USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 154:sc= -2.93 (180deg=-3.99!) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.0131 (180deg=0.00195) USER MOD Single : A 3 MET CE :methyl -143:sc= -1.78 (180deg=-3.73!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -149:sc= -0.145 (180deg=-1.56) USER MOD Single : A 25 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ -122:sc= 1.13 (180deg=-0.603) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -44:sc= 0.757 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 43:sc= 0.102 USER MOD Single : A 40 ASN : amide:sc= -0.0411 K(o=-0.041,f=-4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.024) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0.754 (180deg=0.56) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0122) USER MOD Single : A 69 ASN : amide:sc= -0.823 X(o=-0.82,f=-0.37) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.963 K(o=0.96,f=-3.1!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS :FLIP no HE2:sc= -0.022 F(o=-0.7,f=-0.022) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 85 HIS : no HE2:sc= -0.137 K(o=-0.14,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.147 13.885 6.718 1.00 55.12 N ATOM 2 CA MET A 1 -3.908 12.647 6.390 1.00 61.21 C ATOM 3 C MET A 1 -2.954 11.475 6.132 1.00 13.32 C ATOM 4 O MET A 1 -2.065 11.560 5.283 1.00 44.44 O ATOM 5 CB MET A 1 -4.808 12.870 5.162 1.00 75.25 C ATOM 6 CG MET A 1 -5.688 11.669 4.816 1.00 54.41 C ATOM 7 SD MET A 1 -6.736 11.951 3.369 1.00 71.24 S ATOM 8 CE MET A 1 -5.502 12.181 2.090 1.00 72.40 C ATOM 0 H1 MET A 1 -3.791 14.589 7.132 1.00 55.12 H new ATOM 0 H2 MET A 1 -2.395 13.660 7.400 1.00 55.12 H new ATOM 0 H3 MET A 1 -2.723 14.272 5.851 1.00 55.12 H new ATOM 0 HA MET A 1 -4.537 12.404 7.246 1.00 61.21 H new ATOM 0 HB2 MET A 1 -5.445 13.736 5.343 1.00 75.25 H new ATOM 0 HB3 MET A 1 -4.182 13.109 4.303 1.00 75.25 H new ATOM 0 HG2 MET A 1 -5.053 10.802 4.634 1.00 54.41 H new ATOM 0 HG3 MET A 1 -6.318 11.429 5.672 1.00 54.41 H new ATOM 0 HE1 MET A 1 -5.925 11.909 1.123 1.00 72.40 H new ATOM 0 HE2 MET A 1 -5.190 13.225 2.069 1.00 72.40 H new ATOM 0 HE3 MET A 1 -4.639 11.549 2.299 1.00 72.40 H new ATOM 20 N GLU A 2 -3.134 10.391 6.882 1.00 63.43 N ATOM 21 CA GLU A 2 -2.306 9.191 6.733 1.00 72.25 C ATOM 22 C GLU A 2 -3.082 8.082 6.007 1.00 43.40 C ATOM 23 O GLU A 2 -4.304 8.156 5.865 1.00 61.13 O ATOM 24 CB GLU A 2 -1.843 8.686 8.112 1.00 71.34 C ATOM 25 CG GLU A 2 -0.963 9.668 8.894 1.00 32.34 C ATOM 26 CD GLU A 2 -1.685 10.950 9.295 1.00 32.14 C ATOM 27 OE1 GLU A 2 -2.567 10.891 10.179 1.00 11.24 O ATOM 28 OE2 GLU A 2 -1.378 12.021 8.729 1.00 32.02 O ATOM 0 H GLU A 2 -3.850 10.316 7.604 1.00 63.43 H new ATOM 0 HA GLU A 2 -1.432 9.454 6.137 1.00 72.25 H new ATOM 0 HB2 GLU A 2 -2.723 8.451 8.712 1.00 71.34 H new ATOM 0 HB3 GLU A 2 -1.292 7.755 7.976 1.00 71.34 H new ATOM 0 HG2 GLU A 2 -0.592 9.174 9.792 1.00 32.34 H new ATOM 0 HG3 GLU A 2 -0.094 9.925 8.289 1.00 32.34 H new ATOM 35 N MET A 3 -2.380 7.054 5.549 1.00 70.22 N ATOM 36 CA MET A 3 -3.025 5.951 4.831 1.00 61.42 C ATOM 37 C MET A 3 -2.372 4.597 5.158 1.00 12.22 C ATOM 38 O MET A 3 -1.191 4.387 4.879 1.00 52.35 O ATOM 39 CB MET A 3 -2.973 6.214 3.320 1.00 21.25 C ATOM 40 CG MET A 3 -3.669 5.151 2.485 1.00 64.24 C ATOM 41 SD MET A 3 -3.680 5.557 0.729 1.00 11.54 S ATOM 42 CE MET A 3 -4.608 4.179 0.069 1.00 23.03 C ATOM 0 H MET A 3 -1.371 6.956 5.658 1.00 70.22 H new ATOM 0 HA MET A 3 -4.064 5.900 5.157 1.00 61.42 H new ATOM 0 HB2 MET A 3 -3.431 7.181 3.114 1.00 21.25 H new ATOM 0 HB3 MET A 3 -1.931 6.282 3.009 1.00 21.25 H new ATOM 0 HG2 MET A 3 -3.169 4.193 2.631 1.00 64.24 H new ATOM 0 HG3 MET A 3 -4.695 5.032 2.834 1.00 64.24 H new ATOM 0 HE1 MET A 3 -4.195 3.892 -0.898 1.00 23.03 H new ATOM 0 HE2 MET A 3 -4.545 3.335 0.756 1.00 23.03 H new ATOM 0 HE3 MET A 3 -5.651 4.469 -0.054 1.00 23.03 H new ATOM 52 N ASP A 4 -3.145 3.689 5.756 1.00 64.41 N ATOM 53 CA ASP A 4 -2.667 2.331 6.048 1.00 71.44 C ATOM 54 C ASP A 4 -3.059 1.351 4.929 1.00 41.05 C ATOM 55 O ASP A 4 -4.214 0.942 4.826 1.00 3.31 O ATOM 56 CB ASP A 4 -3.240 1.836 7.383 1.00 4.51 C ATOM 57 CG ASP A 4 -2.775 2.665 8.565 1.00 33.34 C ATOM 58 OD1 ASP A 4 -1.646 2.450 9.038 1.00 32.11 O ATOM 59 OD2 ASP A 4 -3.547 3.523 9.042 1.00 61.03 O ATOM 0 H ASP A 4 -4.106 3.867 6.049 1.00 64.41 H new ATOM 0 HA ASP A 4 -1.580 2.371 6.112 1.00 71.44 H new ATOM 0 HB2 ASP A 4 -4.329 1.857 7.336 1.00 4.51 H new ATOM 0 HB3 ASP A 4 -2.948 0.797 7.536 1.00 4.51 H new ATOM 64 N ILE A 5 -2.097 0.988 4.087 1.00 23.43 N ATOM 65 CA ILE A 5 -2.325 -0.005 3.033 1.00 2.14 C ATOM 66 C ILE A 5 -1.796 -1.382 3.465 1.00 34.22 C ATOM 67 O ILE A 5 -0.589 -1.598 3.543 1.00 12.12 O ATOM 68 CB ILE A 5 -1.641 0.412 1.707 1.00 35.23 C ATOM 69 CG1 ILE A 5 -2.050 1.844 1.323 1.00 35.34 C ATOM 70 CG2 ILE A 5 -1.998 -0.571 0.590 1.00 71.23 C ATOM 71 CD1 ILE A 5 -1.388 2.353 0.059 1.00 22.53 C ATOM 0 H ILE A 5 -1.149 1.365 4.111 1.00 23.43 H new ATOM 0 HA ILE A 5 -3.401 -0.063 2.868 1.00 2.14 H new ATOM 0 HB ILE A 5 -0.561 0.390 1.849 1.00 35.23 H new ATOM 0 HG12 ILE A 5 -3.132 1.880 1.195 1.00 35.34 H new ATOM 0 HG13 ILE A 5 -1.804 2.515 2.146 1.00 35.34 H new ATOM 0 HG21 ILE A 5 -1.510 -0.264 -0.335 1.00 71.23 H new ATOM 0 HG22 ILE A 5 -1.661 -1.571 0.864 1.00 71.23 H new ATOM 0 HG23 ILE A 5 -3.078 -0.580 0.444 1.00 71.23 H new ATOM 0 HD11 ILE A 5 -1.727 3.369 -0.145 1.00 22.53 H new ATOM 0 HD12 ILE A 5 -0.306 2.351 0.189 1.00 22.53 H new ATOM 0 HD13 ILE A 5 -1.655 1.706 -0.777 1.00 22.53 H new ATOM 83 N ARG A 6 -2.705 -2.307 3.743 1.00 12.41 N ATOM 84 CA ARG A 6 -2.339 -3.638 4.234 1.00 41.44 C ATOM 85 C ARG A 6 -2.365 -4.682 3.105 1.00 61.13 C ATOM 86 O ARG A 6 -3.439 -5.072 2.631 1.00 42.40 O ATOM 87 CB ARG A 6 -3.299 -4.059 5.359 1.00 11.45 C ATOM 88 CG ARG A 6 -3.417 -3.034 6.485 1.00 54.14 C ATOM 89 CD ARG A 6 -4.344 -3.520 7.596 1.00 12.10 C ATOM 90 NE ARG A 6 -3.869 -4.764 8.198 1.00 33.33 N ATOM 91 CZ ARG A 6 -4.360 -5.306 9.277 1.00 64.52 C ATOM 92 NH1 ARG A 6 -5.331 -4.745 9.920 1.00 2.12 N ATOM 93 NH2 ARG A 6 -3.861 -6.412 9.711 1.00 22.35 N ATOM 0 H ARG A 6 -3.709 -2.163 3.637 1.00 12.41 H new ATOM 0 HA ARG A 6 -1.321 -3.588 4.620 1.00 41.44 H new ATOM 0 HB2 ARG A 6 -4.287 -4.233 4.934 1.00 11.45 H new ATOM 0 HB3 ARG A 6 -2.960 -5.007 5.777 1.00 11.45 H new ATOM 0 HG2 ARG A 6 -2.429 -2.832 6.898 1.00 54.14 H new ATOM 0 HG3 ARG A 6 -3.793 -2.093 6.083 1.00 54.14 H new ATOM 0 HD2 ARG A 6 -4.423 -2.752 8.365 1.00 12.10 H new ATOM 0 HD3 ARG A 6 -5.345 -3.671 7.193 1.00 12.10 H new ATOM 0 HE ARG A 6 -3.095 -5.244 7.739 1.00 33.33 H new ATOM 0 HH11 ARG A 6 -5.724 -3.866 9.585 1.00 2.12 H new ATOM 0 HH12 ARG A 6 -5.704 -5.182 10.763 1.00 2.12 H new ATOM 0 HH21 ARG A 6 -3.090 -6.854 9.211 1.00 22.35 H new ATOM 0 HH22 ARG A 6 -4.237 -6.845 10.554 1.00 22.35 H new ATOM 107 N PHE A 7 -1.187 -5.120 2.669 1.00 4.33 N ATOM 108 CA PHE A 7 -1.079 -6.175 1.652 1.00 30.45 C ATOM 109 C PHE A 7 -1.017 -7.565 2.300 1.00 42.31 C ATOM 110 O PHE A 7 -0.178 -7.821 3.162 1.00 40.14 O ATOM 111 CB PHE A 7 0.166 -5.965 0.772 1.00 53.54 C ATOM 112 CG PHE A 7 0.041 -4.843 -0.232 1.00 3.42 C ATOM 113 CD1 PHE A 7 -0.597 -5.055 -1.448 1.00 21.02 C ATOM 114 CD2 PHE A 7 0.573 -3.587 0.029 1.00 52.44 C ATOM 115 CE1 PHE A 7 -0.703 -4.040 -2.379 1.00 2.22 C ATOM 116 CE2 PHE A 7 0.468 -2.569 -0.900 1.00 65.35 C ATOM 117 CZ PHE A 7 -0.170 -2.796 -2.105 1.00 2.42 C ATOM 0 H PHE A 7 -0.291 -4.764 3.001 1.00 4.33 H new ATOM 0 HA PHE A 7 -1.971 -6.116 1.028 1.00 30.45 H new ATOM 0 HB2 PHE A 7 1.022 -5.765 1.417 1.00 53.54 H new ATOM 0 HB3 PHE A 7 0.379 -6.891 0.238 1.00 53.54 H new ATOM 0 HD1 PHE A 7 -1.015 -6.026 -1.668 1.00 21.02 H new ATOM 0 HD2 PHE A 7 1.074 -3.404 0.968 1.00 52.44 H new ATOM 0 HE1 PHE A 7 -1.202 -4.219 -3.320 1.00 2.22 H new ATOM 0 HE2 PHE A 7 0.884 -1.596 -0.684 1.00 65.35 H new ATOM 0 HZ PHE A 7 -0.252 -2.001 -2.832 1.00 2.42 H new ATOM 127 N ARG A 8 -1.899 -8.461 1.872 1.00 11.04 N ATOM 128 CA ARG A 8 -1.928 -9.835 2.383 1.00 44.33 C ATOM 129 C ARG A 8 -1.879 -10.835 1.213 1.00 62.44 C ATOM 130 O ARG A 8 -2.763 -10.842 0.357 1.00 4.53 O ATOM 131 CB ARG A 8 -3.199 -10.050 3.223 1.00 3.15 C ATOM 132 CG ARG A 8 -3.220 -11.361 4.001 1.00 21.21 C ATOM 133 CD ARG A 8 -4.519 -11.537 4.785 1.00 61.14 C ATOM 134 NE ARG A 8 -4.478 -12.706 5.664 1.00 14.14 N ATOM 135 CZ ARG A 8 -4.756 -13.926 5.290 1.00 40.11 C ATOM 136 NH1 ARG A 8 -5.079 -14.188 4.064 1.00 62.02 N ATOM 137 NH2 ARG A 8 -4.704 -14.889 6.149 1.00 74.55 N ATOM 0 H ARG A 8 -2.610 -8.263 1.168 1.00 11.04 H new ATOM 0 HA ARG A 8 -1.056 -10.002 3.016 1.00 44.33 H new ATOM 0 HB2 ARG A 8 -3.301 -9.222 3.925 1.00 3.15 H new ATOM 0 HB3 ARG A 8 -4.066 -10.018 2.564 1.00 3.15 H new ATOM 0 HG2 ARG A 8 -3.097 -12.195 3.310 1.00 21.21 H new ATOM 0 HG3 ARG A 8 -2.374 -11.389 4.688 1.00 21.21 H new ATOM 0 HD2 ARG A 8 -4.707 -10.643 5.380 1.00 61.14 H new ATOM 0 HD3 ARG A 8 -5.351 -11.637 4.088 1.00 61.14 H new ATOM 0 HE ARG A 8 -4.214 -12.558 6.638 1.00 14.14 H new ATOM 0 HH11 ARG A 8 -5.119 -13.437 3.375 1.00 62.02 H new ATOM 0 HH12 ARG A 8 -5.293 -15.146 3.787 1.00 62.02 H new ATOM 0 HH21 ARG A 8 -4.446 -14.696 7.117 1.00 74.55 H new ATOM 0 HH22 ARG A 8 -4.921 -15.843 5.860 1.00 74.55 H new ATOM 151 N GLY A 9 -0.856 -11.686 1.183 1.00 74.42 N ATOM 152 CA GLY A 9 -0.648 -12.564 0.028 1.00 15.13 C ATOM 153 C GLY A 9 -0.148 -13.955 0.394 1.00 14.13 C ATOM 154 O GLY A 9 -0.121 -14.327 1.566 1.00 21.12 O ATOM 0 H GLY A 9 -0.168 -11.788 1.929 1.00 74.42 H new ATOM 0 HA2 GLY A 9 -1.586 -12.658 -0.519 1.00 15.13 H new ATOM 0 HA3 GLY A 9 0.069 -12.097 -0.647 1.00 15.13 H new ATOM 158 N ASP A 10 0.240 -14.732 -0.613 1.00 22.53 N ATOM 159 CA ASP A 10 0.714 -16.103 -0.394 1.00 62.44 C ATOM 160 C ASP A 10 2.249 -16.224 -0.506 1.00 54.21 C ATOM 161 O ASP A 10 2.887 -16.848 0.346 1.00 72.41 O ATOM 162 CB ASP A 10 0.012 -17.062 -1.363 1.00 54.32 C ATOM 163 CG ASP A 10 0.038 -16.567 -2.796 1.00 42.04 C ATOM 164 OD1 ASP A 10 -0.790 -15.695 -3.145 1.00 64.33 O ATOM 165 OD2 ASP A 10 0.878 -17.047 -3.576 1.00 23.05 O ATOM 0 H ASP A 10 0.237 -14.440 -1.590 1.00 22.53 H new ATOM 0 HA ASP A 10 0.458 -16.379 0.629 1.00 62.44 H new ATOM 0 HB2 ASP A 10 0.491 -18.040 -1.312 1.00 54.32 H new ATOM 0 HB3 ASP A 10 -1.023 -17.197 -1.048 1.00 54.32 H new ATOM 170 N ASP A 11 2.844 -15.646 -1.551 1.00 54.33 N ATOM 171 CA ASP A 11 4.308 -15.650 -1.695 1.00 73.43 C ATOM 172 C ASP A 11 4.927 -14.301 -1.269 1.00 24.21 C ATOM 173 O ASP A 11 4.282 -13.253 -1.345 1.00 60.14 O ATOM 174 CB ASP A 11 4.710 -16.002 -3.135 1.00 73.14 C ATOM 175 CG ASP A 11 4.264 -14.969 -4.160 1.00 0.12 C ATOM 176 OD1 ASP A 11 5.002 -13.987 -4.371 1.00 72.23 O ATOM 177 OD2 ASP A 11 3.194 -15.152 -4.776 1.00 54.51 O ATOM 0 H ASP A 11 2.345 -15.173 -2.304 1.00 54.33 H new ATOM 0 HA ASP A 11 4.702 -16.416 -1.027 1.00 73.43 H new ATOM 0 HB2 ASP A 11 5.794 -16.108 -3.186 1.00 73.14 H new ATOM 0 HB3 ASP A 11 4.283 -16.970 -3.397 1.00 73.14 H new ATOM 182 N LEU A 12 6.185 -14.337 -0.821 1.00 11.23 N ATOM 183 CA LEU A 12 6.871 -13.133 -0.325 1.00 32.24 C ATOM 184 C LEU A 12 7.079 -12.087 -1.431 1.00 52.41 C ATOM 185 O LEU A 12 6.988 -10.881 -1.186 1.00 61.51 O ATOM 186 CB LEU A 12 8.230 -13.507 0.285 1.00 44.12 C ATOM 187 CG LEU A 12 9.045 -12.323 0.838 1.00 72.40 C ATOM 188 CD1 LEU A 12 8.330 -11.677 2.024 1.00 72.44 C ATOM 189 CD2 LEU A 12 10.455 -12.765 1.226 1.00 52.24 C ATOM 0 H LEU A 12 6.752 -15.185 -0.790 1.00 11.23 H new ATOM 0 HA LEU A 12 6.230 -12.692 0.438 1.00 32.24 H new ATOM 0 HB2 LEU A 12 8.065 -14.222 1.091 1.00 44.12 H new ATOM 0 HB3 LEU A 12 8.825 -14.014 -0.475 1.00 44.12 H new ATOM 0 HG LEU A 12 9.132 -11.576 0.049 1.00 72.40 H new ATOM 0 HD11 LEU A 12 8.925 -10.843 2.397 1.00 72.44 H new ATOM 0 HD12 LEU A 12 7.354 -11.312 1.705 1.00 72.44 H new ATOM 0 HD13 LEU A 12 8.201 -12.414 2.816 1.00 72.44 H new ATOM 0 HD21 LEU A 12 11.010 -11.911 1.614 1.00 52.24 H new ATOM 0 HD22 LEU A 12 10.396 -13.538 1.993 1.00 52.24 H new ATOM 0 HD23 LEU A 12 10.966 -13.162 0.349 1.00 52.24 H new ATOM 201 N GLU A 13 7.359 -12.556 -2.642 1.00 42.15 N ATOM 202 CA GLU A 13 7.630 -11.669 -3.781 1.00 74.12 C ATOM 203 C GLU A 13 6.444 -10.730 -4.050 1.00 33.42 C ATOM 204 O GLU A 13 6.631 -9.586 -4.472 1.00 71.00 O ATOM 205 CB GLU A 13 7.961 -12.495 -5.036 1.00 11.51 C ATOM 206 CG GLU A 13 9.316 -13.207 -4.984 1.00 34.33 C ATOM 207 CD GLU A 13 9.482 -14.122 -3.776 1.00 65.21 C ATOM 208 OE1 GLU A 13 8.641 -15.028 -3.584 1.00 1.30 O ATOM 209 OE2 GLU A 13 10.460 -13.947 -3.015 1.00 21.33 O ATOM 0 H GLU A 13 7.406 -13.550 -2.867 1.00 42.15 H new ATOM 0 HA GLU A 13 8.493 -11.052 -3.530 1.00 74.12 H new ATOM 0 HB2 GLU A 13 7.178 -13.239 -5.183 1.00 11.51 H new ATOM 0 HB3 GLU A 13 7.943 -11.837 -5.905 1.00 11.51 H new ATOM 0 HG2 GLU A 13 9.443 -13.794 -5.893 1.00 34.33 H new ATOM 0 HG3 GLU A 13 10.109 -12.459 -4.974 1.00 34.33 H new ATOM 216 N ALA A 14 5.230 -11.215 -3.790 1.00 75.12 N ATOM 217 CA ALA A 14 4.025 -10.385 -3.884 1.00 50.03 C ATOM 218 C ALA A 14 4.137 -9.140 -2.986 1.00 1.44 C ATOM 219 O ALA A 14 3.830 -8.024 -3.406 1.00 31.21 O ATOM 220 CB ALA A 14 2.793 -11.207 -3.513 1.00 10.21 C ATOM 0 H ALA A 14 5.053 -12.180 -3.512 1.00 75.12 H new ATOM 0 HA ALA A 14 3.924 -10.043 -4.914 1.00 50.03 H new ATOM 0 HB1 ALA A 14 1.903 -10.582 -3.586 1.00 10.21 H new ATOM 0 HB2 ALA A 14 2.700 -12.052 -4.196 1.00 10.21 H new ATOM 0 HB3 ALA A 14 2.895 -11.575 -2.492 1.00 10.21 H new ATOM 226 N PHE A 15 4.594 -9.346 -1.748 1.00 70.12 N ATOM 227 CA PHE A 15 4.828 -8.242 -0.808 1.00 2.12 C ATOM 228 C PHE A 15 5.994 -7.361 -1.281 1.00 13.45 C ATOM 229 O PHE A 15 5.899 -6.135 -1.297 1.00 31.33 O ATOM 230 CB PHE A 15 5.149 -8.787 0.594 1.00 70.20 C ATOM 231 CG PHE A 15 4.072 -9.661 1.189 1.00 0.23 C ATOM 232 CD1 PHE A 15 3.057 -9.111 1.960 1.00 73.03 C ATOM 233 CD2 PHE A 15 4.083 -11.033 0.987 1.00 15.33 C ATOM 234 CE1 PHE A 15 2.079 -9.914 2.516 1.00 13.14 C ATOM 235 CE2 PHE A 15 3.105 -11.838 1.539 1.00 75.13 C ATOM 236 CZ PHE A 15 2.103 -11.278 2.304 1.00 13.25 C ATOM 0 H PHE A 15 4.810 -10.269 -1.371 1.00 70.12 H new ATOM 0 HA PHE A 15 3.918 -7.643 -0.767 1.00 2.12 H new ATOM 0 HB2 PHE A 15 6.076 -9.358 0.544 1.00 70.20 H new ATOM 0 HB3 PHE A 15 5.328 -7.946 1.264 1.00 70.20 H new ATOM 0 HD1 PHE A 15 3.031 -8.044 2.127 1.00 73.03 H new ATOM 0 HD2 PHE A 15 4.866 -11.478 0.391 1.00 15.33 H new ATOM 0 HE1 PHE A 15 1.296 -9.474 3.116 1.00 13.14 H new ATOM 0 HE2 PHE A 15 3.125 -12.905 1.372 1.00 75.13 H new ATOM 0 HZ PHE A 15 1.338 -11.906 2.737 1.00 13.25 H new ATOM 246 N GLU A 16 7.091 -8.011 -1.664 1.00 52.34 N ATOM 247 CA GLU A 16 8.313 -7.328 -2.108 1.00 4.15 C ATOM 248 C GLU A 16 8.040 -6.337 -3.254 1.00 64.14 C ATOM 249 O GLU A 16 8.312 -5.141 -3.137 1.00 32.42 O ATOM 250 CB GLU A 16 9.335 -8.381 -2.566 1.00 40.32 C ATOM 251 CG GLU A 16 10.641 -7.815 -3.121 1.00 71.42 C ATOM 252 CD GLU A 16 11.526 -7.188 -2.054 1.00 14.34 C ATOM 253 OE1 GLU A 16 11.875 -7.891 -1.082 1.00 40.33 O ATOM 254 OE2 GLU A 16 11.889 -6.002 -2.191 1.00 33.04 O ATOM 0 H GLU A 16 7.162 -9.028 -1.677 1.00 52.34 H new ATOM 0 HA GLU A 16 8.704 -6.753 -1.268 1.00 4.15 H new ATOM 0 HB2 GLU A 16 9.568 -9.031 -1.722 1.00 40.32 H new ATOM 0 HB3 GLU A 16 8.873 -9.005 -3.331 1.00 40.32 H new ATOM 0 HG2 GLU A 16 11.193 -8.613 -3.618 1.00 71.42 H new ATOM 0 HG3 GLU A 16 10.411 -7.066 -3.879 1.00 71.42 H new ATOM 261 N LYS A 17 7.486 -6.845 -4.353 1.00 40.14 N ATOM 262 CA LYS A 17 7.235 -6.028 -5.543 1.00 52.45 C ATOM 263 C LYS A 17 6.187 -4.935 -5.269 1.00 63.44 C ATOM 264 O LYS A 17 6.401 -3.770 -5.601 1.00 42.44 O ATOM 265 CB LYS A 17 6.782 -6.917 -6.711 1.00 75.31 C ATOM 266 CG LYS A 17 7.776 -8.022 -7.077 1.00 63.23 C ATOM 267 CD LYS A 17 9.116 -7.459 -7.550 1.00 2.51 C ATOM 268 CE LYS A 17 10.117 -8.568 -7.869 1.00 32.42 C ATOM 269 NZ LYS A 17 11.396 -8.024 -8.397 1.00 34.32 N ATOM 0 H LYS A 17 7.201 -7.820 -4.446 1.00 40.14 H new ATOM 0 HA LYS A 17 8.169 -5.533 -5.810 1.00 52.45 H new ATOM 0 HB2 LYS A 17 5.825 -7.373 -6.457 1.00 75.31 H new ATOM 0 HB3 LYS A 17 6.613 -6.290 -7.587 1.00 75.31 H new ATOM 0 HG2 LYS A 17 7.939 -8.664 -6.211 1.00 63.23 H new ATOM 0 HG3 LYS A 17 7.349 -8.647 -7.861 1.00 63.23 H new ATOM 0 HD2 LYS A 17 8.959 -6.845 -8.437 1.00 2.51 H new ATOM 0 HD3 LYS A 17 9.529 -6.807 -6.780 1.00 2.51 H new ATOM 0 HE2 LYS A 17 10.314 -9.150 -6.968 1.00 32.42 H new ATOM 0 HE3 LYS A 17 9.683 -9.250 -8.600 1.00 32.42 H new ATOM 0 HZ1 LYS A 17 12.049 -8.808 -8.601 1.00 34.32 H new ATOM 0 HZ2 LYS A 17 11.212 -7.490 -9.270 1.00 34.32 H new ATOM 0 HZ3 LYS A 17 11.823 -7.393 -7.689 1.00 34.32 H new ATOM 283 N ALA A 18 5.063 -5.311 -4.651 1.00 35.30 N ATOM 284 CA ALA A 18 3.994 -4.351 -4.333 1.00 73.14 C ATOM 285 C ALA A 18 4.511 -3.199 -3.452 1.00 4.01 C ATOM 286 O ALA A 18 4.315 -2.022 -3.767 1.00 2.00 O ATOM 287 CB ALA A 18 2.832 -5.063 -3.648 1.00 72.31 C ATOM 0 H ALA A 18 4.867 -6.269 -4.361 1.00 35.30 H new ATOM 0 HA ALA A 18 3.644 -3.919 -5.271 1.00 73.14 H new ATOM 0 HB1 ALA A 18 2.048 -4.342 -3.418 1.00 72.31 H new ATOM 0 HB2 ALA A 18 2.435 -5.832 -4.311 1.00 72.31 H new ATOM 0 HB3 ALA A 18 3.182 -5.525 -2.725 1.00 72.31 H new ATOM 293 N LEU A 19 5.181 -3.548 -2.356 1.00 65.43 N ATOM 294 CA LEU A 19 5.776 -2.557 -1.448 1.00 14.21 C ATOM 295 C LEU A 19 6.781 -1.654 -2.182 1.00 72.12 C ATOM 296 O LEU A 19 6.774 -0.431 -2.023 1.00 62.03 O ATOM 297 CB LEU A 19 6.476 -3.272 -0.283 1.00 12.00 C ATOM 298 CG LEU A 19 7.311 -2.377 0.656 1.00 23.40 C ATOM 299 CD1 LEU A 19 6.433 -1.349 1.366 1.00 70.03 C ATOM 300 CD2 LEU A 19 8.074 -3.227 1.671 1.00 22.14 C ATOM 0 H LEU A 19 5.329 -4.516 -2.070 1.00 65.43 H new ATOM 0 HA LEU A 19 4.973 -1.927 -1.065 1.00 14.21 H new ATOM 0 HB2 LEU A 19 5.718 -3.782 0.312 1.00 12.00 H new ATOM 0 HB3 LEU A 19 7.129 -4.042 -0.695 1.00 12.00 H new ATOM 0 HG LEU A 19 8.034 -1.834 0.046 1.00 23.40 H new ATOM 0 HD11 LEU A 19 7.050 -0.733 2.020 1.00 70.03 H new ATOM 0 HD12 LEU A 19 5.944 -0.715 0.626 1.00 70.03 H new ATOM 0 HD13 LEU A 19 5.677 -1.864 1.959 1.00 70.03 H new ATOM 0 HD21 LEU A 19 8.657 -2.578 2.324 1.00 22.14 H new ATOM 0 HD22 LEU A 19 7.367 -3.802 2.268 1.00 22.14 H new ATOM 0 HD23 LEU A 19 8.743 -3.908 1.145 1.00 22.14 H new ATOM 312 N LYS A 20 7.635 -2.268 -2.995 1.00 63.32 N ATOM 313 CA LYS A 20 8.700 -1.544 -3.688 1.00 51.34 C ATOM 314 C LYS A 20 8.138 -0.573 -4.740 1.00 43.11 C ATOM 315 O LYS A 20 8.727 0.476 -4.999 1.00 52.01 O ATOM 316 CB LYS A 20 9.666 -2.543 -4.328 1.00 4.44 C ATOM 317 CG LYS A 20 11.034 -1.954 -4.671 1.00 15.54 C ATOM 318 CD LYS A 20 12.112 -3.027 -4.620 1.00 21.12 C ATOM 319 CE LYS A 20 13.508 -2.464 -4.847 1.00 21.33 C ATOM 320 NZ LYS A 20 14.549 -3.516 -4.703 1.00 54.45 N ATOM 0 H LYS A 20 7.611 -3.269 -3.192 1.00 63.32 H new ATOM 0 HA LYS A 20 9.238 -0.942 -2.956 1.00 51.34 H new ATOM 0 HB2 LYS A 20 9.804 -3.385 -3.649 1.00 4.44 H new ATOM 0 HB3 LYS A 20 9.214 -2.938 -5.238 1.00 4.44 H new ATOM 0 HG2 LYS A 20 11.004 -1.509 -5.665 1.00 15.54 H new ATOM 0 HG3 LYS A 20 11.277 -1.155 -3.971 1.00 15.54 H new ATOM 0 HD2 LYS A 20 12.078 -3.525 -3.651 1.00 21.12 H new ATOM 0 HD3 LYS A 20 11.902 -3.784 -5.375 1.00 21.12 H new ATOM 0 HE2 LYS A 20 13.567 -2.026 -5.843 1.00 21.33 H new ATOM 0 HE3 LYS A 20 13.699 -1.662 -4.134 1.00 21.33 H new ATOM 0 HZ1 LYS A 20 15.488 -3.099 -4.864 1.00 54.45 H new ATOM 0 HZ2 LYS A 20 14.507 -3.917 -3.744 1.00 54.45 H new ATOM 0 HZ3 LYS A 20 14.380 -4.269 -5.400 1.00 54.45 H new ATOM 334 N GLU A 21 7.004 -0.925 -5.346 1.00 14.32 N ATOM 335 CA GLU A 21 6.317 -0.023 -6.280 1.00 34.12 C ATOM 336 C GLU A 21 5.693 1.174 -5.548 1.00 73.31 C ATOM 337 O GLU A 21 5.725 2.304 -6.044 1.00 32.53 O ATOM 338 CB GLU A 21 5.243 -0.780 -7.076 1.00 54.31 C ATOM 339 CG GLU A 21 5.813 -1.770 -8.087 1.00 64.40 C ATOM 340 CD GLU A 21 6.682 -1.100 -9.143 1.00 13.43 C ATOM 341 OE1 GLU A 21 6.128 -0.553 -10.117 1.00 41.11 O ATOM 342 OE2 GLU A 21 7.923 -1.118 -9.008 1.00 33.22 O ATOM 0 H GLU A 21 6.541 -1.823 -5.210 1.00 14.32 H new ATOM 0 HA GLU A 21 7.064 0.360 -6.976 1.00 34.12 H new ATOM 0 HB2 GLU A 21 4.598 -1.316 -6.380 1.00 54.31 H new ATOM 0 HB3 GLU A 21 4.616 -0.059 -7.601 1.00 54.31 H new ATOM 0 HG2 GLU A 21 6.402 -2.521 -7.561 1.00 64.40 H new ATOM 0 HG3 GLU A 21 4.993 -2.295 -8.577 1.00 64.40 H new ATOM 349 N MET A 22 5.130 0.922 -4.366 1.00 43.54 N ATOM 350 CA MET A 22 4.609 2.002 -3.521 1.00 75.54 C ATOM 351 C MET A 22 5.730 2.988 -3.154 1.00 1.24 C ATOM 352 O MET A 22 5.601 4.192 -3.365 1.00 33.13 O ATOM 353 CB MET A 22 3.962 1.434 -2.250 1.00 22.34 C ATOM 354 CG MET A 22 2.741 0.560 -2.521 1.00 30.03 C ATOM 355 SD MET A 22 1.483 1.402 -3.508 1.00 24.31 S ATOM 356 CE MET A 22 1.113 2.821 -2.478 1.00 34.31 C ATOM 0 H MET A 22 5.022 -0.013 -3.972 1.00 43.54 H new ATOM 0 HA MET A 22 3.846 2.537 -4.086 1.00 75.54 H new ATOM 0 HB2 MET A 22 4.703 0.849 -1.706 1.00 22.34 H new ATOM 0 HB3 MET A 22 3.670 2.260 -1.601 1.00 22.34 H new ATOM 0 HG2 MET A 22 3.056 -0.346 -3.038 1.00 30.03 H new ATOM 0 HG3 MET A 22 2.304 0.250 -1.572 1.00 30.03 H new ATOM 0 HE1 MET A 22 0.071 3.109 -2.617 1.00 34.31 H new ATOM 0 HE2 MET A 22 1.283 2.566 -1.432 1.00 34.31 H new ATOM 0 HE3 MET A 22 1.760 3.652 -2.758 1.00 34.31 H new ATOM 366 N ILE A 23 6.836 2.462 -2.621 1.00 50.35 N ATOM 367 CA ILE A 23 8.018 3.278 -2.300 1.00 13.22 C ATOM 368 C ILE A 23 8.549 4.006 -3.550 1.00 63.35 C ATOM 369 O ILE A 23 8.930 5.176 -3.492 1.00 70.14 O ATOM 370 CB ILE A 23 9.147 2.395 -1.699 1.00 43.23 C ATOM 371 CG1 ILE A 23 8.678 1.739 -0.387 1.00 5.13 C ATOM 372 CG2 ILE A 23 10.422 3.212 -1.470 1.00 13.42 C ATOM 373 CD1 ILE A 23 9.709 0.822 0.246 1.00 53.44 C ATOM 0 H ILE A 23 6.941 1.472 -2.401 1.00 50.35 H new ATOM 0 HA ILE A 23 7.711 4.022 -1.565 1.00 13.22 H new ATOM 0 HB ILE A 23 9.378 1.607 -2.416 1.00 43.23 H new ATOM 0 HG12 ILE A 23 8.416 2.521 0.325 1.00 5.13 H new ATOM 0 HG13 ILE A 23 7.770 1.168 -0.582 1.00 5.13 H new ATOM 0 HG21 ILE A 23 11.195 2.569 -1.049 1.00 13.42 H new ATOM 0 HG22 ILE A 23 10.767 3.621 -2.419 1.00 13.42 H new ATOM 0 HG23 ILE A 23 10.212 4.028 -0.778 1.00 13.42 H new ATOM 0 HD11 ILE A 23 9.304 0.399 1.165 1.00 53.44 H new ATOM 0 HD12 ILE A 23 9.954 0.017 -0.447 1.00 53.44 H new ATOM 0 HD13 ILE A 23 10.610 1.391 0.475 1.00 53.44 H new ATOM 385 N ARG A 24 8.545 3.296 -4.677 1.00 64.33 N ATOM 386 CA ARG A 24 9.006 3.826 -5.969 1.00 31.02 C ATOM 387 C ARG A 24 8.392 5.207 -6.274 1.00 10.31 C ATOM 388 O ARG A 24 9.111 6.189 -6.470 1.00 61.22 O ATOM 389 CB ARG A 24 8.626 2.822 -7.067 1.00 51.21 C ATOM 390 CG ARG A 24 9.138 3.146 -8.468 1.00 32.12 C ATOM 391 CD ARG A 24 8.634 2.107 -9.468 1.00 21.32 C ATOM 392 NE ARG A 24 9.192 2.272 -10.809 1.00 73.54 N ATOM 393 CZ ARG A 24 9.101 1.365 -11.747 1.00 51.45 C ATOM 394 NH1 ARG A 24 8.490 0.241 -11.529 1.00 40.43 N ATOM 395 NH2 ARG A 24 9.610 1.586 -12.913 1.00 51.22 N ATOM 0 H ARG A 24 8.221 2.330 -4.725 1.00 64.33 H new ATOM 0 HA ARG A 24 10.087 3.960 -5.930 1.00 31.02 H new ATOM 0 HB2 ARG A 24 9.002 1.840 -6.781 1.00 51.21 H new ATOM 0 HB3 ARG A 24 7.539 2.748 -7.106 1.00 51.21 H new ATOM 0 HG2 ARG A 24 8.802 4.140 -8.765 1.00 32.12 H new ATOM 0 HG3 ARG A 24 10.228 3.164 -8.470 1.00 32.12 H new ATOM 0 HD2 ARG A 24 8.880 1.111 -9.100 1.00 21.32 H new ATOM 0 HD3 ARG A 24 7.547 2.166 -9.525 1.00 21.32 H new ATOM 0 HE ARG A 24 9.679 3.142 -11.025 1.00 73.54 H new ATOM 0 HH11 ARG A 24 8.073 0.056 -10.617 1.00 40.43 H new ATOM 0 HH12 ARG A 24 8.427 -0.457 -12.270 1.00 40.43 H new ATOM 0 HH21 ARG A 24 10.084 2.469 -13.104 1.00 51.22 H new ATOM 0 HH22 ARG A 24 9.538 0.878 -13.643 1.00 51.22 H new ATOM 409 N GLN A 25 7.061 5.275 -6.322 1.00 1.31 N ATOM 410 CA GLN A 25 6.361 6.548 -6.566 1.00 1.11 C ATOM 411 C GLN A 25 6.354 7.459 -5.329 1.00 14.30 C ATOM 412 O GLN A 25 6.502 8.675 -5.447 1.00 13.01 O ATOM 413 CB GLN A 25 4.920 6.304 -7.025 1.00 12.12 C ATOM 414 CG GLN A 25 4.810 5.638 -8.390 1.00 42.00 C ATOM 415 CD GLN A 25 3.379 5.591 -8.891 1.00 44.44 C ATOM 416 OE1 GLN A 25 2.913 6.503 -9.570 1.00 41.21 O ATOM 417 NE2 GLN A 25 2.668 4.540 -8.556 1.00 73.54 N ATOM 0 H GLN A 25 6.445 4.472 -6.197 1.00 1.31 H new ATOM 0 HA GLN A 25 6.915 7.055 -7.356 1.00 1.11 H new ATOM 0 HB2 GLN A 25 4.415 5.682 -6.287 1.00 12.12 H new ATOM 0 HB3 GLN A 25 4.392 7.257 -7.053 1.00 12.12 H new ATOM 0 HG2 GLN A 25 5.427 6.180 -9.107 1.00 42.00 H new ATOM 0 HG3 GLN A 25 5.206 4.624 -8.331 1.00 42.00 H new ATOM 0 HE21 GLN A 25 3.086 3.801 -7.991 1.00 73.54 H new ATOM 0 HE22 GLN A 25 1.698 4.463 -8.861 1.00 73.54 H new ATOM 426 N ALA A 26 6.177 6.867 -4.147 1.00 11.23 N ATOM 427 CA ALA A 26 6.046 7.631 -2.896 1.00 31.55 C ATOM 428 C ALA A 26 7.230 8.582 -2.659 1.00 74.41 C ATOM 429 O ALA A 26 7.075 9.631 -2.035 1.00 21.14 O ATOM 430 CB ALA A 26 5.893 6.680 -1.718 1.00 1.51 C ATOM 0 H ALA A 26 6.120 5.856 -4.025 1.00 11.23 H new ATOM 0 HA ALA A 26 5.153 8.249 -2.988 1.00 31.55 H new ATOM 0 HB1 ALA A 26 5.797 7.255 -0.797 1.00 1.51 H new ATOM 0 HB2 ALA A 26 5.002 6.067 -1.858 1.00 1.51 H new ATOM 0 HB3 ALA A 26 6.770 6.036 -1.654 1.00 1.51 H new ATOM 436 N ARG A 27 8.410 8.211 -3.154 1.00 63.32 N ATOM 437 CA ARG A 27 9.604 9.059 -3.033 1.00 33.30 C ATOM 438 C ARG A 27 9.411 10.430 -3.707 1.00 33.43 C ATOM 439 O ARG A 27 10.017 11.422 -3.296 1.00 52.23 O ATOM 440 CB ARG A 27 10.828 8.353 -3.629 1.00 20.12 C ATOM 441 CG ARG A 27 11.279 7.127 -2.840 1.00 33.44 C ATOM 442 CD ARG A 27 12.522 6.490 -3.452 1.00 14.41 C ATOM 443 NE ARG A 27 13.622 7.447 -3.572 1.00 43.34 N ATOM 444 CZ ARG A 27 14.799 7.156 -4.057 1.00 44.54 C ATOM 445 NH1 ARG A 27 15.080 5.948 -4.432 1.00 41.32 N ATOM 446 NH2 ARG A 27 15.698 8.081 -4.154 1.00 71.13 N ATOM 0 H ARG A 27 8.569 7.330 -3.643 1.00 63.32 H new ATOM 0 HA ARG A 27 9.768 9.231 -1.969 1.00 33.30 H new ATOM 0 HB2 ARG A 27 10.599 8.051 -4.651 1.00 20.12 H new ATOM 0 HB3 ARG A 27 11.654 9.062 -3.683 1.00 20.12 H new ATOM 0 HG2 ARG A 27 11.487 7.414 -1.809 1.00 33.44 H new ATOM 0 HG3 ARG A 27 10.472 6.395 -2.811 1.00 33.44 H new ATOM 0 HD2 ARG A 27 12.839 5.648 -2.837 1.00 14.41 H new ATOM 0 HD3 ARG A 27 12.278 6.091 -4.437 1.00 14.41 H new ATOM 0 HE ARG A 27 13.459 8.403 -3.256 1.00 43.34 H new ATOM 0 HH11 ARG A 27 14.378 5.212 -4.350 1.00 41.32 H new ATOM 0 HH12 ARG A 27 16.003 5.733 -4.809 1.00 41.32 H new ATOM 0 HH21 ARG A 27 15.486 9.032 -3.852 1.00 71.13 H new ATOM 0 HH22 ARG A 27 16.619 7.859 -4.532 1.00 71.13 H new ATOM 460 N LYS A 28 8.574 10.480 -4.742 1.00 14.34 N ATOM 461 CA LYS A 28 8.290 11.735 -5.454 1.00 33.04 C ATOM 462 C LYS A 28 7.377 12.658 -4.630 1.00 61.42 C ATOM 463 O LYS A 28 7.249 13.842 -4.929 1.00 71.10 O ATOM 464 CB LYS A 28 7.640 11.456 -6.821 1.00 21.44 C ATOM 465 CG LYS A 28 8.588 10.874 -7.872 1.00 1.21 C ATOM 466 CD LYS A 28 9.044 9.458 -7.533 1.00 2.43 C ATOM 467 CE LYS A 28 9.990 8.903 -8.591 1.00 23.55 C ATOM 468 NZ LYS A 28 10.389 7.500 -8.304 1.00 61.31 N ATOM 0 H LYS A 28 8.078 9.668 -5.110 1.00 14.34 H new ATOM 0 HA LYS A 28 9.244 12.239 -5.607 1.00 33.04 H new ATOM 0 HB2 LYS A 28 6.809 10.765 -6.679 1.00 21.44 H new ATOM 0 HB3 LYS A 28 7.220 12.386 -7.205 1.00 21.44 H new ATOM 0 HG2 LYS A 28 8.090 10.869 -8.842 1.00 1.21 H new ATOM 0 HG3 LYS A 28 9.461 11.520 -7.966 1.00 1.21 H new ATOM 0 HD2 LYS A 28 9.542 9.458 -6.563 1.00 2.43 H new ATOM 0 HD3 LYS A 28 8.174 8.807 -7.445 1.00 2.43 H new ATOM 0 HE2 LYS A 28 9.508 8.950 -9.568 1.00 23.55 H new ATOM 0 HE3 LYS A 28 10.881 9.529 -8.644 1.00 23.55 H new ATOM 0 HZ1 LYS A 28 11.425 7.442 -8.229 1.00 61.31 H new ATOM 0 HZ2 LYS A 28 9.959 7.193 -7.408 1.00 61.31 H new ATOM 0 HZ3 LYS A 28 10.063 6.882 -9.074 1.00 61.31 H new ATOM 482 N PHE A 29 6.744 12.109 -3.596 1.00 15.12 N ATOM 483 CA PHE A 29 5.833 12.879 -2.743 1.00 13.31 C ATOM 484 C PHE A 29 6.428 13.079 -1.341 1.00 20.31 C ATOM 485 O PHE A 29 7.176 12.233 -0.845 1.00 0.40 O ATOM 486 CB PHE A 29 4.478 12.162 -2.644 1.00 14.10 C ATOM 487 CG PHE A 29 3.873 11.837 -3.989 1.00 20.15 C ATOM 488 CD1 PHE A 29 3.301 12.832 -4.770 1.00 32.13 C ATOM 489 CD2 PHE A 29 3.881 10.535 -4.475 1.00 71.53 C ATOM 490 CE1 PHE A 29 2.753 12.538 -6.004 1.00 71.14 C ATOM 491 CE2 PHE A 29 3.333 10.238 -5.707 1.00 72.12 C ATOM 492 CZ PHE A 29 2.769 11.239 -6.473 1.00 23.22 C ATOM 0 H PHE A 29 6.844 11.131 -3.325 1.00 15.12 H new ATOM 0 HA PHE A 29 5.689 13.861 -3.194 1.00 13.31 H new ATOM 0 HB2 PHE A 29 4.604 11.239 -2.078 1.00 14.10 H new ATOM 0 HB3 PHE A 29 3.784 12.788 -2.083 1.00 14.10 H new ATOM 0 HD1 PHE A 29 3.284 13.849 -4.408 1.00 32.13 H new ATOM 0 HD2 PHE A 29 4.321 9.747 -3.882 1.00 71.53 H new ATOM 0 HE1 PHE A 29 2.313 13.323 -6.601 1.00 71.14 H new ATOM 0 HE2 PHE A 29 3.345 9.222 -6.072 1.00 72.12 H new ATOM 0 HZ PHE A 29 2.341 11.007 -7.437 1.00 23.22 H new ATOM 502 N ALA A 30 6.088 14.194 -0.698 1.00 42.43 N ATOM 503 CA ALA A 30 6.583 14.489 0.653 1.00 61.30 C ATOM 504 C ALA A 30 5.815 13.693 1.723 1.00 2.40 C ATOM 505 O ALA A 30 5.205 14.264 2.632 1.00 24.03 O ATOM 506 CB ALA A 30 6.492 15.987 0.925 1.00 33.53 C ATOM 0 H ALA A 30 5.473 14.909 -1.086 1.00 42.43 H new ATOM 0 HA ALA A 30 7.627 14.181 0.707 1.00 61.30 H new ATOM 0 HB1 ALA A 30 6.861 16.198 1.929 1.00 33.53 H new ATOM 0 HB2 ALA A 30 7.096 16.527 0.196 1.00 33.53 H new ATOM 0 HB3 ALA A 30 5.454 16.309 0.845 1.00 33.53 H new ATOM 512 N GLY A 31 5.842 12.367 1.599 1.00 21.44 N ATOM 513 CA GLY A 31 5.149 11.493 2.541 1.00 1.32 C ATOM 514 C GLY A 31 6.043 10.367 3.050 1.00 62.21 C ATOM 515 O GLY A 31 6.720 9.701 2.265 1.00 75.55 O ATOM 0 H GLY A 31 6.337 11.875 0.855 1.00 21.44 H new ATOM 0 HA2 GLY A 31 4.794 12.082 3.386 1.00 1.32 H new ATOM 0 HA3 GLY A 31 4.270 11.066 2.058 1.00 1.32 H new ATOM 519 N THR A 32 6.042 10.147 4.361 1.00 21.33 N ATOM 520 CA THR A 32 6.923 9.147 4.980 1.00 63.51 C ATOM 521 C THR A 32 6.291 7.746 4.961 1.00 62.45 C ATOM 522 O THR A 32 5.245 7.517 5.568 1.00 31.21 O ATOM 523 CB THR A 32 7.266 9.530 6.443 1.00 33.44 C ATOM 524 OG1 THR A 32 7.757 10.884 6.494 1.00 22.30 O ATOM 525 CG2 THR A 32 8.318 8.591 7.021 1.00 55.32 C ATOM 0 H THR A 32 5.443 10.645 5.020 1.00 21.33 H new ATOM 0 HA THR A 32 7.839 9.128 4.389 1.00 63.51 H new ATOM 0 HB THR A 32 6.356 9.444 7.037 1.00 33.44 H new ATOM 0 HG1 THR A 32 7.970 11.120 7.421 1.00 22.30 H new ATOM 0 HG21 THR A 32 8.540 8.882 8.048 1.00 55.32 H new ATOM 0 HG22 THR A 32 7.940 7.569 7.007 1.00 55.32 H new ATOM 0 HG23 THR A 32 9.227 8.650 6.422 1.00 55.32 H new ATOM 533 N VAL A 33 6.941 6.808 4.271 1.00 11.12 N ATOM 534 CA VAL A 33 6.409 5.449 4.119 1.00 62.52 C ATOM 535 C VAL A 33 6.929 4.503 5.214 1.00 55.24 C ATOM 536 O VAL A 33 8.107 4.133 5.234 1.00 50.25 O ATOM 537 CB VAL A 33 6.765 4.862 2.730 1.00 64.45 C ATOM 538 CG1 VAL A 33 6.175 3.462 2.556 1.00 63.51 C ATOM 539 CG2 VAL A 33 6.292 5.794 1.617 1.00 42.32 C ATOM 0 H VAL A 33 7.837 6.962 3.808 1.00 11.12 H new ATOM 0 HA VAL A 33 5.326 5.528 4.213 1.00 62.52 H new ATOM 0 HB VAL A 33 7.850 4.776 2.667 1.00 64.45 H new ATOM 0 HG11 VAL A 33 6.441 3.075 1.572 1.00 63.51 H new ATOM 0 HG12 VAL A 33 6.573 2.801 3.326 1.00 63.51 H new ATOM 0 HG13 VAL A 33 5.090 3.511 2.646 1.00 63.51 H new ATOM 0 HG21 VAL A 33 6.551 5.365 0.649 1.00 42.32 H new ATOM 0 HG22 VAL A 33 5.211 5.918 1.681 1.00 42.32 H new ATOM 0 HG23 VAL A 33 6.776 6.765 1.725 1.00 42.32 H new ATOM 549 N THR A 34 6.041 4.112 6.122 1.00 11.53 N ATOM 550 CA THR A 34 6.369 3.140 7.174 1.00 52.32 C ATOM 551 C THR A 34 5.577 1.845 6.962 1.00 60.03 C ATOM 552 O THR A 34 4.507 1.868 6.359 1.00 31.21 O ATOM 553 CB THR A 34 6.047 3.690 8.590 1.00 42.34 C ATOM 554 OG1 THR A 34 4.627 3.794 8.777 1.00 73.13 O ATOM 555 CG2 THR A 34 6.685 5.056 8.811 1.00 10.55 C ATOM 0 H THR A 34 5.080 4.453 6.155 1.00 11.53 H new ATOM 0 HA THR A 34 7.440 2.947 7.109 1.00 52.32 H new ATOM 0 HB THR A 34 6.460 2.989 9.316 1.00 42.34 H new ATOM 0 HG1 THR A 34 4.220 4.191 7.979 1.00 73.13 H new ATOM 0 HG21 THR A 34 6.441 5.414 9.811 1.00 10.55 H new ATOM 0 HG22 THR A 34 7.767 4.973 8.709 1.00 10.55 H new ATOM 0 HG23 THR A 34 6.304 5.760 8.071 1.00 10.55 H new ATOM 563 N TYR A 35 6.096 0.715 7.438 1.00 64.41 N ATOM 564 CA TYR A 35 5.382 -0.564 7.298 1.00 40.55 C ATOM 565 C TYR A 35 5.805 -1.597 8.354 1.00 2.30 C ATOM 566 O TYR A 35 6.944 -1.602 8.828 1.00 31.23 O ATOM 567 CB TYR A 35 5.566 -1.139 5.881 1.00 55.12 C ATOM 568 CG TYR A 35 7.008 -1.372 5.464 1.00 13.22 C ATOM 569 CD1 TYR A 35 7.754 -0.359 4.869 1.00 12.23 C ATOM 570 CD2 TYR A 35 7.619 -2.609 5.654 1.00 70.12 C ATOM 571 CE1 TYR A 35 9.063 -0.571 4.479 1.00 52.41 C ATOM 572 CE2 TYR A 35 8.926 -2.828 5.265 1.00 53.13 C ATOM 573 CZ TYR A 35 9.643 -1.806 4.680 1.00 53.50 C ATOM 574 OH TYR A 35 10.946 -2.020 4.283 1.00 73.40 O ATOM 0 H TYR A 35 6.994 0.652 7.918 1.00 64.41 H new ATOM 0 HA TYR A 35 4.326 -0.352 7.463 1.00 40.55 H new ATOM 0 HB2 TYR A 35 5.028 -2.085 5.816 1.00 55.12 H new ATOM 0 HB3 TYR A 35 5.102 -0.459 5.166 1.00 55.12 H new ATOM 0 HD1 TYR A 35 7.303 0.609 4.709 1.00 12.23 H new ATOM 0 HD2 TYR A 35 7.061 -3.411 6.114 1.00 70.12 H new ATOM 0 HE1 TYR A 35 9.628 0.226 4.019 1.00 52.41 H new ATOM 0 HE2 TYR A 35 9.384 -3.794 5.418 1.00 53.13 H new ATOM 0 HH TYR A 35 11.206 -2.941 4.496 1.00 73.40 H new ATOM 584 N THR A 36 4.863 -2.458 8.726 1.00 31.53 N ATOM 585 CA THR A 36 5.121 -3.562 9.660 1.00 1.25 C ATOM 586 C THR A 36 4.593 -4.888 9.096 1.00 35.22 C ATOM 587 O THR A 36 3.428 -4.987 8.707 1.00 70.03 O ATOM 588 CB THR A 36 4.457 -3.313 11.037 1.00 14.14 C ATOM 589 OG1 THR A 36 3.045 -3.119 10.877 1.00 3.04 O ATOM 590 CG2 THR A 36 5.061 -2.092 11.729 1.00 70.21 C ATOM 0 H THR A 36 3.900 -2.415 8.393 1.00 31.53 H new ATOM 0 HA THR A 36 6.202 -3.617 9.790 1.00 1.25 H new ATOM 0 HB THR A 36 4.639 -4.190 11.658 1.00 14.14 H new ATOM 0 HG1 THR A 36 2.696 -3.773 10.236 1.00 3.04 H new ATOM 0 HG21 THR A 36 4.575 -1.943 12.693 1.00 70.21 H new ATOM 0 HG22 THR A 36 6.128 -2.251 11.882 1.00 70.21 H new ATOM 0 HG23 THR A 36 4.911 -1.210 11.107 1.00 70.21 H new ATOM 598 N LEU A 37 5.455 -5.901 9.037 1.00 32.51 N ATOM 599 CA LEU A 37 5.059 -7.224 8.536 1.00 54.12 C ATOM 600 C LEU A 37 4.726 -8.175 9.699 1.00 45.21 C ATOM 601 O LEU A 37 5.620 -8.748 10.329 1.00 72.31 O ATOM 602 CB LEU A 37 6.174 -7.814 7.654 1.00 52.02 C ATOM 603 CG LEU A 37 5.864 -9.177 7.010 1.00 22.11 C ATOM 604 CD1 LEU A 37 4.625 -9.095 6.120 1.00 44.41 C ATOM 605 CD2 LEU A 37 7.068 -9.679 6.211 1.00 2.15 C ATOM 0 H LEU A 37 6.430 -5.836 9.328 1.00 32.51 H new ATOM 0 HA LEU A 37 4.160 -7.108 7.930 1.00 54.12 H new ATOM 0 HB2 LEU A 37 6.400 -7.101 6.861 1.00 52.02 H new ATOM 0 HB3 LEU A 37 7.075 -7.915 8.259 1.00 52.02 H new ATOM 0 HG LEU A 37 5.657 -9.889 7.809 1.00 22.11 H new ATOM 0 HD11 LEU A 37 4.429 -10.072 5.678 1.00 44.41 H new ATOM 0 HD12 LEU A 37 3.767 -8.789 6.718 1.00 44.41 H new ATOM 0 HD13 LEU A 37 4.794 -8.366 5.328 1.00 44.41 H new ATOM 0 HD21 LEU A 37 6.831 -10.644 5.763 1.00 2.15 H new ATOM 0 HD22 LEU A 37 7.307 -8.963 5.425 1.00 2.15 H new ATOM 0 HD23 LEU A 37 7.925 -9.789 6.875 1.00 2.15 H new ATOM 617 N ASP A 38 3.435 -8.335 9.985 1.00 13.13 N ATOM 618 CA ASP A 38 2.980 -9.171 11.099 1.00 5.11 C ATOM 619 C ASP A 38 2.378 -10.491 10.583 1.00 5.43 C ATOM 620 O ASP A 38 1.275 -10.513 10.034 1.00 54.31 O ATOM 621 CB ASP A 38 1.955 -8.397 11.939 1.00 72.04 C ATOM 622 CG ASP A 38 1.568 -9.128 13.215 1.00 13.01 C ATOM 623 OD1 ASP A 38 2.402 -9.198 14.143 1.00 32.41 O ATOM 624 OD2 ASP A 38 0.435 -9.643 13.299 1.00 11.33 O ATOM 0 H ASP A 38 2.680 -7.895 9.458 1.00 13.13 H new ATOM 0 HA ASP A 38 3.836 -9.420 11.726 1.00 5.11 H new ATOM 0 HB2 ASP A 38 2.365 -7.420 12.195 1.00 72.04 H new ATOM 0 HB3 ASP A 38 1.061 -8.220 11.341 1.00 72.04 H new ATOM 629 N GLY A 39 3.113 -11.589 10.758 1.00 22.44 N ATOM 630 CA GLY A 39 2.679 -12.882 10.228 1.00 63.33 C ATOM 631 C GLY A 39 2.534 -12.867 8.707 1.00 14.11 C ATOM 632 O GLY A 39 3.524 -12.742 7.985 1.00 43.35 O ATOM 0 H GLY A 39 4.002 -11.610 11.257 1.00 22.44 H new ATOM 0 HA2 GLY A 39 3.398 -13.649 10.514 1.00 63.33 H new ATOM 0 HA3 GLY A 39 1.725 -13.155 10.679 1.00 63.33 H new ATOM 636 N ASN A 40 1.304 -12.996 8.217 1.00 72.22 N ATOM 637 CA ASN A 40 1.026 -12.854 6.786 1.00 24.32 C ATOM 638 C ASN A 40 0.119 -11.636 6.540 1.00 44.11 C ATOM 639 O ASN A 40 -1.075 -11.777 6.276 1.00 33.53 O ATOM 640 CB ASN A 40 0.386 -14.131 6.228 1.00 71.13 C ATOM 641 CG ASN A 40 0.276 -14.130 4.710 1.00 30.30 C ATOM 642 OD1 ASN A 40 0.103 -13.095 4.077 1.00 22.21 O ATOM 643 ND2 ASN A 40 0.373 -15.297 4.114 1.00 52.31 N ATOM 0 H ASN A 40 0.483 -13.198 8.787 1.00 72.22 H new ATOM 0 HA ASN A 40 1.969 -12.695 6.263 1.00 24.32 H new ATOM 0 HB2 ASN A 40 0.975 -14.993 6.543 1.00 71.13 H new ATOM 0 HB3 ASN A 40 -0.608 -14.250 6.658 1.00 71.13 H new ATOM 0 HD21 ASN A 40 0.304 -15.358 3.098 1.00 52.31 H new ATOM 0 HD22 ASN A 40 0.517 -16.142 4.667 1.00 52.31 H new ATOM 650 N ASP A 41 0.698 -10.449 6.693 1.00 23.02 N ATOM 651 CA ASP A 41 0.004 -9.182 6.431 1.00 5.22 C ATOM 652 C ASP A 41 0.982 -8.006 6.607 1.00 5.12 C ATOM 653 O ASP A 41 1.601 -7.846 7.662 1.00 63.45 O ATOM 654 CB ASP A 41 -1.210 -9.025 7.365 1.00 13.30 C ATOM 655 CG ASP A 41 -2.089 -7.838 6.998 1.00 22.14 C ATOM 656 OD1 ASP A 41 -2.872 -7.944 6.029 1.00 3.51 O ATOM 657 OD2 ASP A 41 -2.014 -6.804 7.686 1.00 53.02 O ATOM 0 H ASP A 41 1.663 -10.333 7.002 1.00 23.02 H new ATOM 0 HA ASP A 41 -0.361 -9.185 5.404 1.00 5.22 H new ATOM 0 HB2 ASP A 41 -1.807 -9.936 7.333 1.00 13.30 H new ATOM 0 HB3 ASP A 41 -0.860 -8.909 8.391 1.00 13.30 H new ATOM 662 N LEU A 42 1.141 -7.213 5.554 1.00 30.15 N ATOM 663 CA LEU A 42 2.067 -6.077 5.561 1.00 30.21 C ATOM 664 C LEU A 42 1.309 -4.749 5.687 1.00 72.01 C ATOM 665 O LEU A 42 0.748 -4.248 4.711 1.00 5.40 O ATOM 666 CB LEU A 42 2.913 -6.082 4.277 1.00 42.40 C ATOM 667 CG LEU A 42 3.959 -4.958 4.160 1.00 71.44 C ATOM 668 CD1 LEU A 42 4.981 -5.046 5.291 1.00 11.55 C ATOM 669 CD2 LEU A 42 4.650 -5.003 2.796 1.00 40.30 C ATOM 0 H LEU A 42 0.638 -7.334 4.675 1.00 30.15 H new ATOM 0 HA LEU A 42 2.724 -6.176 6.425 1.00 30.21 H new ATOM 0 HB2 LEU A 42 3.428 -7.040 4.207 1.00 42.40 H new ATOM 0 HB3 LEU A 42 2.241 -6.018 3.421 1.00 42.40 H new ATOM 0 HG LEU A 42 3.442 -4.002 4.248 1.00 71.44 H new ATOM 0 HD11 LEU A 42 5.709 -4.242 5.187 1.00 11.55 H new ATOM 0 HD12 LEU A 42 4.471 -4.952 6.250 1.00 11.55 H new ATOM 0 HD13 LEU A 42 5.493 -6.007 5.245 1.00 11.55 H new ATOM 0 HD21 LEU A 42 5.385 -4.201 2.734 1.00 40.30 H new ATOM 0 HD22 LEU A 42 5.150 -5.964 2.673 1.00 40.30 H new ATOM 0 HD23 LEU A 42 3.908 -4.877 2.008 1.00 40.30 H new ATOM 681 N GLU A 43 1.290 -4.190 6.892 1.00 63.14 N ATOM 682 CA GLU A 43 0.599 -2.925 7.150 1.00 5.25 C ATOM 683 C GLU A 43 1.499 -1.725 6.816 1.00 14.12 C ATOM 684 O GLU A 43 2.427 -1.407 7.560 1.00 75.20 O ATOM 685 CB GLU A 43 0.150 -2.866 8.619 1.00 64.21 C ATOM 686 CG GLU A 43 -0.791 -4.002 9.017 1.00 23.30 C ATOM 687 CD GLU A 43 -1.278 -3.897 10.453 1.00 30.01 C ATOM 688 OE1 GLU A 43 -2.066 -2.972 10.754 1.00 53.21 O ATOM 689 OE2 GLU A 43 -0.879 -4.732 11.291 1.00 12.35 O ATOM 0 H GLU A 43 1.746 -4.592 7.711 1.00 63.14 H new ATOM 0 HA GLU A 43 -0.279 -2.874 6.506 1.00 5.25 H new ATOM 0 HB2 GLU A 43 1.031 -2.893 9.261 1.00 64.21 H new ATOM 0 HB3 GLU A 43 -0.347 -1.913 8.800 1.00 64.21 H new ATOM 0 HG2 GLU A 43 -1.651 -4.005 8.347 1.00 23.30 H new ATOM 0 HG3 GLU A 43 -0.279 -4.955 8.882 1.00 23.30 H new ATOM 696 N ILE A 44 1.228 -1.073 5.686 1.00 74.41 N ATOM 697 CA ILE A 44 2.028 0.072 5.234 1.00 64.25 C ATOM 698 C ILE A 44 1.351 1.410 5.573 1.00 63.33 C ATOM 699 O ILE A 44 0.351 1.778 4.963 1.00 41.54 O ATOM 700 CB ILE A 44 2.258 0.013 3.701 1.00 41.15 C ATOM 701 CG1 ILE A 44 2.812 -1.361 3.287 1.00 32.13 C ATOM 702 CG2 ILE A 44 3.199 1.134 3.255 1.00 72.33 C ATOM 703 CD1 ILE A 44 2.938 -1.543 1.789 1.00 63.44 C ATOM 0 H ILE A 44 0.458 -1.317 5.063 1.00 74.41 H new ATOM 0 HA ILE A 44 2.982 0.012 5.758 1.00 64.25 H new ATOM 0 HB ILE A 44 1.298 0.155 3.205 1.00 41.15 H new ATOM 0 HG12 ILE A 44 3.792 -1.500 3.744 1.00 32.13 H new ATOM 0 HG13 ILE A 44 2.161 -2.140 3.685 1.00 32.13 H new ATOM 0 HG21 ILE A 44 3.348 1.076 2.177 1.00 72.33 H new ATOM 0 HG22 ILE A 44 2.761 2.099 3.510 1.00 72.33 H new ATOM 0 HG23 ILE A 44 4.159 1.026 3.760 1.00 72.33 H new ATOM 0 HD11 ILE A 44 3.335 -2.535 1.575 1.00 63.44 H new ATOM 0 HD12 ILE A 44 1.957 -1.437 1.326 1.00 63.44 H new ATOM 0 HD13 ILE A 44 3.613 -0.788 1.386 1.00 63.44 H new ATOM 715 N ARG A 45 1.907 2.147 6.528 1.00 41.23 N ATOM 716 CA ARG A 45 1.371 3.465 6.892 1.00 55.03 C ATOM 717 C ARG A 45 2.163 4.600 6.227 1.00 44.20 C ATOM 718 O ARG A 45 3.297 4.897 6.610 1.00 62.02 O ATOM 719 CB ARG A 45 1.360 3.649 8.421 1.00 41.10 C ATOM 720 CG ARG A 45 1.084 5.090 8.865 1.00 32.21 C ATOM 721 CD ARG A 45 0.628 5.166 10.316 1.00 54.44 C ATOM 722 NE ARG A 45 -0.715 4.615 10.479 1.00 41.40 N ATOM 723 CZ ARG A 45 -1.390 4.609 11.593 1.00 14.33 C ATOM 724 NH1 ARG A 45 -0.868 5.066 12.688 1.00 2.35 N ATOM 725 NH2 ARG A 45 -2.592 4.132 11.604 1.00 53.02 N ATOM 0 H ARG A 45 2.725 1.861 7.065 1.00 41.23 H new ATOM 0 HA ARG A 45 0.345 3.511 6.526 1.00 55.03 H new ATOM 0 HB2 ARG A 45 0.603 2.994 8.852 1.00 41.10 H new ATOM 0 HB3 ARG A 45 2.322 3.332 8.823 1.00 41.10 H new ATOM 0 HG2 ARG A 45 1.987 5.687 8.738 1.00 32.21 H new ATOM 0 HG3 ARG A 45 0.320 5.527 8.222 1.00 32.21 H new ATOM 0 HD2 ARG A 45 1.327 4.619 10.948 1.00 54.44 H new ATOM 0 HD3 ARG A 45 0.641 6.204 10.650 1.00 54.44 H new ATOM 0 HE ARG A 45 -1.158 4.203 9.658 1.00 41.40 H new ATOM 0 HH11 ARG A 45 0.082 5.436 12.684 1.00 2.35 H new ATOM 0 HH12 ARG A 45 -1.408 5.055 13.553 1.00 2.35 H new ATOM 0 HH21 ARG A 45 -3.003 3.765 10.746 1.00 53.02 H new ATOM 0 HH22 ARG A 45 -3.129 4.123 12.471 1.00 53.02 H new ATOM 739 N ILE A 46 1.562 5.221 5.216 1.00 73.34 N ATOM 740 CA ILE A 46 2.156 6.391 4.568 1.00 5.32 C ATOM 741 C ILE A 46 1.657 7.683 5.238 1.00 34.13 C ATOM 742 O ILE A 46 0.474 8.029 5.152 1.00 13.20 O ATOM 743 CB ILE A 46 1.832 6.429 3.053 1.00 11.13 C ATOM 744 CG1 ILE A 46 2.232 5.099 2.386 1.00 53.35 C ATOM 745 CG2 ILE A 46 2.549 7.604 2.383 1.00 21.12 C ATOM 746 CD1 ILE A 46 1.936 5.038 0.902 1.00 73.20 C ATOM 0 H ILE A 46 0.664 4.935 4.826 1.00 73.34 H new ATOM 0 HA ILE A 46 3.237 6.316 4.682 1.00 5.32 H new ATOM 0 HB ILE A 46 0.758 6.567 2.930 1.00 11.13 H new ATOM 0 HG12 ILE A 46 3.298 4.934 2.540 1.00 53.35 H new ATOM 0 HG13 ILE A 46 1.708 4.283 2.884 1.00 53.35 H new ATOM 0 HG21 ILE A 46 2.311 7.617 1.319 1.00 21.12 H new ATOM 0 HG22 ILE A 46 2.221 8.538 2.839 1.00 21.12 H new ATOM 0 HG23 ILE A 46 3.626 7.495 2.513 1.00 21.12 H new ATOM 0 HD11 ILE A 46 2.247 4.070 0.508 1.00 73.20 H new ATOM 0 HD12 ILE A 46 0.866 5.169 0.739 1.00 73.20 H new ATOM 0 HD13 ILE A 46 2.481 5.830 0.389 1.00 73.20 H new ATOM 758 N THR A 47 2.562 8.379 5.918 1.00 3.35 N ATOM 759 CA THR A 47 2.214 9.585 6.679 1.00 40.34 C ATOM 760 C THR A 47 2.400 10.862 5.849 1.00 2.24 C ATOM 761 O THR A 47 3.506 11.160 5.391 1.00 24.00 O ATOM 762 CB THR A 47 3.076 9.695 7.963 1.00 44.01 C ATOM 763 OG1 THR A 47 2.902 8.523 8.772 1.00 43.14 O ATOM 764 CG2 THR A 47 2.710 10.933 8.781 1.00 1.20 C ATOM 0 H THR A 47 3.550 8.130 5.961 1.00 3.35 H new ATOM 0 HA THR A 47 1.161 9.491 6.945 1.00 40.34 H new ATOM 0 HB THR A 47 4.118 9.783 7.655 1.00 44.01 H new ATOM 0 HG1 THR A 47 3.451 8.599 9.580 1.00 43.14 H new ATOM 0 HG21 THR A 47 3.334 10.977 9.673 1.00 1.20 H new ATOM 0 HG22 THR A 47 2.873 11.828 8.180 1.00 1.20 H new ATOM 0 HG23 THR A 47 1.662 10.879 9.074 1.00 1.20 H new ATOM 772 N GLY A 48 1.316 11.617 5.668 1.00 10.31 N ATOM 773 CA GLY A 48 1.387 12.896 4.966 1.00 72.24 C ATOM 774 C GLY A 48 1.098 12.798 3.470 1.00 72.41 C ATOM 775 O GLY A 48 1.973 13.056 2.641 1.00 55.00 O ATOM 0 H GLY A 48 0.384 11.366 5.996 1.00 10.31 H new ATOM 0 HA2 GLY A 48 0.676 13.588 5.419 1.00 72.24 H new ATOM 0 HA3 GLY A 48 2.380 13.322 5.107 1.00 72.24 H new ATOM 779 N VAL A 49 -0.132 12.430 3.118 1.00 21.23 N ATOM 780 CA VAL A 49 -0.542 12.348 1.709 1.00 15.53 C ATOM 781 C VAL A 49 -1.752 13.252 1.409 1.00 11.33 C ATOM 782 O VAL A 49 -2.701 13.313 2.189 1.00 60.23 O ATOM 783 CB VAL A 49 -0.877 10.890 1.292 1.00 32.30 C ATOM 784 CG1 VAL A 49 0.386 10.036 1.254 1.00 74.54 C ATOM 785 CG2 VAL A 49 -1.914 10.274 2.233 1.00 13.52 C ATOM 0 H VAL A 49 -0.864 12.183 3.784 1.00 21.23 H new ATOM 0 HA VAL A 49 0.310 12.697 1.125 1.00 15.53 H new ATOM 0 HB VAL A 49 -1.304 10.918 0.290 1.00 32.30 H new ATOM 0 HG11 VAL A 49 0.129 9.019 0.960 1.00 74.54 H new ATOM 0 HG12 VAL A 49 1.088 10.456 0.533 1.00 74.54 H new ATOM 0 HG13 VAL A 49 0.846 10.022 2.242 1.00 74.54 H new ATOM 0 HG21 VAL A 49 -2.130 9.253 1.918 1.00 13.52 H new ATOM 0 HG22 VAL A 49 -1.522 10.265 3.250 1.00 13.52 H new ATOM 0 HG23 VAL A 49 -2.830 10.865 2.202 1.00 13.52 H new ATOM 795 N PRO A 50 -1.726 13.984 0.274 1.00 21.25 N ATOM 796 CA PRO A 50 -2.862 14.811 -0.162 1.00 63.22 C ATOM 797 C PRO A 50 -3.979 13.977 -0.822 1.00 4.02 C ATOM 798 O PRO A 50 -3.719 12.939 -1.435 1.00 51.33 O ATOM 799 CB PRO A 50 -2.219 15.769 -1.171 1.00 41.00 C ATOM 800 CG PRO A 50 -1.079 14.997 -1.750 1.00 12.10 C ATOM 801 CD PRO A 50 -0.582 14.081 -0.656 1.00 73.14 C ATOM 0 HA PRO A 50 -3.354 15.314 0.670 1.00 63.22 H new ATOM 0 HB2 PRO A 50 -2.929 16.067 -1.943 1.00 41.00 H new ATOM 0 HB3 PRO A 50 -1.874 16.682 -0.686 1.00 41.00 H new ATOM 0 HG2 PRO A 50 -1.400 14.424 -2.620 1.00 12.10 H new ATOM 0 HG3 PRO A 50 -0.287 15.667 -2.085 1.00 12.10 H new ATOM 0 HD2 PRO A 50 -0.303 13.104 -1.050 1.00 73.14 H new ATOM 0 HD3 PRO A 50 0.300 14.490 -0.163 1.00 73.14 H new ATOM 809 N GLU A 51 -5.223 14.446 -0.709 1.00 3.43 N ATOM 810 CA GLU A 51 -6.391 13.693 -1.195 1.00 40.15 C ATOM 811 C GLU A 51 -6.333 13.410 -2.708 1.00 53.45 C ATOM 812 O GLU A 51 -6.845 12.391 -3.173 1.00 44.05 O ATOM 813 CB GLU A 51 -7.690 14.429 -0.837 1.00 35.23 C ATOM 814 CG GLU A 51 -7.789 15.842 -1.400 1.00 64.23 C ATOM 815 CD GLU A 51 -9.062 16.554 -0.968 1.00 31.30 C ATOM 816 OE1 GLU A 51 -10.098 16.413 -1.657 1.00 33.05 O ATOM 817 OE2 GLU A 51 -9.033 17.263 0.061 1.00 13.41 O ATOM 0 H GLU A 51 -5.452 15.345 -0.285 1.00 3.43 H new ATOM 0 HA GLU A 51 -6.373 12.726 -0.693 1.00 40.15 H new ATOM 0 HB2 GLU A 51 -8.536 13.846 -1.201 1.00 35.23 H new ATOM 0 HB3 GLU A 51 -7.779 14.476 0.248 1.00 35.23 H new ATOM 0 HG2 GLU A 51 -6.925 16.421 -1.074 1.00 64.23 H new ATOM 0 HG3 GLU A 51 -7.752 15.799 -2.489 1.00 64.23 H new ATOM 824 N GLN A 52 -5.705 14.304 -3.474 1.00 71.23 N ATOM 825 CA GLN A 52 -5.552 14.094 -4.923 1.00 72.51 C ATOM 826 C GLN A 52 -4.690 12.851 -5.221 1.00 35.43 C ATOM 827 O GLN A 52 -5.050 12.014 -6.052 1.00 74.42 O ATOM 828 CB GLN A 52 -4.946 15.340 -5.595 1.00 64.43 C ATOM 829 CG GLN A 52 -3.563 15.728 -5.074 1.00 5.31 C ATOM 830 CD GLN A 52 -2.951 16.908 -5.817 1.00 40.31 C ATOM 831 OE1 GLN A 52 -3.208 17.121 -6.997 1.00 71.04 O ATOM 832 NE2 GLN A 52 -2.140 17.689 -5.130 1.00 44.23 N ATOM 0 H GLN A 52 -5.297 15.171 -3.125 1.00 71.23 H new ATOM 0 HA GLN A 52 -6.545 13.924 -5.338 1.00 72.51 H new ATOM 0 HB2 GLN A 52 -4.880 15.163 -6.669 1.00 64.43 H new ATOM 0 HB3 GLN A 52 -5.624 16.181 -5.452 1.00 64.43 H new ATOM 0 HG2 GLN A 52 -3.637 15.973 -4.014 1.00 5.31 H new ATOM 0 HG3 GLN A 52 -2.897 14.869 -5.157 1.00 5.31 H new ATOM 0 HE21 GLN A 52 -1.946 17.486 -4.150 1.00 44.23 H new ATOM 0 HE22 GLN A 52 -1.707 18.496 -5.579 1.00 44.23 H new ATOM 841 N VAL A 53 -3.568 12.722 -4.514 1.00 51.43 N ATOM 842 CA VAL A 53 -2.655 11.588 -4.704 1.00 2.42 C ATOM 843 C VAL A 53 -3.201 10.318 -4.029 1.00 53.14 C ATOM 844 O VAL A 53 -2.917 9.200 -4.462 1.00 63.54 O ATOM 845 CB VAL A 53 -1.242 11.911 -4.151 1.00 55.32 C ATOM 846 CG1 VAL A 53 -0.286 10.737 -4.348 1.00 12.41 C ATOM 847 CG2 VAL A 53 -0.684 13.174 -4.805 1.00 34.12 C ATOM 0 H VAL A 53 -3.266 13.388 -3.803 1.00 51.43 H new ATOM 0 HA VAL A 53 -2.579 11.408 -5.776 1.00 2.42 H new ATOM 0 HB VAL A 53 -1.336 12.087 -3.080 1.00 55.32 H new ATOM 0 HG11 VAL A 53 0.695 10.996 -3.950 1.00 12.41 H new ATOM 0 HG12 VAL A 53 -0.671 9.862 -3.824 1.00 12.41 H new ATOM 0 HG13 VAL A 53 -0.199 10.513 -5.411 1.00 12.41 H new ATOM 0 HG21 VAL A 53 0.308 13.384 -4.404 1.00 34.12 H new ATOM 0 HG22 VAL A 53 -0.616 13.026 -5.883 1.00 34.12 H new ATOM 0 HG23 VAL A 53 -1.345 14.015 -4.596 1.00 34.12 H new ATOM 857 N ARG A 54 -3.998 10.504 -2.971 1.00 11.33 N ATOM 858 CA ARG A 54 -4.667 9.389 -2.284 1.00 45.33 C ATOM 859 C ARG A 54 -5.378 8.464 -3.287 1.00 51.31 C ATOM 860 O ARG A 54 -5.343 7.239 -3.160 1.00 71.43 O ATOM 861 CB ARG A 54 -5.684 9.936 -1.270 1.00 42.32 C ATOM 862 CG ARG A 54 -6.435 8.859 -0.484 1.00 1.32 C ATOM 863 CD ARG A 54 -7.505 9.461 0.426 1.00 65.22 C ATOM 864 NE ARG A 54 -8.559 10.144 -0.331 1.00 34.24 N ATOM 865 CZ ARG A 54 -9.170 11.231 0.063 1.00 2.41 C ATOM 866 NH1 ARG A 54 -8.859 11.804 1.182 1.00 11.12 N ATOM 867 NH2 ARG A 54 -10.096 11.755 -0.673 1.00 13.32 N ATOM 0 H ARG A 54 -4.197 11.420 -2.569 1.00 11.33 H new ATOM 0 HA ARG A 54 -3.907 8.807 -1.763 1.00 45.33 H new ATOM 0 HB2 ARG A 54 -5.164 10.586 -0.566 1.00 42.32 H new ATOM 0 HB3 ARG A 54 -6.409 10.555 -1.799 1.00 42.32 H new ATOM 0 HG2 ARG A 54 -6.901 8.160 -1.179 1.00 1.32 H new ATOM 0 HG3 ARG A 54 -5.727 8.287 0.116 1.00 1.32 H new ATOM 0 HD2 ARG A 54 -7.949 8.672 1.032 1.00 65.22 H new ATOM 0 HD3 ARG A 54 -7.039 10.167 1.114 1.00 65.22 H new ATOM 0 HE ARG A 54 -8.835 9.743 -1.227 1.00 34.24 H new ATOM 0 HH11 ARG A 54 -8.127 11.408 1.772 1.00 11.12 H new ATOM 0 HH12 ARG A 54 -9.346 12.651 1.474 1.00 11.12 H new ATOM 0 HH21 ARG A 54 -10.349 11.320 -1.560 1.00 13.32 H new ATOM 0 HH22 ARG A 54 -10.573 12.603 -0.366 1.00 13.32 H new ATOM 881 N LYS A 55 -6.020 9.072 -4.282 1.00 31.44 N ATOM 882 CA LYS A 55 -6.706 8.333 -5.347 1.00 60.35 C ATOM 883 C LYS A 55 -5.724 7.450 -6.137 1.00 71.42 C ATOM 884 O LYS A 55 -5.939 6.248 -6.303 1.00 41.42 O ATOM 885 CB LYS A 55 -7.386 9.328 -6.299 1.00 43.34 C ATOM 886 CG LYS A 55 -8.266 10.357 -5.590 1.00 30.13 C ATOM 887 CD LYS A 55 -8.770 11.426 -6.554 1.00 40.14 C ATOM 888 CE LYS A 55 -9.472 12.564 -5.821 1.00 12.23 C ATOM 889 NZ LYS A 55 -10.676 12.099 -5.085 1.00 42.42 N ATOM 0 H LYS A 55 -6.081 10.086 -4.376 1.00 31.44 H new ATOM 0 HA LYS A 55 -7.452 7.683 -4.889 1.00 60.35 H new ATOM 0 HB2 LYS A 55 -6.620 9.851 -6.871 1.00 43.34 H new ATOM 0 HB3 LYS A 55 -7.995 8.774 -7.014 1.00 43.34 H new ATOM 0 HG2 LYS A 55 -9.115 9.853 -5.128 1.00 30.13 H new ATOM 0 HG3 LYS A 55 -7.700 10.829 -4.787 1.00 30.13 H new ATOM 0 HD2 LYS A 55 -7.932 11.824 -7.126 1.00 40.14 H new ATOM 0 HD3 LYS A 55 -9.458 10.975 -7.269 1.00 40.14 H new ATOM 0 HE2 LYS A 55 -8.776 13.027 -5.121 1.00 12.23 H new ATOM 0 HE3 LYS A 55 -9.761 13.332 -6.538 1.00 12.23 H new ATOM 0 HZ1 LYS A 55 -11.140 12.911 -4.630 1.00 42.42 H new ATOM 0 HZ2 LYS A 55 -11.338 11.650 -5.750 1.00 42.42 H new ATOM 0 HZ3 LYS A 55 -10.394 11.410 -4.359 1.00 42.42 H new ATOM 903 N GLU A 56 -4.637 8.064 -6.603 1.00 42.21 N ATOM 904 CA GLU A 56 -3.637 7.383 -7.434 1.00 42.03 C ATOM 905 C GLU A 56 -2.964 6.215 -6.690 1.00 23.13 C ATOM 906 O GLU A 56 -2.797 5.124 -7.247 1.00 2.13 O ATOM 907 CB GLU A 56 -2.583 8.400 -7.902 1.00 52.33 C ATOM 908 CG GLU A 56 -3.162 9.529 -8.758 1.00 31.24 C ATOM 909 CD GLU A 56 -2.138 10.605 -9.097 1.00 75.33 C ATOM 910 OE1 GLU A 56 -1.246 10.346 -9.939 1.00 60.04 O ATOM 911 OE2 GLU A 56 -2.217 11.714 -8.528 1.00 65.20 O ATOM 0 H GLU A 56 -4.423 9.044 -6.418 1.00 42.21 H new ATOM 0 HA GLU A 56 -4.148 6.958 -8.298 1.00 42.03 H new ATOM 0 HB2 GLU A 56 -2.093 8.831 -7.029 1.00 52.33 H new ATOM 0 HB3 GLU A 56 -1.815 7.879 -8.473 1.00 52.33 H new ATOM 0 HG2 GLU A 56 -3.559 9.109 -9.682 1.00 31.24 H new ATOM 0 HG3 GLU A 56 -3.999 9.985 -8.230 1.00 31.24 H new ATOM 918 N LEU A 57 -2.584 6.442 -5.435 1.00 70.34 N ATOM 919 CA LEU A 57 -1.947 5.398 -4.619 1.00 20.22 C ATOM 920 C LEU A 57 -2.927 4.259 -4.301 1.00 20.22 C ATOM 921 O LEU A 57 -2.588 3.081 -4.430 1.00 13.12 O ATOM 922 CB LEU A 57 -1.395 5.994 -3.312 1.00 64.33 C ATOM 923 CG LEU A 57 -0.300 7.060 -3.482 1.00 71.41 C ATOM 924 CD1 LEU A 57 0.150 7.589 -2.123 1.00 63.45 C ATOM 925 CD2 LEU A 57 0.887 6.492 -4.258 1.00 42.42 C ATOM 0 H LEU A 57 -2.703 7.335 -4.957 1.00 70.34 H new ATOM 0 HA LEU A 57 -1.122 4.986 -5.200 1.00 20.22 H new ATOM 0 HB2 LEU A 57 -2.223 6.434 -2.755 1.00 64.33 H new ATOM 0 HB3 LEU A 57 -0.997 5.183 -2.703 1.00 64.33 H new ATOM 0 HG LEU A 57 -0.716 7.891 -4.052 1.00 71.41 H new ATOM 0 HD11 LEU A 57 0.925 8.342 -2.264 1.00 63.45 H new ATOM 0 HD12 LEU A 57 -0.700 8.035 -1.607 1.00 63.45 H new ATOM 0 HD13 LEU A 57 0.547 6.768 -1.526 1.00 63.45 H new ATOM 0 HD21 LEU A 57 1.651 7.261 -4.368 1.00 42.42 H new ATOM 0 HD22 LEU A 57 1.303 5.642 -3.716 1.00 42.42 H new ATOM 0 HD23 LEU A 57 0.555 6.167 -5.244 1.00 42.42 H new ATOM 937 N ALA A 58 -4.146 4.616 -3.897 1.00 45.14 N ATOM 938 CA ALA A 58 -5.171 3.625 -3.552 1.00 52.34 C ATOM 939 C ALA A 58 -5.538 2.754 -4.757 1.00 73.44 C ATOM 940 O ALA A 58 -5.727 1.544 -4.632 1.00 32.03 O ATOM 941 CB ALA A 58 -6.420 4.313 -3.006 1.00 14.25 C ATOM 0 H ALA A 58 -4.450 5.585 -3.800 1.00 45.14 H new ATOM 0 HA ALA A 58 -4.754 2.978 -2.780 1.00 52.34 H new ATOM 0 HB1 ALA A 58 -7.169 3.562 -2.756 1.00 14.25 H new ATOM 0 HB2 ALA A 58 -6.162 4.880 -2.112 1.00 14.25 H new ATOM 0 HB3 ALA A 58 -6.822 4.989 -3.760 1.00 14.25 H new ATOM 947 N LYS A 59 -5.625 3.379 -5.927 1.00 44.02 N ATOM 948 CA LYS A 59 -6.000 2.672 -7.149 1.00 65.23 C ATOM 949 C LYS A 59 -4.878 1.751 -7.650 1.00 61.15 C ATOM 950 O LYS A 59 -5.146 0.671 -8.184 1.00 61.20 O ATOM 951 CB LYS A 59 -6.412 3.670 -8.236 1.00 32.32 C ATOM 952 CG LYS A 59 -6.979 3.008 -9.490 1.00 13.01 C ATOM 953 CD LYS A 59 -7.958 3.924 -10.220 1.00 51.33 C ATOM 954 CE LYS A 59 -9.134 4.314 -9.327 1.00 3.12 C ATOM 955 NZ LYS A 59 -9.808 3.122 -8.740 1.00 41.43 N ATOM 0 H LYS A 59 -5.441 4.374 -6.056 1.00 44.02 H new ATOM 0 HA LYS A 59 -6.853 2.036 -6.913 1.00 65.23 H new ATOM 0 HB2 LYS A 59 -7.157 4.353 -7.827 1.00 32.32 H new ATOM 0 HB3 LYS A 59 -5.546 4.271 -8.513 1.00 32.32 H new ATOM 0 HG2 LYS A 59 -6.163 2.740 -10.161 1.00 13.01 H new ATOM 0 HG3 LYS A 59 -7.483 2.081 -9.216 1.00 13.01 H new ATOM 0 HD2 LYS A 59 -7.438 4.823 -10.552 1.00 51.33 H new ATOM 0 HD3 LYS A 59 -8.329 3.423 -11.114 1.00 51.33 H new ATOM 0 HE2 LYS A 59 -8.781 4.962 -8.525 1.00 3.12 H new ATOM 0 HE3 LYS A 59 -9.855 4.889 -9.908 1.00 3.12 H new ATOM 0 HZ1 LYS A 59 -10.695 3.415 -8.282 1.00 41.43 H new ATOM 0 HZ2 LYS A 59 -10.017 2.436 -9.493 1.00 41.43 H new ATOM 0 HZ3 LYS A 59 -9.183 2.682 -8.034 1.00 41.43 H new ATOM 969 N GLU A 60 -3.621 2.160 -7.474 1.00 41.04 N ATOM 970 CA GLU A 60 -2.502 1.289 -7.845 1.00 33.40 C ATOM 971 C GLU A 60 -2.388 0.113 -6.868 1.00 53.34 C ATOM 972 O GLU A 60 -1.986 -0.983 -7.251 1.00 14.14 O ATOM 973 CB GLU A 60 -1.172 2.051 -7.939 1.00 65.21 C ATOM 974 CG GLU A 60 -0.027 1.178 -8.464 1.00 10.23 C ATOM 975 CD GLU A 60 1.131 1.975 -9.042 1.00 1.11 C ATOM 976 OE1 GLU A 60 0.873 2.925 -9.807 1.00 31.20 O ATOM 977 OE2 GLU A 60 2.303 1.629 -8.774 1.00 53.01 O ATOM 0 H GLU A 60 -3.354 3.065 -7.087 1.00 41.04 H new ATOM 0 HA GLU A 60 -2.715 0.901 -8.841 1.00 33.40 H new ATOM 0 HB2 GLU A 60 -1.297 2.913 -8.595 1.00 65.21 H new ATOM 0 HB3 GLU A 60 -0.908 2.436 -6.954 1.00 65.21 H new ATOM 0 HG2 GLU A 60 0.343 0.552 -7.652 1.00 10.23 H new ATOM 0 HG3 GLU A 60 -0.415 0.508 -9.231 1.00 10.23 H new ATOM 984 N ALA A 61 -2.753 0.343 -5.605 1.00 10.32 N ATOM 985 CA ALA A 61 -2.858 -0.745 -4.624 1.00 72.30 C ATOM 986 C ALA A 61 -3.820 -1.835 -5.129 1.00 41.42 C ATOM 987 O ALA A 61 -3.529 -3.032 -5.036 1.00 33.51 O ATOM 988 CB ALA A 61 -3.323 -0.201 -3.275 1.00 30.00 C ATOM 0 H ALA A 61 -2.980 1.267 -5.237 1.00 10.32 H new ATOM 0 HA ALA A 61 -1.872 -1.192 -4.495 1.00 72.30 H new ATOM 0 HB1 ALA A 61 -3.396 -1.019 -2.558 1.00 30.00 H new ATOM 0 HB2 ALA A 61 -2.606 0.536 -2.913 1.00 30.00 H new ATOM 0 HB3 ALA A 61 -4.300 0.269 -3.389 1.00 30.00 H new ATOM 994 N GLU A 62 -4.962 -1.405 -5.675 1.00 4.12 N ATOM 995 CA GLU A 62 -5.903 -2.320 -6.338 1.00 33.23 C ATOM 996 C GLU A 62 -5.207 -3.062 -7.494 1.00 1.24 C ATOM 997 O GLU A 62 -5.278 -4.289 -7.604 1.00 32.32 O ATOM 998 CB GLU A 62 -7.110 -1.545 -6.899 1.00 15.01 C ATOM 999 CG GLU A 62 -7.876 -0.718 -5.870 1.00 52.35 C ATOM 1000 CD GLU A 62 -9.089 -0.018 -6.475 1.00 34.04 C ATOM 1001 OE1 GLU A 62 -10.174 -0.635 -6.515 1.00 13.23 O ATOM 1002 OE2 GLU A 62 -8.958 1.140 -6.938 1.00 44.54 O ATOM 0 H GLU A 62 -5.259 -0.429 -5.672 1.00 4.12 H new ATOM 0 HA GLU A 62 -6.248 -3.040 -5.595 1.00 33.23 H new ATOM 0 HB2 GLU A 62 -6.761 -0.882 -7.690 1.00 15.01 H new ATOM 0 HB3 GLU A 62 -7.798 -2.255 -7.358 1.00 15.01 H new ATOM 0 HG2 GLU A 62 -8.202 -1.366 -5.056 1.00 52.35 H new ATOM 0 HG3 GLU A 62 -7.209 0.027 -5.436 1.00 52.35 H new ATOM 1009 N ARG A 63 -4.536 -2.288 -8.347 1.00 4.41 N ATOM 1010 CA ARG A 63 -3.795 -2.814 -9.505 1.00 2.54 C ATOM 1011 C ARG A 63 -2.797 -3.914 -9.085 1.00 23.41 C ATOM 1012 O ARG A 63 -2.758 -4.995 -9.676 1.00 2.13 O ATOM 1013 CB ARG A 63 -3.056 -1.648 -10.186 1.00 12.44 C ATOM 1014 CG ARG A 63 -2.425 -1.973 -11.537 1.00 32.20 C ATOM 1015 CD ARG A 63 -3.471 -2.341 -12.587 1.00 5.32 C ATOM 1016 NE ARG A 63 -2.938 -2.227 -13.946 1.00 71.53 N ATOM 1017 CZ ARG A 63 -3.168 -3.078 -14.906 1.00 14.02 C ATOM 1018 NH1 ARG A 63 -3.819 -4.172 -14.674 1.00 72.33 N ATOM 1019 NH2 ARG A 63 -2.706 -2.846 -16.094 1.00 35.20 N ATOM 0 H ARG A 63 -4.488 -1.273 -8.258 1.00 4.41 H new ATOM 0 HA ARG A 63 -4.499 -3.269 -10.202 1.00 2.54 H new ATOM 0 HB2 ARG A 63 -3.757 -0.825 -10.320 1.00 12.44 H new ATOM 0 HB3 ARG A 63 -2.274 -1.294 -9.514 1.00 12.44 H new ATOM 0 HG2 ARG A 63 -1.850 -1.114 -11.884 1.00 32.20 H new ATOM 0 HG3 ARG A 63 -1.724 -2.799 -11.420 1.00 32.20 H new ATOM 0 HD2 ARG A 63 -3.815 -3.361 -12.416 1.00 5.32 H new ATOM 0 HD3 ARG A 63 -4.338 -1.689 -12.480 1.00 5.32 H new ATOM 0 HE ARG A 63 -2.345 -1.425 -14.156 1.00 71.53 H new ATOM 0 HH11 ARG A 63 -4.157 -4.375 -13.733 1.00 72.33 H new ATOM 0 HH12 ARG A 63 -3.994 -4.832 -15.432 1.00 72.33 H new ATOM 0 HH21 ARG A 63 -2.165 -2.000 -16.275 1.00 35.20 H new ATOM 0 HH22 ARG A 63 -2.883 -3.509 -16.849 1.00 35.20 H new ATOM 1033 N LEU A 64 -2.004 -3.631 -8.050 1.00 4.31 N ATOM 1034 CA LEU A 64 -1.054 -4.602 -7.495 1.00 2.33 C ATOM 1035 C LEU A 64 -1.774 -5.882 -7.043 1.00 3.42 C ATOM 1036 O LEU A 64 -1.395 -6.993 -7.417 1.00 11.24 O ATOM 1037 CB LEU A 64 -0.305 -3.976 -6.309 1.00 20.54 C ATOM 1038 CG LEU A 64 0.584 -2.769 -6.656 1.00 44.04 C ATOM 1039 CD1 LEU A 64 1.078 -2.073 -5.390 1.00 4.52 C ATOM 1040 CD2 LEU A 64 1.763 -3.204 -7.524 1.00 11.24 C ATOM 0 H LEU A 64 -2.000 -2.729 -7.574 1.00 4.31 H new ATOM 0 HA LEU A 64 -0.342 -4.870 -8.275 1.00 2.33 H new ATOM 0 HB2 LEU A 64 -1.036 -3.665 -5.562 1.00 20.54 H new ATOM 0 HB3 LEU A 64 0.316 -4.743 -5.847 1.00 20.54 H new ATOM 0 HG LEU A 64 -0.017 -2.057 -7.221 1.00 44.04 H new ATOM 0 HD11 LEU A 64 1.704 -1.223 -5.663 1.00 4.52 H new ATOM 0 HD12 LEU A 64 0.224 -1.723 -4.810 1.00 4.52 H new ATOM 0 HD13 LEU A 64 1.659 -2.775 -4.792 1.00 4.52 H new ATOM 0 HD21 LEU A 64 2.381 -2.337 -7.760 1.00 11.24 H new ATOM 0 HD22 LEU A 64 2.360 -3.939 -6.985 1.00 11.24 H new ATOM 0 HD23 LEU A 64 1.391 -3.646 -8.448 1.00 11.24 H new ATOM 1052 N ALA A 65 -2.830 -5.711 -6.250 1.00 22.02 N ATOM 1053 CA ALA A 65 -3.629 -6.840 -5.758 1.00 42.20 C ATOM 1054 C ALA A 65 -4.243 -7.651 -6.909 1.00 22.03 C ATOM 1055 O ALA A 65 -4.527 -8.838 -6.759 1.00 30.40 O ATOM 1056 CB ALA A 65 -4.723 -6.344 -4.822 1.00 44.44 C ATOM 0 H ALA A 65 -3.156 -4.799 -5.931 1.00 22.02 H new ATOM 0 HA ALA A 65 -2.959 -7.502 -5.209 1.00 42.20 H new ATOM 0 HB1 ALA A 65 -5.308 -7.191 -4.465 1.00 44.44 H new ATOM 0 HB2 ALA A 65 -4.271 -5.831 -3.973 1.00 44.44 H new ATOM 0 HB3 ALA A 65 -5.375 -5.654 -5.358 1.00 44.44 H new ATOM 1062 N LYS A 66 -4.459 -7.006 -8.052 1.00 64.34 N ATOM 1063 CA LYS A 66 -4.981 -7.689 -9.240 1.00 60.33 C ATOM 1064 C LYS A 66 -3.904 -8.567 -9.904 1.00 44.21 C ATOM 1065 O LYS A 66 -4.069 -9.782 -10.011 1.00 54.15 O ATOM 1066 CB LYS A 66 -5.539 -6.668 -10.245 1.00 34.21 C ATOM 1067 CG LYS A 66 -6.826 -5.985 -9.784 1.00 55.50 C ATOM 1068 CD LYS A 66 -7.983 -6.979 -9.666 1.00 74.04 C ATOM 1069 CE LYS A 66 -9.284 -6.296 -9.252 1.00 45.11 C ATOM 1070 NZ LYS A 66 -9.233 -5.788 -7.855 1.00 31.51 N ATOM 0 H LYS A 66 -4.282 -6.010 -8.184 1.00 64.34 H new ATOM 0 HA LYS A 66 -5.791 -8.344 -8.919 1.00 60.33 H new ATOM 0 HB2 LYS A 66 -4.782 -5.906 -10.432 1.00 34.21 H new ATOM 0 HB3 LYS A 66 -5.726 -7.171 -11.193 1.00 34.21 H new ATOM 0 HG2 LYS A 66 -6.658 -5.506 -8.820 1.00 55.50 H new ATOM 0 HG3 LYS A 66 -7.093 -5.198 -10.489 1.00 55.50 H new ATOM 0 HD2 LYS A 66 -8.127 -7.483 -10.622 1.00 74.04 H new ATOM 0 HD3 LYS A 66 -7.728 -7.747 -8.935 1.00 74.04 H new ATOM 0 HE2 LYS A 66 -9.489 -5.468 -9.930 1.00 45.11 H new ATOM 0 HE3 LYS A 66 -10.110 -7.001 -9.350 1.00 45.11 H new ATOM 0 HZ1 LYS A 66 -10.159 -5.393 -7.595 1.00 31.51 H new ATOM 0 HZ2 LYS A 66 -8.996 -6.569 -7.210 1.00 31.51 H new ATOM 0 HZ3 LYS A 66 -8.508 -5.046 -7.782 1.00 31.51 H new ATOM 1084 N GLU A 67 -2.796 -7.958 -10.332 1.00 12.42 N ATOM 1085 CA GLU A 67 -1.700 -8.703 -10.979 1.00 51.44 C ATOM 1086 C GLU A 67 -1.142 -9.823 -10.078 1.00 65.43 C ATOM 1087 O GLU A 67 -0.749 -10.888 -10.567 1.00 11.44 O ATOM 1088 CB GLU A 67 -0.564 -7.754 -11.404 1.00 35.22 C ATOM 1089 CG GLU A 67 -0.750 -7.128 -12.789 1.00 41.11 C ATOM 1090 CD GLU A 67 -1.987 -6.255 -12.899 1.00 72.31 C ATOM 1091 OE1 GLU A 67 -1.903 -5.064 -12.552 1.00 21.22 O ATOM 1092 OE2 GLU A 67 -3.042 -6.756 -13.348 1.00 15.43 O ATOM 0 H GLU A 67 -2.629 -6.956 -10.245 1.00 12.42 H new ATOM 0 HA GLU A 67 -2.123 -9.172 -11.867 1.00 51.44 H new ATOM 0 HB2 GLU A 67 -0.478 -6.956 -10.666 1.00 35.22 H new ATOM 0 HB3 GLU A 67 0.377 -8.304 -11.390 1.00 35.22 H new ATOM 0 HG2 GLU A 67 0.129 -6.530 -13.030 1.00 41.11 H new ATOM 0 HG3 GLU A 67 -0.809 -7.922 -13.533 1.00 41.11 H new ATOM 1099 N PHE A 68 -1.098 -9.585 -8.770 1.00 3.33 N ATOM 1100 CA PHE A 68 -0.623 -10.602 -7.823 1.00 40.02 C ATOM 1101 C PHE A 68 -1.782 -11.451 -7.266 1.00 42.13 C ATOM 1102 O PHE A 68 -1.555 -12.423 -6.545 1.00 4.35 O ATOM 1103 CB PHE A 68 0.149 -9.943 -6.672 1.00 74.25 C ATOM 1104 CG PHE A 68 1.379 -9.196 -7.122 1.00 51.15 C ATOM 1105 CD1 PHE A 68 2.465 -9.879 -7.653 1.00 22.05 C ATOM 1106 CD2 PHE A 68 1.451 -7.815 -7.016 1.00 44.23 C ATOM 1107 CE1 PHE A 68 3.593 -9.198 -8.068 1.00 24.23 C ATOM 1108 CE2 PHE A 68 2.577 -7.130 -7.429 1.00 24.13 C ATOM 1109 CZ PHE A 68 3.648 -7.823 -7.957 1.00 12.24 C ATOM 0 H PHE A 68 -1.382 -8.705 -8.339 1.00 3.33 H new ATOM 0 HA PHE A 68 0.045 -11.269 -8.368 1.00 40.02 H new ATOM 0 HB2 PHE A 68 -0.514 -9.254 -6.148 1.00 74.25 H new ATOM 0 HB3 PHE A 68 0.442 -10.710 -5.955 1.00 74.25 H new ATOM 0 HD1 PHE A 68 2.427 -10.955 -7.743 1.00 22.05 H new ATOM 0 HD2 PHE A 68 0.615 -7.268 -6.605 1.00 44.23 H new ATOM 0 HE1 PHE A 68 4.431 -9.741 -8.479 1.00 24.23 H new ATOM 0 HE2 PHE A 68 2.620 -6.055 -7.339 1.00 24.13 H new ATOM 0 HZ PHE A 68 4.529 -7.290 -8.283 1.00 12.24 H new ATOM 1119 N ASN A 69 -3.022 -11.064 -7.595 1.00 14.00 N ATOM 1120 CA ASN A 69 -4.232 -11.780 -7.144 1.00 45.02 C ATOM 1121 C ASN A 69 -4.312 -11.859 -5.602 1.00 14.14 C ATOM 1122 O ASN A 69 -5.103 -12.618 -5.038 1.00 15.35 O ATOM 1123 CB ASN A 69 -4.281 -13.179 -7.783 1.00 0.14 C ATOM 1124 CG ASN A 69 -5.616 -13.879 -7.582 1.00 71.55 C ATOM 1125 OD1 ASN A 69 -6.564 -13.660 -8.328 1.00 35.42 O ATOM 1126 ND2 ASN A 69 -5.697 -14.738 -6.589 1.00 62.03 N ATOM 0 H ASN A 69 -3.218 -10.250 -8.178 1.00 14.00 H new ATOM 0 HA ASN A 69 -5.105 -11.216 -7.472 1.00 45.02 H new ATOM 0 HB2 ASN A 69 -4.080 -13.092 -8.851 1.00 0.14 H new ATOM 0 HB3 ASN A 69 -3.487 -13.794 -7.359 1.00 0.14 H new ATOM 0 HD21 ASN A 69 -6.567 -15.244 -6.422 1.00 62.03 H new ATOM 0 HD22 ASN A 69 -4.890 -14.898 -5.986 1.00 62.03 H new ATOM 1133 N ILE A 70 -3.518 -11.033 -4.926 1.00 51.44 N ATOM 1134 CA ILE A 70 -3.460 -11.027 -3.460 1.00 65.15 C ATOM 1135 C ILE A 70 -4.529 -10.106 -2.849 1.00 31.23 C ATOM 1136 O ILE A 70 -5.246 -9.404 -3.563 1.00 52.42 O ATOM 1137 CB ILE A 70 -2.060 -10.592 -2.951 1.00 43.11 C ATOM 1138 CG1 ILE A 70 -1.724 -9.164 -3.422 1.00 61.24 C ATOM 1139 CG2 ILE A 70 -0.993 -11.587 -3.409 1.00 30.34 C ATOM 1140 CD1 ILE A 70 -0.375 -8.662 -2.948 1.00 51.11 C ATOM 0 H ILE A 70 -2.901 -10.353 -5.370 1.00 51.44 H new ATOM 0 HA ILE A 70 -3.656 -12.050 -3.140 1.00 65.15 H new ATOM 0 HB ILE A 70 -2.076 -10.587 -1.861 1.00 43.11 H new ATOM 0 HG12 ILE A 70 -1.749 -9.136 -4.511 1.00 61.24 H new ATOM 0 HG13 ILE A 70 -2.499 -8.484 -3.068 1.00 61.24 H new ATOM 0 HG21 ILE A 70 -0.017 -11.268 -3.044 1.00 30.34 H new ATOM 0 HG22 ILE A 70 -1.223 -12.576 -3.012 1.00 30.34 H new ATOM 0 HG23 ILE A 70 -0.977 -11.628 -4.498 1.00 30.34 H new ATOM 0 HD11 ILE A 70 -0.212 -7.651 -3.320 1.00 51.11 H new ATOM 0 HD12 ILE A 70 -0.352 -8.656 -1.858 1.00 51.11 H new ATOM 0 HD13 ILE A 70 0.410 -9.318 -3.324 1.00 51.11 H new ATOM 1152 N THR A 71 -4.624 -10.116 -1.521 1.00 22.03 N ATOM 1153 CA THR A 71 -5.605 -9.297 -0.797 1.00 31.14 C ATOM 1154 C THR A 71 -5.030 -7.918 -0.446 1.00 45.13 C ATOM 1155 O THR A 71 -3.873 -7.809 -0.041 1.00 64.41 O ATOM 1156 CB THR A 71 -6.046 -9.991 0.518 1.00 75.41 C ATOM 1157 OG1 THR A 71 -6.491 -11.332 0.252 1.00 20.14 O ATOM 1158 CG2 THR A 71 -7.163 -9.214 1.210 1.00 23.21 C ATOM 0 H THR A 71 -4.031 -10.685 -0.917 1.00 22.03 H new ATOM 0 HA THR A 71 -6.463 -9.176 -1.458 1.00 31.14 H new ATOM 0 HB THR A 71 -5.181 -10.018 1.180 1.00 75.41 H new ATOM 0 HG1 THR A 71 -6.765 -11.758 1.091 1.00 20.14 H new ATOM 0 HG21 THR A 71 -7.449 -9.727 2.128 1.00 23.21 H new ATOM 0 HG22 THR A 71 -6.813 -8.210 1.450 1.00 23.21 H new ATOM 0 HG23 THR A 71 -8.026 -9.149 0.547 1.00 23.21 H new ATOM 1166 N VAL A 72 -5.839 -6.869 -0.588 1.00 71.31 N ATOM 1167 CA VAL A 72 -5.418 -5.517 -0.203 1.00 21.44 C ATOM 1168 C VAL A 72 -6.525 -4.782 0.574 1.00 31.25 C ATOM 1169 O VAL A 72 -7.670 -4.698 0.127 1.00 73.20 O ATOM 1170 CB VAL A 72 -4.994 -4.668 -1.436 1.00 14.11 C ATOM 1171 CG1 VAL A 72 -6.174 -4.421 -2.376 1.00 73.25 C ATOM 1172 CG2 VAL A 72 -4.364 -3.347 -0.995 1.00 13.24 C ATOM 0 H VAL A 72 -6.785 -6.925 -0.964 1.00 71.31 H new ATOM 0 HA VAL A 72 -4.551 -5.637 0.447 1.00 21.44 H new ATOM 0 HB VAL A 72 -4.245 -5.236 -1.988 1.00 14.11 H new ATOM 0 HG11 VAL A 72 -5.843 -3.825 -3.227 1.00 73.25 H new ATOM 0 HG12 VAL A 72 -6.562 -5.376 -2.731 1.00 73.25 H new ATOM 0 HG13 VAL A 72 -6.959 -3.886 -1.842 1.00 73.25 H new ATOM 0 HG21 VAL A 72 -4.075 -2.770 -1.874 1.00 13.24 H new ATOM 0 HG22 VAL A 72 -5.085 -2.778 -0.408 1.00 13.24 H new ATOM 0 HG23 VAL A 72 -3.482 -3.549 -0.388 1.00 13.24 H new ATOM 1182 N THR A 73 -6.182 -4.273 1.752 1.00 12.25 N ATOM 1183 CA THR A 73 -7.117 -3.471 2.553 1.00 43.31 C ATOM 1184 C THR A 73 -6.456 -2.160 2.988 1.00 42.41 C ATOM 1185 O THR A 73 -5.435 -2.166 3.669 1.00 10.03 O ATOM 1186 CB THR A 73 -7.611 -4.245 3.804 1.00 12.11 C ATOM 1187 OG1 THR A 73 -6.499 -4.643 4.621 1.00 43.11 O ATOM 1188 CG2 THR A 73 -8.410 -5.484 3.405 1.00 44.12 C ATOM 0 H THR A 73 -5.264 -4.398 2.179 1.00 12.25 H new ATOM 0 HA THR A 73 -7.981 -3.254 1.925 1.00 43.31 H new ATOM 0 HB THR A 73 -8.258 -3.575 4.370 1.00 12.11 H new ATOM 0 HG1 THR A 73 -6.827 -5.128 5.407 1.00 43.11 H new ATOM 0 HG21 THR A 73 -8.743 -6.006 4.302 1.00 44.12 H new ATOM 0 HG22 THR A 73 -9.277 -5.184 2.817 1.00 44.12 H new ATOM 0 HG23 THR A 73 -7.781 -6.147 2.811 1.00 44.12 H new ATOM 1196 N TYR A 74 -7.039 -1.034 2.597 1.00 14.22 N ATOM 1197 CA TYR A 74 -6.435 0.277 2.862 1.00 2.41 C ATOM 1198 C TYR A 74 -7.361 1.181 3.689 1.00 31.32 C ATOM 1199 O TYR A 74 -8.461 1.523 3.261 1.00 24.33 O ATOM 1200 CB TYR A 74 -6.044 0.960 1.536 1.00 71.53 C ATOM 1201 CG TYR A 74 -7.132 0.938 0.471 1.00 21.10 C ATOM 1202 CD1 TYR A 74 -7.297 -0.171 -0.355 1.00 13.34 C ATOM 1203 CD2 TYR A 74 -7.994 2.020 0.291 1.00 21.43 C ATOM 1204 CE1 TYR A 74 -8.281 -0.202 -1.323 1.00 72.12 C ATOM 1205 CE2 TYR A 74 -8.982 1.993 -0.676 1.00 62.24 C ATOM 1206 CZ TYR A 74 -9.122 0.879 -1.479 1.00 75.44 C ATOM 1207 OH TYR A 74 -10.110 0.846 -2.441 1.00 4.32 O ATOM 0 H TYR A 74 -7.927 -0.996 2.096 1.00 14.22 H new ATOM 0 HA TYR A 74 -5.535 0.114 3.455 1.00 2.41 H new ATOM 0 HB2 TYR A 74 -5.774 1.996 1.741 1.00 71.53 H new ATOM 0 HB3 TYR A 74 -5.154 0.472 1.139 1.00 71.53 H new ATOM 0 HD1 TYR A 74 -6.643 -1.022 -0.236 1.00 13.34 H new ATOM 0 HD2 TYR A 74 -7.888 2.893 0.917 1.00 21.43 H new ATOM 0 HE1 TYR A 74 -8.391 -1.070 -1.956 1.00 72.12 H new ATOM 0 HE2 TYR A 74 -9.641 2.839 -0.802 1.00 62.24 H new ATOM 0 HH TYR A 74 -10.615 1.685 -2.420 1.00 4.32 H new ATOM 1217 N THR A 75 -6.910 1.558 4.885 1.00 74.53 N ATOM 1218 CA THR A 75 -7.686 2.437 5.772 1.00 61.31 C ATOM 1219 C THR A 75 -7.204 3.892 5.666 1.00 42.52 C ATOM 1220 O THR A 75 -6.057 4.205 5.995 1.00 23.22 O ATOM 1221 CB THR A 75 -7.588 1.986 7.254 1.00 60.05 C ATOM 1222 OG1 THR A 75 -8.039 0.629 7.391 1.00 54.01 O ATOM 1223 CG2 THR A 75 -8.415 2.887 8.169 1.00 40.25 C ATOM 0 H THR A 75 -6.009 1.270 5.267 1.00 74.53 H new ATOM 0 HA THR A 75 -8.724 2.370 5.448 1.00 61.31 H new ATOM 0 HB THR A 75 -6.542 2.059 7.551 1.00 60.05 H new ATOM 0 HG1 THR A 75 -7.971 0.355 8.329 1.00 54.01 H new ATOM 0 HG21 THR A 75 -8.323 2.542 9.199 1.00 40.25 H new ATOM 0 HG22 THR A 75 -8.051 3.912 8.096 1.00 40.25 H new ATOM 0 HG23 THR A 75 -9.461 2.851 7.866 1.00 40.25 H new ATOM 1231 N ILE A 76 -8.084 4.775 5.205 1.00 44.14 N ATOM 1232 CA ILE A 76 -7.752 6.196 5.062 1.00 43.11 C ATOM 1233 C ILE A 76 -7.897 6.934 6.402 1.00 4.14 C ATOM 1234 O ILE A 76 -9.003 7.085 6.920 1.00 35.03 O ATOM 1235 CB ILE A 76 -8.662 6.878 4.007 1.00 23.03 C ATOM 1236 CG1 ILE A 76 -8.623 6.105 2.674 1.00 24.40 C ATOM 1237 CG2 ILE A 76 -8.249 8.339 3.801 1.00 10.30 C ATOM 1238 CD1 ILE A 76 -7.242 6.008 2.054 1.00 40.22 C ATOM 0 H ILE A 76 -9.034 4.535 4.923 1.00 44.14 H new ATOM 0 HA ILE A 76 -6.715 6.252 4.731 1.00 43.11 H new ATOM 0 HB ILE A 76 -9.687 6.864 4.378 1.00 23.03 H new ATOM 0 HG12 ILE A 76 -9.007 5.098 2.839 1.00 24.40 H new ATOM 0 HG13 ILE A 76 -9.294 6.590 1.965 1.00 24.40 H new ATOM 0 HG21 ILE A 76 -8.899 8.800 3.057 1.00 10.30 H new ATOM 0 HG22 ILE A 76 -8.337 8.878 4.744 1.00 10.30 H new ATOM 0 HG23 ILE A 76 -7.216 8.380 3.455 1.00 10.30 H new ATOM 0 HD11 ILE A 76 -7.301 5.450 1.120 1.00 40.22 H new ATOM 0 HD12 ILE A 76 -6.862 7.010 1.855 1.00 40.22 H new ATOM 0 HD13 ILE A 76 -6.570 5.495 2.742 1.00 40.22 H new ATOM 1250 N ARG A 77 -6.781 7.389 6.967 1.00 44.01 N ATOM 1251 CA ARG A 77 -6.805 8.103 8.251 1.00 12.33 C ATOM 1252 C ARG A 77 -7.243 9.561 8.049 1.00 61.12 C ATOM 1253 O ARG A 77 -6.456 10.405 7.613 1.00 31.51 O ATOM 1254 CB ARG A 77 -5.424 8.039 8.923 1.00 61.42 C ATOM 1255 CG ARG A 77 -4.868 6.621 9.050 1.00 13.31 C ATOM 1256 CD ARG A 77 -5.809 5.698 9.819 1.00 44.32 C ATOM 1257 NE ARG A 77 -5.985 6.121 11.206 1.00 2.14 N ATOM 1258 CZ ARG A 77 -7.135 6.169 11.823 1.00 23.42 C ATOM 1259 NH1 ARG A 77 -8.233 5.903 11.196 1.00 72.52 N ATOM 1260 NH2 ARG A 77 -7.180 6.506 13.065 1.00 4.44 N ATOM 0 H ARG A 77 -5.851 7.279 6.562 1.00 44.01 H new ATOM 0 HA ARG A 77 -7.529 7.618 8.905 1.00 12.33 H new ATOM 0 HB2 ARG A 77 -4.722 8.645 8.350 1.00 61.42 H new ATOM 0 HB3 ARG A 77 -5.492 8.484 9.916 1.00 61.42 H new ATOM 0 HG2 ARG A 77 -4.693 6.211 8.055 1.00 13.31 H new ATOM 0 HG3 ARG A 77 -3.903 6.655 9.555 1.00 13.31 H new ATOM 0 HD2 ARG A 77 -6.779 5.675 9.322 1.00 44.32 H new ATOM 0 HD3 ARG A 77 -5.416 4.682 9.798 1.00 44.32 H new ATOM 0 HE ARG A 77 -5.153 6.398 11.728 1.00 2.14 H new ATOM 0 HH11 ARG A 77 -8.208 5.652 10.208 1.00 72.52 H new ATOM 0 HH12 ARG A 77 -9.125 5.944 11.689 1.00 72.52 H new ATOM 0 HH21 ARG A 77 -6.320 6.734 13.563 1.00 4.44 H new ATOM 0 HH22 ARG A 77 -8.076 6.545 13.551 1.00 4.44 H new ATOM 1274 N LEU A 78 -8.504 9.848 8.360 1.00 50.44 N ATOM 1275 CA LEU A 78 -9.087 11.167 8.100 1.00 72.22 C ATOM 1276 C LEU A 78 -8.696 12.202 9.166 1.00 3.21 C ATOM 1277 O LEU A 78 -8.787 11.944 10.372 1.00 41.33 O ATOM 1278 CB LEU A 78 -10.617 11.056 8.018 1.00 71.24 C ATOM 1279 CG LEU A 78 -11.152 10.153 6.893 1.00 15.42 C ATOM 1280 CD1 LEU A 78 -12.675 10.077 6.945 1.00 13.32 C ATOM 1281 CD2 LEU A 78 -10.682 10.654 5.528 1.00 63.21 C ATOM 0 H LEU A 78 -9.146 9.185 8.794 1.00 50.44 H new ATOM 0 HA LEU A 78 -8.687 11.515 7.148 1.00 72.22 H new ATOM 0 HB2 LEU A 78 -10.989 10.680 8.971 1.00 71.24 H new ATOM 0 HB3 LEU A 78 -11.031 12.056 7.887 1.00 71.24 H new ATOM 0 HG LEU A 78 -10.754 9.149 7.042 1.00 15.42 H new ATOM 0 HD11 LEU A 78 -13.035 9.434 6.142 1.00 13.32 H new ATOM 0 HD12 LEU A 78 -12.986 9.666 7.906 1.00 13.32 H new ATOM 0 HD13 LEU A 78 -13.093 11.076 6.825 1.00 13.32 H new ATOM 0 HD21 LEU A 78 -11.072 10.001 4.747 1.00 63.21 H new ATOM 0 HD22 LEU A 78 -11.046 11.669 5.368 1.00 63.21 H new ATOM 0 HD23 LEU A 78 -9.593 10.650 5.494 1.00 63.21 H new ATOM 1293 N GLU A 79 -8.260 13.372 8.706 1.00 75.52 N ATOM 1294 CA GLU A 79 -7.980 14.505 9.589 1.00 41.24 C ATOM 1295 C GLU A 79 -9.283 14.982 10.254 1.00 64.14 C ATOM 1296 O GLU A 79 -10.212 15.431 9.577 1.00 4.01 O ATOM 1297 CB GLU A 79 -7.330 15.641 8.782 1.00 75.54 C ATOM 1298 CG GLU A 79 -6.915 16.848 9.614 1.00 53.25 C ATOM 1299 CD GLU A 79 -6.280 17.942 8.768 1.00 2.42 C ATOM 1300 OE1 GLU A 79 -5.080 17.837 8.451 1.00 74.25 O ATOM 1301 OE2 GLU A 79 -6.981 18.909 8.406 1.00 64.31 O ATOM 0 H GLU A 79 -8.091 13.563 7.718 1.00 75.52 H new ATOM 0 HA GLU A 79 -7.288 14.196 10.372 1.00 41.24 H new ATOM 0 HB2 GLU A 79 -6.451 15.249 8.269 1.00 75.54 H new ATOM 0 HB3 GLU A 79 -8.028 15.969 8.012 1.00 75.54 H new ATOM 0 HG2 GLU A 79 -7.788 17.250 10.128 1.00 53.25 H new ATOM 0 HG3 GLU A 79 -6.210 16.531 10.383 1.00 53.25 H new ATOM 1308 N HIS A 80 -9.353 14.871 11.578 1.00 72.13 N ATOM 1309 CA HIS A 80 -10.603 15.120 12.310 1.00 23.50 C ATOM 1310 C HIS A 80 -10.466 16.240 13.355 1.00 41.51 C ATOM 1311 O HIS A 80 -9.361 16.684 13.675 1.00 51.10 O ATOM 1312 CB HIS A 80 -11.087 13.819 12.970 1.00 12.24 C ATOM 1313 CG HIS A 80 -10.030 13.106 13.759 1.00 72.03 C ATOM 1314 ND1 HIS A 80 -9.140 12.218 13.187 1.00 13.35 N ATOM 1315 CD2 HIS A 80 -9.717 13.146 15.078 1.00 61.53 C ATOM 1316 CE1 HIS A 80 -8.332 11.746 14.114 1.00 1.25 C ATOM 1317 NE2 HIS A 80 -8.660 12.292 15.266 1.00 32.22 N ATOM 0 H HIS A 80 -8.564 14.611 12.170 1.00 72.13 H new ATOM 0 HA HIS A 80 -11.343 15.461 11.586 1.00 23.50 H new ATOM 0 HB2 HIS A 80 -11.925 14.048 13.628 1.00 12.24 H new ATOM 0 HB3 HIS A 80 -11.463 13.149 12.197 1.00 12.24 H new ATOM 0 HD1 HIS A 80 -9.113 11.966 12.199 1.00 13.35 H new ATOM 0 HD2 HIS A 80 -10.207 13.738 15.837 1.00 61.53 H new ATOM 0 HE1 HIS A 80 -7.536 11.033 13.956 1.00 1.25 H new ATOM 1326 N HIS A 81 -11.606 16.679 13.879 1.00 14.22 N ATOM 1327 CA HIS A 81 -11.666 17.771 14.854 1.00 71.14 C ATOM 1328 C HIS A 81 -13.064 17.864 15.480 1.00 42.10 C ATOM 1329 O HIS A 81 -14.044 18.112 14.778 1.00 2.21 O ATOM 1330 CB HIS A 81 -11.311 19.109 14.180 1.00 24.11 C ATOM 1331 CG HIS A 81 -11.523 20.310 15.057 1.00 54.31 C ATOM 1332 ND1 HIS A 81 -12.638 21.116 14.971 1.00 62.21 N ATOM 1333 CD2 HIS A 81 -10.758 20.841 16.040 1.00 5.34 C ATOM 1334 CE1 HIS A 81 -12.552 22.084 15.857 1.00 1.11 C ATOM 1335 NE2 HIS A 81 -11.424 21.942 16.520 1.00 21.20 N ATOM 0 H HIS A 81 -12.518 16.289 13.641 1.00 14.22 H new ATOM 0 HA HIS A 81 -10.942 17.562 15.641 1.00 71.14 H new ATOM 0 HB2 HIS A 81 -10.267 19.081 13.866 1.00 24.11 H new ATOM 0 HB3 HIS A 81 -11.912 19.220 13.278 1.00 24.11 H new ATOM 0 HD2 HIS A 81 -9.804 20.469 16.382 1.00 5.34 H new ATOM 0 HE1 HIS A 81 -13.283 22.863 16.014 1.00 1.11 H new ATOM 0 HE2 HIS A 81 -11.097 22.552 17.270 1.00 21.20 H new ATOM 1344 N HIS A 82 -13.153 17.659 16.794 1.00 53.31 N ATOM 1345 CA HIS A 82 -14.429 17.764 17.511 1.00 32.43 C ATOM 1346 C HIS A 82 -14.998 19.193 17.406 1.00 22.52 C ATOM 1347 O HIS A 82 -14.638 20.077 18.186 1.00 24.44 O ATOM 1348 CB HIS A 82 -14.233 17.363 18.983 1.00 72.30 C ATOM 1349 CG HIS A 82 -15.503 17.314 19.781 1.00 41.10 C ATOM 1350 ND1 HIS A 82 -15.902 18.331 20.621 1.00 21.21 N ATOM 1351 CD2 HIS A 82 -16.463 16.360 19.871 1.00 25.15 C ATOM 1352 CE1 HIS A 82 -17.043 18.005 21.196 1.00 73.45 C ATOM 1353 NE2 HIS A 82 -17.404 16.820 20.758 1.00 23.43 N ATOM 0 H HIS A 82 -12.358 17.419 17.386 1.00 53.31 H new ATOM 0 HA HIS A 82 -15.147 17.084 17.053 1.00 32.43 H new ATOM 0 HB2 HIS A 82 -13.755 16.384 19.021 1.00 72.30 H new ATOM 0 HB3 HIS A 82 -13.549 18.070 19.453 1.00 72.30 H new ATOM 0 HD2 HIS A 82 -16.483 15.417 19.345 1.00 25.15 H new ATOM 0 HE1 HIS A 82 -17.588 18.609 21.906 1.00 73.45 H new ATOM 0 HE2 HIS A 82 -18.250 16.321 21.034 1.00 23.43 H new ATOM 1362 N HIS A 83 -15.865 19.411 16.415 1.00 25.03 N ATOM 1363 CA HIS A 83 -16.435 20.742 16.149 1.00 43.44 C ATOM 1364 C HIS A 83 -17.291 21.273 17.312 1.00 73.22 C ATOM 1365 O HIS A 83 -17.698 20.522 18.202 1.00 62.24 O ATOM 1366 CB HIS A 83 -17.267 20.720 14.853 1.00 23.41 C ATOM 1367 CG HIS A 83 -18.387 19.712 14.829 1.00 63.03 C ATOM 1368 ND1 HIS A 83 -19.048 19.071 15.828 1.00 65.33 N flip ATOM 1369 CD2 HIS A 83 -18.963 19.264 13.657 1.00 21.10 C flip ATOM 1370 CE1 HIS A 83 -19.992 18.267 15.243 1.00 20.04 C flip ATOM 1371 NE2 HIS A 83 -19.921 18.404 13.936 1.00 61.34 N flip ATOM 0 H HIS A 83 -16.191 18.683 15.779 1.00 25.03 H new ATOM 0 HA HIS A 83 -15.592 21.423 16.036 1.00 43.44 H new ATOM 0 HB2 HIS A 83 -17.689 21.712 14.694 1.00 23.41 H new ATOM 0 HB3 HIS A 83 -16.600 20.519 14.015 1.00 23.41 H new ATOM 0 HD1 HIS A 83 -18.874 19.170 16.828 1.00 65.33 H new ATOM 0 HD2 HIS A 83 -18.673 19.572 12.663 1.00 21.10 H new ATOM 0 HE1 HIS A 83 -20.682 17.625 15.770 1.00 20.04 H new ATOM 1380 N HIS A 84 -17.557 22.577 17.292 1.00 13.11 N ATOM 1381 CA HIS A 84 -18.422 23.213 18.290 1.00 30.04 C ATOM 1382 C HIS A 84 -19.850 23.397 17.752 1.00 73.02 C ATOM 1383 O HIS A 84 -20.823 23.187 18.474 1.00 72.30 O ATOM 1384 CB HIS A 84 -17.842 24.566 18.724 1.00 73.35 C ATOM 1385 CG HIS A 84 -16.499 24.459 19.383 1.00 21.01 C ATOM 1386 ND1 HIS A 84 -16.278 23.719 20.524 1.00 41.40 N ATOM 1387 CD2 HIS A 84 -15.299 25.002 19.057 1.00 22.11 C ATOM 1388 CE1 HIS A 84 -15.013 23.812 20.870 1.00 42.01 C ATOM 1389 NE2 HIS A 84 -14.396 24.584 20.001 1.00 72.53 N ATOM 0 H HIS A 84 -17.185 23.219 16.592 1.00 13.11 H new ATOM 0 HA HIS A 84 -18.467 22.555 19.158 1.00 30.04 H new ATOM 0 HB2 HIS A 84 -17.759 25.213 17.851 1.00 73.35 H new ATOM 0 HB3 HIS A 84 -18.538 25.047 19.412 1.00 73.35 H new ATOM 0 HD2 HIS A 84 -15.093 25.643 18.213 1.00 22.11 H new ATOM 0 HE1 HIS A 84 -14.557 23.335 21.725 1.00 42.01 H new ATOM 0 HE2 HIS A 84 -13.407 24.831 20.025 1.00 72.53 H new ATOM 1398 N HIS A 85 -19.973 23.774 16.479 1.00 5.34 N ATOM 1399 CA HIS A 85 -21.296 23.977 15.858 1.00 15.34 C ATOM 1400 C HIS A 85 -21.506 23.043 14.642 1.00 4.33 C ATOM 1401 O HIS A 85 -22.106 23.477 13.634 1.00 38.00 O ATOM 1402 CB HIS A 85 -21.461 25.453 15.449 1.00 32.25 C ATOM 1403 CG HIS A 85 -20.469 25.919 14.421 1.00 3.44 C ATOM 1404 ND1 HIS A 85 -20.628 25.701 13.070 1.00 41.14 N ATOM 1405 CD2 HIS A 85 -19.296 26.582 14.551 1.00 43.43 C ATOM 1406 CE1 HIS A 85 -19.605 26.206 12.417 1.00 34.51 C ATOM 1407 NE2 HIS A 85 -18.777 26.746 13.288 1.00 73.12 N ATOM 1408 OXT HIS A 85 -21.049 21.879 14.697 1.00 38.00 O ATOM 0 H HIS A 85 -19.184 23.946 15.856 1.00 5.34 H new ATOM 0 HA HIS A 85 -22.059 23.724 16.594 1.00 15.34 H new ATOM 0 HB2 HIS A 85 -22.468 25.601 15.059 1.00 32.25 H new ATOM 0 HB3 HIS A 85 -21.368 26.078 16.337 1.00 32.25 H new ATOM 0 HD1 HIS A 85 -21.419 25.221 12.642 1.00 41.14 H new ATOM 0 HD2 HIS A 85 -18.850 26.920 15.475 1.00 43.43 H new ATOM 0 HE1 HIS A 85 -19.466 26.182 11.346 1.00 34.51 H new TER 1417 HIS A 85