HE3 LYS A 43 -0.899 9.208 -6.515 1.00 1.81 H new ATOM 0 HZ1 LYS A 43 -3.296 8.178 -6.843 1.00 1.96 H new ATOM 0 HZ2 LYS A 43 -2.162 8.273 -8.103 1.00 1.96 H new ATOM 0 HZ3 LYS A 43 -2.377 6.814 -7.262 1.00 1.96 H new ATOM 650 N ALA A 44 0.531 4.780 -1.979 1.00 0.54 N ATOM 651 CA ALA A 44 0.597 3.364 -2.270 1.00 0.64 C ATOM 652 C ALA A 44 -0.748 2.921 -2.830 1.00 0.72 C ATOM 653 O ALA A 44 -1.737 2.853 -2.105 1.00 0.94 O ATOM 654 CB ALA A 44 0.993 2.577 -1.029 1.00 0.68 C ATOM 0 H ALA A 44 -0.216 5.013 -1.324 1.00 0.54 H new ATOM 0 HA ALA A 44 1.367 3.168 -3.017 1.00 0.64 H new ATOM 0 HB1 ALA A 44 1.037 1.515 -1.270 1.00 0.68 H new ATOM 0 HB2 ALA A 44 1.971 2.911 -0.683 1.00 0.68 H new ATOM 0 HB3 ALA A 44 0.255 2.741 -0.244 1.00 0.68 H new ATOM 660 N HIS A 45 -0.784 2.632 -4.130 1.00 0.61 N ATOM 661 CA HIS A 45 -1.886 2.093 -4.848 1.00 0.57 C ATOM 662 C HIS A 45 -1.744 0.593 -4.678 1.00 0.47 C ATOM 663 O HIS A 45 -0.876 0.012 -5.329 1.00 0.58 O ATOM 664 CB HIS A 45 -1.631 2.534 -6.288 1.00 0.96 C ATOM 665 CG HIS A 45 -2.712 2.130 -7.217 1.00 0.79 C ATOM 666 ND1 HIS A 45 -3.659 2.982 -7.702 1.00 1.86 N ATOM 667 CD2 HIS A 45 -2.997 0.863 -7.642 1.00 1.02 C ATOM 668 CE1 HIS A 45 -4.513 2.240 -8.405 1.00 2.55 C ATOM 669 NE2 HIS A 45 -4.163 0.943 -8.408 1.00 1.93 N ATOM 0 H HIS A 45 0.025 2.788 -4.731 1.00 0.61 H new ATOM 0 HA HIS A 45 -2.883 2.402 -4.535 1.00 0.57 H new ATOM 0 HB2 HIS A 45 -1.522 3.618 -6.316 1.00 0.96 H new ATOM 0 HB3 HIS A 45 -0.687 2.109 -6.631 1.00 0.96 H new ATOM 0 HD1 HIS A 45 -3.705 3.990 -7.555 1.00 1.86 H new ATOM 0 HD2 HIS A 45 -2.429 -0.030 -7.427 1.00 1.02 H new ATOM 0 HE1 HIS A 45 -5.382 2.634 -8.911 1.00 2.55 H new ATOM 677 N ILE A 46 -2.528 -0.012 -3.785 1.00 0.50 N ATOM 678 CA ILE A 46 -2.547 -1.457 -3.628 1.00 0.43 C ATOM 679 C ILE A 46 -3.823 -1.933 -4.310 1.00 0.46 C ATOM 680 O ILE A 46 -4.918 -1.527 -3.910 1.00 0.73 O ATOM 681 CB ILE A 46 -2.496 -1.886 -2.147 1.00 0.53 C ATOM 682 CG1 ILE A 46 -1.152 -1.592 -1.461 1.00 0.64 C ATOM 683 CG2 ILE A 46 -2.629 -3.410 -2.053 1.00 0.76 C ATOM 684 CD1 ILE A 46 -0.829 -0.114 -1.299 1.00 1.06 C ATOM 0 H ILE A 46 -3.160 0.485 -3.158 1.00 0.50 H new ATOM 0 HA ILE A 46 -1.663 -1.908 -4.079 1.00 0.43 H new ATOM 0 HB ILE A 46 -3.299 -1.327 -1.666 1.00 0.53 H new ATOM 0 HG12 ILE A 46 -1.153 -2.060 -0.476 1.00 0.64 H new ATOM 0 HG13 ILE A 46 -0.355 -2.063 -2.037 1.00 0.64 H new ATOM 0 HG21 ILE A 46 -2.593 -3.715 -1.007 1.00 0.76 H new ATOM 0 HG22 ILE A 46 -3.579 -3.720 -2.489 1.00 0.76 H new ATOM 0 HG23 ILE A 46 -1.810 -3.881 -2.596 1.00 0.76 H new ATOM 0 HD11 ILE A 46 0.137 -0.005 -0.806 1.00 1.06 H new ATOM 0 HD12 ILE A 46 -0.791 0.360 -2.280 1.00 1.06 H new ATOM 0 HD13 ILE A 46 -1.601 0.363 -0.695 1.00 1.06 H new ATOM 696 N LYS A 47 -3.673 -2.784 -5.327 1.00 0.42 N ATOM 697 CA LYS A 47 -4.752 -3.558 -5.903 1.00 0.52 C ATOM 698 C LYS A 47 -4.638 -4.986 -5.385 1.00 0.43 C ATOM 699 O LYS A 47 -3.523 -5.497 -5.272 1.00 0.78 O ATOM 700 CB LYS A 47 -4.668 -3.543 -7.427 1.00 0.71 C ATOM 701 CG LYS A 47 -4.502 -2.123 -7.982 1.00 0.80 C ATOM 702 CD LYS A 47 -4.987 -2.078 -9.443 1.00 1.11 C ATOM 703 CE LYS A 47 -6.525 -2.066 -9.521 1.00 2.31 C ATOM 704 NZ LYS A 47 -7.040 -2.461 -10.846 1.00 2.74 N ATOM 0 H LYS A 47 -2.773 -2.951 -5.777 1.00 0.42 H new ATOM 0 HA LYS A 47 -5.712 -3.127 -5.617 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -3.828 -4.158 -7.749 1.00 0.71 H new ATOM 0 HB3 LYS A 47 -5.570 -3.991 -7.844 1.00 0.71 H new ATOM 0 HG2 LYS A 47 -5.071 -1.417 -7.378 1.00 0.80 H new ATOM 0 HG3 LYS A 47 -3.456 -1.820 -7.926 1.00 0.80 H new ATOM 0 HD2 LYS A 47 -4.589 -1.190 -9.934 1.00 1.11 H new ATOM 0 HD3 LYS A 47 -4.600 -2.942 -9.984 1.00 1.11 H new ATOM 0 HE2 LYS A 47 -6.927 -2.741 -8.766 1.00 2.31 H new ATOM 0 HE3 LYS A 47 -6.887 -1.067 -9.280 1.00 2.31 H new ATOM 0 HZ1 LYS A 47 -7.898 -3.036 -10.727 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 -7.267 -1.609 -11.398 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 -6.318 -3.016 -11.348 1.00 2.74 H new ATOM 718 N TYR A 48 -5.763 -5.629 -5.075 1.00 0.86 N ATOM 719 CA TYR A 48 -5.805 -6.889 -4.352 1.00 0.86 C ATOM 720 C TYR A 48 -7.118 -7.641 -4.567 1.00 0.86 C ATOM 721 O TYR A 48 -8.128 -7.039 -4.924 1.00 1.00 O ATOM 722 CB TYR A 48 -5.589 -6.602 -2.861 1.00 0.90 C ATOM 723 CG TYR A 48 -6.642 -5.730 -2.195 1.00 0.90 C ATOM 724 CD1 TYR A 48 -7.713 -6.329 -1.507 1.00 2.02 C ATOM 725 CD2 TYR A 48 -6.423 -4.348 -2.049 1.00 1.92 C ATOM 726 CE1 TYR A 48 -8.416 -5.605 -0.531 1.00 2.03 C ATOM 727 CE2 TYR A 48 -7.076 -3.640 -1.028 1.00 2.05 C ATOM 728 CZ TYR A 48 -8.029 -4.292 -0.225 1.00 1.23 C ATOM 729 OH TYR A 48 -8.543 -3.680 0.878 1.00 1.71 O ATOM 0 H TYR A 48 -6.687 -5.277 -5.327 1.00 0.86 H new ATOM 0 HA TYR A 48 -5.014 -7.534 -4.735 1.00 0.86 H new ATOM 0 HB2 TYR A 48 -5.543 -7.553 -2.330 1.00 0.90 H new ATOM 0 HB3 TYR A 48 -4.618 -6.122 -2.740 1.00 0.90 H new ATOM 0 HD1 TYR A 48 -7.995 -7.347 -1.730 1.00 2.02 H new ATOM 0 HD2 TYR A 48 -5.753 -3.833 -2.722 1.00 1.92 H new ATOM 0 HE1 TYR A 48 -9.252 -6.057 -0.018 1.00 2.03 H new ATOM 0 HE2 TYR A 48 -6.847 -2.598 -0.860 1.00 2.05 H new ATOM 0 HH TYR A 48 -7.891 -3.039 1.230 1.00 1.71 H new ATOM 739 N ASP A 49 -7.095 -8.953 -4.321 1.00 0.79 N ATOM 740 CA ASP A 49 -8.238 -9.856 -4.331 1.00 0.84 C ATOM 741 C ASP A 49 -9.153 -9.462 -3.163 1.00 0.74 C ATOM 742 O ASP A 49 -8.772 -9.698 -2.014 1.00 0.65 O ATOM 743 CB ASP A 49 -7.765 -11.309 -4.116 1.00 0.89 C ATOM 744 CG ASP A 49 -6.861 -11.891 -5.195 1.00 1.75 C ATOM 745 OD1 ASP A 49 -6.046 -11.147 -5.781 1.00 2.67 O ATOM 746 OD2 ASP A 49 -6.885 -13.129 -5.360 1.00 2.68 O ATOM 0 H ASP A 49 -6.226 -9.437 -4.097 1.00 0.79 H new ATOM 0 HA ASP A 49 -8.759 -9.788 -5.286 1.00 0.84 H new ATOM 0 HB2 ASP A 49 -7.237 -11.360 -3.164 1.00 0.89 H new ATOM 0 HB3 ASP A 49 -8.645 -11.946 -4.027 1.00 0.89 H new ATOM 751 N PRO A 50 -10.339 -8.876 -3.393 1.00 0.94 N ATOM 752 CA PRO A 50 -11.156 -8.295 -2.335 1.00 1.04 C ATOM 753 C PRO A 50 -11.969 -9.382 -1.625 1.00 1.04 C ATOM 754 O PRO A 50 -13.194 -9.293 -1.545 1.00 1.53 O ATOM 755 CB PRO A 50 -12.039 -7.276 -3.061 1.00 1.37 C ATOM 756 CG PRO A 50 -12.286 -7.948 -4.410 1.00 1.39 C ATOM 757 CD PRO A 50 -10.971 -8.683 -4.687 1.00 1.25 C ATOM 0 HA PRO A 50 -10.571 -7.821 -1.547 1.00 1.04 H new ATOM 0 HB2 PRO A 50 -12.969 -7.091 -2.524 1.00 1.37 H new ATOM 0 HB3 PRO A 50 -11.539 -6.314 -3.173 1.00 1.37 H new ATOM 0 HG2 PRO A 50 -13.130 -8.637 -4.367 1.00 1.39 H new ATOM 0 HG3 PRO A 50 -12.510 -7.218 -5.188 1.00 1.39 H new ATOM 0 HD2 PRO A 50 -11.154 -9.639 -5.178 1.00 1.25 H new ATOM 0 HD3 PRO A 50 -10.331 -8.101 -5.351 1.00 1.25 H new ATOM 765 N GLU A 51 -11.282 -10.416 -1.130 1.00 0.89 N ATOM 766 CA GLU A 51 -11.864 -11.587 -0.500 1.00 0.99 C ATOM 767 C GLU A 51 -10.979 -12.027 0.669 1.00 0.87 C ATOM 768 O GLU A 51 -11.409 -11.996 1.819 1.00 1.43 O ATOM 769 CB GLU A 51 -12.045 -12.712 -1.535 1.00 1.26 C ATOM 770 CG GLU A 51 -12.813 -12.235 -2.776 1.00 2.16 C ATOM 771 CD GLU A 51 -13.299 -13.387 -3.646 1.00 2.74 C ATOM 772 OE1 GLU A 51 -12.724 -14.487 -3.535 1.00 2.81 O ATOM 773 OE2 GLU A 51 -14.241 -13.121 -4.427 1.00 3.89 O ATOM 0 H GLU A 51 -10.263 -10.454 -1.163 1.00 0.89 H new ATOM 0 HA GLU A 51 -12.851 -11.345 -0.107 1.00 0.99 H new ATOM 0 HB2 GLU A 51 -11.067 -13.088 -1.836 1.00 1.26 H new ATOM 0 HB3 GLU A 51 -12.579 -13.544 -1.076 1.00 1.26 H new ATOM 0 HG2 GLU A 51 -13.668 -11.637 -2.461 1.00 2.16 H new ATOM 0 HG3 GLU A 51 -12.170 -11.584 -3.368 1.00 2.16 H new ATOM 780 N ILE A 52 -9.743 -12.447 0.376 1.00 0.67 N ATOM 781 CA ILE A 52 -8.862 -13.033 1.381 1.00 0.74 C ATOM 782 C ILE A 52 -8.178 -11.972 2.237 1.00 0.71 C ATOM 783 O ILE A 52 -7.984 -12.171 3.432 1.00 0.95 O ATOM 784 CB ILE A 52 -7.872 -14.031 0.753 1.00 0.96 C ATOM 785 CG1 ILE A 52 -6.690 -13.410 -0.015 1.00 1.08 C ATOM 786 CG2 ILE A 52 -8.614 -15.040 -0.136 1.00 1.72 C ATOM 787 CD1 ILE A 52 -5.442 -13.338 0.876 1.00 1.78 C ATOM 0 H ILE A 52 -9.332 -12.389 -0.556 1.00 0.67 H new ATOM 0 HA ILE A 52 -9.486 -13.607 2.066 1.00 0.74 H new ATOM 0 HB ILE A 52 -7.415 -14.533 1.606 1.00 0.96 H new ATOM 0 HG12 ILE A 52 -6.475 -14.004 -0.903 1.00 1.08 H new ATOM 0 HG13 ILE A 52 -6.957 -12.410 -0.357 1.00 1.08 H new ATOM 0 HG21 ILE A 52 -7.898 -15.737 -0.571 1.00 1.72 H new ATOM 0 HG22 ILE A 52 -9.338 -15.591 0.465 1.00 1.72 H new ATOM 0 HG23 ILE A 52 -9.134 -14.509 -0.933 1.00 1.72 H new ATOM 0 HD11 ILE A 52 -4.619 -12.896 0.314 1.00 1.78 H new ATOM 0 HD12 ILE A 52 -5.655 -12.724 1.751 1.00 1.78 H new ATOM 0 HD13 ILE A 52 -5.165 -14.342 1.196 1.00 1.78 H new ATOM 799 N ILE A 53 -7.788 -10.868 1.604 1.00 0.63 N ATOM 800 CA ILE A 53 -7.040 -9.783 2.219 1.00 0.64 C ATOM 801 C ILE A 53 -7.908 -8.528 2.272 1.00 0.59 C ATOM 802 O ILE A 53 -8.725 -8.314 1.376 1.00 0.65 O ATOM 803 CB ILE A 53 -5.731 -9.583 1.436 1.00 0.68 C ATOM 804 CG1 ILE A 53 -4.827 -8.563 2.129 1.00 0.88 C ATOM 805 CG2 ILE A 53 -5.926 -9.163 -0.024 1.00 0.74 C ATOM 806 CD1 ILE A 53 -3.390 -9.074 2.124 1.00 1.17 C ATOM 0 H ILE A 53 -7.992 -10.702 0.618 1.00 0.63 H new ATOM 0 HA ILE A 53 -6.774 -10.019 3.249 1.00 0.64 H new ATOM 0 HB ILE A 53 -5.262 -10.567 1.425 1.00 0.68 H new ATOM 0 HG12 ILE A 53 -4.885 -7.602 1.617 1.00 0.88 H new ATOM 0 HG13 ILE A 53 -5.163 -8.399 3.153 1.00 0.88 H new ATOM 0 HG21 ILE A 53 -4.953 -9.044 -0.501 1.00 0.74 H new ATOM 0 HG22 ILE A 53 -6.497 -9.928 -0.550 1.00 0.74 H new ATOM 0 HG23 ILE A 53 -6.467 -8.217 -0.061 1.00 0.74 H new ATOM 0 HD11 ILE A 53 -2.744 -8.348 2.618 1.00 1.17 H new ATOM 0 HD12 ILE A 53 -3.340 -10.025 2.655 1.00 1.17 H new ATOM 0 HD13 ILE A 53 -3.058 -9.215 1.096 1.00 1.17 H new ATOM 818 N GLY A 54 -7.751 -7.710 3.318 1.00 0.59 N ATOM 819 CA GLY A 54 -8.480 -6.468 3.493 1.00 0.61 C ATOM 820 C GLY A 54 -7.514 -5.292 3.652 1.00 0.58 C ATOM 821 O GLY A 54 -6.301 -5.443 3.501 1.00 0.69 O ATOM 0 H GLY A 54 -7.098 -7.905 4.077 1.00 0.59 H new ATOM 0 HA2 GLY A 54 -9.130 -6.298 2.635 1.00 0.61 H new ATOM 0 HA3 GLY A 54 -9.123 -6.538 4.370 1.00 0.61 H new ATOM 825 N PRO A 55 -8.041 -4.102 3.983 1.00 0.57 N ATOM 826 CA PRO A 55 -7.221 -2.939 4.270 1.00 0.61 C ATOM 827 C PRO A 55 -6.366 -3.190 5.514 1.00 0.68 C ATOM 828 O PRO A 55 -5.201 -2.808 5.541 1.00 0.72 O ATOM 829 CB PRO A 55 -8.204 -1.778 4.450 1.00 0.71 C ATOM 830 CG PRO A 55 -9.503 -2.459 4.884 1.00 0.76 C ATOM 831 CD PRO A 55 -9.454 -3.805 4.161 1.00 0.65 C ATOM 0 HA PRO A 55 -6.515 -2.713 3.471 1.00 0.61 H new ATOM 0 HB2 PRO A 55 -7.853 -1.071 5.202 1.00 0.71 H new ATOM 0 HB3 PRO A 55 -8.336 -1.219 3.524 1.00 0.71 H new ATOM 0 HG2 PRO A 55 -9.549 -2.585 5.966 1.00 0.76 H new ATOM 0 HG3 PRO A 55 -10.378 -1.878 4.593 1.00 0.76 H new ATOM 0 HD2 PRO A 55 -9.947 -4.582 4.745 1.00 0.65 H new ATOM 0 HD3 PRO A 55 -9.968 -3.753 3.201 1.00 0.65 H new ATOM 839 N ARG A 56 -6.951 -3.830 6.535 1.00 0.73 N ATOM 840 CA ARG A 56 -6.282 -4.165 7.787 1.00 0.84 C ATOM 841 C ARG A 56 -4.899 -4.763 7.540 1.00 0.79 C ATOM 842 O ARG A 56 -3.910 -4.229 8.031 1.00 0.77 O ATOM 843 CB ARG A 56 -7.151 -5.132 8.611 1.00 1.05 C ATOM 844 CG ARG A 56 -7.955 -4.417 9.704 1.00 1.61 C ATOM 845 CD ARG A 56 -8.990 -3.433 9.146 1.00 2.68 C ATOM 846 NE ARG A 56 -9.706 -2.770 10.248 1.00 3.69 N ATOM 847 CZ ARG A 56 -10.696 -1.874 10.100 1.00 5.17 C ATOM 848 NH1 ARG A 56 -11.107 -1.536 8.873 1.00 6.09 N ATOM 849 NH2 ARG A 56 -11.266 -1.324 11.177 1.00 6.29 N ATOM 0 H ARG A 56 -7.924 -4.134 6.507 1.00 0.73 H new ATOM 0 HA ARG A 56 -6.145 -3.243 8.353 1.00 0.84 H new ATOM 0 HB2 ARG A 56 -7.836 -5.656 7.945 1.00 1.05 H new ATOM 0 HB3 ARG A 56 -6.513 -5.887 9.070 1.00 1.05 H new ATOM 0 HG2 ARG A 56 -8.464 -5.161 10.317 1.00 1.61 H new ATOM 0 HG3 ARG A 56 -7.269 -3.880 10.359 1.00 1.61 H new ATOM 0 HD2 ARG A 56 -8.495 -2.688 8.523 1.00 2.68 H new ATOM 0 HD3 ARG A 56 -9.698 -3.962 8.508 1.00 2.68 H new ATOM 0 HE ARG A 56 -9.428 -3.010 11.200 1.00 3.69 H new ATOM 0 HH11 ARG A 56 -10.669 -1.958 8.054 1.00 6.09 H new ATOM 0 HH12 ARG A 56 -11.858 -0.856 8.756 1.00 6.09 H new ATOM 0 HH21 ARG A 56 -10.949 -1.585 12.111 1.00 6.29 H new ATOM 0 HH22 ARG A 56 -12.018 -0.644 11.065 1.00 6.29 H new ATOM 863 N ASP A 57 -4.830 -5.870 6.798 1.00 0.81 N ATOM 864 CA ASP A 57 -3.596 -6.610 6.577 1.00 0.81 C ATOM 865 C ASP A 57 -2.515 -5.663 6.060 1.00 0.73 C ATOM 866 O ASP A 57 -1.463 -5.495 6.675 1.00 0.68 O ATOM 867 CB ASP A 57 -3.844 -7.741 5.566 1.00 0.88 C ATOM 868 CG ASP A 57 -5.142 -8.497 5.816 1.00 1.36 C ATOM 869 OD1 ASP A 57 -6.202 -7.872 5.569 1.00 2.34 O ATOM 870 OD2 ASP A 57 -5.052 -9.668 6.234 1.00 2.13 O ATOM 0 H ASP A 57 -5.640 -6.278 6.331 1.00 0.81 H new ATOM 0 HA ASP A 57 -3.261 -7.047 7.517 1.00 0.81 H new ATOM 0 HB2 ASP A 57 -3.863 -7.322 4.560 1.00 0.88 H new ATOM 0 HB3 ASP A 57 -3.010 -8.442 5.603 1.00 0.88 H new ATOM 875 N ILE A 58 -2.818 -5.012 4.935 1.00 0.74 N ATOM 876 CA ILE A 58 -1.933 -4.058 4.286 1.00 0.72 C ATOM 877 C ILE A 58 -1.476 -3.021 5.304 1.00 0.69 C ATOM 878 O ILE A 58 -0.283 -2.765 5.445 1.00 0.69 O ATOM 879 CB ILE A 58 -2.663 -3.364 3.125 1.00 0.71 C ATOM 880 CG1 ILE A 58 -3.080 -4.361 2.033 1.00 0.63 C ATOM 881 CG2 ILE A 58 -1.772 -2.258 2.537 1.00 0.84 C ATOM 882 CD1 ILE A 58 -4.222 -3.774 1.203 1.00 1.26 C ATOM 0 H ILE A 58 -3.703 -5.140 4.445 1.00 0.74 H new ATOM 0 HA ILE A 58 -1.066 -4.585 3.888 1.00 0.72 H new ATOM 0 HB ILE A 58 -3.577 -2.919 3.519 1.00 0.71 H new ATOM 0 HG12 ILE A 58 -2.229 -4.586 1.390 1.00 0.63 H new ATOM 0 HG13 ILE A 58 -3.394 -5.301 2.487 1.00 0.63 H new ATOM 0 HG21 ILE A 58 -2.294 -1.769 1.714 1.00 0.84 H new ATOM 0 HG22 ILE A 58 -1.545 -1.524 3.310 1.00 0.84 H new ATOM 0 HG23 ILE A 58 -0.844 -2.696 2.169 1.00 0.84 H new ATOM 0 HD11 ILE A 58 -4.513 -4.486 0.430 1.00 1.26 H new ATOM 0 HD12 ILE A 58 -5.075 -3.571 1.850 1.00 1.26 H new ATOM 0 HD13 ILE A 58 -3.893 -2.846 0.736 1.00 1.26 H new ATOM 894 N ILE A 59 -2.428 -2.400 5.996 1.00 0.68 N ATOM 895 CA ILE A 59 -2.139 -1.337 6.936 1.00 0.66 C ATOM 896 C ILE A 59 -1.180 -1.836 8.014 1.00 0.62 C ATOM 897 O ILE A 59 -0.164 -1.193 8.250 1.00 0.59 O ATOM 898 CB ILE A 59 -3.450 -0.761 7.487 1.00 0.66 C ATOM 899 CG1 ILE A 59 -4.122 0.066 6.378 1.00 0.76 C ATOM 900 CG2 ILE A 59 -3.235 0.059 8.770 1.00 0.64 C ATOM 901 CD1 ILE A 59 -5.585 0.351 6.702 1.00 0.74 C ATOM 0 H ILE A 59 -3.420 -2.625 5.916 1.00 0.68 H new ATOM 0 HA ILE A 59 -1.628 -0.514 6.436 1.00 0.66 H new ATOM 0 HB ILE A 59 -4.107 -1.581 7.777 1.00 0.66 H new ATOM 0 HG12 ILE A 59 -3.587 1.007 6.249 1.00 0.76 H new ATOM 0 HG13 ILE A 59 -4.056 -0.471 5.432 1.00 0.76 H new ATOM 0 HG21 ILE A 59 -4.192 0.445 9.120 1.00 0.64 H new ATOM 0 HG22 ILE A 59 -2.797 -0.577 9.539 1.00 0.64 H new ATOM 0 HG23 ILE A 59 -2.563 0.891 8.561 1.00 0.64 H new ATOM 0 HD11 ILE A 59 -6.028 0.937 5.897 1.00 0.74 H new ATOM 0 HD12 ILE A 59 -6.125 -0.590 6.805 1.00 0.74 H new ATOM 0 HD13 ILE A 59 -5.649 0.910 7.636 1.00 0.74 H new ATOM 913 N HIS A 60 -1.462 -2.995 8.616 1.00 0.64 N ATOM 914 CA HIS A 60 -0.622 -3.575 9.658 1.00 0.68 C ATOM 915 C HIS A 60 0.786 -3.799 9.111 1.00 0.62 C ATOM 916 O HIS A 60 1.790 -3.544 9.776 1.00 0.60 O ATOM 917 CB HIS A 60 -1.218 -4.898 10.155 1.00 0.88 C ATOM 918 CG HIS A 60 -2.633 -4.825 10.680 1.00 1.23 C ATOM 919 ND1 HIS A 60 -3.500 -5.891 10.755 1.00 3.11 N ATOM 920 CD2 HIS A 60 -3.297 -3.717 11.141 1.00 1.28 C ATOM 921 CE1 HIS A 60 -4.658 -5.435 11.258 1.00 3.11 C ATOM 922 NE2 HIS A 60 -4.591 -4.117 11.501 1.00 1.79 N ATOM 0 H HIS A 60 -2.283 -3.556 8.391 1.00 0.64 H new ATOM 0 HA HIS A 60 -0.574 -2.886 10.501 1.00 0.68 H new ATOM 0 HB2 HIS A 60 -1.191 -5.617 9.336 1.00 0.88 H new ATOM 0 HB3 HIS A 60 -0.577 -5.290 10.945 1.00 0.88 H new ATOM 0 HD2 HIS A 60 -2.895 -2.717 11.213 1.00 1.28 H new ATOM 0 HE1 HIS A 60 -5.528 -6.048 11.443 1.00 3.11 H new ATOM 0 HE2 HIS A 60 -5.333 -3.525 11.873 1.00 1.79 H new ATOM 930 N THR A 61 0.856 -4.282 7.872 1.00 0.64 N ATOM 931 CA THR A 61 2.124 -4.521 7.209 1.00 0.69 C ATOM 932 C THR A 61 2.881 -3.208 6.979 1.00 0.63 C ATOM 933 O THR A 61 4.081 -3.146 7.233 1.00 0.69 O ATOM 934 CB THR A 61 1.869 -5.323 5.928 1.00 0.82 C ATOM 935 OG1 THR A 61 1.355 -6.587 6.297 1.00 0.98 O ATOM 936 CG2 THR A 61 3.143 -5.528 5.098 1.00 0.90 C ATOM 0 H THR A 61 0.039 -4.515 7.308 1.00 0.64 H new ATOM 0 HA THR A 61 2.779 -5.118 7.843 1.00 0.69 H new ATOM 0 HB THR A 61 1.166 -4.763 5.311 1.00 0.82 H new ATOM 0 HG1 THR A 61 1.162 -7.110 5.491 1.00 0.98 H new ATOM 0 HG21 THR A 61 2.905 -6.102 4.202 1.00 0.90 H new ATOM 0 HG22 THR A 61 3.550 -4.559 4.811 1.00 0.90 H new ATOM 0 HG23 THR A 61 3.880 -6.070 5.691 1.00 0.90 H new ATOM 944 N ILE A 62 2.209 -2.159 6.495 1.00 0.56 N ATOM 945 CA ILE A 62 2.854 -0.890 6.187 1.00 0.51 C ATOM 946 C ILE A 62 3.280 -0.176 7.469 1.00 0.50 C ATOM 947 O ILE A 62 4.417 0.279 7.563 1.00 0.56 O ATOM 948 CB ILE A 62 1.931 0.009 5.345 1.00 0.46 C ATOM 949 CG1 ILE A 62 1.669 -0.544 3.932 1.00 0.46 C ATOM 950 CG2 ILE A 62 2.516 1.424 5.247 1.00 0.48 C ATOM 951 CD1 ILE A 62 2.841 -0.379 2.959 1.00 1.96 C ATOM 0 H ILE A 62 1.206 -2.171 6.308 1.00 0.56 H new ATOM 0 HA ILE A 62 3.747 -1.101 5.598 1.00 0.51 H new ATOM 0 HB ILE A 62 0.970 0.034 5.860 1.00 0.46 H new ATOM 0 HG12 ILE A 62 1.424 -1.603 4.010 1.00 0.46 H new ATOM 0 HG13 ILE A 62 0.794 -0.044 3.516 1.00 0.46 H new ATOM 0 HG21 ILE A 62 1.854 2.051 4.649 1.00 0.48 H new ATOM 0 HG22 ILE A 62 2.612 1.848 6.247 1.00 0.48 H new ATOM 0 HG23 ILE A 62 3.498 1.380 4.776 1.00 0.48 H new ATOM 0 HD11 ILE A 62 2.570 -0.796 1.989 1.00 1.96 H new ATOM 0 HD12 ILE A 62 3.075 0.680 2.847 1.00 1.96 H new ATOM 0 HD13 ILE A 62 3.714 -0.904 3.348 1.00 1.96 H new ATOM 963 N GLU A 63 2.362 -0.012 8.424 1.00 0.44 N ATOM 964 CA GLU A 63 2.551 0.870 9.567 1.00 0.67 C ATOM 965 C GLU A 63 3.819 0.528 10.339 1.00 0.93 C ATOM 966 O GLU A 63 4.542 1.415 10.783 1.00 1.19 O ATOM 967 CB GLU A 63 1.299 0.873 10.446 1.00 0.90 C ATOM 968 CG GLU A 63 1.026 -0.438 11.192 1.00 1.67 C ATOM 969 CD GLU A 63 -0.351 -0.463 11.851 1.00 1.98 C ATOM 970 OE1 GLU A 63 -1.152 0.455 11.570 1.00 2.33 O ATOM 971 OE2 GLU A 63 -0.582 -1.416 12.626 1.00 3.08 O ATOM 0 H GLU A 63 1.462 -0.493 8.422 1.00 0.44 H new ATOM 0 HA GLU A 63 2.693 1.887 9.203 1.00 0.67 H new ATOM 0 HB2 GLU A 63 1.389 1.677 11.177 1.00 0.90 H new ATOM 0 HB3 GLU A 63 0.436 1.104 9.822 1.00 0.90 H new ATOM 0 HG2 GLU A 63 1.106 -1.272 10.495 1.00 1.67 H new ATOM 0 HG3 GLU A 63 1.792 -0.585 11.954 1.00 1.67 H new ATOM 978 N SER A 64 4.102 -0.771 10.421 1.00 1.02 N ATOM 979 CA SER A 64 5.359 -1.347 10.884 1.00 1.27 C ATOM 980 C SER A 64 6.594 -0.544 10.430 1.00 1.70 C ATOM 981 O SER A 64 7.497 -0.302 11.228 1.00 2.08 O ATOM 982 CB SER A 64 5.430 -2.807 10.412 1.00 1.37 C ATOM 983 OG SER A 64 6.521 -3.484 11.004 1.00 2.50 O ATOM 0 H SER A 64 3.425 -1.485 10.152 1.00 1.02 H new ATOM 0 HA SER A 64 5.376 -1.306 11.973 1.00 1.27 H new ATOM 0 HB2 SER A 64 4.501 -3.319 10.664 1.00 1.37 H new ATOM 0 HB3 SER A 64 5.526 -2.837 9.327 1.00 1.37 H new ATOM 0 HG SER A 64 6.541 -4.411 10.687 1.00 2.50 H new ATOM 989 N LEU A 65 6.652 -0.123 9.159 1.00 1.73 N ATOM 990 CA LEU A 65 7.782 0.609 8.597 1.00 1.99 C ATOM 991 C LEU A 65 7.894 2.031 9.167 1.00 1.99 C ATOM 992 O LEU A 65 8.953 2.646 9.063 1.00 2.26 O ATOM 993 CB LEU A 65 7.620 0.695 7.075 1.00 2.04 C ATOM 994 CG LEU A 65 7.811 -0.611 6.283 1.00 2.27 C ATOM 995 CD1 LEU A 65 9.296 -0.847 5.988 1.00 3.89 C ATOM 996 CD2 LEU A 65 7.210 -1.878 6.898 1.00 2.03 C ATOM 0 H LEU A 65 5.902 -0.287 8.488 1.00 1.73 H new ATOM 0 HA LEU A 65 8.690 0.069 8.863 1.00 1.99 H new ATOM 0 HB2 LEU A 65 6.623 1.080 6.860 1.00 2.04 H new ATOM 0 HB3 LEU A 65 8.333 1.428 6.698 1.00 2.04 H new ATOM 0 HG LEU A 65 7.240 -0.443 5.370 1.00 2.27 H new ATOM 0 HD11 LEU A 65 9.413 -1.775 5.428 1.00 3.89 H new ATOM 0 HD12 LEU A 65 9.687 -0.016 5.400 1.00 3.89 H new ATOM 0 HD13 LEU A 65 9.846 -0.918 6.926 1.00 3.89 H new ATOM 0 HD21 LEU A 65 7.411 -2.729 6.247 1.00 2.03 H new ATOM 0 HD22 LEU A 65 7.658 -2.055 7.876 1.00 2.03 H new ATOM 0 HD23 LEU A 65 6.133 -1.753 7.009 1.00 2.03 H new ATOM 1008 N GLY A 66 6.808 2.559 9.737 1.00 1.76 N ATOM 1009 CA GLY A 66 6.741 3.880 10.340 1.00 1.82 C ATOM 1010 C GLY A 66 6.128 4.906 9.390 1.00 1.66 C ATOM 1011 O GLY A 66 6.593 6.043 9.342 1.00 1.89 O ATOM 0 H GLY A 66 5.923 2.055 9.790 1.00 1.76 H new ATOM 0 HA2 GLY A 66 6.150 3.833 11.255 1.00 1.82 H new ATOM 0 HA3 GLY A 66 7.743 4.201 10.624 1.00 1.82 H new ATOM 1015 N PHE A 67 5.077 4.524 8.652 1.00 1.31 N ATOM 1016 CA PHE A 67 4.292 5.432 7.818 1.00 1.11 C ATOM 1017 C PHE A 67 2.829 5.306 8.241 1.00 1.02 C ATOM 1018 O PHE A 67 2.441 4.249 8.730 1.00 1.03 O ATOM 1019 CB PHE A 67 4.412 5.071 6.326 1.00 0.97 C ATOM 1020 CG PHE A 67 5.764 4.591 5.822 1.00 0.91 C ATOM 1021 CD1 PHE A 67 6.962 5.200 6.240 1.00 2.11 C ATOM 1022 CD2 PHE A 67 5.818 3.509 4.923 1.00 1.66 C ATOM 1023 CE1 PHE A 67 8.201 4.649 5.869 1.00 2.05 C ATOM 1024 CE2 PHE A 67 7.054 2.972 4.532 1.00 1.77 C ATOM 1025 CZ PHE A 67 8.245 3.533 5.015 1.00 0.97 C ATOM 0 H PHE A 67 4.747 3.560 8.620 1.00 1.31 H new ATOM 0 HA PHE A 67 4.663 6.448 7.950 1.00 1.11 H new ATOM 0 HB2 PHE A 67 3.678 4.295 6.109 1.00 0.97 H new ATOM 0 HB3 PHE A 67 4.130 5.949 5.745 1.00 0.97 H new ATOM 0 HD1 PHE A 67 6.929 6.093 6.847 1.00 2.11 H new ATOM 0 HD2 PHE A 67 4.903 3.090 4.532 1.00 1.66 H new ATOM 0 HE1 PHE A 67 9.118 5.083 6.240 1.00 2.05 H new ATOM 0 HE2 PHE A 67 7.088 2.127 3.860 1.00 1.77 H new ATOM 0 HZ PHE A 67 9.196 3.108 4.731 1.00 0.97 H new ATOM 1035 N GLU A 68 2.006 6.328 8.002 1.00 0.97 N ATOM 1036 CA GLU A 68 0.565 6.232 8.153 1.00 0.84 C ATOM 1037 C GLU A 68 -0.060 5.918 6.782 1.00 0.56 C ATOM 1038 O GLU A 68 -0.202 6.849 5.982 1.00 0.61 O ATOM 1039 CB GLU A 68 0.036 7.574 8.664 1.00 1.13 C ATOM 1040 CG GLU A 68 0.418 7.904 10.112 1.00 1.56 C ATOM 1041 CD GLU A 68 -0.235 9.218 10.505 1.00 2.17 C ATOM 1042 OE1 GLU A 68 -1.477 9.290 10.394 1.00 3.51 O ATOM 1043 OE2 GLU A 68 0.482 10.219 10.713 1.00 2.30 O ATOM 0 H GLU A 68 2.328 7.247 7.697 1.00 0.97 H new ATOM 0 HA GLU A 68 0.308 5.442 8.859 1.00 0.84 H new ATOM 0 HB2 GLU A 68 0.408 8.367 8.015 1.00 1.13 H new ATOM 0 HB3 GLU A 68 -1.051 7.577 8.580 1.00 1.13 H new ATOM 0 HG2 GLU A 68 0.092 7.106 10.779 1.00 1.56 H new ATOM 0 HG3 GLU A 68 1.501 7.977 10.209 1.00 1.56 H new ATOM 1050 N PRO A 69 -0.444 4.662 6.480 1.00 0.44 N ATOM 1051 CA PRO A 69 -1.134 4.314 5.242 1.00 0.50 C ATOM 1052 C PRO A 69 -2.559 4.871 5.288 1.00 0.69 C ATOM 1053 O PRO A 69 -3.520 4.181 5.618 1.00 1.15 O ATOM 1054 CB PRO A 69 -1.098 2.787 5.163 1.00 0.53 C ATOM 1055 CG PRO A 69 -1.107 2.380 6.631 1.00 0.47 C ATOM 1056 CD PRO A 69 -0.290 3.476 7.312 1.00 0.46 C ATOM 0 HA PRO A 69 -0.667 4.740 4.354 1.00 0.50 H new ATOM 0 HB2 PRO A 69 -1.959 2.388 4.626 1.00 0.53 H new ATOM 0 HB3 PRO A 69 -0.207 2.428 4.648 1.00 0.53 H new ATOM 0 HG2 PRO A 69 -2.121 2.331 7.027 1.00 0.47 H new ATOM 0 HG3 PRO A 69 -0.660 1.397 6.777 1.00 0.47 H new ATOM 0 HD2 PRO A 69 -0.649 3.659 8.325 1.00 0.46 H new ATOM 0 HD3 PRO A 69 0.758 3.189 7.393 1.00 0.46 H new ATOM 1064 N SER A 70 -2.683 6.155 4.972 1.00 0.62 N ATOM 1065 CA SER A 70 -3.888 6.925 5.184 1.00 0.71 C ATOM 1066 C SER A 70 -4.878 6.607 4.062 1.00 0.56 C ATOM 1067 O SER A 70 -4.645 6.975 2.912 1.00 0.57 O ATOM 1068 CB SER A 70 -3.506 8.410 5.231 1.00 0.97 C ATOM 1069 OG SER A 70 -2.427 8.623 6.133 1.00 1.86 O ATOM 0 H SER A 70 -1.927 6.696 4.552 1.00 0.62 H new ATOM 0 HA SER A 70 -4.372 6.672 6.128 1.00 0.71 H new ATOM 0 HB2 SER A 70 -3.226 8.750 4.234 1.00 0.97 H new ATOM 0 HB3 SER A 70 -4.367 9.003 5.540 1.00 0.97 H new ATOM 0 HG SER A 70 -1.670 8.056 5.877 1.00 1.86 H new ATOM 1075 N LEU A 71 -5.966 5.899 4.378 1.00 0.62 N ATOM 1076 CA LEU A 71 -6.945 5.408 3.411 1.00 0.69 C ATOM 1077 C LEU A 71 -7.836 6.527 2.855 1.00 0.82 C ATOM 1078 O LEU A 71 -9.054 6.487 2.997 1.00 1.32 O ATOM 1079 CB LEU A 71 -7.760 4.247 4.015 1.00 0.99 C ATOM 1080 CG LEU A 71 -8.480 4.587 5.335 1.00 1.52 C ATOM 1081 CD1 LEU A 71 -9.922 4.066 5.292 1.00 1.77 C ATOM 1082 CD2 LEU A 71 -7.767 3.948 6.537 1.00 2.66 C ATOM 0 H LEU A 71 -6.194 5.646 5.340 1.00 0.62 H new ATOM 0 HA LEU A 71 -6.399 5.020 2.551 1.00 0.69 H new ATOM 0 HB2 LEU A 71 -8.502 3.923 3.285 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -7.092 3.403 4.188 1.00 0.99 H new ATOM 0 HG LEU A 71 -8.470 5.671 5.448 1.00 1.52 H new ATOM 0 HD11 LEU A 71 -10.425 4.310 6.228 1.00 1.77 H new ATOM 0 HD12 LEU A 71 -10.453 4.533 4.462 1.00 1.77 H new ATOM 0 HD13 LEU A 71 -9.914 2.985 5.155 1.00 1.77 H new ATOM 0 HD21 LEU A 71 -8.298 4.205 7.454 1.00 2.66 H new ATOM 0 HD22 LEU A 71 -7.753 2.865 6.418 1.00 2.66 H new ATOM 0 HD23 LEU A 71 -6.744 4.320 6.593 1.00 2.66 H new ATOM 1094 N VAL A 72 -7.228 7.508 2.185 1.00 0.93 N ATOM 1095 CA VAL A 72 -7.950 8.571 1.503 1.00 1.10 C ATOM 1096 C VAL A 72 -8.644 7.987 0.275 1.00 1.24 C ATOM 1097 O VAL A 72 -9.841 8.178 0.080 1.00 2.11 O ATOM 1098 CB VAL A 72 -6.983 9.691 1.087 1.00 1.59 C ATOM 1099 CG1 VAL A 72 -7.742 10.858 0.440 1.00 2.31 C ATOM 1100 CG2 VAL A 72 -6.188 10.230 2.285 1.00 2.18 C ATOM 0 H VAL A 72 -6.214 7.583 2.103 1.00 0.93 H new ATOM 0 HA VAL A 72 -8.694 8.998 2.176 1.00 1.10 H new ATOM 0 HB VAL A 72 -6.291 9.254 0.368 1.00 1.59 H new ATOM 0 HG11 VAL A 72 -7.036 11.638 0.154 1.00 2.31 H new ATOM 0 HG12 VAL A 72 -8.268 10.503 -0.446 1.00 2.31 H new ATOM 0 HG13 VAL A 72 -8.462 11.263 1.152 1.00 2.31 H new ATOM 0 HG21 VAL A 72 -5.516 11.020 1.950 1.00 2.18 H new ATOM 0 HG22 VAL A 72 -6.877 10.631 3.028 1.00 2.18 H new ATOM 0 HG23 VAL A 72 -5.606 9.422 2.729 1.00 2.18 H new ATOM 1110 N LYS A 73 -7.872 7.305 -0.579 1.00 1.34 N ATOM 1111 CA LYS A 73 -8.316 6.903 -1.900 1.00 1.79 C ATOM 1112 C LYS A 73 -8.731 8.115 -2.731 1.00 2.21 C ATOM 1113 O LYS A 73 -7.906 8.742 -3.389 1.00 3.58 O ATOM 1114 CB LYS A 73 -9.342 5.762 -1.802 1.00 2.32 C ATOM 1115 CG LYS A 73 -9.757 5.231 -3.179 1.00 3.10 C ATOM 1116 CD LYS A 73 -10.575 3.957 -2.973 1.00 4.11 C ATOM 1117 CE LYS A 73 -11.029 3.375 -4.320 1.00 5.10 C ATOM 1118 NZ LYS A 73 -11.575 2.011 -4.173 1.00 6.54 N ATOM 0 H LYS A 73 -6.917 7.019 -0.363 1.00 1.34 H new ATOM 0 HA LYS A 73 -7.488 6.473 -2.463 1.00 1.79 H new ATOM 0 HB2 LYS A 73 -8.921 4.947 -1.213 1.00 2.32 H new ATOM 0 HB3 LYS A 73 -10.225 6.116 -1.270 1.00 2.32 H new ATOM 0 HG2 LYS A 73 -10.345 5.978 -3.713 1.00 3.10 H new ATOM 0 HG3 LYS A 73 -8.877 5.023 -3.787 1.00 3.10 H new ATOM 0 HD2 LYS A 73 -9.978 3.220 -2.436 1.00 4.11 H new ATOM 0 HD3 LYS A 73 -11.445 4.175 -2.354 1.00 4.11 H new ATOM 0 HE2 LYS A 73 -11.786 4.024 -4.759 1.00 5.10 H new ATOM 0 HE3 LYS A 73 -10.186 3.356 -5.010 1.00 5.10 H new ATOM 0 HZ1 LYS A 73 -11.839 1.640 -5.108 1.00 6.54 H new ATOM 0 HZ2 LYS A 73 -10.856 1.393 -3.746 1.00 6.54 H new ATOM 0 HZ3 LYS A 73 -12.416 2.038 -3.561 1.00 6.54 H new ATOM 1132 N ILE A 74 -10.020 8.407 -2.697 1.00 2.38 N ATOM 1133 CA ILE A 74 -10.688 9.529 -3.338 1.00 3.48 C ATOM 1134 C ILE A 74 -11.830 9.924 -2.400 1.00 3.92 C ATOM 1135 O ILE A 74 -12.466 9.042 -1.822 1.00 4.27 O ATOM 1136 CB ILE A 74 -11.215 9.139 -4.740 1.00 4.59 C ATOM 1137 CG1 ILE A 74 -10.067 8.677 -5.660 1.00 5.49 C ATOM 1138 CG2 ILE A 74 -11.967 10.319 -5.379 1.00 5.66 C ATOM 1139 CD1 ILE A 74 -10.521 8.300 -7.075 1.00 6.58 C ATOM 0 H ILE A 74 -10.677 7.822 -2.182 1.00 2.38 H new ATOM 0 HA ILE A 74 -10.004 10.362 -3.499 1.00 3.48 H new ATOM 0 HB ILE A 74 -11.906 8.305 -4.617 1.00 4.59 H new ATOM 0 HG12 ILE A 74 -9.325 9.472 -5.727 1.00 5.49 H new ATOM 0 HG13 ILE A 74 -9.573 7.818 -5.206 1.00 5.49 H new ATOM 0 HG21 ILE A 74 -12.331 10.028 -6.364 1.00 5.66 H new ATOM 0 HG22 ILE A 74 -12.811 10.597 -4.748 1.00 5.66 H new ATOM 0 HG23 ILE A 74 -11.293 11.169 -5.478 1.00 5.66 H new ATOM 0 HD11 ILE A 74 -9.658 7.986 -7.662 1.00 6.58 H new ATOM 0 HD12 ILE A 74 -11.240 7.483 -7.021 1.00 6.58 H new ATOM 0 HD13 ILE A 74 -10.988 9.163 -7.549 1.00 6.58 H new ATOM 1151 N GLU A 75 -12.080 11.225 -2.269 1.00 4.89 N ATOM 1152 CA GLU A 75 -13.213 11.825 -1.595 1.00 6.00 C ATOM 1153 C GLU A 75 -13.504 13.071 -2.439 1.00 6.51 C ATOM 1154 O GLU A 75 -14.672 13.513 -2.467 1.00 7.16 O ATOM 1155 CB GLU A 75 -12.823 12.147 -0.143 1.00 6.99 C ATOM 1156 CG GLU A 75 -14.022 12.556 0.726 1.00 8.19 C ATOM 1157 CD GLU A 75 -13.635 12.762 2.187 1.00 9.44 C ATOM 1158 OE1 GLU A 75 -12.504 13.241 2.422 1.00 10.08 O ATOM 1159 OE2 GLU A 75 -14.478 12.433 3.049 1.00 10.14 O ATOM 1160 OXT GLU A 75 -12.535 13.514 -3.105 1.00 6.65 O ATOM 0 H GLU A 75 -11.452 11.928 -2.659 1.00 4.89 H new ATOM 0 HA GLU A 75 -14.096 11.190 -1.520 1.00 6.00 H new ATOM 0 HB2 GLU A 75 -12.342 11.275 0.300 1.00 6.99 H new ATOM 0 HB3 GLU A 75 -12.088 12.952 -0.140 1.00 6.99 H new ATOM 0 HG2 GLU A 75 -14.455 13.476 0.334 1.00 8.19 H new ATOM 0 HG3 GLU A 75 -14.793 11.788 0.662 1.00 8.19 H new TER 1167 GLU A 75 HETATM 1168 CU CU1 A 76 12.351 6.330 2.639 1.00 1.34 CU