USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 8 ASN : amide:sc= -0.808 K(o=-0.81,f=0) USER MOD Single : A 13 THR OG1 : rot 99:sc= 1.22 USER MOD Single : A 19 CYS SG : rot 76:sc= 0.225 USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0425 (180deg=-0.289) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0.96 K(o=0.96,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc=-0.00666 (180deg=-0.135) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 1.11 (180deg=1.1) USER MOD Single : A 40 SER OG : rot 180:sc= -1.5! USER MOD Single : A 45 LYS NZ :NH3+ 173:sc=-0.00751 (180deg=-0.0774) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0284) USER MOD Single : A 53 GLN : amide:sc= -0.669 K(o=-0.67,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= -0.0137 (180deg=-0.166) USER MOD Single : A 56 SER OG : rot -66:sc= 1.22 USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0302 (180deg=-0.217) USER MOD Single : A 69 GLN : amide:sc= -0.0135 K(o=-0.013,f=-0.57) USER MOD Single : A 70 ASN : amide:sc= -1.36! X(o=-1.4!,f=-1.2) USER MOD Single : A 72 SER OG : rot 180:sc= -0.156 USER MOD Single : A 79 SER OG : rot -88:sc= 0.894 USER MOD Single : A 83 THR OG1 : rot -125:sc= 0.0648 USER MOD Single : A 84 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.2) USER MOD Single : A 88 LYS NZ :NH3+ -172:sc= 1.17 (180deg=0.876) USER MOD Single : A 92 SER OG : rot 50:sc= 0.237 USER MOD Single : A 97 LYS NZ :NH3+ -136:sc= 0.507 (180deg=-0.0319) USER MOD Single : A 106 MET CE :methyl -122:sc= -1.2 (180deg=-3.58!) USER MOD Single : A 108 LYS NZ :NH3+ -171:sc=-0.00761 (180deg=-0.1) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -14.027 6.512 3.604 1.00 0.00 N ATOM 61 CA GLY A 5 -13.166 7.591 4.050 1.00 0.00 C ATOM 62 C GLY A 5 -11.938 7.064 4.753 1.00 0.00 C ATOM 63 O GLY A 5 -11.136 7.832 5.289 1.00 0.00 O ATOM 0 HA2 GLY A 5 -12.865 8.196 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.720 8.245 4.724 1.00 0.00 H new ATOM 67 N ILE A 6 -11.803 5.741 4.756 1.00 0.00 N ATOM 68 CA ILE A 6 -10.616 5.088 5.290 1.00 0.00 C ATOM 69 C ILE A 6 -9.387 5.583 4.541 1.00 0.00 C ATOM 70 O ILE A 6 -8.342 5.850 5.128 1.00 0.00 O ATOM 71 CB ILE A 6 -10.722 3.552 5.155 1.00 0.00 C ATOM 72 CG1 ILE A 6 -11.879 3.024 6.008 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.411 2.881 5.547 1.00 0.00 C ATOM 74 CD1 ILE A 6 -12.113 1.536 5.861 1.00 0.00 C ATOM 0 H ILE A 6 -12.507 5.098 4.392 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.531 5.334 6.348 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.923 3.310 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.679 3.250 7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.791 3.555 5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.510 1.800 5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.612 3.236 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.172 3.126 6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.947 1.235 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.345 1.305 4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.216 0.995 6.161 1.00 0.00 H new ATOM 86 N LEU A 7 -9.542 5.727 3.239 1.00 0.00 N ATOM 87 CA LEU A 7 -8.499 6.280 2.401 1.00 0.00 C ATOM 88 C LEU A 7 -8.932 7.637 1.875 1.00 0.00 C ATOM 89 O LEU A 7 -10.124 7.906 1.736 1.00 0.00 O ATOM 90 CB LEU A 7 -8.118 5.312 1.247 1.00 0.00 C ATOM 91 CG LEU A 7 -9.136 5.068 0.097 1.00 0.00 C ATOM 92 CD1 LEU A 7 -10.545 4.801 0.604 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.136 6.214 -0.908 1.00 0.00 C ATOM 0 H LEU A 7 -10.390 5.465 2.736 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.601 6.412 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.197 5.683 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.888 4.344 1.693 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.801 4.164 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.212 4.638 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.541 3.915 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.893 5.658 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.860 6.007 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.406 7.141 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.143 6.315 -1.345 1.00 0.00 H new ATOM 105 N ASN A 8 -7.965 8.499 1.632 1.00 0.00 N ATOM 106 CA ASN A 8 -8.238 9.807 1.065 1.00 0.00 C ATOM 107 C ASN A 8 -7.915 9.787 -0.417 1.00 0.00 C ATOM 108 O ASN A 8 -6.748 9.730 -0.801 1.00 0.00 O ATOM 109 CB ASN A 8 -7.397 10.882 1.760 1.00 0.00 C ATOM 110 CG ASN A 8 -7.649 10.975 3.253 1.00 0.00 C ATOM 111 OD1 ASN A 8 -6.750 11.326 4.018 1.00 0.00 O ATOM 112 ND2 ASN A 8 -8.862 10.661 3.685 1.00 0.00 N ATOM 0 H ASN A 8 -6.979 8.317 1.819 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.292 10.043 1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.341 10.672 1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.608 11.849 1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.076 10.706 4.681 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.581 10.374 3.021 1.00 0.00 H new ATOM 119 N ASP A 9 -8.963 9.819 -1.241 1.00 0.00 N ATOM 120 CA ASP A 9 -8.826 9.785 -2.701 1.00 0.00 C ATOM 121 C ASP A 9 -7.803 10.801 -3.187 1.00 0.00 C ATOM 122 O ASP A 9 -7.032 10.528 -4.104 1.00 0.00 O ATOM 123 CB ASP A 9 -10.179 10.060 -3.364 1.00 0.00 C ATOM 124 CG ASP A 9 -10.084 10.196 -4.873 1.00 0.00 C ATOM 125 OD1 ASP A 9 -10.161 9.168 -5.577 1.00 0.00 O ATOM 126 OD2 ASP A 9 -9.949 11.338 -5.367 1.00 0.00 O ATOM 0 H ASP A 9 -9.929 9.869 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.478 8.790 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.868 9.251 -3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.602 10.975 -2.948 1.00 0.00 H new ATOM 131 N ALA A 10 -7.792 11.962 -2.553 1.00 0.00 N ATOM 132 CA ALA A 10 -6.862 13.023 -2.901 1.00 0.00 C ATOM 133 C ALA A 10 -5.414 12.606 -2.636 1.00 0.00 C ATOM 134 O ALA A 10 -4.546 12.783 -3.491 1.00 0.00 O ATOM 135 CB ALA A 10 -7.206 14.277 -2.120 1.00 0.00 C ATOM 0 H ALA A 10 -8.424 12.195 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.954 13.225 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.508 15.072 -2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.221 14.591 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.137 14.071 -1.052 1.00 0.00 H new ATOM 141 N ASP A 11 -5.164 12.035 -1.461 1.00 0.00 N ATOM 142 CA ASP A 11 -3.816 11.613 -1.082 1.00 0.00 C ATOM 143 C ASP A 11 -3.363 10.428 -1.915 1.00 0.00 C ATOM 144 O ASP A 11 -2.197 10.334 -2.301 1.00 0.00 O ATOM 145 CB ASP A 11 -3.747 11.266 0.408 1.00 0.00 C ATOM 146 CG ASP A 11 -3.780 12.496 1.296 1.00 0.00 C ATOM 147 OD1 ASP A 11 -4.781 13.241 1.261 1.00 0.00 O ATOM 148 OD2 ASP A 11 -2.807 12.723 2.045 1.00 0.00 O ATOM 0 H ASP A 11 -5.876 11.853 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.144 12.449 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.583 10.615 0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.833 10.705 0.605 1.00 0.00 H new ATOM 153 N ILE A 12 -4.293 9.531 -2.192 1.00 0.00 N ATOM 154 CA ILE A 12 -4.033 8.405 -3.076 1.00 0.00 C ATOM 155 C ILE A 12 -3.662 8.916 -4.468 1.00 0.00 C ATOM 156 O ILE A 12 -2.666 8.488 -5.054 1.00 0.00 O ATOM 157 CB ILE A 12 -5.265 7.469 -3.147 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.240 6.440 -2.010 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.356 6.756 -4.488 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.421 7.025 -0.629 1.00 0.00 C ATOM 0 H ILE A 12 -5.241 9.560 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.198 7.829 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.148 8.098 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.026 5.705 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.291 5.905 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.233 6.109 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.440 7.493 -5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.460 6.154 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.390 6.226 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.621 7.737 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.383 7.534 -0.573 1.00 0.00 H new ATOM 172 N THR A 13 -4.452 9.861 -4.967 1.00 0.00 N ATOM 173 CA THR A 13 -4.208 10.475 -6.265 1.00 0.00 C ATOM 174 C THR A 13 -2.832 11.142 -6.310 1.00 0.00 C ATOM 175 O THR A 13 -2.147 11.094 -7.331 1.00 0.00 O ATOM 176 CB THR A 13 -5.306 11.514 -6.588 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.581 10.864 -6.673 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.023 12.242 -7.892 1.00 0.00 C ATOM 0 H THR A 13 -5.276 10.221 -4.485 1.00 0.00 H new ATOM 0 HA THR A 13 -4.233 9.685 -7.016 1.00 0.00 H new ATOM 0 HB THR A 13 -5.314 12.249 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.067 10.985 -5.830 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.816 12.964 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.068 12.763 -7.818 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.981 11.522 -8.709 1.00 0.00 H new ATOM 186 N ALA A 14 -2.431 11.742 -5.192 1.00 0.00 N ATOM 187 CA ALA A 14 -1.135 12.404 -5.094 1.00 0.00 C ATOM 188 C ALA A 14 0.008 11.412 -5.293 1.00 0.00 C ATOM 189 O ALA A 14 0.930 11.665 -6.069 1.00 0.00 O ATOM 190 CB ALA A 14 -1.002 13.108 -3.752 1.00 0.00 C ATOM 0 H ALA A 14 -2.988 11.783 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.074 13.148 -5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.030 13.598 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.791 13.854 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.090 12.378 -2.948 1.00 0.00 H new ATOM 196 N ALA A 15 -0.062 10.275 -4.607 1.00 0.00 N ATOM 197 CA ALA A 15 0.953 9.237 -4.757 1.00 0.00 C ATOM 198 C ALA A 15 0.951 8.698 -6.181 1.00 0.00 C ATOM 199 O ALA A 15 2.002 8.490 -6.782 1.00 0.00 O ATOM 200 CB ALA A 15 0.722 8.109 -3.762 1.00 0.00 C ATOM 0 H ALA A 15 -0.806 10.050 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 15 1.928 9.678 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.490 7.346 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.770 8.504 -2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.260 7.668 -3.934 1.00 0.00 H new ATOM 206 N LEU A 16 -0.244 8.510 -6.724 1.00 0.00 N ATOM 207 CA LEU A 16 -0.407 8.020 -8.088 1.00 0.00 C ATOM 208 C LEU A 16 0.080 9.049 -9.105 1.00 0.00 C ATOM 209 O LEU A 16 0.343 8.718 -10.257 1.00 0.00 O ATOM 210 CB LEU A 16 -1.874 7.677 -8.350 1.00 0.00 C ATOM 211 CG LEU A 16 -2.447 6.567 -7.470 1.00 0.00 C ATOM 212 CD1 LEU A 16 -3.941 6.435 -7.698 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.747 5.247 -7.749 1.00 0.00 C ATOM 0 H LEU A 16 -1.122 8.691 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 16 0.198 7.120 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.472 8.577 -8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.982 7.384 -9.394 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.276 6.830 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.337 5.641 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.432 7.376 -7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.129 6.193 -8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.169 4.470 -7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.887 4.975 -8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.682 5.349 -7.540 1.00 0.00 H new ATOM 225 N ALA A 17 0.176 10.301 -8.679 1.00 0.00 N ATOM 226 CA ALA A 17 0.676 11.362 -9.539 1.00 0.00 C ATOM 227 C ALA A 17 2.197 11.346 -9.576 1.00 0.00 C ATOM 228 O ALA A 17 2.811 11.699 -10.583 1.00 0.00 O ATOM 229 CB ALA A 17 0.167 12.715 -9.068 1.00 0.00 C ATOM 0 H ALA A 17 -0.086 10.606 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 17 0.306 11.189 -10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.551 13.497 -9.723 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.923 12.723 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.507 12.897 -8.048 1.00 0.00 H new ATOM 235 N ALA A 18 2.800 10.924 -8.475 1.00 0.00 N ATOM 236 CA ALA A 18 4.249 10.820 -8.389 1.00 0.00 C ATOM 237 C ALA A 18 4.730 9.564 -9.093 1.00 0.00 C ATOM 238 O ALA A 18 5.697 9.593 -9.856 1.00 0.00 O ATOM 239 CB ALA A 18 4.691 10.799 -6.938 1.00 0.00 C ATOM 0 H ALA A 18 2.307 10.647 -7.626 1.00 0.00 H new ATOM 0 HA ALA A 18 4.687 11.690 -8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.777 10.721 -6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.371 11.718 -6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.243 9.943 -6.433 1.00 0.00 H new ATOM 245 N CYS A 19 4.022 8.473 -8.855 1.00 0.00 N ATOM 246 CA CYS A 19 4.387 7.178 -9.407 1.00 0.00 C ATOM 247 C CYS A 19 3.739 6.959 -10.774 1.00 0.00 C ATOM 248 O CYS A 19 3.645 5.835 -11.263 1.00 0.00 O ATOM 249 CB CYS A 19 3.963 6.078 -8.436 1.00 0.00 C ATOM 250 SG CYS A 19 4.543 6.332 -6.740 1.00 0.00 S ATOM 0 H CYS A 19 3.182 8.459 -8.277 1.00 0.00 H new ATOM 0 HA CYS A 19 5.468 7.147 -9.544 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.875 6.011 -8.431 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.340 5.122 -8.799 1.00 0.00 H new ATOM 0 HG CYS A 19 3.816 7.243 -6.164 1.00 0.00 H new ATOM 256 N LYS A 20 3.284 8.045 -11.387 1.00 0.00 N ATOM 257 CA LYS A 20 2.681 7.976 -12.705 1.00 0.00 C ATOM 258 C LYS A 20 3.771 7.763 -13.751 1.00 0.00 C ATOM 259 O LYS A 20 3.619 6.959 -14.671 1.00 0.00 O ATOM 260 CB LYS A 20 1.893 9.266 -12.983 1.00 0.00 C ATOM 261 CG LYS A 20 0.813 9.128 -14.049 1.00 0.00 C ATOM 262 CD LYS A 20 1.376 9.131 -15.464 1.00 0.00 C ATOM 263 CE LYS A 20 1.966 10.483 -15.840 1.00 0.00 C ATOM 264 NZ LYS A 20 0.952 11.573 -15.795 1.00 0.00 N ATOM 0 H LYS A 20 3.323 8.983 -10.989 1.00 0.00 H new ATOM 0 HA LYS A 20 1.987 7.136 -12.752 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.429 9.601 -12.055 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.591 10.045 -13.290 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.262 8.202 -13.884 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.100 9.946 -13.945 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.145 8.363 -15.550 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.586 8.871 -16.169 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.784 10.722 -15.160 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.391 10.426 -16.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.319 12.409 -16.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.077 11.252 -16.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.751 11.820 -14.805 1.00 0.00 H new ATOM 278 N ALA A 21 4.873 8.480 -13.590 1.00 0.00 N ATOM 279 CA ALA A 21 6.009 8.355 -14.490 1.00 0.00 C ATOM 280 C ALA A 21 6.777 7.069 -14.214 1.00 0.00 C ATOM 281 O ALA A 21 7.297 6.871 -13.115 1.00 0.00 O ATOM 282 CB ALA A 21 6.926 9.561 -14.354 1.00 0.00 C ATOM 0 H ALA A 21 5.005 9.158 -12.840 1.00 0.00 H new ATOM 0 HA ALA A 21 5.634 8.315 -15.513 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.772 9.454 -15.033 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.374 10.468 -14.602 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.290 9.627 -13.329 1.00 0.00 H new ATOM 288 N GLU A 22 6.832 6.193 -15.209 1.00 0.00 N ATOM 289 CA GLU A 22 7.552 4.935 -15.084 1.00 0.00 C ATOM 290 C GLU A 22 9.023 5.205 -14.801 1.00 0.00 C ATOM 291 O GLU A 22 9.698 5.898 -15.568 1.00 0.00 O ATOM 292 CB GLU A 22 7.413 4.093 -16.356 1.00 0.00 C ATOM 293 CG GLU A 22 5.989 3.998 -16.885 1.00 0.00 C ATOM 294 CD GLU A 22 5.676 5.079 -17.899 1.00 0.00 C ATOM 295 OE1 GLU A 22 5.387 6.226 -17.495 1.00 0.00 O ATOM 296 OE2 GLU A 22 5.726 4.786 -19.109 1.00 0.00 O ATOM 0 H GLU A 22 6.384 6.333 -16.115 1.00 0.00 H new ATOM 0 HA GLU A 22 7.120 4.376 -14.254 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.050 4.518 -17.132 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.783 3.087 -16.156 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.839 3.020 -17.343 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.289 4.071 -16.052 1.00 0.00 H new ATOM 303 N GLY A 23 9.507 4.671 -13.692 1.00 0.00 N ATOM 304 CA GLY A 23 10.862 4.945 -13.263 1.00 0.00 C ATOM 305 C GLY A 23 10.872 5.810 -12.022 1.00 0.00 C ATOM 306 O GLY A 23 11.800 5.754 -11.217 1.00 0.00 O ATOM 0 H GLY A 23 8.982 4.049 -13.077 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.380 4.008 -13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.407 5.445 -14.064 1.00 0.00 H new ATOM 310 N SER A 24 9.814 6.586 -11.861 1.00 0.00 N ATOM 311 CA SER A 24 9.656 7.454 -10.708 1.00 0.00 C ATOM 312 C SER A 24 8.783 6.772 -9.657 1.00 0.00 C ATOM 313 O SER A 24 7.844 7.362 -9.124 1.00 0.00 O ATOM 314 CB SER A 24 9.036 8.780 -11.153 1.00 0.00 C ATOM 315 OG SER A 24 9.859 9.422 -12.116 1.00 0.00 O ATOM 0 H SER A 24 9.041 6.632 -12.525 1.00 0.00 H new ATOM 0 HA SER A 24 10.631 7.654 -10.263 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.047 8.601 -11.574 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.902 9.432 -10.290 1.00 0.00 H new ATOM 0 HG SER A 24 9.445 10.267 -12.389 1.00 0.00 H new ATOM 321 N PHE A 25 9.121 5.525 -9.360 1.00 0.00 N ATOM 322 CA PHE A 25 8.317 4.699 -8.470 1.00 0.00 C ATOM 323 C PHE A 25 8.760 4.830 -7.018 1.00 0.00 C ATOM 324 O PHE A 25 9.950 4.764 -6.704 1.00 0.00 O ATOM 325 CB PHE A 25 8.370 3.232 -8.911 1.00 0.00 C ATOM 326 CG PHE A 25 9.723 2.766 -9.390 1.00 0.00 C ATOM 327 CD1 PHE A 25 10.755 2.524 -8.497 1.00 0.00 C ATOM 328 CD2 PHE A 25 9.956 2.566 -10.742 1.00 0.00 C ATOM 329 CE1 PHE A 25 11.990 2.093 -8.942 1.00 0.00 C ATOM 330 CE2 PHE A 25 11.189 2.134 -11.192 1.00 0.00 C ATOM 331 CZ PHE A 25 12.208 1.898 -10.290 1.00 0.00 C ATOM 0 H PHE A 25 9.952 5.061 -9.725 1.00 0.00 H new ATOM 0 HA PHE A 25 7.289 5.055 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.059 2.604 -8.076 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.645 3.081 -9.710 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.592 2.674 -7.440 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.164 2.750 -11.452 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.785 1.909 -8.234 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.356 1.981 -12.248 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.173 1.562 -10.639 1.00 0.00 H new ATOM 341 N ASP A 26 7.795 5.045 -6.138 1.00 0.00 N ATOM 342 CA ASP A 26 8.060 5.120 -4.710 1.00 0.00 C ATOM 343 C ASP A 26 6.978 4.396 -3.918 1.00 0.00 C ATOM 344 O ASP A 26 5.964 4.991 -3.552 1.00 0.00 O ATOM 345 CB ASP A 26 8.170 6.575 -4.248 1.00 0.00 C ATOM 346 CG ASP A 26 9.552 7.154 -4.474 1.00 0.00 C ATOM 347 OD1 ASP A 26 10.459 6.859 -3.667 1.00 0.00 O ATOM 348 OD2 ASP A 26 9.742 7.908 -5.451 1.00 0.00 O ATOM 0 H ASP A 26 6.815 5.171 -6.390 1.00 0.00 H new ATOM 0 HA ASP A 26 9.014 4.627 -4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.435 7.178 -4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.923 6.636 -3.188 1.00 0.00 H new ATOM 353 N HIS A 27 7.203 3.113 -3.640 1.00 0.00 N ATOM 354 CA HIS A 27 6.242 2.311 -2.877 1.00 0.00 C ATOM 355 C HIS A 27 6.062 2.902 -1.489 1.00 0.00 C ATOM 356 O HIS A 27 4.993 2.819 -0.886 1.00 0.00 O ATOM 357 CB HIS A 27 6.708 0.839 -2.785 1.00 0.00 C ATOM 358 CG HIS A 27 7.467 0.473 -1.533 1.00 0.00 C ATOM 359 ND1 HIS A 27 8.842 0.474 -1.461 1.00 0.00 N ATOM 360 CD2 HIS A 27 7.033 0.081 -0.306 1.00 0.00 C ATOM 361 CE1 HIS A 27 9.220 0.108 -0.253 1.00 0.00 C ATOM 362 NE2 HIS A 27 8.145 -0.138 0.467 1.00 0.00 N ATOM 0 H HIS A 27 8.039 2.606 -3.930 1.00 0.00 H new ATOM 0 HA HIS A 27 5.283 2.329 -3.395 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.832 0.194 -2.859 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.338 0.621 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.005 -0.036 0.003 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.241 0.024 0.089 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.140 -0.442 1.441 1.00 0.00 H new ATOM 371 N LYS A 28 7.133 3.493 -1.004 1.00 0.00 N ATOM 372 CA LYS A 28 7.166 4.073 0.318 1.00 0.00 C ATOM 373 C LYS A 28 6.266 5.289 0.379 1.00 0.00 C ATOM 374 O LYS A 28 5.459 5.429 1.297 1.00 0.00 O ATOM 375 CB LYS A 28 8.599 4.459 0.637 1.00 0.00 C ATOM 376 CG LYS A 28 8.814 4.985 2.047 1.00 0.00 C ATOM 377 CD LYS A 28 10.272 5.337 2.282 1.00 0.00 C ATOM 378 CE LYS A 28 10.510 5.828 3.700 1.00 0.00 C ATOM 379 NZ LYS A 28 11.951 6.088 3.959 1.00 0.00 N ATOM 0 H LYS A 28 8.008 3.584 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 28 6.806 3.351 1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.238 3.589 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.923 5.219 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.193 5.866 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.496 4.235 2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.893 4.462 2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.579 6.107 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.940 6.741 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.141 5.086 4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.073 6.421 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.492 5.210 3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.297 6.814 3.300 1.00 0.00 H new ATOM 393 N ALA A 29 6.398 6.152 -0.620 1.00 0.00 N ATOM 394 CA ALA A 29 5.588 7.353 -0.704 1.00 0.00 C ATOM 395 C ALA A 29 4.112 6.998 -0.682 1.00 0.00 C ATOM 396 O ALA A 29 3.318 7.678 -0.052 1.00 0.00 O ATOM 397 CB ALA A 29 5.927 8.142 -1.958 1.00 0.00 C ATOM 0 H ALA A 29 7.063 6.039 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 29 5.808 7.977 0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.309 9.039 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.979 8.427 -1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.737 7.527 -2.837 1.00 0.00 H new ATOM 403 N PHE A 30 3.760 5.910 -1.351 1.00 0.00 N ATOM 404 CA PHE A 30 2.376 5.469 -1.405 1.00 0.00 C ATOM 405 C PHE A 30 1.848 5.141 -0.007 1.00 0.00 C ATOM 406 O PHE A 30 0.837 5.698 0.418 1.00 0.00 O ATOM 407 CB PHE A 30 2.241 4.248 -2.324 1.00 0.00 C ATOM 408 CG PHE A 30 0.819 3.797 -2.532 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.020 4.399 -3.493 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.281 2.770 -1.769 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.284 3.988 -3.689 1.00 0.00 C ATOM 412 CE2 PHE A 30 -1.024 2.356 -1.961 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.808 2.965 -2.922 1.00 0.00 C ATOM 0 H PHE A 30 4.414 5.318 -1.863 1.00 0.00 H new ATOM 0 HA PHE A 30 1.777 6.284 -1.811 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.683 4.483 -3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.816 3.423 -1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.423 5.199 -4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.889 2.289 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.894 4.466 -4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.431 1.556 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.828 2.642 -3.073 1.00 0.00 H new ATOM 423 N PHE A 31 2.546 4.264 0.722 1.00 0.00 N ATOM 424 CA PHE A 31 2.041 3.790 2.012 1.00 0.00 C ATOM 425 C PHE A 31 1.983 4.912 3.032 1.00 0.00 C ATOM 426 O PHE A 31 1.014 5.039 3.777 1.00 0.00 O ATOM 427 CB PHE A 31 2.865 2.589 2.554 1.00 0.00 C ATOM 428 CG PHE A 31 4.169 2.884 3.260 1.00 0.00 C ATOM 429 CD1 PHE A 31 4.198 3.453 4.523 1.00 0.00 C ATOM 430 CD2 PHE A 31 5.369 2.536 2.665 1.00 0.00 C ATOM 431 CE1 PHE A 31 5.396 3.684 5.170 1.00 0.00 C ATOM 432 CE2 PHE A 31 6.569 2.757 3.311 1.00 0.00 C ATOM 433 CZ PHE A 31 6.582 3.335 4.564 1.00 0.00 C ATOM 0 H PHE A 31 3.447 3.874 0.446 1.00 0.00 H new ATOM 0 HA PHE A 31 1.024 3.437 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.230 2.033 3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.082 1.927 1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.271 3.720 5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.367 2.086 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.403 4.138 6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.498 2.477 2.836 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.520 3.513 5.068 1.00 0.00 H new ATOM 443 N THR A 32 3.011 5.725 3.057 1.00 0.00 N ATOM 444 CA THR A 32 3.178 6.671 4.131 1.00 0.00 C ATOM 445 C THR A 32 2.448 7.987 3.871 1.00 0.00 C ATOM 446 O THR A 32 2.122 8.717 4.805 1.00 0.00 O ATOM 447 CB THR A 32 4.676 6.862 4.418 1.00 0.00 C ATOM 448 OG1 THR A 32 4.868 7.483 5.699 1.00 0.00 O ATOM 449 CG2 THR A 32 5.364 7.685 3.335 1.00 0.00 C ATOM 0 H THR A 32 3.743 5.750 2.347 1.00 0.00 H new ATOM 0 HA THR A 32 2.710 6.266 5.028 1.00 0.00 H new ATOM 0 HB THR A 32 5.131 5.872 4.424 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.827 7.596 5.867 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.421 7.795 3.578 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.263 7.179 2.375 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.900 8.670 3.277 1.00 0.00 H new ATOM 457 N LYS A 33 2.165 8.272 2.611 1.00 0.00 N ATOM 458 CA LYS A 33 1.423 9.471 2.253 1.00 0.00 C ATOM 459 C LYS A 33 -0.049 9.306 2.592 1.00 0.00 C ATOM 460 O LYS A 33 -0.655 10.170 3.226 1.00 0.00 O ATOM 461 CB LYS A 33 1.590 9.746 0.767 1.00 0.00 C ATOM 462 CG LYS A 33 0.900 11.007 0.274 1.00 0.00 C ATOM 463 CD LYS A 33 1.049 11.157 -1.231 1.00 0.00 C ATOM 464 CE LYS A 33 2.497 11.394 -1.640 1.00 0.00 C ATOM 465 NZ LYS A 33 3.017 12.696 -1.139 1.00 0.00 N ATOM 0 H LYS A 33 2.437 7.690 1.819 1.00 0.00 H new ATOM 0 HA LYS A 33 1.814 10.314 2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.654 9.819 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.203 8.894 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.157 10.974 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.325 11.877 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.675 10.259 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.434 11.989 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.118 10.585 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.575 11.368 -2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.931 12.902 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.340 13.452 -1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.144 12.646 -0.108 1.00 0.00 H new ATOM 479 N VAL A 34 -0.614 8.180 2.178 1.00 0.00 N ATOM 480 CA VAL A 34 -2.009 7.894 2.405 1.00 0.00 C ATOM 481 C VAL A 34 -2.241 7.427 3.841 1.00 0.00 C ATOM 482 O VAL A 34 -3.377 7.218 4.270 1.00 0.00 O ATOM 483 CB VAL A 34 -2.491 6.820 1.414 1.00 0.00 C ATOM 484 CG1 VAL A 34 -2.046 7.161 0.001 1.00 0.00 C ATOM 485 CG2 VAL A 34 -2.001 5.435 1.813 1.00 0.00 C ATOM 0 H VAL A 34 -0.113 7.446 1.677 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.580 8.809 2.248 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.581 6.805 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.396 6.391 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.465 8.124 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.958 7.213 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.359 4.700 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.911 5.425 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.381 5.186 2.804 1.00 0.00 H new ATOM 495 N GLY A 35 -1.145 7.267 4.573 1.00 0.00 N ATOM 496 CA GLY A 35 -1.223 6.858 5.957 1.00 0.00 C ATOM 497 C GLY A 35 -1.642 5.412 6.106 1.00 0.00 C ATOM 498 O GLY A 35 -2.341 5.060 7.052 1.00 0.00 O ATOM 0 H GLY A 35 -0.197 7.415 4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.253 7.003 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.934 7.496 6.482 1.00 0.00 H new ATOM 502 N LEU A 36 -1.214 4.571 5.172 1.00 0.00 N ATOM 503 CA LEU A 36 -1.603 3.170 5.180 1.00 0.00 C ATOM 504 C LEU A 36 -0.811 2.396 6.227 1.00 0.00 C ATOM 505 O LEU A 36 -1.298 1.418 6.787 1.00 0.00 O ATOM 506 CB LEU A 36 -1.396 2.538 3.803 1.00 0.00 C ATOM 507 CG LEU A 36 -1.999 1.143 3.645 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.515 1.214 3.598 1.00 0.00 C ATOM 509 CD2 LEU A 36 -1.462 0.466 2.402 1.00 0.00 C ATOM 0 H LEU A 36 -0.599 4.836 4.402 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.662 3.121 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.829 3.194 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.326 2.482 3.601 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.710 0.549 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.923 0.210 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.887 1.655 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.824 1.828 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.904 -0.526 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.716 1.061 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.378 0.375 2.477 1.00 0.00 H new ATOM 521 N ALA A 37 0.405 2.849 6.496 1.00 0.00 N ATOM 522 CA ALA A 37 1.253 2.205 7.494 1.00 0.00 C ATOM 523 C ALA A 37 0.697 2.442 8.896 1.00 0.00 C ATOM 524 O ALA A 37 0.986 1.691 9.829 1.00 0.00 O ATOM 525 CB ALA A 37 2.684 2.714 7.383 1.00 0.00 C ATOM 0 H ALA A 37 0.827 3.658 6.040 1.00 0.00 H new ATOM 0 HA ALA A 37 1.259 1.131 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.304 2.224 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.073 2.491 6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.701 3.792 7.546 1.00 0.00 H new ATOM 531 N ALA A 38 -0.114 3.485 9.028 1.00 0.00 N ATOM 532 CA ALA A 38 -0.762 3.805 10.291 1.00 0.00 C ATOM 533 C ALA A 38 -2.211 3.327 10.287 1.00 0.00 C ATOM 534 O ALA A 38 -3.056 3.857 11.009 1.00 0.00 O ATOM 535 CB ALA A 38 -0.699 5.303 10.550 1.00 0.00 C ATOM 0 H ALA A 38 -0.339 4.127 8.268 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.233 3.289 11.092 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.187 5.529 11.498 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.343 5.621 10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.207 5.833 9.745 1.00 0.00 H new ATOM 541 N LYS A 39 -2.500 2.336 9.457 1.00 0.00 N ATOM 542 CA LYS A 39 -3.845 1.792 9.361 1.00 0.00 C ATOM 543 C LYS A 39 -3.989 0.540 10.210 1.00 0.00 C ATOM 544 O LYS A 39 -3.025 -0.199 10.424 1.00 0.00 O ATOM 545 CB LYS A 39 -4.201 1.483 7.907 1.00 0.00 C ATOM 546 CG LYS A 39 -4.473 2.722 7.071 1.00 0.00 C ATOM 547 CD LYS A 39 -5.735 3.441 7.522 1.00 0.00 C ATOM 548 CE LYS A 39 -6.007 4.675 6.676 1.00 0.00 C ATOM 549 NZ LYS A 39 -5.018 5.757 6.924 1.00 0.00 N ATOM 0 H LYS A 39 -1.820 1.892 8.840 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.536 2.546 9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.385 0.921 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.081 0.840 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.623 3.401 7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.570 2.439 6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.585 2.761 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.636 3.731 8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.986 4.402 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.009 5.046 6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.192 6.544 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.113 6.096 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.057 5.389 6.777 1.00 0.00 H new ATOM 563 N SER A 40 -5.201 0.321 10.690 1.00 0.00 N ATOM 564 CA SER A 40 -5.517 -0.831 11.512 1.00 0.00 C ATOM 565 C SER A 40 -5.729 -2.054 10.615 1.00 0.00 C ATOM 566 O SER A 40 -6.113 -1.899 9.455 1.00 0.00 O ATOM 567 CB SER A 40 -6.780 -0.527 12.331 1.00 0.00 C ATOM 568 OG SER A 40 -6.970 -1.459 13.381 1.00 0.00 O ATOM 0 H SER A 40 -5.994 0.939 10.520 1.00 0.00 H new ATOM 0 HA SER A 40 -4.696 -1.045 12.196 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.709 0.478 12.747 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.650 -0.539 11.674 1.00 0.00 H new ATOM 0 HG SER A 40 -7.782 -1.230 13.879 1.00 0.00 H new ATOM 574 N PRO A 41 -5.450 -3.273 11.127 1.00 0.00 N ATOM 575 CA PRO A 41 -5.578 -4.523 10.365 1.00 0.00 C ATOM 576 C PRO A 41 -6.795 -4.574 9.439 1.00 0.00 C ATOM 577 O PRO A 41 -6.655 -4.874 8.257 1.00 0.00 O ATOM 578 CB PRO A 41 -5.704 -5.567 11.468 1.00 0.00 C ATOM 579 CG PRO A 41 -4.849 -5.037 12.565 1.00 0.00 C ATOM 580 CD PRO A 41 -4.956 -3.533 12.496 1.00 0.00 C ATOM 0 HA PRO A 41 -4.736 -4.664 9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.739 -5.685 11.790 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.361 -6.546 11.132 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.186 -5.407 13.534 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.815 -5.359 12.442 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.643 -3.147 13.249 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.992 -3.056 12.670 1.00 0.00 H new ATOM 588 N ALA A 42 -7.975 -4.260 9.971 1.00 0.00 N ATOM 589 CA ALA A 42 -9.218 -4.322 9.198 1.00 0.00 C ATOM 590 C ALA A 42 -9.160 -3.441 7.951 1.00 0.00 C ATOM 591 O ALA A 42 -9.623 -3.836 6.877 1.00 0.00 O ATOM 592 CB ALA A 42 -10.398 -3.920 10.069 1.00 0.00 C ATOM 0 H ALA A 42 -8.098 -3.959 10.938 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.347 -5.352 8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.316 -3.970 9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.472 -4.600 10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.253 -2.902 10.431 1.00 0.00 H new ATOM 598 N ASP A 43 -8.573 -2.258 8.092 1.00 0.00 N ATOM 599 CA ASP A 43 -8.473 -1.315 6.985 1.00 0.00 C ATOM 600 C ASP A 43 -7.573 -1.889 5.909 1.00 0.00 C ATOM 601 O ASP A 43 -7.932 -1.936 4.735 1.00 0.00 O ATOM 602 CB ASP A 43 -7.903 0.028 7.458 1.00 0.00 C ATOM 603 CG ASP A 43 -8.712 0.660 8.571 1.00 0.00 C ATOM 604 OD1 ASP A 43 -9.798 1.202 8.295 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.256 0.629 9.733 1.00 0.00 O ATOM 0 H ASP A 43 -8.158 -1.929 8.964 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.473 -1.148 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.879 -0.120 7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.860 0.715 6.613 1.00 0.00 H new ATOM 610 N ILE A 44 -6.410 -2.353 6.331 1.00 0.00 N ATOM 611 CA ILE A 44 -5.438 -2.938 5.424 1.00 0.00 C ATOM 612 C ILE A 44 -5.949 -4.267 4.842 1.00 0.00 C ATOM 613 O ILE A 44 -5.591 -4.641 3.725 1.00 0.00 O ATOM 614 CB ILE A 44 -4.071 -3.099 6.141 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.264 -1.800 6.019 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.274 -4.270 5.593 1.00 0.00 C ATOM 617 CD1 ILE A 44 -1.976 -1.791 6.812 1.00 0.00 C ATOM 0 H ILE A 44 -6.114 -2.335 7.307 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.294 -2.264 4.579 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.269 -3.308 7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.031 -1.628 4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.886 -0.967 6.348 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.325 -4.345 6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.840 -5.191 5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.084 -4.116 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.468 -0.837 6.670 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.199 -1.929 7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.331 -2.600 6.468 1.00 0.00 H new ATOM 629 N LYS A 45 -6.822 -4.951 5.580 1.00 0.00 N ATOM 630 CA LYS A 45 -7.438 -6.187 5.099 1.00 0.00 C ATOM 631 C LYS A 45 -8.265 -5.939 3.840 1.00 0.00 C ATOM 632 O LYS A 45 -8.166 -6.685 2.862 1.00 0.00 O ATOM 633 CB LYS A 45 -8.318 -6.824 6.182 1.00 0.00 C ATOM 634 CG LYS A 45 -7.550 -7.678 7.183 1.00 0.00 C ATOM 635 CD LYS A 45 -7.010 -8.943 6.532 1.00 0.00 C ATOM 636 CE LYS A 45 -6.161 -9.759 7.492 1.00 0.00 C ATOM 637 NZ LYS A 45 -6.935 -10.228 8.670 1.00 0.00 N ATOM 0 H LYS A 45 -7.119 -4.670 6.514 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.630 -6.877 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.842 -6.034 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.078 -7.441 5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.725 -7.100 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.204 -7.945 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.842 -9.551 6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.415 -8.676 5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.747 -10.619 6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.318 -9.156 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.349 -10.876 9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.208 -9.411 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.790 -10.725 8.348 1.00 0.00 H new ATOM 651 N LYS A 46 -9.074 -4.889 3.846 1.00 0.00 N ATOM 652 CA LYS A 46 -9.879 -4.587 2.673 1.00 0.00 C ATOM 653 C LYS A 46 -8.993 -4.036 1.559 1.00 0.00 C ATOM 654 O LYS A 46 -9.310 -4.156 0.375 1.00 0.00 O ATOM 655 CB LYS A 46 -11.051 -3.646 3.015 1.00 0.00 C ATOM 656 CG LYS A 46 -10.675 -2.253 3.522 1.00 0.00 C ATOM 657 CD LYS A 46 -10.289 -1.295 2.396 1.00 0.00 C ATOM 658 CE LYS A 46 -11.344 -1.232 1.294 1.00 0.00 C ATOM 659 NZ LYS A 46 -12.693 -0.882 1.813 1.00 0.00 N ATOM 0 H LYS A 46 -9.189 -4.246 4.630 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.331 -5.511 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.669 -3.531 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.669 -4.130 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.515 -1.835 4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.843 -2.338 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.139 -0.297 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.338 -1.609 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.043 -0.495 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.393 -2.196 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.340 -0.720 1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.053 -1.663 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.630 -0.018 2.389 1.00 0.00 H new ATOM 673 N VAL A 47 -7.860 -3.458 1.941 1.00 0.00 N ATOM 674 CA VAL A 47 -6.882 -3.016 0.964 1.00 0.00 C ATOM 675 C VAL A 47 -6.263 -4.228 0.267 1.00 0.00 C ATOM 676 O VAL A 47 -5.953 -4.182 -0.926 1.00 0.00 O ATOM 677 CB VAL A 47 -5.784 -2.134 1.596 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.798 -1.666 0.541 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.403 -0.939 2.300 1.00 0.00 C ATOM 0 H VAL A 47 -7.601 -3.287 2.913 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.400 -2.400 0.229 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.246 -2.734 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.033 -1.046 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.328 -2.531 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.324 -1.084 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.615 -0.328 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.965 -0.344 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.074 -1.287 3.086 1.00 0.00 H new ATOM 689 N PHE A 48 -6.121 -5.321 1.015 1.00 0.00 N ATOM 690 CA PHE A 48 -5.698 -6.596 0.443 1.00 0.00 C ATOM 691 C PHE A 48 -6.649 -7.012 -0.668 1.00 0.00 C ATOM 692 O PHE A 48 -6.234 -7.529 -1.707 1.00 0.00 O ATOM 693 CB PHE A 48 -5.669 -7.697 1.500 1.00 0.00 C ATOM 694 CG PHE A 48 -4.629 -7.534 2.572 1.00 0.00 C ATOM 695 CD1 PHE A 48 -3.446 -6.854 2.337 1.00 0.00 C ATOM 696 CD2 PHE A 48 -4.832 -8.100 3.817 1.00 0.00 C ATOM 697 CE1 PHE A 48 -2.491 -6.740 3.331 1.00 0.00 C ATOM 698 CE2 PHE A 48 -3.883 -7.988 4.813 1.00 0.00 C ATOM 699 CZ PHE A 48 -2.712 -7.308 4.570 1.00 0.00 C ATOM 0 H PHE A 48 -6.293 -5.348 2.020 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.692 -6.460 0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.649 -7.749 1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.505 -8.652 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.267 -6.409 1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.748 -8.638 4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.572 -6.206 3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.059 -8.433 5.781 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.967 -7.219 5.347 1.00 0.00 H new ATOM 709 N GLU A 49 -7.929 -6.781 -0.432 1.00 0.00 N ATOM 710 CA GLU A 49 -8.956 -7.070 -1.424 1.00 0.00 C ATOM 711 C GLU A 49 -8.815 -6.156 -2.640 1.00 0.00 C ATOM 712 O GLU A 49 -9.271 -6.491 -3.730 1.00 0.00 O ATOM 713 CB GLU A 49 -10.341 -6.897 -0.802 1.00 0.00 C ATOM 714 CG GLU A 49 -10.572 -7.775 0.416 1.00 0.00 C ATOM 715 CD GLU A 49 -10.694 -9.241 0.064 1.00 0.00 C ATOM 716 OE1 GLU A 49 -9.656 -9.903 -0.142 1.00 0.00 O ATOM 717 OE2 GLU A 49 -11.836 -9.738 -0.006 1.00 0.00 O ATOM 0 H GLU A 49 -8.285 -6.392 0.441 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.832 -8.101 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.475 -5.853 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.098 -7.124 -1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.748 -7.641 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.480 -7.451 0.925 1.00 0.00 H new ATOM 724 N ILE A 50 -8.196 -4.995 -2.447 1.00 0.00 N ATOM 725 CA ILE A 50 -8.009 -4.049 -3.542 1.00 0.00 C ATOM 726 C ILE A 50 -6.976 -4.541 -4.566 1.00 0.00 C ATOM 727 O ILE A 50 -7.229 -4.452 -5.769 1.00 0.00 O ATOM 728 CB ILE A 50 -7.608 -2.648 -3.044 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.574 -2.171 -1.963 1.00 0.00 C ATOM 730 CG2 ILE A 50 -7.613 -1.663 -4.203 1.00 0.00 C ATOM 731 CD1 ILE A 50 -8.167 -0.856 -1.338 1.00 0.00 C ATOM 0 H ILE A 50 -7.818 -4.688 -1.551 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.980 -3.978 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.605 -2.704 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.570 -2.068 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.641 -2.931 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.328 -0.675 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.903 -1.991 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.612 -1.617 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.895 -0.574 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.184 -0.961 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.127 -0.085 -2.107 1.00 0.00 H new ATOM 743 N ILE A 51 -5.818 -5.062 -4.113 1.00 0.00 N ATOM 744 CA ILE A 51 -4.830 -5.609 -5.061 1.00 0.00 C ATOM 745 C ILE A 51 -5.425 -6.814 -5.761 1.00 0.00 C ATOM 746 O ILE A 51 -5.045 -7.155 -6.883 1.00 0.00 O ATOM 747 CB ILE A 51 -3.445 -5.993 -4.438 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.600 -6.612 -3.036 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.538 -4.770 -4.389 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.499 -5.600 -1.911 1.00 0.00 C ATOM 0 H ILE A 51 -5.550 -5.115 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.614 -4.801 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.989 -6.750 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.565 -7.116 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.833 -7.374 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.577 -5.047 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.384 -4.391 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.003 -3.996 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.618 -6.107 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.524 -5.113 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.283 -4.851 -2.024 1.00 0.00 H new ATOM 762 N ASP A 52 -6.389 -7.445 -5.103 1.00 0.00 N ATOM 763 CA ASP A 52 -7.139 -8.522 -5.713 1.00 0.00 C ATOM 764 C ASP A 52 -8.316 -7.941 -6.480 1.00 0.00 C ATOM 765 O ASP A 52 -9.471 -8.202 -6.151 1.00 0.00 O ATOM 766 CB ASP A 52 -7.645 -9.513 -4.664 1.00 0.00 C ATOM 767 CG ASP A 52 -7.872 -10.902 -5.231 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.491 -11.169 -6.406 1.00 0.00 O ATOM 769 OD2 ASP A 52 -8.438 -11.744 -4.515 1.00 0.00 O ATOM 0 H ASP A 52 -6.666 -7.225 -4.146 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.478 -9.061 -6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.924 -9.571 -3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.578 -9.142 -4.239 1.00 0.00 H new ATOM 774 N GLN A 53 -8.001 -7.145 -7.496 1.00 0.00 N ATOM 775 CA GLN A 53 -9.001 -6.476 -8.326 1.00 0.00 C ATOM 776 C GLN A 53 -10.042 -7.485 -8.800 1.00 0.00 C ATOM 777 O GLN A 53 -11.249 -7.276 -8.681 1.00 0.00 O ATOM 778 CB GLN A 53 -8.280 -5.840 -9.523 1.00 0.00 C ATOM 779 CG GLN A 53 -9.069 -4.792 -10.297 1.00 0.00 C ATOM 780 CD GLN A 53 -10.209 -5.358 -11.125 1.00 0.00 C ATOM 781 OE1 GLN A 53 -11.353 -5.404 -10.679 1.00 0.00 O ATOM 782 NE2 GLN A 53 -9.903 -5.815 -12.329 1.00 0.00 N ATOM 0 H GLN A 53 -7.039 -6.943 -7.770 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.517 -5.705 -7.754 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.358 -5.381 -9.165 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.994 -6.634 -10.213 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.472 -4.064 -9.593 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.388 -4.254 -10.956 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.942 -5.760 -12.666 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.628 -6.222 -12.920 1.00 0.00 H new ATOM 791 N ASP A 54 -9.540 -8.599 -9.287 1.00 0.00 N ATOM 792 CA ASP A 54 -10.364 -9.668 -9.838 1.00 0.00 C ATOM 793 C ASP A 54 -11.002 -10.516 -8.732 1.00 0.00 C ATOM 794 O ASP A 54 -11.951 -11.260 -8.980 1.00 0.00 O ATOM 795 CB ASP A 54 -9.494 -10.534 -10.759 1.00 0.00 C ATOM 796 CG ASP A 54 -10.159 -11.815 -11.199 1.00 0.00 C ATOM 797 OD1 ASP A 54 -10.944 -11.779 -12.170 1.00 0.00 O ATOM 798 OD2 ASP A 54 -9.875 -12.870 -10.594 1.00 0.00 O ATOM 0 H ASP A 54 -8.540 -8.796 -9.315 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.182 -9.229 -10.409 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.226 -9.953 -11.642 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.565 -10.777 -10.243 1.00 0.00 H new ATOM 803 N LYS A 55 -10.489 -10.373 -7.507 1.00 0.00 N ATOM 804 CA LYS A 55 -10.972 -11.144 -6.359 1.00 0.00 C ATOM 805 C LYS A 55 -10.814 -12.642 -6.600 1.00 0.00 C ATOM 806 O LYS A 55 -11.784 -13.395 -6.681 1.00 0.00 O ATOM 807 CB LYS A 55 -12.417 -10.779 -6.028 1.00 0.00 C ATOM 808 CG LYS A 55 -12.568 -9.415 -5.367 1.00 0.00 C ATOM 809 CD LYS A 55 -11.823 -9.338 -4.041 1.00 0.00 C ATOM 810 CE LYS A 55 -12.384 -10.312 -3.016 1.00 0.00 C ATOM 811 NZ LYS A 55 -13.797 -10.004 -2.670 1.00 0.00 N ATOM 0 H LYS A 55 -9.733 -9.725 -7.284 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.360 -10.886 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.006 -10.796 -6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.833 -11.541 -5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.193 -8.643 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.625 -9.207 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.767 -9.553 -4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.885 -8.323 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.320 -11.327 -3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.774 -10.279 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.082 -10.565 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.888 -8.992 -2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.411 -10.239 -3.476 1.00 0.00 H new ATOM 825 N SER A 56 -9.565 -13.051 -6.710 1.00 0.00 N ATOM 826 CA SER A 56 -9.210 -14.412 -7.072 1.00 0.00 C ATOM 827 C SER A 56 -8.583 -15.140 -5.885 1.00 0.00 C ATOM 828 O SER A 56 -8.126 -16.274 -6.017 1.00 0.00 O ATOM 829 CB SER A 56 -8.209 -14.359 -8.228 1.00 0.00 C ATOM 830 OG SER A 56 -8.058 -13.018 -8.704 1.00 0.00 O ATOM 0 H SER A 56 -8.761 -12.444 -6.550 1.00 0.00 H new ATOM 0 HA SER A 56 -10.108 -14.954 -7.369 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.244 -14.744 -7.898 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.549 -15.002 -9.040 1.00 0.00 H new ATOM 0 HG SER A 56 -8.899 -12.717 -9.107 1.00 0.00 H new ATOM 836 N ASP A 57 -8.546 -14.449 -4.739 1.00 0.00 N ATOM 837 CA ASP A 57 -7.826 -14.897 -3.535 1.00 0.00 C ATOM 838 C ASP A 57 -6.323 -14.759 -3.750 1.00 0.00 C ATOM 839 O ASP A 57 -5.517 -15.010 -2.856 1.00 0.00 O ATOM 840 CB ASP A 57 -8.184 -16.337 -3.139 1.00 0.00 C ATOM 841 CG ASP A 57 -9.611 -16.469 -2.650 1.00 0.00 C ATOM 842 OD1 ASP A 57 -9.911 -15.985 -1.536 1.00 0.00 O ATOM 843 OD2 ASP A 57 -10.447 -17.045 -3.377 1.00 0.00 O ATOM 0 H ASP A 57 -9.019 -13.554 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.137 -14.257 -2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.036 -16.993 -3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.503 -16.675 -2.358 1.00 0.00 H new ATOM 848 N PHE A 58 -5.975 -14.329 -4.950 1.00 0.00 N ATOM 849 CA PHE A 58 -4.607 -14.044 -5.338 1.00 0.00 C ATOM 850 C PHE A 58 -4.623 -12.866 -6.285 1.00 0.00 C ATOM 851 O PHE A 58 -5.529 -12.745 -7.124 1.00 0.00 O ATOM 852 CB PHE A 58 -3.954 -15.251 -6.023 1.00 0.00 C ATOM 853 CG PHE A 58 -3.724 -16.429 -5.118 1.00 0.00 C ATOM 854 CD1 PHE A 58 -2.602 -16.487 -4.309 1.00 0.00 C ATOM 855 CD2 PHE A 58 -4.627 -17.481 -5.082 1.00 0.00 C ATOM 856 CE1 PHE A 58 -2.385 -17.571 -3.479 1.00 0.00 C ATOM 857 CE2 PHE A 58 -4.416 -18.566 -4.254 1.00 0.00 C ATOM 858 CZ PHE A 58 -3.293 -18.611 -3.452 1.00 0.00 C ATOM 0 H PHE A 58 -6.650 -14.165 -5.697 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.022 -13.818 -4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.583 -15.565 -6.856 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.998 -14.941 -6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.888 -15.676 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.506 -17.451 -5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.506 -17.604 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.128 -19.378 -4.234 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.125 -19.459 -2.804 1.00 0.00 H new ATOM 868 N VAL A 59 -3.660 -11.981 -6.142 1.00 0.00 N ATOM 869 CA VAL A 59 -3.593 -10.817 -6.996 1.00 0.00 C ATOM 870 C VAL A 59 -2.580 -11.060 -8.105 1.00 0.00 C ATOM 871 O VAL A 59 -1.471 -11.494 -7.850 1.00 0.00 O ATOM 872 CB VAL A 59 -3.260 -9.530 -6.194 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.719 -9.664 -4.751 1.00 0.00 C ATOM 874 CG2 VAL A 59 -1.803 -9.152 -6.262 1.00 0.00 C ATOM 0 H VAL A 59 -2.917 -12.045 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.575 -10.657 -7.442 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.810 -8.717 -6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.476 -8.752 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.797 -9.826 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.214 -10.510 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.635 -8.245 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.198 -9.961 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.521 -8.976 -7.300 1.00 0.00 H new ATOM 884 N GLU A 60 -3.009 -10.872 -9.333 1.00 0.00 N ATOM 885 CA GLU A 60 -2.118 -10.985 -10.479 1.00 0.00 C ATOM 886 C GLU A 60 -1.515 -9.627 -10.826 1.00 0.00 C ATOM 887 O GLU A 60 -1.910 -8.609 -10.258 1.00 0.00 O ATOM 888 CB GLU A 60 -2.875 -11.549 -11.681 1.00 0.00 C ATOM 889 CG GLU A 60 -3.358 -12.973 -11.475 1.00 0.00 C ATOM 890 CD GLU A 60 -2.222 -13.976 -11.470 1.00 0.00 C ATOM 891 OE1 GLU A 60 -1.657 -14.246 -10.392 1.00 0.00 O ATOM 892 OE2 GLU A 60 -1.882 -14.497 -12.551 1.00 0.00 O ATOM 0 H GLU A 60 -3.973 -10.639 -9.570 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.307 -11.666 -10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.732 -10.910 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.227 -11.516 -12.557 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.899 -13.037 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.063 -13.232 -12.265 1.00 0.00 H new ATOM 899 N GLU A 61 -0.571 -9.607 -11.755 1.00 0.00 N ATOM 900 CA GLU A 61 0.038 -8.355 -12.191 1.00 0.00 C ATOM 901 C GLU A 61 -1.002 -7.459 -12.858 1.00 0.00 C ATOM 902 O GLU A 61 -1.066 -6.260 -12.585 1.00 0.00 O ATOM 903 CB GLU A 61 1.186 -8.634 -13.160 1.00 0.00 C ATOM 904 CG GLU A 61 1.884 -7.386 -13.673 1.00 0.00 C ATOM 905 CD GLU A 61 2.839 -7.690 -14.808 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.363 -7.895 -15.944 1.00 0.00 O ATOM 907 OE2 GLU A 61 4.066 -7.730 -14.572 1.00 0.00 O ATOM 0 H GLU A 61 -0.210 -10.439 -12.221 1.00 0.00 H new ATOM 0 HA GLU A 61 0.432 -7.840 -11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.920 -9.269 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.801 -9.197 -14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.137 -6.667 -14.011 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.431 -6.916 -12.856 1.00 0.00 H new ATOM 914 N ASP A 62 -1.827 -8.048 -13.720 1.00 0.00 N ATOM 915 CA ASP A 62 -2.870 -7.290 -14.406 1.00 0.00 C ATOM 916 C ASP A 62 -3.897 -6.796 -13.404 1.00 0.00 C ATOM 917 O ASP A 62 -4.548 -5.770 -13.608 1.00 0.00 O ATOM 918 CB ASP A 62 -3.556 -8.134 -15.478 1.00 0.00 C ATOM 919 CG ASP A 62 -4.384 -7.291 -16.424 1.00 0.00 C ATOM 920 OD1 ASP A 62 -3.791 -6.530 -17.218 1.00 0.00 O ATOM 921 OD2 ASP A 62 -5.629 -7.379 -16.378 1.00 0.00 O ATOM 0 H ASP A 62 -1.795 -9.039 -13.959 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.399 -6.437 -14.895 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.803 -8.681 -16.045 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.196 -8.876 -15.000 1.00 0.00 H new ATOM 926 N GLU A 63 -4.035 -7.534 -12.310 1.00 0.00 N ATOM 927 CA GLU A 63 -4.885 -7.109 -11.216 1.00 0.00 C ATOM 928 C GLU A 63 -4.321 -5.865 -10.567 1.00 0.00 C ATOM 929 O GLU A 63 -5.067 -4.979 -10.187 1.00 0.00 O ATOM 930 CB GLU A 63 -5.050 -8.213 -10.176 1.00 0.00 C ATOM 931 CG GLU A 63 -6.052 -9.272 -10.588 1.00 0.00 C ATOM 932 CD GLU A 63 -6.367 -10.240 -9.475 1.00 0.00 C ATOM 933 OE1 GLU A 63 -7.289 -10.001 -8.693 1.00 0.00 O ATOM 934 OE2 GLU A 63 -5.716 -11.278 -9.346 1.00 0.00 O ATOM 0 H GLU A 63 -3.568 -8.428 -12.161 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.869 -6.884 -11.627 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.083 -8.685 -9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.366 -7.770 -9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.973 -8.788 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.661 -9.823 -11.443 1.00 0.00 H new ATOM 941 N LEU A 64 -3.001 -5.793 -10.463 1.00 0.00 N ATOM 942 CA LEU A 64 -2.357 -4.628 -9.884 1.00 0.00 C ATOM 943 C LEU A 64 -2.474 -3.428 -10.812 1.00 0.00 C ATOM 944 O LEU A 64 -2.449 -2.283 -10.372 1.00 0.00 O ATOM 945 CB LEU A 64 -0.903 -4.890 -9.574 1.00 0.00 C ATOM 946 CG LEU A 64 -0.464 -4.250 -8.270 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.595 -5.232 -7.125 1.00 0.00 C ATOM 948 CD2 LEU A 64 0.936 -3.719 -8.385 1.00 0.00 C ATOM 0 H LEU A 64 -2.360 -6.525 -10.771 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.872 -4.410 -8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.734 -5.966 -9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.287 -4.509 -10.388 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.120 -3.405 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.276 -4.755 -6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.635 -5.546 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.031 -6.103 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.231 -3.264 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.617 -4.536 -8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.977 -2.970 -9.176 1.00 0.00 H new ATOM 960 N LYS A 65 -2.596 -3.697 -12.100 1.00 0.00 N ATOM 961 CA LYS A 65 -2.798 -2.639 -13.078 1.00 0.00 C ATOM 962 C LYS A 65 -4.111 -1.923 -12.820 1.00 0.00 C ATOM 963 O LYS A 65 -4.197 -0.702 -12.887 1.00 0.00 O ATOM 964 CB LYS A 65 -2.796 -3.214 -14.503 1.00 0.00 C ATOM 965 CG LYS A 65 -1.468 -3.082 -15.236 1.00 0.00 C ATOM 966 CD LYS A 65 -0.324 -3.680 -14.436 1.00 0.00 C ATOM 967 CE LYS A 65 0.984 -3.663 -15.214 1.00 0.00 C ATOM 968 NZ LYS A 65 0.926 -4.512 -16.432 1.00 0.00 N ATOM 0 H LYS A 65 -2.559 -4.637 -12.494 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.978 -1.927 -12.982 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.067 -4.269 -14.456 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.569 -2.712 -15.085 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.535 -3.580 -16.203 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.264 -2.030 -15.433 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.201 -3.123 -13.507 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.570 -4.706 -14.162 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.221 -2.638 -15.499 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.792 -4.010 -14.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.888 -4.662 -16.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.499 -5.430 -16.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.350 -4.039 -17.158 1.00 0.00 H new ATOM 982 N LEU A 66 -5.142 -2.695 -12.550 1.00 0.00 N ATOM 983 CA LEU A 66 -6.470 -2.141 -12.386 1.00 0.00 C ATOM 984 C LEU A 66 -6.883 -2.059 -10.920 1.00 0.00 C ATOM 985 O LEU A 66 -7.971 -1.574 -10.596 1.00 0.00 O ATOM 986 CB LEU A 66 -7.438 -2.959 -13.226 1.00 0.00 C ATOM 987 CG LEU A 66 -6.968 -3.107 -14.673 1.00 0.00 C ATOM 988 CD1 LEU A 66 -7.968 -3.881 -15.509 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.686 -1.735 -15.274 1.00 0.00 C ATOM 0 H LEU A 66 -5.087 -3.707 -12.439 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.481 -1.109 -12.738 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.556 -3.947 -12.782 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.419 -2.484 -13.212 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.042 -3.683 -14.674 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.599 -3.966 -16.531 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.101 -4.877 -15.087 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.924 -3.357 -15.510 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.352 -1.851 -16.305 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.595 -1.135 -15.253 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.909 -1.237 -14.695 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.999 -2.501 -10.030 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.270 -2.443 -8.597 1.00 0.00 C ATOM 1003 C PHE A 67 -6.341 -0.986 -8.170 1.00 0.00 C ATOM 1004 O PHE A 67 -6.993 -0.635 -7.196 1.00 0.00 O ATOM 1005 CB PHE A 67 -5.199 -3.205 -7.793 1.00 0.00 C ATOM 1006 CG PHE A 67 -4.232 -2.349 -7.005 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -3.119 -1.791 -7.609 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -4.433 -2.118 -5.652 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -2.229 -1.020 -6.886 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -3.548 -1.346 -4.924 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.445 -0.796 -5.542 1.00 0.00 C ATOM 0 H PHE A 67 -5.093 -2.901 -10.274 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.224 -2.928 -8.392 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.703 -3.880 -7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.627 -3.825 -8.483 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.943 -1.961 -8.661 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.293 -2.548 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.365 -0.593 -7.373 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.720 -1.174 -3.872 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.752 -0.192 -4.976 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.667 -0.145 -8.937 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.645 1.286 -8.696 1.00 0.00 C ATOM 1023 C LEU A 68 -7.022 1.883 -8.940 1.00 0.00 C ATOM 1024 O LEU A 68 -7.509 2.702 -8.158 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.625 1.933 -9.627 1.00 0.00 C ATOM 1026 CG LEU A 68 -3.281 1.214 -9.697 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.776 1.184 -11.128 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.266 1.889 -8.788 1.00 0.00 C ATOM 0 H LEU A 68 -5.119 -0.437 -9.746 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.366 1.473 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.048 1.982 -10.630 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.456 2.960 -9.302 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.418 0.188 -9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.816 0.668 -11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.495 0.658 -11.757 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.654 2.204 -11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.314 1.362 -8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.129 2.924 -9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.626 1.865 -7.759 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.652 1.445 -10.021 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.996 1.887 -10.364 1.00 0.00 C ATOM 1042 C GLN A 69 -9.999 1.264 -9.402 1.00 0.00 C ATOM 1043 O GLN A 69 -11.149 1.691 -9.305 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.320 1.495 -11.806 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.341 2.067 -12.819 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.633 1.622 -14.236 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.779 1.357 -14.596 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -7.596 1.541 -15.051 1.00 0.00 N ATOM 0 H GLN A 69 -7.250 0.779 -10.680 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.055 2.972 -10.279 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.323 0.408 -11.888 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.326 1.836 -12.051 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.372 3.156 -12.772 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.329 1.765 -12.550 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.662 1.770 -14.712 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.730 1.250 -16.019 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.540 0.248 -8.685 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.346 -0.403 -7.665 1.00 0.00 C ATOM 1059 C ASN A 70 -10.173 0.333 -6.337 1.00 0.00 C ATOM 1060 O ASN A 70 -11.069 0.357 -5.495 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.926 -1.874 -7.534 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.763 -2.660 -6.542 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.933 -2.358 -6.309 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -10.166 -3.688 -5.957 1.00 0.00 N ATOM 0 H ASN A 70 -8.605 -0.145 -8.793 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.398 -0.371 -7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.994 -2.351 -8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.880 -1.919 -7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.678 -4.261 -5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.194 -3.906 -6.177 1.00 0.00 H new ATOM 1071 N PHE A 71 -9.019 0.972 -6.192 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.666 1.690 -4.974 1.00 0.00 C ATOM 1073 C PHE A 71 -9.379 3.040 -4.921 1.00 0.00 C ATOM 1074 O PHE A 71 -9.949 3.410 -3.896 1.00 0.00 O ATOM 1075 CB PHE A 71 -7.146 1.905 -4.930 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.572 2.050 -3.545 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -6.975 3.077 -2.706 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.618 1.155 -3.088 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -6.437 3.205 -1.439 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -5.077 1.280 -1.823 1.00 0.00 C ATOM 1081 CZ PHE A 71 -5.489 2.306 -0.997 1.00 0.00 C ATOM 0 H PHE A 71 -8.301 1.007 -6.916 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.979 1.098 -4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.659 1.064 -5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.902 2.798 -5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.717 3.785 -3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.293 0.349 -3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.759 4.010 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.333 0.576 -1.481 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.070 2.405 -0.007 1.00 0.00 H new ATOM 1091 N SER A 72 -9.348 3.762 -6.033 1.00 0.00 N ATOM 1092 CA SER A 72 -9.896 5.110 -6.082 1.00 0.00 C ATOM 1093 C SER A 72 -10.880 5.268 -7.243 1.00 0.00 C ATOM 1094 O SER A 72 -11.273 4.279 -7.867 1.00 0.00 O ATOM 1095 CB SER A 72 -8.755 6.122 -6.196 1.00 0.00 C ATOM 1096 OG SER A 72 -7.842 5.748 -7.217 1.00 0.00 O ATOM 0 H SER A 72 -8.949 3.436 -6.913 1.00 0.00 H new ATOM 0 HA SER A 72 -10.448 5.295 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.161 7.110 -6.411 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.231 6.193 -5.243 1.00 0.00 H new ATOM 0 HG SER A 72 -7.123 6.411 -7.272 1.00 0.00 H new ATOM 1102 N ALA A 73 -11.283 6.502 -7.532 1.00 0.00 N ATOM 1103 CA ALA A 73 -12.259 6.755 -8.586 1.00 0.00 C ATOM 1104 C ALA A 73 -11.618 6.694 -9.968 1.00 0.00 C ATOM 1105 O ALA A 73 -12.170 6.095 -10.892 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.927 8.106 -8.381 1.00 0.00 C ATOM 0 H ALA A 73 -10.950 7.339 -7.053 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.014 5.971 -8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.652 8.278 -9.177 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.436 8.118 -7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.172 8.892 -8.402 1.00 0.00 H new ATOM 1112 N GLY A 74 -10.452 7.303 -10.104 1.00 0.00 N ATOM 1113 CA GLY A 74 -9.787 7.350 -11.390 1.00 0.00 C ATOM 1114 C GLY A 74 -8.285 7.313 -11.250 1.00 0.00 C ATOM 1115 O GLY A 74 -7.657 8.333 -10.972 1.00 0.00 O ATOM 0 H GLY A 74 -9.952 7.767 -9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.115 6.508 -11.999 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.080 8.258 -11.917 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.706 6.142 -11.430 1.00 0.00 N ATOM 1120 CA ALA A 75 -6.276 5.975 -11.256 1.00 0.00 C ATOM 1121 C ALA A 75 -5.619 5.441 -12.519 1.00 0.00 C ATOM 1122 O ALA A 75 -6.118 4.504 -13.145 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.998 5.052 -10.088 1.00 0.00 C ATOM 0 H ALA A 75 -8.203 5.292 -11.697 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.847 6.955 -11.048 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.921 4.933 -9.966 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.421 5.478 -9.179 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.451 4.079 -10.277 1.00 0.00 H new ATOM 1129 N ARG A 76 -4.512 6.063 -12.891 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.698 5.619 -14.007 1.00 0.00 C ATOM 1131 C ARG A 76 -3.110 4.244 -13.727 1.00 0.00 C ATOM 1132 O ARG A 76 -2.615 3.992 -12.629 1.00 0.00 O ATOM 1133 CB ARG A 76 -2.573 6.625 -14.251 1.00 0.00 C ATOM 1134 CG ARG A 76 -3.054 7.961 -14.807 1.00 0.00 C ATOM 1135 CD ARG A 76 -3.826 8.799 -13.796 1.00 0.00 C ATOM 1136 NE ARG A 76 -2.990 9.290 -12.703 1.00 0.00 N ATOM 1137 CZ ARG A 76 -3.456 9.586 -11.490 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -4.743 9.411 -11.207 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -2.637 10.076 -10.569 1.00 0.00 N ATOM 0 H ARG A 76 -4.152 6.895 -12.423 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.326 5.552 -14.895 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.045 6.801 -13.314 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.854 6.191 -14.945 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.193 8.531 -15.157 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.688 7.777 -15.674 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.281 9.647 -14.308 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.640 8.202 -13.384 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.993 9.413 -12.878 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.377 9.049 -11.919 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.096 9.639 -10.278 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.652 10.226 -10.790 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.992 10.303 -9.640 1.00 0.00 H new ATOM 1153 N ALA A 77 -3.172 3.359 -14.714 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.638 2.017 -14.554 1.00 0.00 C ATOM 1155 C ALA A 77 -1.118 2.036 -14.599 1.00 0.00 C ATOM 1156 O ALA A 77 -0.514 2.425 -15.602 1.00 0.00 O ATOM 1157 CB ALA A 77 -3.190 1.080 -15.618 1.00 0.00 C ATOM 0 H ALA A 77 -3.585 3.547 -15.628 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.951 1.645 -13.578 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.774 0.082 -15.475 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.276 1.036 -15.536 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.916 1.450 -16.606 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.514 1.624 -13.496 1.00 0.00 N ATOM 1164 CA LEU A 78 0.933 1.535 -13.382 1.00 0.00 C ATOM 1165 C LEU A 78 1.475 0.485 -14.341 1.00 0.00 C ATOM 1166 O LEU A 78 0.877 -0.578 -14.507 1.00 0.00 O ATOM 1167 CB LEU A 78 1.316 1.191 -11.938 1.00 0.00 C ATOM 1168 CG LEU A 78 1.529 2.384 -10.991 1.00 0.00 C ATOM 1169 CD1 LEU A 78 0.402 3.403 -11.088 1.00 0.00 C ATOM 1170 CD2 LEU A 78 1.663 1.887 -9.560 1.00 0.00 C ATOM 0 H LEU A 78 -1.014 1.341 -12.653 1.00 0.00 H new ATOM 0 HA LEU A 78 1.372 2.497 -13.645 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.536 0.555 -11.519 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.232 0.601 -11.958 1.00 0.00 H new ATOM 0 HG LEU A 78 2.447 2.887 -11.295 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.596 4.227 -10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.344 3.786 -12.107 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.543 2.927 -10.825 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.814 2.736 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.755 1.356 -9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.516 1.212 -9.488 1.00 0.00 H new ATOM 1182 N SER A 79 2.602 0.780 -14.969 1.00 0.00 N ATOM 1183 CA SER A 79 3.163 -0.101 -15.980 1.00 0.00 C ATOM 1184 C SER A 79 4.686 -0.045 -15.954 1.00 0.00 C ATOM 1185 O SER A 79 5.270 0.789 -15.258 1.00 0.00 O ATOM 1186 CB SER A 79 2.626 0.302 -17.364 1.00 0.00 C ATOM 1187 OG SER A 79 3.147 -0.521 -18.399 1.00 0.00 O ATOM 0 H SER A 79 3.147 1.625 -14.796 1.00 0.00 H new ATOM 0 HA SER A 79 2.863 -1.127 -15.768 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.538 0.238 -17.363 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.884 1.342 -17.564 1.00 0.00 H new ATOM 0 HG SER A 79 3.994 -0.147 -18.719 1.00 0.00 H new ATOM 1193 N ASP A 80 5.313 -0.956 -16.700 1.00 0.00 N ATOM 1194 CA ASP A 80 6.762 -0.974 -16.870 1.00 0.00 C ATOM 1195 C ASP A 80 7.452 -1.331 -15.564 1.00 0.00 C ATOM 1196 O ASP A 80 6.901 -2.082 -14.756 1.00 0.00 O ATOM 1197 CB ASP A 80 7.256 0.378 -17.405 1.00 0.00 C ATOM 1198 CG ASP A 80 6.802 0.650 -18.828 1.00 0.00 C ATOM 1199 OD1 ASP A 80 5.577 0.654 -19.090 1.00 0.00 O ATOM 1200 OD2 ASP A 80 7.674 0.859 -19.698 1.00 0.00 O ATOM 0 H ASP A 80 4.829 -1.700 -17.202 1.00 0.00 H new ATOM 0 HA ASP A 80 7.015 -1.741 -17.602 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.895 1.175 -16.755 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.345 0.403 -17.365 1.00 0.00 H new ATOM 1205 N ALA A 81 8.655 -0.810 -15.367 1.00 0.00 N ATOM 1206 CA ALA A 81 9.453 -1.143 -14.199 1.00 0.00 C ATOM 1207 C ALA A 81 8.729 -0.811 -12.900 1.00 0.00 C ATOM 1208 O ALA A 81 9.003 -1.418 -11.870 1.00 0.00 O ATOM 1209 CB ALA A 81 10.791 -0.425 -14.253 1.00 0.00 C ATOM 0 H ALA A 81 9.100 -0.151 -16.006 1.00 0.00 H new ATOM 0 HA ALA A 81 9.621 -2.220 -14.215 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.378 -0.684 -13.372 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.330 -0.728 -15.150 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.625 0.652 -14.275 1.00 0.00 H new ATOM 1215 N GLU A 82 7.789 0.129 -12.967 1.00 0.00 N ATOM 1216 CA GLU A 82 7.031 0.561 -11.804 1.00 0.00 C ATOM 1217 C GLU A 82 6.344 -0.623 -11.142 1.00 0.00 C ATOM 1218 O GLU A 82 6.653 -0.958 -10.004 1.00 0.00 O ATOM 1219 CB GLU A 82 6.023 1.630 -12.237 1.00 0.00 C ATOM 1220 CG GLU A 82 4.895 1.878 -11.253 1.00 0.00 C ATOM 1221 CD GLU A 82 5.359 2.422 -9.917 1.00 0.00 C ATOM 1222 OE1 GLU A 82 5.468 3.657 -9.781 1.00 0.00 O ATOM 1223 OE2 GLU A 82 5.602 1.618 -8.996 1.00 0.00 O ATOM 0 H GLU A 82 7.534 0.610 -13.830 1.00 0.00 H new ATOM 0 HA GLU A 82 7.704 0.993 -11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.556 2.567 -12.400 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.593 1.337 -13.195 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.187 2.580 -11.695 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.357 0.944 -11.088 1.00 0.00 H new ATOM 1230 N THR A 83 5.465 -1.290 -11.875 1.00 0.00 N ATOM 1231 CA THR A 83 4.718 -2.405 -11.322 1.00 0.00 C ATOM 1232 C THR A 83 5.664 -3.488 -10.812 1.00 0.00 C ATOM 1233 O THR A 83 5.385 -4.140 -9.817 1.00 0.00 O ATOM 1234 CB THR A 83 3.773 -3.014 -12.370 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.364 -2.002 -13.301 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.540 -3.606 -11.703 1.00 0.00 C ATOM 0 H THR A 83 5.253 -1.078 -12.850 1.00 0.00 H new ATOM 0 HA THR A 83 4.126 -2.020 -10.492 1.00 0.00 H new ATOM 0 HB THR A 83 4.307 -3.806 -12.894 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.385 -1.962 -13.332 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.884 -4.032 -12.463 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.843 -4.387 -11.006 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.008 -2.824 -11.162 1.00 0.00 H new ATOM 1244 N LYS A 84 6.804 -3.643 -11.478 1.00 0.00 N ATOM 1245 CA LYS A 84 7.764 -4.685 -11.140 1.00 0.00 C ATOM 1246 C LYS A 84 8.315 -4.498 -9.732 1.00 0.00 C ATOM 1247 O LYS A 84 8.124 -5.342 -8.855 1.00 0.00 O ATOM 1248 CB LYS A 84 8.915 -4.662 -12.143 1.00 0.00 C ATOM 1249 CG LYS A 84 8.459 -4.726 -13.584 1.00 0.00 C ATOM 1250 CD LYS A 84 7.677 -6.002 -13.861 1.00 0.00 C ATOM 1251 CE LYS A 84 7.251 -6.097 -15.315 1.00 0.00 C ATOM 1252 NZ LYS A 84 6.534 -7.370 -15.599 1.00 0.00 N ATOM 0 H LYS A 84 7.086 -3.054 -12.261 1.00 0.00 H new ATOM 0 HA LYS A 84 7.250 -5.645 -11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.498 -3.753 -11.994 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.579 -5.503 -11.942 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.837 -3.860 -13.810 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.325 -4.677 -14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.289 -6.867 -13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.795 -6.034 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.605 -5.254 -15.560 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.129 -6.024 -15.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.557 -7.561 -16.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.997 -8.150 -15.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.546 -7.290 -15.285 1.00 0.00 H new ATOM 1266 N VAL A 85 8.982 -3.377 -9.524 1.00 0.00 N ATOM 1267 CA VAL A 85 9.601 -3.070 -8.244 1.00 0.00 C ATOM 1268 C VAL A 85 8.537 -2.821 -7.174 1.00 0.00 C ATOM 1269 O VAL A 85 8.707 -3.202 -6.009 1.00 0.00 O ATOM 1270 CB VAL A 85 10.539 -1.849 -8.379 1.00 0.00 C ATOM 1271 CG1 VAL A 85 9.842 -0.735 -9.133 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.020 -1.359 -7.019 1.00 0.00 C ATOM 0 H VAL A 85 9.110 -2.655 -10.233 1.00 0.00 H new ATOM 0 HA VAL A 85 10.197 -3.929 -7.934 1.00 0.00 H new ATOM 0 HB VAL A 85 11.418 -2.161 -8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.513 0.120 -9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.567 -1.085 -10.128 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.944 -0.437 -8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.677 -0.500 -7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.162 -1.068 -6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.565 -2.158 -6.516 1.00 0.00 H new ATOM 1282 N PHE A 86 7.433 -2.210 -7.585 1.00 0.00 N ATOM 1283 CA PHE A 86 6.325 -1.944 -6.687 1.00 0.00 C ATOM 1284 C PHE A 86 5.739 -3.257 -6.167 1.00 0.00 C ATOM 1285 O PHE A 86 5.449 -3.382 -4.979 1.00 0.00 O ATOM 1286 CB PHE A 86 5.262 -1.103 -7.403 1.00 0.00 C ATOM 1287 CG PHE A 86 4.108 -0.694 -6.530 1.00 0.00 C ATOM 1288 CD1 PHE A 86 4.229 0.377 -5.659 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.905 -1.375 -6.582 1.00 0.00 C ATOM 1290 CE1 PHE A 86 3.170 0.759 -4.857 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.842 -0.999 -5.783 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.975 0.070 -4.918 1.00 0.00 C ATOM 0 H PHE A 86 7.284 -1.889 -8.542 1.00 0.00 H new ATOM 0 HA PHE A 86 6.685 -1.376 -5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.734 -0.207 -7.805 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.878 -1.669 -8.252 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.161 0.919 -5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.795 -2.212 -7.256 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.277 1.596 -4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.909 -1.540 -5.835 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.147 0.366 -4.291 1.00 0.00 H new ATOM 1302 N LEU A 87 5.588 -4.241 -7.056 1.00 0.00 N ATOM 1303 CA LEU A 87 5.164 -5.582 -6.654 1.00 0.00 C ATOM 1304 C LEU A 87 6.186 -6.197 -5.710 1.00 0.00 C ATOM 1305 O LEU A 87 5.835 -6.756 -4.677 1.00 0.00 O ATOM 1306 CB LEU A 87 4.995 -6.502 -7.873 1.00 0.00 C ATOM 1307 CG LEU A 87 3.764 -6.246 -8.746 1.00 0.00 C ATOM 1308 CD1 LEU A 87 3.894 -6.979 -10.072 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.497 -6.685 -8.034 1.00 0.00 C ATOM 0 H LEU A 87 5.753 -4.134 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 87 4.203 -5.485 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.883 -6.410 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.958 -7.533 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 87 3.701 -5.175 -8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.011 -6.787 -10.682 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.781 -6.626 -10.597 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.983 -8.050 -9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.635 -6.493 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.555 -7.751 -7.813 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.390 -6.126 -7.104 1.00 0.00 H new ATOM 1321 N LYS A 88 7.458 -6.054 -6.064 1.00 0.00 N ATOM 1322 CA LYS A 88 8.548 -6.683 -5.325 1.00 0.00 C ATOM 1323 C LYS A 88 8.675 -6.156 -3.900 1.00 0.00 C ATOM 1324 O LYS A 88 9.340 -6.776 -3.069 1.00 0.00 O ATOM 1325 CB LYS A 88 9.868 -6.516 -6.075 1.00 0.00 C ATOM 1326 CG LYS A 88 9.943 -7.336 -7.347 1.00 0.00 C ATOM 1327 CD LYS A 88 10.153 -8.803 -7.029 1.00 0.00 C ATOM 1328 CE LYS A 88 10.170 -9.654 -8.287 1.00 0.00 C ATOM 1329 NZ LYS A 88 8.818 -9.766 -8.895 1.00 0.00 N ATOM 0 H LYS A 88 7.762 -5.502 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 88 8.308 -7.744 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.007 -5.463 -6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.690 -6.801 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.024 -7.211 -7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.760 -6.974 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.094 -8.928 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.360 -9.149 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.859 -9.219 -9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.545 -10.649 -8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.842 -10.460 -9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.137 -10.076 -8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.528 -8.840 -9.269 1.00 0.00 H new ATOM 1343 N ALA A 89 8.067 -5.009 -3.617 1.00 0.00 N ATOM 1344 CA ALA A 89 7.997 -4.526 -2.242 1.00 0.00 C ATOM 1345 C ALA A 89 7.345 -5.582 -1.359 1.00 0.00 C ATOM 1346 O ALA A 89 7.745 -5.791 -0.214 1.00 0.00 O ATOM 1347 CB ALA A 89 7.221 -3.221 -2.156 1.00 0.00 C ATOM 0 H ALA A 89 7.622 -4.405 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 89 9.012 -4.337 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.186 -2.886 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.714 -2.464 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.206 -3.377 -2.522 1.00 0.00 H new ATOM 1353 N GLY A 90 6.347 -6.257 -1.916 1.00 0.00 N ATOM 1354 CA GLY A 90 5.666 -7.312 -1.198 1.00 0.00 C ATOM 1355 C GLY A 90 6.076 -8.677 -1.697 1.00 0.00 C ATOM 1356 O GLY A 90 6.418 -9.554 -0.904 1.00 0.00 O ATOM 0 H GLY A 90 5.997 -6.089 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.888 -7.231 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.588 -7.192 -1.309 1.00 0.00 H new ATOM 1360 N ASP A 91 6.077 -8.834 -3.020 1.00 0.00 N ATOM 1361 CA ASP A 91 6.454 -10.088 -3.661 1.00 0.00 C ATOM 1362 C ASP A 91 7.879 -10.473 -3.287 1.00 0.00 C ATOM 1363 O ASP A 91 8.852 -9.925 -3.815 1.00 0.00 O ATOM 1364 CB ASP A 91 6.345 -9.966 -5.179 1.00 0.00 C ATOM 1365 CG ASP A 91 6.985 -11.136 -5.898 1.00 0.00 C ATOM 1366 OD1 ASP A 91 7.045 -12.244 -5.320 1.00 0.00 O ATOM 1367 OD2 ASP A 91 7.438 -10.953 -7.047 1.00 0.00 O ATOM 0 H ASP A 91 5.817 -8.096 -3.674 1.00 0.00 H new ATOM 0 HA ASP A 91 5.771 -10.863 -3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.294 -9.900 -5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.821 -9.040 -5.502 1.00 0.00 H new ATOM 1372 N SER A 92 7.993 -11.400 -2.359 1.00 0.00 N ATOM 1373 CA SER A 92 9.281 -11.877 -1.908 1.00 0.00 C ATOM 1374 C SER A 92 9.618 -13.185 -2.606 1.00 0.00 C ATOM 1375 O SER A 92 10.731 -13.699 -2.503 1.00 0.00 O ATOM 1376 CB SER A 92 9.255 -12.058 -0.393 1.00 0.00 C ATOM 1377 OG SER A 92 8.702 -10.909 0.236 1.00 0.00 O ATOM 0 H SER A 92 7.198 -11.842 -1.898 1.00 0.00 H new ATOM 0 HA SER A 92 10.052 -11.148 -2.157 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.667 -12.939 -0.136 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.266 -12.231 -0.024 1.00 0.00 H new ATOM 0 HG SER A 92 7.851 -10.679 -0.193 1.00 0.00 H new ATOM 1383 N ASP A 93 8.642 -13.707 -3.338 1.00 0.00 N ATOM 1384 CA ASP A 93 8.786 -15.000 -3.999 1.00 0.00 C ATOM 1385 C ASP A 93 9.406 -14.836 -5.374 1.00 0.00 C ATOM 1386 O ASP A 93 10.019 -15.760 -5.911 1.00 0.00 O ATOM 1387 CB ASP A 93 7.430 -15.694 -4.173 1.00 0.00 C ATOM 1388 CG ASP A 93 6.586 -15.704 -2.920 1.00 0.00 C ATOM 1389 OD1 ASP A 93 6.772 -16.603 -2.073 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.711 -14.820 -2.786 1.00 0.00 O ATOM 0 H ASP A 93 7.740 -13.255 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 93 9.430 -15.607 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.877 -15.196 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.597 -16.722 -4.496 1.00 0.00 H new ATOM 1395 N GLY A 94 9.244 -13.648 -5.931 1.00 0.00 N ATOM 1396 CA GLY A 94 9.588 -13.422 -7.314 1.00 0.00 C ATOM 1397 C GLY A 94 8.469 -13.901 -8.210 1.00 0.00 C ATOM 1398 O GLY A 94 8.699 -14.376 -9.320 1.00 0.00 O ATOM 0 H GLY A 94 8.877 -12.830 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.771 -12.361 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.511 -13.948 -7.558 1.00 0.00 H new ATOM 1402 N ASP A 95 7.247 -13.771 -7.709 1.00 0.00 N ATOM 1403 CA ASP A 95 6.070 -14.278 -8.397 1.00 0.00 C ATOM 1404 C ASP A 95 5.449 -13.222 -9.310 1.00 0.00 C ATOM 1405 O ASP A 95 4.692 -13.550 -10.226 1.00 0.00 O ATOM 1406 CB ASP A 95 5.029 -14.804 -7.390 1.00 0.00 C ATOM 1407 CG ASP A 95 4.660 -13.801 -6.305 1.00 0.00 C ATOM 1408 OD1 ASP A 95 4.461 -12.622 -6.620 1.00 0.00 O ATOM 1409 OD2 ASP A 95 4.547 -14.200 -5.120 1.00 0.00 O ATOM 0 H ASP A 95 7.046 -13.314 -6.820 1.00 0.00 H new ATOM 0 HA ASP A 95 6.394 -15.108 -9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.126 -15.089 -7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.417 -15.707 -6.919 1.00 0.00 H new ATOM 1414 N GLY A 96 5.783 -11.959 -9.064 1.00 0.00 N ATOM 1415 CA GLY A 96 5.281 -10.881 -9.898 1.00 0.00 C ATOM 1416 C GLY A 96 3.855 -10.506 -9.549 1.00 0.00 C ATOM 1417 O GLY A 96 3.094 -10.051 -10.404 1.00 0.00 O ATOM 0 H GLY A 96 6.393 -11.662 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.923 -10.007 -9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.331 -11.180 -10.945 1.00 0.00 H new ATOM 1421 N LYS A 97 3.497 -10.721 -8.298 1.00 0.00 N ATOM 1422 CA LYS A 97 2.153 -10.464 -7.809 1.00 0.00 C ATOM 1423 C LYS A 97 2.239 -10.005 -6.371 1.00 0.00 C ATOM 1424 O LYS A 97 3.319 -9.984 -5.786 1.00 0.00 O ATOM 1425 CB LYS A 97 1.338 -11.753 -7.903 1.00 0.00 C ATOM 1426 CG LYS A 97 1.500 -12.684 -6.706 1.00 0.00 C ATOM 1427 CD LYS A 97 1.199 -14.130 -7.080 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.207 -14.290 -7.636 1.00 0.00 C ATOM 1429 NZ LYS A 97 -0.444 -15.656 -8.176 1.00 0.00 N ATOM 0 H LYS A 97 4.133 -11.081 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 97 1.669 -9.691 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.284 -11.496 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.628 -12.288 -8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.517 -12.611 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.833 -12.368 -5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.923 -14.472 -7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.317 -14.764 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.933 -14.080 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.370 -13.556 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.939 -15.588 -9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.467 -16.139 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.026 -16.198 -7.506 1.00 0.00 H new ATOM 1443 N ILE A 98 1.118 -9.632 -5.793 1.00 0.00 N ATOM 1444 CA ILE A 98 1.117 -9.279 -4.400 1.00 0.00 C ATOM 1445 C ILE A 98 0.406 -10.341 -3.598 1.00 0.00 C ATOM 1446 O ILE A 98 -0.819 -10.470 -3.660 1.00 0.00 O ATOM 1447 CB ILE A 98 0.463 -7.907 -4.144 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.328 -6.792 -4.724 1.00 0.00 C ATOM 1449 CG2 ILE A 98 0.232 -7.685 -2.663 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.739 -6.778 -4.183 1.00 0.00 C ATOM 0 H ILE A 98 0.213 -9.567 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 98 2.158 -9.210 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.506 -7.892 -4.642 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.364 -6.898 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.857 -5.832 -4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.230 -6.710 -2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.426 -8.464 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.186 -7.722 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.296 -5.960 -4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.713 -6.641 -3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.228 -7.724 -4.417 1.00 0.00 H new ATOM 1462 N GLY A 99 1.175 -11.142 -2.888 1.00 0.00 N ATOM 1463 CA GLY A 99 0.572 -11.964 -1.885 1.00 0.00 C ATOM 1464 C GLY A 99 -0.094 -11.065 -0.879 1.00 0.00 C ATOM 1465 O GLY A 99 0.466 -10.042 -0.505 1.00 0.00 O ATOM 0 H GLY A 99 2.186 -11.234 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.157 -12.638 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.325 -12.586 -1.400 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.286 -11.411 -0.466 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.042 -10.571 0.441 1.00 0.00 C ATOM 1471 C VAL A 100 -1.259 -10.325 1.733 1.00 0.00 C ATOM 1472 O VAL A 100 -1.162 -9.194 2.225 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.408 -11.223 0.704 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -4.044 -10.725 1.991 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.322 -10.977 -0.495 1.00 0.00 C ATOM 0 H VAL A 100 -1.760 -12.271 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.209 -9.593 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.258 -12.295 0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.008 -11.214 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.391 -10.956 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.190 -9.647 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.293 -11.438 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.451 -9.904 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.875 -11.413 -1.389 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.644 -11.377 2.237 1.00 0.00 N ATOM 1486 CA ASP A 101 0.208 -11.276 3.409 1.00 0.00 C ATOM 1487 C ASP A 101 1.462 -10.468 3.078 1.00 0.00 C ATOM 1488 O ASP A 101 1.984 -9.722 3.917 1.00 0.00 O ATOM 1489 CB ASP A 101 0.582 -12.675 3.890 1.00 0.00 C ATOM 1490 CG ASP A 101 1.360 -12.656 5.190 1.00 0.00 C ATOM 1491 OD1 ASP A 101 0.741 -12.435 6.251 1.00 0.00 O ATOM 1492 OD2 ASP A 101 2.590 -12.862 5.157 1.00 0.00 O ATOM 0 H ASP A 101 -0.718 -12.318 1.851 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.331 -10.762 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.325 -13.264 4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.176 -13.172 3.123 1.00 0.00 H new ATOM 1497 N GLU A 102 1.916 -10.604 1.834 1.00 0.00 N ATOM 1498 CA GLU A 102 3.078 -9.872 1.344 1.00 0.00 C ATOM 1499 C GLU A 102 2.779 -8.377 1.267 1.00 0.00 C ATOM 1500 O GLU A 102 3.660 -7.547 1.492 1.00 0.00 O ATOM 1501 CB GLU A 102 3.505 -10.387 -0.039 1.00 0.00 C ATOM 1502 CG GLU A 102 3.781 -11.884 -0.077 1.00 0.00 C ATOM 1503 CD GLU A 102 4.534 -12.323 -1.323 1.00 0.00 C ATOM 1504 OE1 GLU A 102 3.894 -12.582 -2.374 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.771 -12.442 -1.260 1.00 0.00 O ATOM 0 H GLU A 102 1.491 -11.221 1.142 1.00 0.00 H new ATOM 0 HA GLU A 102 3.895 -10.034 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.723 -10.152 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.401 -9.853 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.357 -12.163 0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.835 -12.423 -0.023 1.00 0.00 H new ATOM 1512 N PHE A 103 1.532 -8.038 0.947 1.00 0.00 N ATOM 1513 CA PHE A 103 1.116 -6.644 0.878 1.00 0.00 C ATOM 1514 C PHE A 103 1.259 -5.995 2.242 1.00 0.00 C ATOM 1515 O PHE A 103 1.774 -4.889 2.354 1.00 0.00 O ATOM 1516 CB PHE A 103 -0.326 -6.513 0.386 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.715 -5.097 0.047 1.00 0.00 C ATOM 1518 CD1 PHE A 103 -0.258 -4.500 -1.117 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -1.530 -4.364 0.887 1.00 0.00 C ATOM 1520 CE1 PHE A 103 -0.605 -3.201 -1.433 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.880 -3.067 0.576 1.00 0.00 C ATOM 1522 CZ PHE A 103 -1.419 -2.484 -0.584 1.00 0.00 C ATOM 0 H PHE A 103 0.795 -8.710 0.732 1.00 0.00 H new ATOM 0 HA PHE A 103 1.761 -6.135 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.460 -7.140 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -1.000 -6.894 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.379 -5.059 -1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.898 -4.812 1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -0.239 -2.749 -2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.517 -2.507 1.244 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.695 -1.468 -0.827 1.00 0.00 H new ATOM 1532 N GLY A 104 0.815 -6.695 3.279 1.00 0.00 N ATOM 1533 CA GLY A 104 1.004 -6.196 4.630 1.00 0.00 C ATOM 1534 C GLY A 104 2.463 -5.868 4.904 1.00 0.00 C ATOM 1535 O GLY A 104 2.791 -4.811 5.458 1.00 0.00 O ATOM 0 H GLY A 104 0.332 -7.591 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.395 -5.304 4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.657 -6.941 5.346 1.00 0.00 H new ATOM 1539 N ALA A 105 3.341 -6.765 4.473 1.00 0.00 N ATOM 1540 CA ALA A 105 4.773 -6.581 4.650 1.00 0.00 C ATOM 1541 C ALA A 105 5.290 -5.364 3.880 1.00 0.00 C ATOM 1542 O ALA A 105 6.099 -4.608 4.402 1.00 0.00 O ATOM 1543 CB ALA A 105 5.521 -7.837 4.229 1.00 0.00 C ATOM 0 H ALA A 105 3.084 -7.630 3.997 1.00 0.00 H new ATOM 0 HA ALA A 105 4.955 -6.397 5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.592 -7.686 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.192 -8.678 4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.316 -8.048 3.179 1.00 0.00 H new ATOM 1549 N MET A 106 4.810 -5.167 2.653 1.00 0.00 N ATOM 1550 CA MET A 106 5.302 -4.074 1.804 1.00 0.00 C ATOM 1551 C MET A 106 4.801 -2.719 2.291 1.00 0.00 C ATOM 1552 O MET A 106 5.390 -1.686 1.971 1.00 0.00 O ATOM 1553 CB MET A 106 4.885 -4.275 0.344 1.00 0.00 C ATOM 1554 CG MET A 106 3.416 -4.012 0.088 1.00 0.00 C ATOM 1555 SD MET A 106 2.818 -4.734 -1.453 1.00 0.00 S ATOM 1556 CE MET A 106 3.477 -3.619 -2.681 1.00 0.00 C ATOM 0 H MET A 106 4.086 -5.743 2.224 1.00 0.00 H new ATOM 0 HA MET A 106 6.390 -4.090 1.869 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.479 -3.615 -0.288 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.119 -5.297 0.046 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.833 -4.411 0.918 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.245 -2.936 0.067 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.660 -3.205 -3.272 1.00 0.00 H new ATOM 0 HE2 MET A 106 4.014 -2.809 -2.187 1.00 0.00 H new ATOM 0 HE3 MET A 106 4.160 -4.161 -3.335 1.00 0.00 H new ATOM 1566 N ILE A 107 3.714 -2.720 3.054 1.00 0.00 N ATOM 1567 CA ILE A 107 3.189 -1.483 3.612 1.00 0.00 C ATOM 1568 C ILE A 107 4.102 -1.034 4.736 1.00 0.00 C ATOM 1569 O ILE A 107 4.362 0.150 4.933 1.00 0.00 O ATOM 1570 CB ILE A 107 1.758 -1.657 4.176 1.00 0.00 C ATOM 1571 CG1 ILE A 107 0.812 -2.180 3.100 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.243 -0.341 4.739 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.522 -2.626 3.649 1.00 0.00 C ATOM 0 H ILE A 107 3.184 -3.557 3.298 1.00 0.00 H new ATOM 0 HA ILE A 107 3.146 -0.744 2.812 1.00 0.00 H new ATOM 0 HB ILE A 107 1.798 -2.389 4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.650 -1.399 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.284 -3.017 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.236 -0.482 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.901 -0.006 5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.223 0.410 3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.149 -2.987 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.369 -3.428 4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.013 -1.785 4.139 1.00 0.00 H new ATOM 1585 N LYS A 108 4.591 -2.024 5.458 1.00 0.00 N ATOM 1586 CA LYS A 108 5.460 -1.802 6.599 1.00 0.00 C ATOM 1587 C LYS A 108 6.930 -1.692 6.166 1.00 0.00 C ATOM 1588 O LYS A 108 7.755 -1.121 6.881 1.00 0.00 O ATOM 1589 CB LYS A 108 5.223 -2.947 7.595 1.00 0.00 C ATOM 1590 CG LYS A 108 6.194 -3.027 8.776 1.00 0.00 C ATOM 1591 CD LYS A 108 7.496 -3.740 8.415 1.00 0.00 C ATOM 1592 CE LYS A 108 7.271 -5.194 8.021 1.00 0.00 C ATOM 1593 NZ LYS A 108 6.716 -6.000 9.138 1.00 0.00 N ATOM 0 H LYS A 108 4.397 -3.007 5.270 1.00 0.00 H new ATOM 0 HA LYS A 108 5.226 -0.853 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.211 -2.854 7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 108 5.268 -3.890 7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 108 6.420 -2.020 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.714 -3.551 9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.979 -3.214 7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 108 8.178 -3.698 9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.590 -5.237 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.215 -5.630 7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.722 -7.007 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.297 -5.860 9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 5.740 -5.699 9.332 1.00 0.00 H new ATOM 1607 N ALA A 109 7.244 -2.226 4.994 1.00 0.00 N ATOM 1608 CA ALA A 109 8.617 -2.264 4.504 1.00 0.00 C ATOM 1609 C ALA A 109 9.127 -0.873 4.141 1.00 0.00 C ATOM 1610 O ALA A 109 8.892 -0.426 3.000 1.00 0.00 O ATOM 1611 CB ALA A 109 8.726 -3.194 3.306 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.789 -0.243 4.993 1.00 0.00 O ATOM 0 H ALA A 109 6.562 -2.642 4.360 1.00 0.00 H new ATOM 0 HA ALA A 109 9.243 -2.646 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.757 -3.212 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.425 -4.200 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.074 -2.838 2.508 1.00 0.00 H new