USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ 147:sc= -0.224 (180deg=-1.42) USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 149:sc= -0.0074 (180deg=0) USER MOD Set 2.2: A 61 GLN :FLIP amide:sc= -2.06! C(o=-3.2!,f=-2.1!) USER MOD Single : A 15 HIS : no HE2:sc= -2.99 K(o=-3,f=-5.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 140:sc= -3.01! (180deg=-4.13!) USER MOD Single : A 48 HIS : no HD1:sc= -3.09! C(o=-3.1!,f=-5.5!) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.064 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.8! C(o=-1.8!,f=-5!) USER MOD Single : A 52 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0823) USER MOD Single : A 74 SER OG : rot 160:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.4) USER MOD Single : A 77 MET CE :methyl -174:sc= -1.94 (180deg=-1.96) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= 1.2 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.443 12.803 -9.939 1.00 0.00 N ATOM 67 CA ASP A 8 -0.787 11.693 -9.256 1.00 0.00 C ATOM 68 C ASP A 8 -1.677 11.133 -8.151 1.00 0.00 C ATOM 69 O ASP A 8 -2.598 11.802 -7.682 1.00 0.00 O ATOM 70 CB ASP A 8 0.551 12.145 -8.670 1.00 0.00 C ATOM 71 CG ASP A 8 1.303 13.079 -9.598 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.410 12.761 -10.801 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.784 14.129 -9.121 1.00 0.00 O ATOM 0 HA ASP A 8 -0.606 10.905 -9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.377 12.646 -7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.167 11.270 -8.462 1.00 0.00 H new ATOM 78 N VAL A 9 -1.397 9.901 -7.740 1.00 0.00 N ATOM 79 CA VAL A 9 -2.172 9.250 -6.689 1.00 0.00 C ATOM 80 C VAL A 9 -1.462 9.346 -5.343 1.00 0.00 C ATOM 81 O VAL A 9 -0.518 8.603 -5.074 1.00 0.00 O ATOM 82 CB VAL A 9 -2.428 7.767 -7.018 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.183 7.092 -5.883 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.189 7.636 -8.328 1.00 0.00 C ATOM 0 H VAL A 9 -0.639 9.333 -8.118 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.127 9.772 -6.630 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.467 7.266 -7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.355 6.045 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.595 7.155 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.140 7.592 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.361 6.582 -8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.146 8.151 -8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.606 8.082 -9.134 1.00 0.00 H new ATOM 94 N ARG A 10 -1.923 10.265 -4.502 1.00 0.00 N ATOM 95 CA ARG A 10 -1.332 10.459 -3.183 1.00 0.00 C ATOM 96 C ARG A 10 -1.523 9.219 -2.314 1.00 0.00 C ATOM 97 O ARG A 10 -2.641 8.893 -1.917 1.00 0.00 O ATOM 98 CB ARG A 10 -1.953 11.677 -2.497 1.00 0.00 C ATOM 99 CG ARG A 10 -1.064 12.292 -1.428 1.00 0.00 C ATOM 100 CD ARG A 10 -1.819 13.322 -0.601 1.00 0.00 C ATOM 101 NE ARG A 10 -1.829 14.635 -1.239 1.00 0.00 N ATOM 102 CZ ARG A 10 -0.835 15.511 -1.134 1.00 0.00 C ATOM 103 NH1 ARG A 10 0.242 15.213 -0.421 1.00 0.00 N ATOM 104 NH2 ARG A 10 -0.918 16.686 -1.744 1.00 0.00 N ATOM 0 H ARG A 10 -2.704 10.887 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.263 10.629 -3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.178 12.433 -3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.901 11.385 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.683 11.507 -0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.201 12.763 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.844 12.985 -0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.361 13.402 0.385 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.643 14.894 -1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.309 14.310 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.004 15.887 -0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.745 16.918 -2.294 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.155 17.358 -1.663 1.00 0.00 H new ATOM 118 N VAL A 11 -0.423 8.532 -2.023 1.00 0.00 N ATOM 119 CA VAL A 11 -0.469 7.329 -1.201 1.00 0.00 C ATOM 120 C VAL A 11 0.268 7.536 0.117 1.00 0.00 C ATOM 121 O VAL A 11 1.463 7.831 0.134 1.00 0.00 O ATOM 122 CB VAL A 11 0.146 6.123 -1.936 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.150 4.895 -1.039 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.607 5.847 -3.229 1.00 0.00 C ATOM 0 H VAL A 11 0.511 8.788 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.520 7.124 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 11 1.179 6.362 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.588 4.054 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.738 5.100 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.873 4.650 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.159 4.992 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.651 5.629 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.551 6.722 -3.876 1.00 0.00 H new ATOM 134 N LYS A 12 -0.453 7.378 1.223 1.00 0.00 N ATOM 135 CA LYS A 12 0.131 7.546 2.548 1.00 0.00 C ATOM 136 C LYS A 12 0.510 6.196 3.150 1.00 0.00 C ATOM 137 O LYS A 12 -0.284 5.256 3.139 1.00 0.00 O ATOM 138 CB LYS A 12 -0.849 8.271 3.472 1.00 0.00 C ATOM 139 CG LYS A 12 -0.204 8.821 4.732 1.00 0.00 C ATOM 140 CD LYS A 12 -1.178 8.831 5.899 1.00 0.00 C ATOM 141 CE LYS A 12 -2.197 9.953 5.764 1.00 0.00 C ATOM 142 NZ LYS A 12 -3.297 9.594 4.827 1.00 0.00 N ATOM 0 H LYS A 12 -1.443 7.134 1.227 1.00 0.00 H new ATOM 0 HA LYS A 12 1.035 8.146 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.313 9.091 2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.647 7.583 3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.667 8.218 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.153 9.834 4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.695 7.873 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.628 8.948 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.615 10.183 6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.699 10.855 5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.182 10.039 5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.063 9.931 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.415 8.561 4.810 1.00 0.00 H new ATOM 156 N PHE A 13 1.727 6.109 3.676 1.00 0.00 N ATOM 157 CA PHE A 13 2.211 4.874 4.283 1.00 0.00 C ATOM 158 C PHE A 13 2.147 4.956 5.806 1.00 0.00 C ATOM 159 O PHE A 13 2.124 6.045 6.378 1.00 0.00 O ATOM 160 CB PHE A 13 3.646 4.589 3.836 1.00 0.00 C ATOM 161 CG PHE A 13 3.750 4.135 2.409 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.900 3.160 1.914 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.698 4.685 1.561 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.995 2.740 0.601 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.797 4.269 0.246 1.00 0.00 C ATOM 166 CZ PHE A 13 3.943 3.296 -0.235 1.00 0.00 C ATOM 0 H PHE A 13 2.396 6.879 3.694 1.00 0.00 H new ATOM 0 HA PHE A 13 1.567 4.059 3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.245 5.491 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.075 3.825 4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.154 2.723 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.367 5.447 1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.328 1.977 0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.541 4.704 -0.404 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.016 2.971 -1.262 1.00 0.00 H new ATOM 176 N GLU A 14 2.118 3.796 6.454 1.00 0.00 N ATOM 177 CA GLU A 14 2.055 3.736 7.909 1.00 0.00 C ATOM 178 C GLU A 14 2.818 2.525 8.438 1.00 0.00 C ATOM 179 O GLU A 14 2.645 1.407 7.951 1.00 0.00 O ATOM 180 CB GLU A 14 0.599 3.679 8.377 1.00 0.00 C ATOM 181 CG GLU A 14 -0.047 5.046 8.526 1.00 0.00 C ATOM 182 CD GLU A 14 -1.557 4.969 8.635 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.054 4.180 9.466 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.243 5.699 7.888 1.00 0.00 O ATOM 0 H GLU A 14 2.137 2.886 5.994 1.00 0.00 H new ATOM 0 HA GLU A 14 2.521 4.638 8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.021 3.089 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.554 3.159 9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.353 5.538 9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.221 5.665 7.670 1.00 0.00 H new ATOM 191 N HIS A 15 3.664 2.756 9.437 1.00 0.00 N ATOM 192 CA HIS A 15 4.454 1.684 10.033 1.00 0.00 C ATOM 193 C HIS A 15 4.884 2.050 11.450 1.00 0.00 C ATOM 194 O HIS A 15 5.621 3.014 11.656 1.00 0.00 O ATOM 195 CB HIS A 15 5.685 1.392 9.173 1.00 0.00 C ATOM 196 CG HIS A 15 6.217 0.002 9.342 1.00 0.00 C ATOM 197 ND1 HIS A 15 6.629 -0.504 10.557 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.401 -0.991 8.440 1.00 0.00 C ATOM 199 CE1 HIS A 15 7.045 -1.747 10.395 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.917 -2.067 9.120 1.00 0.00 N ATOM 0 H HIS A 15 3.820 3.675 9.851 1.00 0.00 H new ATOM 0 HA HIS A 15 3.832 0.790 10.081 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.432 1.550 8.125 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.470 2.106 9.423 1.00 0.00 H new ATOM 0 HD1 HIS A 15 6.615 0.002 11.442 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.183 -0.945 7.383 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.425 -2.392 11.173 1.00 0.00 H new ATOM 209 N ARG A 16 4.419 1.273 12.423 1.00 0.00 N ATOM 210 CA ARG A 16 4.753 1.516 13.821 1.00 0.00 C ATOM 211 C ARG A 16 4.676 3.005 14.148 1.00 0.00 C ATOM 212 O ARG A 16 5.545 3.548 14.828 1.00 0.00 O ATOM 213 CB ARG A 16 6.155 0.988 14.131 1.00 0.00 C ATOM 214 CG ARG A 16 6.181 -0.484 14.511 1.00 0.00 C ATOM 215 CD ARG A 16 7.604 -1.015 14.586 1.00 0.00 C ATOM 216 NE ARG A 16 8.441 -0.214 15.476 1.00 0.00 N ATOM 217 CZ ARG A 16 9.560 -0.662 16.032 1.00 0.00 C ATOM 218 NH1 ARG A 16 9.975 -1.899 15.792 1.00 0.00 N ATOM 219 NH2 ARG A 16 10.268 0.126 16.831 1.00 0.00 N ATOM 0 H ARG A 16 3.810 0.470 12.269 1.00 0.00 H new ATOM 0 HA ARG A 16 4.027 0.988 14.439 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.793 1.141 13.260 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.582 1.573 14.946 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.689 -0.621 15.474 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.615 -1.060 13.779 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.588 -2.047 14.935 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.041 -1.023 13.587 1.00 0.00 H new ATOM 0 HE ARG A 16 8.150 0.742 15.681 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.434 -2.509 15.179 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.835 -2.241 16.221 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.953 1.078 17.019 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.128 -0.220 17.257 1.00 0.00 H new ATOM 233 N GLY A 17 3.627 3.659 13.657 1.00 0.00 N ATOM 234 CA GLY A 17 3.455 5.079 13.906 1.00 0.00 C ATOM 235 C GLY A 17 4.035 5.936 12.799 1.00 0.00 C ATOM 236 O GLY A 17 3.500 6.999 12.485 1.00 0.00 O ATOM 0 H GLY A 17 2.894 3.231 13.092 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.393 5.300 14.014 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.932 5.339 14.851 1.00 0.00 H new ATOM 240 N GLU A 18 5.132 5.474 12.207 1.00 0.00 N ATOM 241 CA GLU A 18 5.785 6.209 11.130 1.00 0.00 C ATOM 242 C GLU A 18 4.854 6.357 9.930 1.00 0.00 C ATOM 243 O GLU A 18 4.051 5.470 9.638 1.00 0.00 O ATOM 244 CB GLU A 18 7.072 5.499 10.706 1.00 0.00 C ATOM 245 CG GLU A 18 8.190 5.604 11.729 1.00 0.00 C ATOM 246 CD GLU A 18 8.324 7.000 12.306 1.00 0.00 C ATOM 247 OE1 GLU A 18 8.092 7.974 11.560 1.00 0.00 O ATOM 248 OE2 GLU A 18 8.660 7.118 13.503 1.00 0.00 O ATOM 0 H GLU A 18 5.587 4.595 12.455 1.00 0.00 H new ATOM 0 HA GLU A 18 6.032 7.204 11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.854 4.446 10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.415 5.920 9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.005 4.897 12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.132 5.316 11.263 1.00 0.00 H new ATOM 255 N LYS A 19 4.966 7.485 9.237 1.00 0.00 N ATOM 256 CA LYS A 19 4.136 7.752 8.068 1.00 0.00 C ATOM 257 C LYS A 19 4.969 8.335 6.931 1.00 0.00 C ATOM 258 O LYS A 19 5.955 9.034 7.167 1.00 0.00 O ATOM 259 CB LYS A 19 3.003 8.714 8.430 1.00 0.00 C ATOM 260 CG LYS A 19 2.082 8.188 9.517 1.00 0.00 C ATOM 261 CD LYS A 19 1.484 9.318 10.337 1.00 0.00 C ATOM 262 CE LYS A 19 0.460 8.801 11.335 1.00 0.00 C ATOM 263 NZ LYS A 19 -0.286 9.911 11.991 1.00 0.00 N ATOM 0 H LYS A 19 5.624 8.230 9.465 1.00 0.00 H new ATOM 0 HA LYS A 19 3.708 6.807 7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.432 9.661 8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.415 8.922 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.282 7.602 9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.637 7.517 10.172 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.278 9.843 10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.012 10.041 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.243 8.142 10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.963 8.203 12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.974 9.517 12.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.382 10.526 12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.787 10.467 11.269 1.00 0.00 H new ATOM 277 N ARG A 20 4.565 8.046 5.698 1.00 0.00 N ATOM 278 CA ARG A 20 5.275 8.542 4.525 1.00 0.00 C ATOM 279 C ARG A 20 4.358 8.567 3.306 1.00 0.00 C ATOM 280 O ARG A 20 3.891 7.524 2.847 1.00 0.00 O ATOM 281 CB ARG A 20 6.500 7.673 4.238 1.00 0.00 C ATOM 282 CG ARG A 20 7.766 8.158 4.926 1.00 0.00 C ATOM 283 CD ARG A 20 8.147 9.558 4.469 1.00 0.00 C ATOM 284 NE ARG A 20 9.590 9.774 4.514 1.00 0.00 N ATOM 285 CZ ARG A 20 10.416 9.430 3.532 1.00 0.00 C ATOM 286 NH1 ARG A 20 9.943 8.856 2.435 1.00 0.00 N ATOM 287 NH2 ARG A 20 11.718 9.660 3.647 1.00 0.00 N ATOM 0 H ARG A 20 3.750 7.471 5.486 1.00 0.00 H new ATOM 0 HA ARG A 20 5.603 9.561 4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.293 6.651 4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.670 7.644 3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.619 8.154 6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.584 7.469 4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.788 9.718 3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.650 10.294 5.102 1.00 0.00 H new ATOM 0 HE ARG A 20 9.986 10.213 5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.943 8.678 2.343 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.579 8.593 1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.085 10.101 4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.351 9.395 2.892 1.00 0.00 H new ATOM 301 N ILE A 21 4.105 9.764 2.786 1.00 0.00 N ATOM 302 CA ILE A 21 3.246 9.924 1.620 1.00 0.00 C ATOM 303 C ILE A 21 4.068 10.016 0.339 1.00 0.00 C ATOM 304 O ILE A 21 5.005 10.810 0.246 1.00 0.00 O ATOM 305 CB ILE A 21 2.361 11.179 1.741 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.401 11.041 2.924 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.590 11.409 0.450 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.801 12.356 3.371 1.00 0.00 C ATOM 0 H ILE A 21 4.483 10.637 3.154 1.00 0.00 H new ATOM 0 HA ILE A 21 2.607 9.042 1.575 1.00 0.00 H new ATOM 0 HB ILE A 21 3.002 12.042 1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.597 10.358 2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.932 10.590 3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.969 12.299 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.291 11.547 -0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.956 10.546 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.131 12.183 4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.598 13.035 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.242 12.799 2.547 1.00 0.00 H new ATOM 320 N LEU A 22 3.710 9.200 -0.646 1.00 0.00 N ATOM 321 CA LEU A 22 4.414 9.190 -1.924 1.00 0.00 C ATOM 322 C LEU A 22 3.527 9.735 -3.039 1.00 0.00 C ATOM 323 O LEU A 22 2.385 10.127 -2.799 1.00 0.00 O ATOM 324 CB LEU A 22 4.869 7.770 -2.268 1.00 0.00 C ATOM 325 CG LEU A 22 5.990 7.197 -1.401 1.00 0.00 C ATOM 326 CD1 LEU A 22 7.276 7.984 -1.601 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.585 7.199 0.066 1.00 0.00 C ATOM 0 H LEU A 22 2.937 8.537 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 22 5.289 9.834 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.007 7.107 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.198 7.757 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 22 6.168 6.166 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.062 7.561 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.576 7.930 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.112 9.025 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.395 6.788 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.379 8.221 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.690 6.590 0.197 1.00 0.00 H new ATOM 339 N GLN A 23 4.059 9.755 -4.256 1.00 0.00 N ATOM 340 CA GLN A 23 3.314 10.251 -5.407 1.00 0.00 C ATOM 341 C GLN A 23 3.556 9.373 -6.631 1.00 0.00 C ATOM 342 O GLN A 23 4.675 9.291 -7.137 1.00 0.00 O ATOM 343 CB GLN A 23 3.711 11.696 -5.715 1.00 0.00 C ATOM 344 CG GLN A 23 3.118 12.708 -4.748 1.00 0.00 C ATOM 345 CD GLN A 23 3.311 14.139 -5.210 1.00 0.00 C ATOM 346 OE1 GLN A 23 4.075 14.899 -4.613 1.00 0.00 O ATOM 347 NE2 GLN A 23 2.619 14.514 -6.280 1.00 0.00 N ATOM 0 H GLN A 23 5.003 9.434 -4.471 1.00 0.00 H new ATOM 0 HA GLN A 23 2.252 10.218 -5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.798 11.778 -5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.393 11.944 -6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.053 12.509 -4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.578 12.581 -3.768 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.998 13.851 -6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.709 15.465 -6.638 1.00 0.00 H new ATOM 356 N PHE A 24 2.500 8.719 -7.102 1.00 0.00 N ATOM 357 CA PHE A 24 2.597 7.846 -8.266 1.00 0.00 C ATOM 358 C PHE A 24 1.703 8.345 -9.397 1.00 0.00 C ATOM 359 O PHE A 24 0.475 8.298 -9.318 1.00 0.00 O ATOM 360 CB PHE A 24 2.212 6.414 -7.890 1.00 0.00 C ATOM 361 CG PHE A 24 2.993 5.868 -6.729 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.591 6.120 -5.427 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.128 5.103 -6.939 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.309 5.620 -4.357 1.00 0.00 C ATOM 365 CE2 PHE A 24 4.850 4.599 -5.873 1.00 0.00 C ATOM 366 CZ PHE A 24 4.439 4.857 -4.580 1.00 0.00 C ATOM 0 H PHE A 24 1.566 8.777 -6.695 1.00 0.00 H new ATOM 0 HA PHE A 24 3.631 7.858 -8.612 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.149 6.383 -7.649 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.362 5.767 -8.755 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.707 6.714 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.453 4.897 -7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.987 5.826 -3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.734 4.005 -6.051 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.000 4.463 -3.745 1.00 0.00 H new ATOM 376 N PRO A 25 2.332 8.836 -10.475 1.00 0.00 N ATOM 377 CA PRO A 25 1.613 9.354 -11.643 1.00 0.00 C ATOM 378 C PRO A 25 0.915 8.250 -12.431 1.00 0.00 C ATOM 379 O PRO A 25 1.564 7.349 -12.963 1.00 0.00 O ATOM 380 CB PRO A 25 2.719 9.994 -12.485 1.00 0.00 C ATOM 381 CG PRO A 25 3.961 9.273 -12.090 1.00 0.00 C ATOM 382 CD PRO A 25 3.793 8.923 -10.638 1.00 0.00 C ATOM 0 HA PRO A 25 0.820 10.046 -11.359 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.519 9.884 -13.551 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.801 11.062 -12.285 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.100 8.376 -12.694 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.840 9.899 -12.241 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.282 7.980 -10.393 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.225 9.684 -9.989 1.00 0.00 H new ATOM 390 N ARG A 26 -0.410 8.327 -12.502 1.00 0.00 N ATOM 391 CA ARG A 26 -1.195 7.333 -13.224 1.00 0.00 C ATOM 392 C ARG A 26 -0.708 7.198 -14.664 1.00 0.00 C ATOM 393 O ARG A 26 -0.254 8.159 -15.284 1.00 0.00 O ATOM 394 CB ARG A 26 -2.676 7.714 -13.209 1.00 0.00 C ATOM 395 CG ARG A 26 -3.398 7.301 -11.936 1.00 0.00 C ATOM 396 CD ARG A 26 -4.812 7.860 -11.892 1.00 0.00 C ATOM 397 NE ARG A 26 -4.855 9.194 -11.298 1.00 0.00 N ATOM 398 CZ ARG A 26 -5.936 9.707 -10.723 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.058 9.003 -10.663 1.00 0.00 N ATOM 400 NH2 ARG A 26 -5.897 10.928 -10.205 1.00 0.00 N ATOM 0 H ARG A 26 -0.962 9.067 -12.069 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.069 6.373 -12.724 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.766 8.793 -13.334 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.170 7.252 -14.063 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.433 6.213 -11.873 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.839 7.653 -11.069 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.218 7.900 -12.903 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.450 7.187 -11.319 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.008 9.762 -11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.093 8.064 -11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.886 9.401 -10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.036 11.473 -10.248 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.728 11.321 -9.763 1.00 0.00 H new ATOM 414 N PRO A 27 -0.804 5.976 -15.209 1.00 0.00 N ATOM 415 CA PRO A 27 -1.343 4.824 -14.479 1.00 0.00 C ATOM 416 C PRO A 27 -0.415 4.360 -13.362 1.00 0.00 C ATOM 417 O PRO A 27 0.783 4.173 -13.574 1.00 0.00 O ATOM 418 CB PRO A 27 -1.462 3.745 -15.558 1.00 0.00 C ATOM 419 CG PRO A 27 -0.449 4.122 -16.584 1.00 0.00 C ATOM 420 CD PRO A 27 -0.394 5.624 -16.578 1.00 0.00 C ATOM 0 HA PRO A 27 -2.286 5.059 -13.986 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.263 2.754 -15.150 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.465 3.719 -15.983 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.525 3.695 -16.346 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.731 3.746 -17.567 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.608 5.990 -16.804 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.066 6.053 -17.321 1.00 0.00 H new ATOM 428 N VAL A 28 -0.976 4.175 -12.171 1.00 0.00 N ATOM 429 CA VAL A 28 -0.199 3.731 -11.020 1.00 0.00 C ATOM 430 C VAL A 28 0.022 2.223 -11.055 1.00 0.00 C ATOM 431 O VAL A 28 -0.887 1.458 -11.376 1.00 0.00 O ATOM 432 CB VAL A 28 -0.892 4.107 -9.697 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.099 3.579 -8.510 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.073 5.614 -9.599 1.00 0.00 C ATOM 0 H VAL A 28 -1.966 4.326 -11.978 1.00 0.00 H new ATOM 0 HA VAL A 28 0.765 4.238 -11.074 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.879 3.644 -9.680 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.604 3.854 -7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.026 2.493 -8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.902 4.011 -8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.564 5.861 -8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.099 6.101 -9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.686 5.962 -10.430 1.00 0.00 H new ATOM 444 N LYS A 29 1.237 1.801 -10.722 1.00 0.00 N ATOM 445 CA LYS A 29 1.580 0.384 -10.713 1.00 0.00 C ATOM 446 C LYS A 29 1.750 -0.125 -9.286 1.00 0.00 C ATOM 447 O LYS A 29 2.264 0.584 -8.420 1.00 0.00 O ATOM 448 CB LYS A 29 2.866 0.144 -11.508 1.00 0.00 C ATOM 449 CG LYS A 29 2.828 0.719 -12.914 1.00 0.00 C ATOM 450 CD LYS A 29 2.262 -0.279 -13.910 1.00 0.00 C ATOM 451 CE LYS A 29 0.753 -0.142 -14.040 1.00 0.00 C ATOM 452 NZ LYS A 29 0.106 -1.439 -14.383 1.00 0.00 N ATOM 0 H LYS A 29 2.001 2.421 -10.454 1.00 0.00 H new ATOM 0 HA LYS A 29 0.763 -0.165 -11.181 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.705 0.583 -10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.051 -0.928 -11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.222 1.625 -12.921 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.835 1.006 -13.218 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.727 -0.127 -14.884 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.510 -1.292 -13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.340 0.233 -13.104 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.520 0.595 -14.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.849 -1.470 -13.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.040 -1.532 -15.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.674 -2.222 -14.001 1.00 0.00 H new ATOM 466 N LEU A 30 1.317 -1.358 -9.047 1.00 0.00 N ATOM 467 CA LEU A 30 1.422 -1.964 -7.724 1.00 0.00 C ATOM 468 C LEU A 30 2.882 -2.109 -7.307 1.00 0.00 C ATOM 469 O LEU A 30 3.233 -1.871 -6.152 1.00 0.00 O ATOM 470 CB LEU A 30 0.738 -3.332 -7.712 1.00 0.00 C ATOM 471 CG LEU A 30 0.918 -4.161 -6.440 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.168 -3.526 -5.279 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.446 -5.590 -6.663 1.00 0.00 C ATOM 0 H LEU A 30 0.890 -1.958 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 30 0.922 -1.309 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.329 -3.184 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.114 -3.911 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 30 1.979 -4.184 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.307 -4.130 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.552 -2.521 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.894 -3.472 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.582 -6.165 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.609 -5.586 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.027 -6.044 -7.466 1.00 0.00 H new ATOM 485 N GLU A 31 3.728 -2.498 -8.255 1.00 0.00 N ATOM 486 CA GLU A 31 5.150 -2.673 -7.985 1.00 0.00 C ATOM 487 C GLU A 31 5.781 -1.362 -7.525 1.00 0.00 C ATOM 488 O GLU A 31 6.630 -1.349 -6.633 1.00 0.00 O ATOM 489 CB GLU A 31 5.870 -3.187 -9.234 1.00 0.00 C ATOM 490 CG GLU A 31 6.239 -2.091 -10.219 1.00 0.00 C ATOM 491 CD GLU A 31 7.135 -2.588 -11.337 1.00 0.00 C ATOM 492 OE1 GLU A 31 6.647 -3.358 -12.190 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.324 -2.207 -11.357 1.00 0.00 O ATOM 0 H GLU A 31 3.453 -2.698 -9.217 1.00 0.00 H new ATOM 0 HA GLU A 31 5.254 -3.407 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.776 -3.711 -8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.233 -3.916 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.329 -1.671 -10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.742 -1.284 -9.687 1.00 0.00 H new ATOM 500 N ASP A 32 5.361 -0.262 -8.139 1.00 0.00 N ATOM 501 CA ASP A 32 5.884 1.055 -7.793 1.00 0.00 C ATOM 502 C ASP A 32 5.644 1.364 -6.318 1.00 0.00 C ATOM 503 O ASP A 32 6.569 1.729 -5.591 1.00 0.00 O ATOM 504 CB ASP A 32 5.234 2.131 -8.664 1.00 0.00 C ATOM 505 CG ASP A 32 5.937 2.298 -9.997 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.404 1.283 -10.554 1.00 0.00 O ATOM 507 OD2 ASP A 32 6.019 3.445 -10.484 1.00 0.00 O ATOM 0 H ASP A 32 4.659 -0.256 -8.879 1.00 0.00 H new ATOM 0 HA ASP A 32 6.959 1.051 -7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.189 1.872 -8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.243 3.081 -8.130 1.00 0.00 H new ATOM 512 N LEU A 33 4.398 1.217 -5.883 1.00 0.00 N ATOM 513 CA LEU A 33 4.036 1.481 -4.495 1.00 0.00 C ATOM 514 C LEU A 33 5.001 0.787 -3.539 1.00 0.00 C ATOM 515 O LEU A 33 5.470 1.387 -2.572 1.00 0.00 O ATOM 516 CB LEU A 33 2.605 1.014 -4.222 1.00 0.00 C ATOM 517 CG LEU A 33 1.491 1.945 -4.703 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.208 1.164 -4.941 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.259 3.062 -3.696 1.00 0.00 C ATOM 0 H LEU A 33 3.621 0.916 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 33 4.098 2.556 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.466 0.041 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.491 0.868 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 33 1.800 2.392 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.573 1.843 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.382 0.400 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.106 0.688 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.463 3.715 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.972 2.633 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.176 3.639 -3.576 1.00 0.00 H new ATOM 531 N ARG A 34 5.293 -0.479 -3.817 1.00 0.00 N ATOM 532 CA ARG A 34 6.203 -1.254 -2.983 1.00 0.00 C ATOM 533 C ARG A 34 7.617 -0.685 -3.045 1.00 0.00 C ATOM 534 O ARG A 34 8.232 -0.408 -2.015 1.00 0.00 O ATOM 535 CB ARG A 34 6.212 -2.719 -3.425 1.00 0.00 C ATOM 536 CG ARG A 34 4.834 -3.362 -3.429 1.00 0.00 C ATOM 537 CD ARG A 34 4.924 -4.869 -3.613 1.00 0.00 C ATOM 538 NE ARG A 34 5.078 -5.567 -2.339 1.00 0.00 N ATOM 539 CZ ARG A 34 5.573 -6.795 -2.230 1.00 0.00 C ATOM 540 NH1 ARG A 34 5.960 -7.456 -3.312 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.683 -7.364 -1.036 1.00 0.00 N ATOM 0 H ARG A 34 4.912 -0.990 -4.614 1.00 0.00 H new ATOM 0 HA ARG A 34 5.851 -1.194 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.638 -2.785 -4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.866 -3.286 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.324 -3.138 -2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.233 -2.932 -4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.026 -5.227 -4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.768 -5.106 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 34 4.790 -5.086 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.878 -7.022 -4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.340 -8.399 -3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.387 -6.858 -0.201 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.063 -8.307 -0.953 1.00 0.00 H new ATOM 555 N SER A 35 8.127 -0.512 -4.261 1.00 0.00 N ATOM 556 CA SER A 35 9.470 0.020 -4.458 1.00 0.00 C ATOM 557 C SER A 35 9.710 1.233 -3.565 1.00 0.00 C ATOM 558 O SER A 35 10.637 1.250 -2.755 1.00 0.00 O ATOM 559 CB SER A 35 9.680 0.402 -5.924 1.00 0.00 C ATOM 560 OG SER A 35 11.050 0.334 -6.278 1.00 0.00 O ATOM 0 H SER A 35 7.630 -0.733 -5.124 1.00 0.00 H new ATOM 0 HA SER A 35 10.185 -0.756 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.103 -0.266 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.306 1.411 -6.097 1.00 0.00 H new ATOM 0 HG SER A 35 11.157 0.581 -7.220 1.00 0.00 H new ATOM 566 N LYS A 36 8.867 2.249 -3.718 1.00 0.00 N ATOM 567 CA LYS A 36 8.984 3.468 -2.927 1.00 0.00 C ATOM 568 C LYS A 36 8.963 3.151 -1.435 1.00 0.00 C ATOM 569 O LYS A 36 9.939 3.394 -0.725 1.00 0.00 O ATOM 570 CB LYS A 36 7.849 4.434 -3.270 1.00 0.00 C ATOM 571 CG LYS A 36 7.740 4.743 -4.753 1.00 0.00 C ATOM 572 CD LYS A 36 9.005 5.399 -5.280 1.00 0.00 C ATOM 573 CE LYS A 36 9.150 6.823 -4.765 1.00 0.00 C ATOM 574 NZ LYS A 36 10.501 7.381 -5.050 1.00 0.00 N ATOM 0 H LYS A 36 8.094 2.252 -4.384 1.00 0.00 H new ATOM 0 HA LYS A 36 9.937 3.938 -3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.906 4.010 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.998 5.365 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.550 3.822 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.888 5.401 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.873 4.812 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.986 5.405 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.391 7.455 -5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.969 6.841 -3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.560 8.353 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.224 6.793 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.664 7.388 -6.077 1.00 0.00 H new ATOM 588 N ALA A 37 7.845 2.607 -0.966 1.00 0.00 N ATOM 589 CA ALA A 37 7.699 2.254 0.441 1.00 0.00 C ATOM 590 C ALA A 37 8.929 1.512 0.952 1.00 0.00 C ATOM 591 O ALA A 37 9.264 1.583 2.134 1.00 0.00 O ATOM 592 CB ALA A 37 6.448 1.412 0.647 1.00 0.00 C ATOM 0 H ALA A 37 7.027 2.401 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 37 7.601 3.177 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.352 1.156 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.572 1.978 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.523 0.498 0.057 1.00 0.00 H new ATOM 598 N LYS A 38 9.599 0.798 0.053 1.00 0.00 N ATOM 599 CA LYS A 38 10.793 0.042 0.411 1.00 0.00 C ATOM 600 C LYS A 38 12.016 0.952 0.468 1.00 0.00 C ATOM 601 O LYS A 38 12.928 0.732 1.266 1.00 0.00 O ATOM 602 CB LYS A 38 11.029 -1.086 -0.596 1.00 0.00 C ATOM 603 CG LYS A 38 12.325 -1.844 -0.368 1.00 0.00 C ATOM 604 CD LYS A 38 12.672 -2.726 -1.555 1.00 0.00 C ATOM 605 CE LYS A 38 14.101 -3.240 -1.469 1.00 0.00 C ATOM 606 NZ LYS A 38 14.417 -4.186 -2.576 1.00 0.00 N ATOM 0 H LYS A 38 9.335 0.727 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 38 10.637 -0.389 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.195 -1.786 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.035 -0.668 -1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.135 -1.136 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.236 -2.458 0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.983 -3.569 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.542 -2.162 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.793 -2.398 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.251 -3.738 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.399 -4.514 -2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.774 -5.002 -2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.299 -3.703 -3.490 1.00 0.00 H new ATOM 620 N ILE A 39 12.028 1.973 -0.382 1.00 0.00 N ATOM 621 CA ILE A 39 13.138 2.916 -0.426 1.00 0.00 C ATOM 622 C ILE A 39 13.078 3.892 0.744 1.00 0.00 C ATOM 623 O ILE A 39 14.108 4.315 1.267 1.00 0.00 O ATOM 624 CB ILE A 39 13.147 3.714 -1.744 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.292 2.767 -2.937 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.272 4.739 -1.735 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.657 3.293 -4.206 1.00 0.00 C ATOM 0 H ILE A 39 11.282 2.168 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 39 14.053 2.328 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 39 12.199 4.244 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.351 2.584 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.841 1.807 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.265 5.295 -2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.129 5.429 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.228 4.228 -1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.798 2.571 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.591 3.449 -4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.124 4.238 -4.482 1.00 0.00 H new ATOM 639 N ALA A 40 11.863 4.242 1.153 1.00 0.00 N ATOM 640 CA ALA A 40 11.667 5.165 2.265 1.00 0.00 C ATOM 641 C ALA A 40 12.092 4.530 3.585 1.00 0.00 C ATOM 642 O ALA A 40 12.761 5.163 4.402 1.00 0.00 O ATOM 643 CB ALA A 40 10.213 5.608 2.333 1.00 0.00 C ATOM 0 H ALA A 40 10.999 3.900 0.731 1.00 0.00 H new ATOM 0 HA ALA A 40 12.294 6.040 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.081 6.297 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.941 6.108 1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.574 4.737 2.477 1.00 0.00 H new ATOM 649 N PHE A 41 11.698 3.278 3.788 1.00 0.00 N ATOM 650 CA PHE A 41 12.037 2.558 5.010 1.00 0.00 C ATOM 651 C PHE A 41 13.284 1.702 4.810 1.00 0.00 C ATOM 652 O PHE A 41 14.160 1.650 5.671 1.00 0.00 O ATOM 653 CB PHE A 41 10.865 1.679 5.451 1.00 0.00 C ATOM 654 CG PHE A 41 9.682 2.460 5.946 1.00 0.00 C ATOM 655 CD1 PHE A 41 8.882 3.166 5.063 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.370 2.489 7.296 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.792 3.886 5.515 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.282 3.206 7.754 1.00 0.00 C ATOM 659 CZ PHE A 41 7.492 3.907 6.863 1.00 0.00 C ATOM 0 H PHE A 41 11.143 2.740 3.122 1.00 0.00 H new ATOM 0 HA PHE A 41 12.244 3.292 5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.554 1.056 4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.202 1.007 6.240 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.113 3.154 4.008 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.985 1.945 7.998 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.176 4.431 4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.049 3.219 8.808 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.642 4.470 7.220 1.00 0.00 H new ATOM 669 N GLY A 42 13.355 1.030 3.665 1.00 0.00 N ATOM 670 CA GLY A 42 14.496 0.183 3.371 1.00 0.00 C ATOM 671 C GLY A 42 14.188 -1.290 3.551 1.00 0.00 C ATOM 672 O GLY A 42 15.065 -2.073 3.914 1.00 0.00 O ATOM 0 H GLY A 42 12.642 1.057 2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.821 0.360 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.326 0.459 4.021 1.00 0.00 H new ATOM 676 N GLN A 43 12.939 -1.666 3.299 1.00 0.00 N ATOM 677 CA GLN A 43 12.517 -3.055 3.439 1.00 0.00 C ATOM 678 C GLN A 43 11.357 -3.369 2.500 1.00 0.00 C ATOM 679 O GLN A 43 10.602 -2.478 2.111 1.00 0.00 O ATOM 680 CB GLN A 43 12.111 -3.344 4.885 1.00 0.00 C ATOM 681 CG GLN A 43 13.259 -3.834 5.753 1.00 0.00 C ATOM 682 CD GLN A 43 12.858 -4.015 7.203 1.00 0.00 C ATOM 683 OE1 GLN A 43 12.472 -5.108 7.621 1.00 0.00 O ATOM 684 NE2 GLN A 43 12.948 -2.943 7.981 1.00 0.00 N ATOM 0 H GLN A 43 12.202 -1.029 2.997 1.00 0.00 H new ATOM 0 HA GLN A 43 13.360 -3.693 3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.695 -2.438 5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.319 -4.093 4.888 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.627 -4.782 5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.083 -3.123 5.694 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.273 -2.057 7.593 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.692 -3.005 8.967 1.00 0.00 H new ATOM 693 N SER A 44 11.221 -4.641 2.140 1.00 0.00 N ATOM 694 CA SER A 44 10.154 -5.072 1.243 1.00 0.00 C ATOM 695 C SER A 44 8.855 -5.292 2.011 1.00 0.00 C ATOM 696 O SER A 44 8.105 -6.227 1.728 1.00 0.00 O ATOM 697 CB SER A 44 10.557 -6.358 0.519 1.00 0.00 C ATOM 698 OG SER A 44 11.227 -6.070 -0.697 1.00 0.00 O ATOM 0 H SER A 44 11.836 -5.391 2.455 1.00 0.00 H new ATOM 0 HA SER A 44 9.991 -4.285 0.507 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.204 -6.954 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.670 -6.958 0.316 1.00 0.00 H new ATOM 0 HG SER A 44 11.476 -6.908 -1.140 1.00 0.00 H new ATOM 704 N MET A 45 8.595 -4.425 2.984 1.00 0.00 N ATOM 705 CA MET A 45 7.386 -4.524 3.793 1.00 0.00 C ATOM 706 C MET A 45 6.151 -4.668 2.909 1.00 0.00 C ATOM 707 O MET A 45 6.153 -4.250 1.751 1.00 0.00 O ATOM 708 CB MET A 45 7.244 -3.292 4.689 1.00 0.00 C ATOM 709 CG MET A 45 7.428 -1.977 3.950 1.00 0.00 C ATOM 710 SD MET A 45 7.849 -0.614 5.051 1.00 0.00 S ATOM 711 CE MET A 45 9.193 -1.338 5.988 1.00 0.00 C ATOM 0 H MET A 45 9.205 -3.646 3.231 1.00 0.00 H new ATOM 0 HA MET A 45 7.469 -5.412 4.419 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.258 -3.303 5.154 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.977 -3.352 5.494 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.214 -2.091 3.203 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.511 -1.735 3.413 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.972 -0.591 6.144 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.820 -1.680 6.953 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.606 -2.184 5.438 1.00 0.00 H new ATOM 721 N ASP A 46 5.099 -5.262 3.462 1.00 0.00 N ATOM 722 CA ASP A 46 3.857 -5.460 2.723 1.00 0.00 C ATOM 723 C ASP A 46 3.061 -4.161 2.639 1.00 0.00 C ATOM 724 O ASP A 46 3.312 -3.217 3.390 1.00 0.00 O ATOM 725 CB ASP A 46 3.012 -6.548 3.388 1.00 0.00 C ATOM 726 CG ASP A 46 3.318 -7.931 2.845 1.00 0.00 C ATOM 727 OD1 ASP A 46 4.472 -8.386 2.995 1.00 0.00 O ATOM 728 OD2 ASP A 46 2.404 -8.558 2.271 1.00 0.00 O ATOM 0 H ASP A 46 5.081 -5.615 4.419 1.00 0.00 H new ATOM 0 HA ASP A 46 4.111 -5.775 1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.189 -6.535 4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.955 -6.327 3.237 1.00 0.00 H new ATOM 733 N LEU A 47 2.102 -4.120 1.721 1.00 0.00 N ATOM 734 CA LEU A 47 1.269 -2.936 1.538 1.00 0.00 C ATOM 735 C LEU A 47 -0.206 -3.274 1.724 1.00 0.00 C ATOM 736 O LEU A 47 -0.849 -3.815 0.824 1.00 0.00 O ATOM 737 CB LEU A 47 1.496 -2.340 0.148 1.00 0.00 C ATOM 738 CG LEU A 47 2.645 -1.338 0.026 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.979 -2.023 0.283 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.637 -0.681 -1.346 1.00 0.00 C ATOM 0 H LEU A 47 1.882 -4.892 1.092 1.00 0.00 H new ATOM 0 HA LEU A 47 1.552 -2.202 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.677 -3.157 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.576 -1.848 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 47 2.506 -0.562 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.785 -1.295 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.983 -2.446 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.125 -2.820 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.461 0.029 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.751 -1.444 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.693 -0.156 -1.492 1.00 0.00 H new ATOM 752 N HIS A 48 -0.738 -2.950 2.899 1.00 0.00 N ATOM 753 CA HIS A 48 -2.140 -3.217 3.203 1.00 0.00 C ATOM 754 C HIS A 48 -2.941 -1.919 3.255 1.00 0.00 C ATOM 755 O HIS A 48 -2.748 -1.096 4.150 1.00 0.00 O ATOM 756 CB HIS A 48 -2.263 -3.960 4.533 1.00 0.00 C ATOM 757 CG HIS A 48 -1.741 -5.364 4.485 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.601 -5.720 3.797 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.211 -6.502 5.047 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.392 -7.017 3.936 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.355 -7.515 4.691 1.00 0.00 N ATOM 0 H HIS A 48 -0.220 -2.503 3.655 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.546 -3.842 2.408 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.723 -3.406 5.301 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.311 -3.981 4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.095 -6.596 5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.426 -7.575 3.506 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.448 -8.493 4.965 1.00 0.00 H new ATOM 770 N TYR A 49 -3.838 -1.744 2.292 1.00 0.00 N ATOM 771 CA TYR A 49 -4.666 -0.546 2.227 1.00 0.00 C ATOM 772 C TYR A 49 -6.096 -0.847 2.663 1.00 0.00 C ATOM 773 O TYR A 49 -6.700 -1.825 2.222 1.00 0.00 O ATOM 774 CB TYR A 49 -4.663 0.025 0.808 1.00 0.00 C ATOM 775 CG TYR A 49 -5.809 -0.470 -0.046 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.763 -1.723 -0.645 1.00 0.00 C ATOM 777 CD2 TYR A 49 -6.936 0.315 -0.254 1.00 0.00 C ATOM 778 CE1 TYR A 49 -6.807 -2.179 -1.427 1.00 0.00 C ATOM 779 CE2 TYR A 49 -7.985 -0.134 -1.033 1.00 0.00 C ATOM 780 CZ TYR A 49 -7.916 -1.381 -1.617 1.00 0.00 C ATOM 781 OH TYR A 49 -8.958 -1.831 -2.395 1.00 0.00 O ATOM 0 H TYR A 49 -4.011 -2.417 1.545 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.246 0.192 2.910 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.705 1.113 0.863 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.722 -0.233 0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.897 -2.351 -0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.993 1.293 0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.755 -3.155 -1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.855 0.489 -1.184 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.748 -1.272 -2.240 1.00 0.00 H new ATOM 791 N THR A 50 -6.634 0.002 3.534 1.00 0.00 N ATOM 792 CA THR A 50 -7.992 -0.172 4.032 1.00 0.00 C ATOM 793 C THR A 50 -8.962 0.769 3.324 1.00 0.00 C ATOM 794 O THR A 50 -8.630 1.919 3.042 1.00 0.00 O ATOM 795 CB THR A 50 -8.070 0.076 5.550 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.806 1.454 5.836 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.075 -0.801 6.293 1.00 0.00 C ATOM 0 H THR A 50 -6.149 0.817 3.909 1.00 0.00 H new ATOM 0 HA THR A 50 -8.275 -1.204 3.825 1.00 0.00 H new ATOM 0 HB THR A 50 -9.075 -0.178 5.886 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.859 1.603 6.803 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.148 -0.608 7.363 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.297 -1.850 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.065 -0.574 5.952 1.00 0.00 H new ATOM 805 N ASN A 51 -10.161 0.271 3.041 1.00 0.00 N ATOM 806 CA ASN A 51 -11.179 1.068 2.366 1.00 0.00 C ATOM 807 C ASN A 51 -12.080 1.770 3.378 1.00 0.00 C ATOM 808 O ASN A 51 -12.013 2.986 3.546 1.00 0.00 O ATOM 809 CB ASN A 51 -12.021 0.183 1.444 1.00 0.00 C ATOM 810 CG ASN A 51 -13.315 0.853 1.024 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.522 2.041 1.273 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.194 0.092 0.382 1.00 0.00 N ATOM 0 H ASN A 51 -10.452 -0.680 3.268 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.674 1.827 1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.440 -0.069 0.556 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.248 -0.754 1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.082 0.488 0.074 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.981 -0.888 0.197 1.00 0.00 H new ATOM 819 N ASN A 52 -12.923 0.992 4.051 1.00 0.00 N ATOM 820 CA ASN A 52 -13.837 1.539 5.047 1.00 0.00 C ATOM 821 C ASN A 52 -13.610 0.889 6.409 1.00 0.00 C ATOM 822 O ASN A 52 -13.107 1.525 7.334 1.00 0.00 O ATOM 823 CB ASN A 52 -15.288 1.331 4.606 1.00 0.00 C ATOM 824 CG ASN A 52 -16.219 2.390 5.164 1.00 0.00 C ATOM 825 OD1 ASN A 52 -15.785 3.480 5.537 1.00 0.00 O ATOM 826 ND2 ASN A 52 -17.507 2.072 5.224 1.00 0.00 N ATOM 0 H ASN A 52 -12.992 -0.018 3.925 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.640 2.607 5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.339 1.343 3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.626 0.347 4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.182 2.744 5.591 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.822 1.156 4.903 1.00 0.00 H new ATOM 833 N GLU A 53 -13.984 -0.382 6.522 1.00 0.00 N ATOM 834 CA GLU A 53 -13.820 -1.117 7.770 1.00 0.00 C ATOM 835 C GLU A 53 -13.182 -2.480 7.520 1.00 0.00 C ATOM 836 O GLU A 53 -13.438 -3.441 8.247 1.00 0.00 O ATOM 837 CB GLU A 53 -15.173 -1.294 8.464 1.00 0.00 C ATOM 838 CG GLU A 53 -15.899 0.014 8.725 1.00 0.00 C ATOM 839 CD GLU A 53 -16.882 -0.084 9.876 1.00 0.00 C ATOM 840 OE1 GLU A 53 -17.777 -0.953 9.819 1.00 0.00 O ATOM 841 OE2 GLU A 53 -16.756 0.708 10.833 1.00 0.00 O ATOM 0 H GLU A 53 -14.402 -0.923 5.765 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.160 -0.540 8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.806 -1.935 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.021 -1.811 9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.169 0.794 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.431 0.316 7.823 1.00 0.00 H new ATOM 848 N LEU A 54 -12.351 -2.557 6.486 1.00 0.00 N ATOM 849 CA LEU A 54 -11.676 -3.802 6.138 1.00 0.00 C ATOM 850 C LEU A 54 -10.244 -3.536 5.686 1.00 0.00 C ATOM 851 O LEU A 54 -9.840 -2.387 5.511 1.00 0.00 O ATOM 852 CB LEU A 54 -12.445 -4.530 5.034 1.00 0.00 C ATOM 853 CG LEU A 54 -13.894 -4.896 5.355 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.587 -5.460 4.124 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.951 -5.892 6.504 1.00 0.00 C ATOM 0 H LEU A 54 -12.129 -1.772 5.874 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.646 -4.432 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.438 -3.905 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.907 -5.445 4.786 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.418 -3.990 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.617 -5.715 4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.578 -4.715 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.062 -6.355 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.990 -6.141 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.411 -6.797 6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.493 -5.452 7.390 1.00 0.00 H new ATOM 867 N VAL A 55 -9.480 -4.608 5.496 1.00 0.00 N ATOM 868 CA VAL A 55 -8.093 -4.491 5.061 1.00 0.00 C ATOM 869 C VAL A 55 -7.831 -5.346 3.826 1.00 0.00 C ATOM 870 O VAL A 55 -8.179 -6.527 3.791 1.00 0.00 O ATOM 871 CB VAL A 55 -7.118 -4.909 6.177 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.678 -4.714 5.729 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.399 -4.126 7.451 1.00 0.00 C ATOM 0 H VAL A 55 -9.798 -5.567 5.637 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.925 -3.442 4.816 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.267 -5.968 6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.004 -5.015 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.486 -5.323 4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.511 -3.664 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.701 -4.434 8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.279 -3.060 7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.419 -4.322 7.781 1.00 0.00 H new ATOM 883 N ILE A 56 -7.216 -4.742 2.815 1.00 0.00 N ATOM 884 CA ILE A 56 -6.906 -5.448 1.578 1.00 0.00 C ATOM 885 C ILE A 56 -5.409 -5.419 1.289 1.00 0.00 C ATOM 886 O ILE A 56 -4.848 -4.397 0.894 1.00 0.00 O ATOM 887 CB ILE A 56 -7.661 -4.843 0.380 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.126 -4.595 0.745 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.560 -5.762 -0.828 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.374 -3.233 1.356 1.00 0.00 C ATOM 0 H ILE A 56 -6.922 -3.765 2.828 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.227 -6.481 1.715 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.202 -3.888 0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.738 -4.699 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.453 -5.364 1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.099 -5.321 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.512 -5.894 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.997 -6.731 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.433 -3.126 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.789 -3.132 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.079 -2.458 0.649 1.00 0.00 H new ATOM 902 N PRO A 57 -4.746 -6.567 1.488 1.00 0.00 N ATOM 903 CA PRO A 57 -3.305 -6.700 1.252 1.00 0.00 C ATOM 904 C PRO A 57 -2.952 -6.638 -0.230 1.00 0.00 C ATOM 905 O PRO A 57 -3.044 -7.639 -0.943 1.00 0.00 O ATOM 906 CB PRO A 57 -2.978 -8.082 1.823 1.00 0.00 C ATOM 907 CG PRO A 57 -4.259 -8.837 1.744 1.00 0.00 C ATOM 908 CD PRO A 57 -5.350 -7.825 1.958 1.00 0.00 C ATOM 0 HA PRO A 57 -2.740 -5.889 1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.193 -8.573 1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.623 -8.012 2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.365 -9.326 0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.298 -9.619 2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.247 -8.076 1.392 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.641 -7.764 3.007 1.00 0.00 H new ATOM 916 N LEU A 58 -2.548 -5.459 -0.689 1.00 0.00 N ATOM 917 CA LEU A 58 -2.180 -5.267 -2.088 1.00 0.00 C ATOM 918 C LEU A 58 -1.111 -6.270 -2.512 1.00 0.00 C ATOM 919 O LEU A 58 0.075 -6.083 -2.238 1.00 0.00 O ATOM 920 CB LEU A 58 -1.675 -3.841 -2.312 1.00 0.00 C ATOM 921 CG LEU A 58 -2.750 -2.764 -2.459 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.239 -1.426 -1.946 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.194 -2.647 -3.909 1.00 0.00 C ATOM 0 H LEU A 58 -2.467 -4.621 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.068 -5.431 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.029 -3.570 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.056 -3.833 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.612 -3.055 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.018 -0.672 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.972 -1.518 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.360 -1.129 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.959 -1.876 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.339 -2.380 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.602 -3.601 -4.243 1.00 0.00 H new ATOM 935 N THR A 59 -1.539 -7.334 -3.185 1.00 0.00 N ATOM 936 CA THR A 59 -0.620 -8.365 -3.648 1.00 0.00 C ATOM 937 C THR A 59 -0.517 -8.367 -5.169 1.00 0.00 C ATOM 938 O THR A 59 0.579 -8.416 -5.729 1.00 0.00 O ATOM 939 CB THR A 59 -1.058 -9.763 -3.173 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.435 -9.982 -3.498 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.855 -9.913 -1.673 1.00 0.00 C ATOM 0 H THR A 59 -2.517 -7.504 -3.421 1.00 0.00 H new ATOM 0 HA THR A 59 0.356 -8.133 -3.221 1.00 0.00 H new ATOM 0 HB THR A 59 -0.443 -10.505 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.705 -10.874 -3.194 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.171 -10.908 -1.361 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.199 -9.775 -1.433 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.447 -9.163 -1.149 1.00 0.00 H new ATOM 949 N THR A 60 -1.666 -8.313 -5.836 1.00 0.00 N ATOM 950 CA THR A 60 -1.706 -8.309 -7.292 1.00 0.00 C ATOM 951 C THR A 60 -2.181 -6.963 -7.826 1.00 0.00 C ATOM 952 O THR A 60 -2.773 -6.170 -7.094 1.00 0.00 O ATOM 953 CB THR A 60 -2.629 -9.417 -7.832 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.968 -9.209 -7.368 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.142 -10.790 -7.392 1.00 0.00 C ATOM 0 H THR A 60 -2.582 -8.271 -5.389 1.00 0.00 H new ATOM 0 HA THR A 60 -0.688 -8.494 -7.636 1.00 0.00 H new ATOM 0 HB THR A 60 -2.612 -9.375 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.549 -9.917 -7.717 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.810 -11.556 -7.786 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.134 -10.957 -7.772 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.133 -10.841 -6.303 1.00 0.00 H new ATOM 963 N GLN A 61 -1.919 -6.712 -9.104 1.00 0.00 N ATOM 964 CA GLN A 61 -2.321 -5.460 -9.735 1.00 0.00 C ATOM 965 C GLN A 61 -3.832 -5.270 -9.652 1.00 0.00 C ATOM 966 O GLN A 61 -4.313 -4.198 -9.282 1.00 0.00 O ATOM 967 CB GLN A 61 -1.871 -5.433 -11.196 1.00 0.00 C ATOM 968 CG GLN A 61 -2.207 -4.135 -11.913 1.00 0.00 C ATOM 969 CD GLN A 61 -1.188 -3.043 -11.653 1.00 0.00 C ATOM 970 OE1 GLN A 61 -1.668 -1.855 -11.308 1.00 0.00 O flip ATOM 971 NE2 GLN A 61 0.018 -3.266 -11.762 1.00 0.00 N flip ATOM 0 H GLN A 61 -1.430 -7.359 -9.723 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.840 -4.641 -9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.794 -5.593 -11.239 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.338 -6.263 -11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.268 -4.322 -12.985 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.191 -3.792 -11.593 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.343 -4.195 -12.030 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.692 -2.522 -11.584 1.00 0.00 H new ATOM 980 N ASP A 62 -4.575 -6.315 -10.000 1.00 0.00 N ATOM 981 CA ASP A 62 -6.031 -6.263 -9.965 1.00 0.00 C ATOM 982 C ASP A 62 -6.519 -5.523 -8.723 1.00 0.00 C ATOM 983 O ASP A 62 -7.443 -4.712 -8.794 1.00 0.00 O ATOM 984 CB ASP A 62 -6.614 -7.677 -9.992 1.00 0.00 C ATOM 985 CG ASP A 62 -6.472 -8.335 -11.350 1.00 0.00 C ATOM 986 OD1 ASP A 62 -7.351 -8.115 -12.210 1.00 0.00 O ATOM 987 OD2 ASP A 62 -5.484 -9.071 -11.553 1.00 0.00 O ATOM 0 H ASP A 62 -4.192 -7.208 -10.310 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.371 -5.720 -10.847 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.113 -8.288 -9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.669 -7.638 -9.719 1.00 0.00 H new ATOM 992 N ASP A 63 -5.893 -5.808 -7.587 1.00 0.00 N ATOM 993 CA ASP A 63 -6.263 -5.169 -6.329 1.00 0.00 C ATOM 994 C ASP A 63 -6.015 -3.666 -6.389 1.00 0.00 C ATOM 995 O ASP A 63 -6.907 -2.866 -6.104 1.00 0.00 O ATOM 996 CB ASP A 63 -5.476 -5.783 -5.170 1.00 0.00 C ATOM 997 CG ASP A 63 -5.799 -7.249 -4.962 1.00 0.00 C ATOM 998 OD1 ASP A 63 -6.946 -7.651 -5.250 1.00 0.00 O ATOM 999 OD2 ASP A 63 -4.905 -7.996 -4.513 1.00 0.00 O ATOM 0 H ASP A 63 -5.127 -6.477 -7.511 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.327 -5.336 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.409 -5.673 -5.361 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.694 -5.233 -4.255 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.797 -3.287 -6.761 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.430 -1.878 -6.858 1.00 0.00 C ATOM 1006 C LEU A 64 -5.414 -1.119 -7.742 1.00 0.00 C ATOM 1007 O LEU A 64 -6.013 -0.132 -7.316 1.00 0.00 O ATOM 1008 CB LEU A 64 -3.012 -1.737 -7.415 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.625 -0.347 -7.920 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.675 0.666 -6.787 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.240 -0.376 -8.551 1.00 0.00 C ATOM 0 H LEU A 64 -4.047 -3.935 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.464 -1.449 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.307 -2.028 -6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.893 -2.446 -8.235 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.344 -0.045 -8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.396 1.649 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.685 0.707 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.979 0.369 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.981 0.622 -8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.509 -0.699 -7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.237 -1.071 -9.391 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.576 -1.587 -8.975 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.490 -0.954 -9.919 1.00 0.00 C ATOM 1025 C ASP A 65 -7.870 -0.767 -9.297 1.00 0.00 C ATOM 1026 O ASP A 65 -8.539 0.239 -9.534 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.601 -1.792 -11.194 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.880 -0.945 -12.420 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -7.832 -0.138 -12.380 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -6.146 -1.089 -13.420 1.00 0.00 O ATOM 0 H ASP A 65 -5.086 -2.402 -9.344 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.089 0.028 -10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.675 -2.347 -11.342 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.397 -2.527 -11.074 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.292 -1.744 -8.500 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.592 -1.688 -7.843 1.00 0.00 C ATOM 1037 C LYS A 66 -9.546 -0.776 -6.621 1.00 0.00 C ATOM 1038 O LYS A 66 -10.577 -0.291 -6.158 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.037 -3.092 -7.428 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.828 -3.821 -8.501 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.456 -5.095 -7.962 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.356 -5.754 -8.996 1.00 0.00 C ATOM 1043 NZ LYS A 66 -13.608 -4.977 -9.217 1.00 0.00 N ATOM 0 H LYS A 66 -7.752 -2.584 -8.294 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.312 -1.279 -8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.157 -3.682 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.645 -3.020 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.608 -3.165 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.172 -4.063 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.672 -5.791 -7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.035 -4.866 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.817 -5.850 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.608 -6.763 -8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.267 -5.537 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.049 -4.761 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.383 -4.090 -9.711 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.343 -0.547 -6.105 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.162 0.309 -4.939 1.00 0.00 C ATOM 1059 C ALA A 67 -7.994 1.768 -5.350 1.00 0.00 C ATOM 1060 O ALA A 67 -8.264 2.679 -4.567 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.962 -0.154 -4.125 1.00 0.00 C ATOM 0 H ALA A 67 -7.479 -0.942 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.057 0.234 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.839 0.494 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.122 -1.179 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.065 -0.109 -4.742 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.546 1.983 -6.583 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.343 3.331 -7.098 1.00 0.00 C ATOM 1069 C VAL A 68 -8.631 3.894 -7.689 1.00 0.00 C ATOM 1070 O VAL A 68 -8.920 5.083 -7.553 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.242 3.361 -8.175 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -6.060 4.771 -8.714 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.934 2.823 -7.614 1.00 0.00 C ATOM 0 H VAL A 68 -7.317 1.240 -7.244 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.033 3.948 -6.254 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.548 2.719 -9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.278 4.772 -9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.995 5.115 -9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.776 5.438 -7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.167 2.851 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.620 3.437 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.076 1.795 -7.282 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.402 3.032 -8.344 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.660 3.444 -8.955 1.00 0.00 C ATOM 1085 C GLU A 69 -11.690 3.804 -7.889 1.00 0.00 C ATOM 1086 O GLU A 69 -12.504 4.710 -8.077 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.205 2.330 -9.852 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.781 1.155 -9.081 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.586 0.218 -9.960 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -13.707 0.595 -10.360 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -12.093 -0.893 -10.249 1.00 0.00 O ATOM 0 H GLU A 69 -9.178 2.044 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.468 4.328 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.978 2.743 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.404 1.972 -10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.969 0.599 -8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.416 1.529 -8.278 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.650 3.090 -6.770 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.581 3.333 -5.673 1.00 0.00 C ATOM 1100 C LEU A 70 -12.212 4.607 -4.920 1.00 0.00 C ATOM 1101 O LEU A 70 -13.084 5.390 -4.539 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.589 2.143 -4.713 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.579 2.198 -3.566 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.018 3.209 -2.517 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.404 0.822 -2.942 1.00 0.00 C ATOM 0 H LEU A 70 -10.983 2.338 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.578 3.458 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.588 2.053 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.405 1.236 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.618 2.516 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.288 3.235 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.091 4.197 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.991 2.921 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.682 0.881 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.361 0.474 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.043 0.123 -3.697 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.917 4.810 -4.709 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.432 5.991 -4.003 1.00 0.00 C ATOM 1119 C LEU A 71 -10.902 7.268 -4.691 1.00 0.00 C ATOM 1120 O LEU A 71 -11.439 8.170 -4.048 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.905 5.972 -3.925 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.223 7.333 -3.778 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.612 7.984 -2.460 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.712 7.186 -3.877 1.00 0.00 C ATOM 0 H LEU A 71 -10.183 4.172 -5.017 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.841 5.973 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.612 5.348 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.521 5.491 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.559 7.977 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.118 8.951 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.692 8.124 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.305 7.343 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.243 8.164 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.358 6.526 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.450 6.762 -4.847 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.699 7.336 -6.002 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.105 8.502 -6.779 1.00 0.00 C ATOM 1138 C ASP A 72 -12.594 8.782 -6.600 1.00 0.00 C ATOM 1139 O ASP A 72 -12.981 9.838 -6.098 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.788 8.290 -8.260 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.768 9.590 -9.039 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.604 10.470 -8.746 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -9.917 9.727 -9.944 1.00 0.00 O ATOM 0 H ASP A 72 -10.256 6.598 -6.549 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.545 9.364 -6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.820 7.798 -8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.530 7.620 -8.695 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.424 7.831 -7.015 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.870 7.977 -6.902 1.00 0.00 C ATOM 1150 C ARG A 73 -15.274 8.300 -5.467 1.00 0.00 C ATOM 1151 O ARG A 73 -16.176 9.105 -5.231 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.571 6.698 -7.365 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.392 5.527 -6.411 1.00 0.00 C ATOM 1154 CD ARG A 73 -16.141 4.295 -6.896 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.572 4.381 -6.620 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.426 3.390 -6.850 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.994 2.243 -7.357 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.714 3.544 -6.573 1.00 0.00 N ATOM 0 H ARG A 73 -13.120 6.951 -7.432 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.177 8.804 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.636 6.900 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.188 6.418 -8.346 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.332 5.295 -6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.750 5.805 -5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.985 4.175 -7.968 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.731 3.408 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.936 5.250 -6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.004 2.121 -7.571 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.652 1.483 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.050 4.424 -6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.368 2.782 -6.750 1.00 0.00 H new ATOM 1172 N SER A 74 -14.602 7.667 -4.511 1.00 0.00 N ATOM 1173 CA SER A 74 -14.893 7.884 -3.099 1.00 0.00 C ATOM 1174 C SER A 74 -14.819 9.368 -2.751 1.00 0.00 C ATOM 1175 O SER A 74 -13.830 10.038 -3.049 1.00 0.00 O ATOM 1176 CB SER A 74 -13.915 7.095 -2.227 1.00 0.00 C ATOM 1177 OG SER A 74 -14.344 7.066 -0.877 1.00 0.00 O ATOM 0 H SER A 74 -13.852 6.999 -4.689 1.00 0.00 H new ATOM 0 HA SER A 74 -15.906 7.533 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.826 6.077 -2.605 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.924 7.545 -2.287 1.00 0.00 H new ATOM 0 HG SER A 74 -13.910 6.320 -0.412 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.872 9.874 -2.118 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.927 11.277 -1.728 1.00 0.00 C ATOM 1185 C ILE A 75 -15.270 11.496 -0.370 1.00 0.00 C ATOM 1186 O ILE A 75 -14.278 12.217 -0.256 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.378 11.790 -1.673 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -18.073 11.566 -3.018 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -17.405 13.264 -1.296 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -17.569 12.475 -4.117 1.00 0.00 C ATOM 0 H ILE A 75 -16.699 9.333 -1.864 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.381 11.837 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.917 11.230 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.932 10.529 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -19.145 11.719 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -18.437 13.612 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.944 13.398 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.853 13.840 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -18.106 12.261 -5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -17.734 13.515 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -16.503 12.306 -4.269 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.829 10.868 0.660 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.296 10.992 2.012 1.00 0.00 C ATOM 1204 C HIS A 76 -13.790 10.749 2.027 1.00 0.00 C ATOM 1205 O HIS A 76 -13.027 11.557 2.554 1.00 0.00 O ATOM 1206 CB HIS A 76 -15.993 10.006 2.950 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.073 8.614 2.403 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -15.172 7.623 2.732 1.00 0.00 N ATOM 1209 CD2 HIS A 76 -16.955 8.048 1.546 1.00 0.00 C ATOM 1210 CE1 HIS A 76 -15.496 6.509 2.100 1.00 0.00 C ATOM 1211 NE2 HIS A 76 -16.575 6.740 1.374 1.00 0.00 N ATOM 0 H HIS A 76 -16.651 10.268 0.584 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.486 12.008 2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.461 9.984 3.901 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.001 10.365 3.157 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.801 8.535 1.083 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -14.968 5.569 2.166 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.049 6.058 0.782 1.00 0.00 H new ATOM 1220 N MET A 77 -13.370 9.630 1.445 1.00 0.00 N ATOM 1221 CA MET A 77 -11.955 9.281 1.392 1.00 0.00 C ATOM 1222 C MET A 77 -11.167 10.329 0.613 1.00 0.00 C ATOM 1223 O MET A 77 -11.594 10.779 -0.451 1.00 0.00 O ATOM 1224 CB MET A 77 -11.771 7.905 0.749 1.00 0.00 C ATOM 1225 CG MET A 77 -10.399 7.300 0.992 1.00 0.00 C ATOM 1226 SD MET A 77 -10.432 5.497 1.036 1.00 0.00 S ATOM 1227 CE MET A 77 -9.423 5.105 -0.391 1.00 0.00 C ATOM 0 H MET A 77 -13.989 8.950 1.004 1.00 0.00 H new ATOM 0 HA MET A 77 -11.575 9.250 2.413 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.532 7.227 1.136 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.937 7.990 -0.325 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.718 7.628 0.207 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.003 7.675 1.935 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.436 4.028 -0.561 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.820 5.616 -1.269 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.399 5.432 -0.213 1.00 0.00 H new ATOM 1237 N LYS A 78 -10.013 10.714 1.149 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.163 11.708 0.504 1.00 0.00 C ATOM 1239 C LYS A 78 -8.024 11.038 -0.257 1.00 0.00 C ATOM 1240 O LYS A 78 -7.783 11.342 -1.426 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.596 12.676 1.545 1.00 0.00 C ATOM 1242 CG LYS A 78 -7.822 13.834 0.940 1.00 0.00 C ATOM 1243 CD LYS A 78 -6.349 13.496 0.777 1.00 0.00 C ATOM 1244 CE LYS A 78 -5.558 14.688 0.260 1.00 0.00 C ATOM 1245 NZ LYS A 78 -5.673 14.831 -1.218 1.00 0.00 N ATOM 0 H LYS A 78 -9.645 10.352 2.029 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.773 12.265 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.415 13.072 2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.942 12.126 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.247 14.089 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.926 14.714 1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.940 13.174 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.241 12.659 0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.916 15.598 0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.509 14.574 0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.120 15.654 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.308 13.973 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.671 14.965 -1.477 1.00 0.00 H new ATOM 1259 N SER A 79 -7.327 10.125 0.412 1.00 0.00 N ATOM 1260 CA SER A 79 -6.212 9.414 -0.202 1.00 0.00 C ATOM 1261 C SER A 79 -6.326 7.912 0.041 1.00 0.00 C ATOM 1262 O SER A 79 -7.264 7.445 0.688 1.00 0.00 O ATOM 1263 CB SER A 79 -4.883 9.932 0.352 1.00 0.00 C ATOM 1264 OG SER A 79 -4.867 9.884 1.768 1.00 0.00 O ATOM 0 H SER A 79 -7.515 9.860 1.379 1.00 0.00 H new ATOM 0 HA SER A 79 -6.245 9.594 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.062 9.334 -0.044 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.721 10.957 0.018 1.00 0.00 H new ATOM 0 HG SER A 79 -4.007 10.219 2.097 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.364 7.161 -0.483 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.354 5.710 -0.324 1.00 0.00 C ATOM 1272 C LEU A 80 -4.561 5.303 0.914 1.00 0.00 C ATOM 1273 O LEU A 80 -3.335 5.198 0.872 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.759 5.046 -1.567 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.938 3.530 -1.668 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.378 3.185 -2.015 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -3.984 2.949 -2.701 1.00 0.00 C ATOM 0 H LEU A 80 -4.581 7.532 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.384 5.375 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.207 5.504 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.692 5.269 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.704 3.090 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.487 2.103 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.041 3.568 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.640 3.636 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.125 1.870 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.186 3.395 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.956 3.165 -2.409 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.269 5.072 2.014 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.634 4.673 3.264 1.00 0.00 C ATOM 1291 C LYS A 81 -3.890 3.351 3.098 1.00 0.00 C ATOM 1292 O LYS A 81 -4.461 2.360 2.641 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.679 4.545 4.374 1.00 0.00 C ATOM 1294 CG LYS A 81 -5.078 4.396 5.761 1.00 0.00 C ATOM 1295 CD LYS A 81 -6.105 4.672 6.846 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.612 4.214 8.210 1.00 0.00 C ATOM 1297 NZ LYS A 81 -4.732 5.231 8.852 1.00 0.00 N ATOM 0 H LYS A 81 -6.284 5.154 2.065 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.914 5.444 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.323 5.425 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.313 3.683 4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.683 3.387 5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.238 5.082 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.325 5.739 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.037 4.161 6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.466 4.013 8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.066 3.277 8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.282 4.819 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.998 5.529 8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.301 6.055 9.132 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.615 3.344 3.472 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.796 2.143 3.367 1.00 0.00 C ATOM 1313 C ILE A 82 -1.186 1.773 4.715 1.00 0.00 C ATOM 1314 O ILE A 82 -0.922 2.641 5.548 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.665 2.322 2.337 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.244 2.696 0.971 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.165 1.051 2.235 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -1.972 1.558 0.290 1.00 0.00 C ATOM 0 H ILE A 82 -2.127 4.156 3.850 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.455 1.340 3.037 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.016 3.132 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.930 3.534 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.436 3.038 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.960 1.193 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.603 0.823 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.473 0.224 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.356 1.896 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.284 0.727 0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.802 1.230 0.916 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.962 0.480 4.922 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.381 -0.005 6.169 1.00 0.00 C ATOM 1332 C LEU A 83 0.816 -0.910 5.896 1.00 0.00 C ATOM 1333 O LEU A 83 0.657 -2.061 5.486 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.432 -0.762 6.983 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.495 0.096 7.671 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.865 0.962 8.750 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.226 0.957 6.651 1.00 0.00 C ATOM 0 H LEU A 83 -1.174 -0.251 4.243 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.038 0.857 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.935 -1.468 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.919 -1.349 7.745 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.220 -0.566 8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.636 1.566 9.229 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.388 0.325 9.495 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.118 1.617 8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.979 1.561 7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.513 1.611 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.711 0.316 5.914 1.00 0.00 H new ATOM 1349 N LEU A 84 2.014 -0.384 6.126 1.00 0.00 N ATOM 1350 CA LEU A 84 3.239 -1.144 5.907 1.00 0.00 C ATOM 1351 C LEU A 84 3.445 -2.175 7.013 1.00 0.00 C ATOM 1352 O LEU A 84 3.446 -1.839 8.197 1.00 0.00 O ATOM 1353 CB LEU A 84 4.442 -0.203 5.841 1.00 0.00 C ATOM 1354 CG LEU A 84 4.345 0.942 4.832 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.461 1.950 5.058 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.389 0.404 3.409 1.00 0.00 C ATOM 0 H LEU A 84 2.163 0.567 6.464 1.00 0.00 H new ATOM 0 HA LEU A 84 3.146 -1.671 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.598 0.225 6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.327 -0.794 5.606 1.00 0.00 H new ATOM 0 HG LEU A 84 3.391 1.449 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.375 2.757 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.383 2.359 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.426 1.457 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.319 1.233 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.327 -0.129 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.553 -0.278 3.252 1.00 0.00 H new ATOM 1368 N VAL A 85 3.621 -3.432 6.618 1.00 0.00 N ATOM 1369 CA VAL A 85 3.832 -4.511 7.575 1.00 0.00 C ATOM 1370 C VAL A 85 5.084 -5.312 7.234 1.00 0.00 C ATOM 1371 O VAL A 85 5.166 -5.934 6.174 1.00 0.00 O ATOM 1372 CB VAL A 85 2.623 -5.465 7.620 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.865 -6.586 8.619 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.354 -4.700 7.963 1.00 0.00 C ATOM 0 H VAL A 85 3.622 -3.728 5.642 1.00 0.00 H new ATOM 0 HA VAL A 85 3.957 -4.046 8.553 1.00 0.00 H new ATOM 0 HB VAL A 85 2.496 -5.910 6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.001 -7.250 8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.750 -7.150 8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.018 -6.162 9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.510 -5.389 7.991 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.467 -4.226 8.938 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.174 -3.936 7.207 1.00 0.00 H new ATOM 1384 N ILE A 86 6.057 -5.291 8.138 1.00 0.00 N ATOM 1385 CA ILE A 86 7.305 -6.016 7.934 1.00 0.00 C ATOM 1386 C ILE A 86 7.047 -7.400 7.347 1.00 0.00 C ATOM 1387 O ILE A 86 6.005 -8.006 7.595 1.00 0.00 O ATOM 1388 CB ILE A 86 8.091 -6.168 9.250 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.399 -4.793 9.846 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.375 -6.949 9.013 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.271 -3.931 8.958 1.00 0.00 C ATOM 0 H ILE A 86 6.005 -4.780 9.019 1.00 0.00 H new ATOM 0 HA ILE A 86 7.898 -5.430 7.232 1.00 0.00 H new ATOM 0 HB ILE A 86 7.478 -6.722 9.961 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.462 -4.271 10.038 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.893 -4.925 10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.919 -7.048 9.952 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.133 -7.939 8.628 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.994 -6.420 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.448 -2.971 9.444 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.223 -4.432 8.786 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.770 -3.768 8.004 1.00 0.00 H new