USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -159:sc= -0.0932 (180deg=-0.883) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 168:sc= 0.99 USER MOD Single : A 23 THR OG1 : rot -83:sc= 1.23 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 36 CYS SG : rot 170:sc= 0.0293 USER MOD Single : A 37 GLN : amide:sc= -0.0712 K(o=-0.071,f=-0.95) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0046 USER MOD Single : A 49 GLN : amide:sc= -0.0687 X(o=-0.069,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -166:sc= 0 (180deg=-0.109) USER MOD Single : A 57 SER OG : rot 85:sc= 0.234 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00941) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.628 F(o=-1.2,f=-0.63) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -1.267 -8.885 -8.194 1.00 0.00 N ATOM 84 CA TYR A 9 -1.316 -9.308 -6.805 1.00 0.00 C ATOM 85 C TYR A 9 -1.255 -10.827 -6.660 1.00 0.00 C ATOM 86 O TYR A 9 -0.753 -11.297 -5.645 1.00 0.00 O ATOM 87 CB TYR A 9 -2.578 -8.725 -6.152 1.00 0.00 C ATOM 88 CG TYR A 9 -3.875 -8.948 -6.903 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.535 -10.186 -6.814 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.433 -7.910 -7.679 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.733 -10.395 -7.512 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.633 -8.117 -8.380 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.284 -9.366 -8.303 1.00 0.00 C ATOM 94 OH TYR A 9 -7.443 -9.580 -8.978 1.00 0.00 O ATOM 0 HA TYR A 9 -0.434 -8.926 -6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.679 -9.154 -5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.435 -7.652 -6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.119 -10.977 -6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.936 -6.953 -7.734 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.236 -11.348 -7.443 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.056 -7.322 -8.976 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.687 -8.771 -9.474 1.00 0.00 H new ATOM 104 N GLU A 10 -1.730 -11.578 -7.655 1.00 0.00 N ATOM 105 CA GLU A 10 -1.697 -13.033 -7.701 1.00 0.00 C ATOM 106 C GLU A 10 -0.252 -13.532 -7.621 1.00 0.00 C ATOM 107 O GLU A 10 0.079 -14.269 -6.697 1.00 0.00 O ATOM 108 CB GLU A 10 -2.400 -13.507 -8.990 1.00 0.00 C ATOM 109 CG GLU A 10 -3.918 -13.245 -9.010 1.00 0.00 C ATOM 110 CD GLU A 10 -4.725 -14.202 -8.124 1.00 0.00 C ATOM 111 OE1 GLU A 10 -4.459 -14.289 -6.905 1.00 0.00 O ATOM 112 OE2 GLU A 10 -5.616 -14.906 -8.656 1.00 0.00 O ATOM 0 H GLU A 10 -2.165 -11.169 -8.482 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.227 -13.450 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.944 -13.007 -9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.225 -14.576 -9.115 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.104 -12.221 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.277 -13.325 -10.036 1.00 0.00 H new ATOM 119 N LEU A 11 0.632 -13.088 -8.524 1.00 0.00 N ATOM 120 CA LEU A 11 2.047 -13.476 -8.522 1.00 0.00 C ATOM 121 C LEU A 11 2.662 -13.143 -7.165 1.00 0.00 C ATOM 122 O LEU A 11 3.299 -13.980 -6.518 1.00 0.00 O ATOM 123 CB LEU A 11 2.759 -12.741 -9.678 1.00 0.00 C ATOM 124 CG LEU A 11 4.198 -13.148 -10.050 1.00 0.00 C ATOM 125 CD1 LEU A 11 5.306 -12.828 -9.047 1.00 0.00 C ATOM 126 CD2 LEU A 11 4.268 -14.628 -10.390 1.00 0.00 C ATOM 0 H LEU A 11 0.384 -12.448 -9.278 1.00 0.00 H new ATOM 0 HA LEU A 11 2.159 -14.549 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.143 -12.857 -10.570 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.770 -11.679 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 11 4.406 -12.510 -10.909 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.263 -13.170 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.346 -11.752 -8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.100 -13.333 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.293 -14.894 -10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.948 -15.215 -9.529 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.613 -14.838 -11.236 1.00 0.00 H new ATOM 138 N TYR A 12 2.428 -11.908 -6.724 1.00 0.00 N ATOM 139 CA TYR A 12 2.997 -11.359 -5.503 1.00 0.00 C ATOM 140 C TYR A 12 2.363 -11.993 -4.265 1.00 0.00 C ATOM 141 O TYR A 12 2.764 -11.677 -3.151 1.00 0.00 O ATOM 142 CB TYR A 12 2.826 -9.824 -5.482 1.00 0.00 C ATOM 143 CG TYR A 12 3.071 -9.101 -6.800 1.00 0.00 C ATOM 144 CD1 TYR A 12 3.967 -9.636 -7.743 1.00 0.00 C ATOM 145 CD2 TYR A 12 2.337 -7.943 -7.124 1.00 0.00 C ATOM 146 CE1 TYR A 12 4.033 -9.131 -9.049 1.00 0.00 C ATOM 147 CE2 TYR A 12 2.452 -7.372 -8.406 1.00 0.00 C ATOM 148 CZ TYR A 12 3.274 -7.986 -9.379 1.00 0.00 C ATOM 149 OH TYR A 12 3.384 -7.433 -10.614 1.00 0.00 O ATOM 0 H TYR A 12 1.825 -11.251 -7.219 1.00 0.00 H new ATOM 0 HA TYR A 12 4.061 -11.593 -5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.813 -9.597 -5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.506 -9.414 -4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.616 -10.450 -7.456 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.686 -7.493 -6.389 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.654 -9.610 -9.791 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.914 -6.467 -8.646 1.00 0.00 H new ATOM 0 HH TYR A 12 2.794 -6.653 -10.677 1.00 0.00 H new ATOM 159 N MET A 13 1.330 -12.831 -4.391 1.00 0.00 N ATOM 160 CA MET A 13 0.651 -13.392 -3.246 1.00 0.00 C ATOM 161 C MET A 13 1.595 -14.328 -2.497 1.00 0.00 C ATOM 162 O MET A 13 1.625 -14.280 -1.267 1.00 0.00 O ATOM 163 CB MET A 13 -0.645 -14.082 -3.694 1.00 0.00 C ATOM 164 CG MET A 13 -1.589 -14.204 -2.504 1.00 0.00 C ATOM 165 SD MET A 13 -3.312 -13.665 -2.730 1.00 0.00 S ATOM 166 CE MET A 13 -3.135 -11.975 -3.379 1.00 0.00 C ATOM 0 H MET A 13 0.951 -13.131 -5.289 1.00 0.00 H new ATOM 0 HA MET A 13 0.365 -12.602 -2.551 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.119 -13.509 -4.491 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.423 -15.069 -4.100 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.603 -15.249 -2.193 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.164 -13.632 -1.679 1.00 0.00 H new ATOM 0 HE1 MET A 13 -4.058 -11.421 -3.208 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.311 -11.474 -2.870 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.930 -12.016 -4.449 1.00 0.00 H new ATOM 176 N TYR A 14 2.412 -15.089 -3.231 1.00 0.00 N ATOM 177 CA TYR A 14 3.274 -16.142 -2.699 1.00 0.00 C ATOM 178 C TYR A 14 4.721 -15.676 -2.580 1.00 0.00 C ATOM 179 O TYR A 14 5.390 -16.020 -1.604 1.00 0.00 O ATOM 180 CB TYR A 14 3.203 -17.380 -3.611 1.00 0.00 C ATOM 181 CG TYR A 14 1.801 -17.656 -4.102 1.00 0.00 C ATOM 182 CD1 TYR A 14 0.866 -18.258 -3.241 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.395 -17.158 -5.355 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.487 -18.336 -3.613 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.044 -17.236 -5.725 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.908 -17.804 -4.850 1.00 0.00 C ATOM 187 OH TYR A 14 -2.227 -17.810 -5.186 1.00 0.00 O ATOM 0 H TYR A 14 2.492 -14.984 -4.242 1.00 0.00 H new ATOM 0 HA TYR A 14 2.918 -16.394 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.863 -17.235 -4.467 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.572 -18.250 -3.067 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.188 -18.661 -2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.118 -16.719 -6.026 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.203 -18.802 -2.953 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.271 -16.859 -6.687 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.341 -17.405 -6.071 1.00 0.00 H new ATOM 197 N ARG A 15 5.217 -14.926 -3.572 1.00 0.00 N ATOM 198 CA ARG A 15 6.613 -14.496 -3.636 1.00 0.00 C ATOM 199 C ARG A 15 6.759 -13.071 -3.108 1.00 0.00 C ATOM 200 O ARG A 15 5.784 -12.321 -3.077 1.00 0.00 O ATOM 201 CB ARG A 15 7.136 -14.626 -5.084 1.00 0.00 C ATOM 202 CG ARG A 15 8.305 -15.615 -5.227 1.00 0.00 C ATOM 203 CD ARG A 15 9.524 -15.178 -4.408 1.00 0.00 C ATOM 204 NE ARG A 15 10.660 -16.104 -4.510 1.00 0.00 N ATOM 205 CZ ARG A 15 11.879 -15.830 -4.031 1.00 0.00 C ATOM 206 NH1 ARG A 15 12.068 -14.845 -3.158 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.938 -16.495 -4.471 1.00 0.00 N ATOM 0 H ARG A 15 4.654 -14.600 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 15 7.218 -15.141 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.318 -14.946 -5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.455 -13.645 -5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.985 -16.605 -4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.584 -15.699 -6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.840 -14.189 -4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.234 -15.084 -3.361 1.00 0.00 H new ATOM 0 HE ARG A 15 10.512 -17.002 -4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.277 -14.284 -2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.004 -14.650 -2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.827 -17.221 -5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.864 -16.281 -4.102 1.00 0.00 H new ATOM 221 N GLU A 16 7.974 -12.706 -2.701 1.00 0.00 N ATOM 222 CA GLU A 16 8.269 -11.424 -2.078 1.00 0.00 C ATOM 223 C GLU A 16 8.582 -10.329 -3.088 1.00 0.00 C ATOM 224 O GLU A 16 8.670 -10.563 -4.294 1.00 0.00 O ATOM 225 CB GLU A 16 9.422 -11.582 -1.072 1.00 0.00 C ATOM 226 CG GLU A 16 9.124 -12.627 0.010 1.00 0.00 C ATOM 227 CD GLU A 16 9.974 -13.883 -0.125 1.00 0.00 C ATOM 228 OE1 GLU A 16 10.035 -14.460 -1.236 1.00 0.00 O ATOM 229 OE2 GLU A 16 10.523 -14.319 0.911 1.00 0.00 O ATOM 0 H GLU A 16 8.793 -13.306 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 16 7.367 -11.108 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.329 -11.866 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.620 -10.620 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.294 -12.184 0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.070 -12.901 -0.038 1.00 0.00 H new ATOM 236 N VAL A 17 8.752 -9.129 -2.542 1.00 0.00 N ATOM 237 CA VAL A 17 9.228 -7.918 -3.174 1.00 0.00 C ATOM 238 C VAL A 17 10.030 -7.155 -2.104 1.00 0.00 C ATOM 239 O VAL A 17 9.875 -7.414 -0.902 1.00 0.00 O ATOM 240 CB VAL A 17 8.019 -7.128 -3.726 1.00 0.00 C ATOM 241 CG1 VAL A 17 6.916 -6.986 -2.672 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.357 -5.708 -4.203 1.00 0.00 C ATOM 0 H VAL A 17 8.539 -8.973 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 17 9.879 -8.105 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 17 7.690 -7.718 -4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.081 -6.426 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.573 -7.975 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.308 -6.456 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.454 -5.224 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.762 -5.131 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.096 -5.759 -5.002 1.00 0.00 H new ATOM 252 N ASP A 18 10.874 -6.210 -2.513 1.00 0.00 N ATOM 253 CA ASP A 18 11.652 -5.348 -1.629 1.00 0.00 C ATOM 254 C ASP A 18 10.832 -4.106 -1.309 1.00 0.00 C ATOM 255 O ASP A 18 10.764 -3.173 -2.107 1.00 0.00 O ATOM 256 CB ASP A 18 12.990 -4.971 -2.276 1.00 0.00 C ATOM 257 CG ASP A 18 13.892 -6.185 -2.434 1.00 0.00 C ATOM 258 OD1 ASP A 18 13.952 -7.033 -1.513 1.00 0.00 O ATOM 259 OD2 ASP A 18 14.472 -6.349 -3.529 1.00 0.00 O ATOM 0 H ASP A 18 11.040 -6.018 -3.501 1.00 0.00 H new ATOM 0 HA ASP A 18 11.877 -5.880 -0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.810 -4.520 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.492 -4.220 -1.666 1.00 0.00 H new ATOM 264 N THR A 19 10.178 -4.078 -0.150 1.00 0.00 N ATOM 265 CA THR A 19 9.343 -2.961 0.277 1.00 0.00 C ATOM 266 C THR A 19 10.120 -1.634 0.332 1.00 0.00 C ATOM 267 O THR A 19 9.527 -0.576 0.102 1.00 0.00 O ATOM 268 CB THR A 19 8.704 -3.309 1.637 1.00 0.00 C ATOM 269 OG1 THR A 19 9.641 -3.875 2.533 1.00 0.00 O ATOM 270 CG2 THR A 19 7.580 -4.333 1.474 1.00 0.00 C ATOM 0 H THR A 19 10.214 -4.841 0.526 1.00 0.00 H new ATOM 0 HA THR A 19 8.557 -2.808 -0.463 1.00 0.00 H new ATOM 0 HB THR A 19 8.323 -2.368 2.033 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.255 -3.908 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.149 -4.558 2.449 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.808 -3.925 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.981 -5.246 1.035 1.00 0.00 H new ATOM 278 N LEU A 20 11.429 -1.647 0.612 1.00 0.00 N ATOM 279 CA LEU A 20 12.227 -0.427 0.659 1.00 0.00 C ATOM 280 C LEU A 20 12.404 0.176 -0.731 1.00 0.00 C ATOM 281 O LEU A 20 12.387 1.401 -0.853 1.00 0.00 O ATOM 282 CB LEU A 20 13.608 -0.706 1.283 1.00 0.00 C ATOM 283 CG LEU A 20 13.749 -0.295 2.757 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.644 1.225 2.957 1.00 0.00 C ATOM 285 CD2 LEU A 20 12.735 -1.033 3.634 1.00 0.00 C ATOM 0 H LEU A 20 11.956 -2.498 0.810 1.00 0.00 H new ATOM 0 HA LEU A 20 11.691 0.291 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.821 -1.772 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.366 -0.181 0.701 1.00 0.00 H new ATOM 0 HG LEU A 20 14.752 -0.587 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.750 1.461 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.434 1.722 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.673 1.572 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.858 -0.723 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.725 -0.795 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.899 -2.108 3.555 1.00 0.00 H new ATOM 297 N GLU A 21 12.581 -0.661 -1.754 1.00 0.00 N ATOM 298 CA GLU A 21 12.785 -0.228 -3.124 1.00 0.00 C ATOM 299 C GLU A 21 11.448 0.116 -3.779 1.00 0.00 C ATOM 300 O GLU A 21 11.331 1.113 -4.489 1.00 0.00 O ATOM 301 CB GLU A 21 13.540 -1.324 -3.884 1.00 0.00 C ATOM 302 CG GLU A 21 15.046 -1.030 -3.959 1.00 0.00 C ATOM 303 CD GLU A 21 15.419 0.118 -4.906 1.00 0.00 C ATOM 304 OE1 GLU A 21 14.745 1.174 -4.933 1.00 0.00 O ATOM 305 OE2 GLU A 21 16.434 -0.012 -5.620 1.00 0.00 O ATOM 0 H GLU A 21 12.586 -1.675 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 21 13.387 0.680 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.381 -2.284 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.136 -1.412 -4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.408 -0.792 -2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.565 -1.933 -4.280 1.00 0.00 H new ATOM 312 N LEU A 22 10.403 -0.650 -3.459 1.00 0.00 N ATOM 313 CA LEU A 22 9.040 -0.332 -3.856 1.00 0.00 C ATOM 314 C LEU A 22 8.671 1.082 -3.402 1.00 0.00 C ATOM 315 O LEU A 22 8.241 1.904 -4.205 1.00 0.00 O ATOM 316 CB LEU A 22 8.086 -1.390 -3.279 1.00 0.00 C ATOM 317 CG LEU A 22 6.616 -0.941 -3.316 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.139 -0.814 -4.756 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.783 -1.961 -2.559 1.00 0.00 C ATOM 0 H LEU A 22 10.484 -1.509 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 22 8.954 -0.352 -4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.194 -2.317 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.370 -1.608 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 22 6.511 0.037 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.097 -0.495 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.749 -0.077 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.229 -1.779 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.736 -1.659 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.886 -2.938 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.129 -2.019 -1.527 1.00 0.00 H new ATOM 331 N THR A 23 8.791 1.366 -2.103 1.00 0.00 N ATOM 332 CA THR A 23 8.425 2.674 -1.567 1.00 0.00 C ATOM 333 C THR A 23 9.264 3.761 -2.238 1.00 0.00 C ATOM 334 O THR A 23 8.717 4.778 -2.662 1.00 0.00 O ATOM 335 CB THR A 23 8.569 2.691 -0.041 1.00 0.00 C ATOM 336 OG1 THR A 23 9.785 2.123 0.400 1.00 0.00 O ATOM 337 CG2 THR A 23 7.452 1.873 0.585 1.00 0.00 C ATOM 0 H THR A 23 9.138 0.707 -1.406 1.00 0.00 H new ATOM 0 HA THR A 23 7.377 2.877 -1.789 1.00 0.00 H new ATOM 0 HB THR A 23 8.534 3.739 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.692 1.149 0.450 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.556 1.886 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.488 2.300 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.509 0.845 0.227 1.00 0.00 H new ATOM 345 N ARG A 24 10.571 3.516 -2.367 1.00 0.00 N ATOM 346 CA ARG A 24 11.519 4.362 -3.104 1.00 0.00 C ATOM 347 C ARG A 24 10.947 4.791 -4.457 1.00 0.00 C ATOM 348 O ARG A 24 10.801 5.994 -4.690 1.00 0.00 O ATOM 349 CB ARG A 24 12.874 3.670 -3.273 1.00 0.00 C ATOM 350 CG ARG A 24 13.880 4.150 -2.224 1.00 0.00 C ATOM 351 CD ARG A 24 15.088 3.226 -2.268 1.00 0.00 C ATOM 352 NE ARG A 24 16.155 3.675 -1.358 1.00 0.00 N ATOM 353 CZ ARG A 24 16.577 3.104 -0.225 1.00 0.00 C ATOM 354 NH1 ARG A 24 16.157 1.892 0.126 1.00 0.00 N ATOM 355 NH2 ARG A 24 17.412 3.766 0.566 1.00 0.00 N ATOM 0 H ARG A 24 11.014 2.698 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 24 11.680 5.262 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.746 2.591 -3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.264 3.869 -4.271 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.180 5.178 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.429 4.140 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.782 2.215 -1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.474 3.181 -3.286 1.00 0.00 H new ATOM 0 HE ARG A 24 16.635 4.534 -1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.504 1.385 -0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.488 1.469 0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.726 4.701 0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.740 3.339 1.433 1.00 0.00 H new ATOM 369 N GLN A 25 10.638 3.825 -5.325 1.00 0.00 N ATOM 370 CA GLN A 25 10.034 4.014 -6.642 1.00 0.00 C ATOM 371 C GLN A 25 8.753 4.834 -6.550 1.00 0.00 C ATOM 372 O GLN A 25 8.613 5.836 -7.248 1.00 0.00 O ATOM 373 CB GLN A 25 9.767 2.634 -7.264 1.00 0.00 C ATOM 374 CG GLN A 25 10.909 2.170 -8.171 1.00 0.00 C ATOM 375 CD GLN A 25 10.567 2.420 -9.637 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.650 3.539 -10.134 1.00 0.00 O ATOM 377 NE2 GLN A 25 10.110 1.398 -10.338 1.00 0.00 N ATOM 0 H GLN A 25 10.812 2.842 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 25 10.721 4.573 -7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.619 1.903 -6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.842 2.671 -7.840 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.825 2.700 -7.910 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.098 1.108 -8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.047 0.474 -9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.820 1.533 -11.307 1.00 0.00 H new ATOM 386 N VAL A 26 7.816 4.430 -5.695 1.00 0.00 N ATOM 387 CA VAL A 26 6.521 5.086 -5.554 1.00 0.00 C ATOM 388 C VAL A 26 6.722 6.572 -5.244 1.00 0.00 C ATOM 389 O VAL A 26 6.143 7.422 -5.916 1.00 0.00 O ATOM 390 CB VAL A 26 5.698 4.341 -4.486 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.418 5.085 -4.089 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.331 2.935 -4.982 1.00 0.00 C ATOM 0 H VAL A 26 7.937 3.629 -5.075 1.00 0.00 H new ATOM 0 HA VAL A 26 5.956 5.043 -6.485 1.00 0.00 H new ATOM 0 HB VAL A 26 6.330 4.279 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.882 4.510 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.677 6.063 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.784 5.212 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.750 2.420 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.741 3.014 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.242 2.372 -5.186 1.00 0.00 H new ATOM 402 N LYS A 27 7.547 6.898 -4.244 1.00 0.00 N ATOM 403 CA LYS A 27 7.795 8.275 -3.820 1.00 0.00 C ATOM 404 C LYS A 27 8.312 9.123 -4.988 1.00 0.00 C ATOM 405 O LYS A 27 7.900 10.280 -5.110 1.00 0.00 O ATOM 406 CB LYS A 27 8.761 8.267 -2.621 1.00 0.00 C ATOM 407 CG LYS A 27 8.083 7.774 -1.329 1.00 0.00 C ATOM 408 CD LYS A 27 9.012 7.059 -0.340 1.00 0.00 C ATOM 409 CE LYS A 27 10.171 7.863 0.239 1.00 0.00 C ATOM 410 NZ LYS A 27 9.786 8.988 1.115 1.00 0.00 N ATOM 0 H LYS A 27 8.065 6.206 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 27 6.862 8.738 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.614 7.627 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.150 9.273 -2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.630 8.628 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.273 7.096 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.406 6.696 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.426 6.183 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.813 7.188 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.767 8.254 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.642 9.470 1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.200 9.660 0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.245 8.627 1.926 1.00 0.00 H new ATOM 424 N GLU A 28 9.144 8.556 -5.864 1.00 0.00 N ATOM 425 CA GLU A 28 9.673 9.253 -7.033 1.00 0.00 C ATOM 426 C GLU A 28 8.590 9.413 -8.096 1.00 0.00 C ATOM 427 O GLU A 28 8.344 10.532 -8.525 1.00 0.00 O ATOM 428 CB GLU A 28 10.894 8.521 -7.606 1.00 0.00 C ATOM 429 CG GLU A 28 12.067 8.473 -6.621 1.00 0.00 C ATOM 430 CD GLU A 28 12.913 9.743 -6.563 1.00 0.00 C ATOM 431 OE1 GLU A 28 12.362 10.855 -6.405 1.00 0.00 O ATOM 432 OE2 GLU A 28 14.161 9.611 -6.611 1.00 0.00 O ATOM 0 H GLU A 28 9.471 7.593 -5.779 1.00 0.00 H new ATOM 0 HA GLU A 28 9.996 10.245 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.610 7.504 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.214 9.017 -8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.677 8.269 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.712 7.636 -6.888 1.00 0.00 H new ATOM 439 N LYS A 29 7.888 8.351 -8.511 1.00 0.00 N ATOM 440 CA LYS A 29 6.844 8.472 -9.538 1.00 0.00 C ATOM 441 C LYS A 29 5.748 9.448 -9.104 1.00 0.00 C ATOM 442 O LYS A 29 5.167 10.150 -9.936 1.00 0.00 O ATOM 443 CB LYS A 29 6.283 7.088 -9.882 1.00 0.00 C ATOM 444 CG LYS A 29 5.384 7.130 -11.132 1.00 0.00 C ATOM 445 CD LYS A 29 4.938 5.712 -11.478 1.00 0.00 C ATOM 446 CE LYS A 29 4.068 5.619 -12.734 1.00 0.00 C ATOM 447 NZ LYS A 29 4.854 5.383 -13.962 1.00 0.00 N ATOM 0 H LYS A 29 8.022 7.405 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 29 7.288 8.887 -10.443 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.106 6.393 -10.049 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.711 6.707 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.515 7.763 -10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.926 7.568 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.821 5.088 -11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.384 5.301 -10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.346 4.812 -12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.499 6.542 -12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.213 5.329 -14.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.526 6.165 -14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.377 4.489 -13.873 1.00 0.00 H new ATOM 461 N LEU A 30 5.447 9.506 -7.806 1.00 0.00 N ATOM 462 CA LEU A 30 4.559 10.507 -7.234 1.00 0.00 C ATOM 463 C LEU A 30 5.165 11.893 -7.421 1.00 0.00 C ATOM 464 O LEU A 30 4.523 12.744 -8.038 1.00 0.00 O ATOM 465 CB LEU A 30 4.290 10.213 -5.750 1.00 0.00 C ATOM 466 CG LEU A 30 3.408 8.971 -5.535 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.422 8.582 -4.058 1.00 0.00 C ATOM 468 CD2 LEU A 30 1.962 9.218 -5.951 1.00 0.00 C ATOM 0 H LEU A 30 5.819 8.850 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 30 3.601 10.472 -7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.240 10.071 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.807 11.078 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 30 3.817 8.173 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.797 7.702 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.443 8.358 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.036 9.408 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.375 8.315 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.548 10.035 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.927 9.481 -7.008 1.00 0.00 H new ATOM 480 N ALA A 31 6.394 12.109 -6.936 1.00 0.00 N ATOM 481 CA ALA A 31 7.108 13.378 -7.042 1.00 0.00 C ATOM 482 C ALA A 31 7.169 13.864 -8.493 1.00 0.00 C ATOM 483 O ALA A 31 6.956 15.048 -8.747 1.00 0.00 O ATOM 484 CB ALA A 31 8.521 13.244 -6.457 1.00 0.00 C ATOM 0 H ALA A 31 6.927 11.388 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 31 6.559 14.123 -6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.042 14.198 -6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.455 12.960 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.071 12.479 -7.006 1.00 0.00 H new ATOM 490 N LYS A 32 7.394 12.959 -9.447 1.00 0.00 N ATOM 491 CA LYS A 32 7.492 13.247 -10.870 1.00 0.00 C ATOM 492 C LYS A 32 6.230 13.938 -11.393 1.00 0.00 C ATOM 493 O LYS A 32 6.337 14.864 -12.188 1.00 0.00 O ATOM 494 CB LYS A 32 7.811 11.946 -11.634 1.00 0.00 C ATOM 495 CG LYS A 32 8.496 12.262 -12.968 1.00 0.00 C ATOM 496 CD LYS A 32 8.772 11.031 -13.841 1.00 0.00 C ATOM 497 CE LYS A 32 9.972 10.213 -13.347 1.00 0.00 C ATOM 498 NZ LYS A 32 10.403 9.238 -14.370 1.00 0.00 N ATOM 0 H LYS A 32 7.517 11.969 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 32 8.308 13.950 -11.038 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.457 11.310 -11.028 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.892 11.388 -11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.872 12.958 -13.528 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.439 12.770 -12.768 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.886 10.396 -13.857 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.953 11.351 -14.867 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.798 10.882 -13.105 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.707 9.689 -12.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.216 8.697 -14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.620 8.587 -14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.677 9.743 -15.237 1.00 0.00 H new ATOM 512 N ASN A 33 5.039 13.551 -10.922 1.00 0.00 N ATOM 513 CA ASN A 33 3.784 14.235 -11.267 1.00 0.00 C ATOM 514 C ASN A 33 3.370 15.276 -10.213 1.00 0.00 C ATOM 515 O ASN A 33 2.291 15.858 -10.320 1.00 0.00 O ATOM 516 CB ASN A 33 2.656 13.225 -11.558 1.00 0.00 C ATOM 517 CG ASN A 33 2.551 12.895 -13.039 1.00 0.00 C ATOM 518 OD1 ASN A 33 2.236 13.757 -13.854 1.00 0.00 O ATOM 519 ND2 ASN A 33 2.823 11.666 -13.439 1.00 0.00 N ATOM 0 H ASN A 33 4.916 12.758 -10.293 1.00 0.00 H new ATOM 0 HA ASN A 33 3.969 14.792 -12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.836 12.309 -10.995 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.707 13.632 -11.210 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.772 11.429 -14.430 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.084 10.954 -12.757 1.00 0.00 H new ATOM 526 N GLY A 34 4.192 15.520 -9.190 1.00 0.00 N ATOM 527 CA GLY A 34 3.883 16.422 -8.089 1.00 0.00 C ATOM 528 C GLY A 34 2.750 15.899 -7.201 1.00 0.00 C ATOM 529 O GLY A 34 2.081 16.689 -6.534 1.00 0.00 O ATOM 0 H GLY A 34 5.110 15.084 -9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.777 16.569 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.605 17.397 -8.490 1.00 0.00 H new ATOM 533 N ILE A 35 2.480 14.595 -7.215 1.00 0.00 N ATOM 534 CA ILE A 35 1.361 14.002 -6.496 1.00 0.00 C ATOM 535 C ILE A 35 1.706 14.018 -5.011 1.00 0.00 C ATOM 536 O ILE A 35 2.722 13.459 -4.592 1.00 0.00 O ATOM 537 CB ILE A 35 1.044 12.588 -7.014 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.756 12.672 -8.527 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.153 11.996 -6.241 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.441 11.328 -9.172 1.00 0.00 C ATOM 0 H ILE A 35 3.039 13.916 -7.732 1.00 0.00 H new ATOM 0 HA ILE A 35 0.452 14.580 -6.662 1.00 0.00 H new ATOM 0 HB ILE A 35 1.894 11.925 -6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.084 13.348 -8.690 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.620 13.110 -9.027 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.369 10.995 -6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.090 11.942 -5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.027 12.632 -6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.250 11.471 -10.236 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.288 10.655 -9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.441 10.896 -8.700 1.00 0.00 H new ATOM 552 N CYS A 36 0.851 14.649 -4.210 1.00 0.00 N ATOM 553 CA CYS A 36 0.972 14.630 -2.767 1.00 0.00 C ATOM 554 C CYS A 36 0.797 13.193 -2.268 1.00 0.00 C ATOM 555 O CYS A 36 -0.252 12.586 -2.497 1.00 0.00 O ATOM 556 CB CYS A 36 -0.093 15.537 -2.149 1.00 0.00 C ATOM 557 SG CYS A 36 -0.035 17.212 -2.842 1.00 0.00 S ATOM 0 H CYS A 36 0.055 15.188 -4.551 1.00 0.00 H new ATOM 0 HA CYS A 36 1.956 14.996 -2.474 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.080 15.107 -2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.052 15.585 -1.070 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.080 17.879 -2.452 1.00 0.00 H new ATOM 563 N GLN A 37 1.778 12.672 -1.532 1.00 0.00 N ATOM 564 CA GLN A 37 1.734 11.350 -0.917 1.00 0.00 C ATOM 565 C GLN A 37 0.520 11.184 0.003 1.00 0.00 C ATOM 566 O GLN A 37 -0.054 10.095 0.045 1.00 0.00 O ATOM 567 CB GLN A 37 3.035 11.110 -0.141 1.00 0.00 C ATOM 568 CG GLN A 37 4.168 10.635 -1.059 1.00 0.00 C ATOM 569 CD GLN A 37 5.506 10.637 -0.329 1.00 0.00 C ATOM 570 OE1 GLN A 37 5.603 10.263 0.836 1.00 0.00 O ATOM 571 NE2 GLN A 37 6.569 11.058 -0.980 1.00 0.00 N ATOM 0 H GLN A 37 2.647 13.172 -1.343 1.00 0.00 H new ATOM 0 HA GLN A 37 1.634 10.608 -1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.335 12.031 0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.862 10.366 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.950 9.630 -1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.227 11.283 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.485 11.368 -1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.478 11.074 -0.517 1.00 0.00 H new ATOM 580 N ARG A 38 0.098 12.249 0.699 1.00 0.00 N ATOM 581 CA ARG A 38 -1.142 12.245 1.482 1.00 0.00 C ATOM 582 C ARG A 38 -2.331 11.771 0.641 1.00 0.00 C ATOM 583 O ARG A 38 -3.047 10.857 1.038 1.00 0.00 O ATOM 584 CB ARG A 38 -1.430 13.627 2.110 1.00 0.00 C ATOM 585 CG ARG A 38 -1.162 14.851 1.223 1.00 0.00 C ATOM 586 CD ARG A 38 -2.025 16.051 1.627 1.00 0.00 C ATOM 587 NE ARG A 38 -1.860 17.159 0.673 1.00 0.00 N ATOM 588 CZ ARG A 38 -2.489 18.340 0.738 1.00 0.00 C ATOM 589 NH1 ARG A 38 -3.377 18.602 1.686 1.00 0.00 N ATOM 590 NH2 ARG A 38 -2.229 19.276 -0.162 1.00 0.00 N ATOM 0 H ARG A 38 0.605 13.133 0.734 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.001 11.536 2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.475 13.651 2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.829 13.723 3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.109 15.123 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.361 14.595 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.073 15.754 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.749 16.383 2.628 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.213 17.016 -0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.596 17.896 2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.842 19.510 1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.551 19.097 -0.903 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.707 20.176 -0.114 1.00 0.00 H new ATOM 604 N ILE A 39 -2.528 12.399 -0.514 1.00 0.00 N ATOM 605 CA ILE A 39 -3.661 12.183 -1.395 1.00 0.00 C ATOM 606 C ILE A 39 -3.508 10.813 -2.043 1.00 0.00 C ATOM 607 O ILE A 39 -4.480 10.072 -2.080 1.00 0.00 O ATOM 608 CB ILE A 39 -3.729 13.345 -2.412 1.00 0.00 C ATOM 609 CG1 ILE A 39 -4.058 14.664 -1.677 1.00 0.00 C ATOM 610 CG2 ILE A 39 -4.756 13.046 -3.517 1.00 0.00 C ATOM 611 CD1 ILE A 39 -4.002 15.885 -2.596 1.00 0.00 C ATOM 0 H ILE A 39 -1.876 13.097 -0.872 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.608 12.182 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.757 13.453 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.053 14.591 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.356 14.801 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.786 13.878 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.469 12.136 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.742 12.912 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.242 16.782 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.000 15.979 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.724 15.766 -3.404 1.00 0.00 H new ATOM 623 N PHE A 40 -2.311 10.441 -2.506 1.00 0.00 N ATOM 624 CA PHE A 40 -2.066 9.092 -3.021 1.00 0.00 C ATOM 625 C PHE A 40 -2.536 8.027 -2.030 1.00 0.00 C ATOM 626 O PHE A 40 -3.237 7.088 -2.401 1.00 0.00 O ATOM 627 CB PHE A 40 -0.576 8.908 -3.302 1.00 0.00 C ATOM 628 CG PHE A 40 -0.170 7.479 -3.626 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.596 6.860 -4.816 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.634 6.759 -2.723 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.201 5.540 -5.101 1.00 0.00 C ATOM 632 CE2 PHE A 40 1.050 5.452 -3.023 1.00 0.00 C ATOM 633 CZ PHE A 40 0.624 4.834 -4.209 1.00 0.00 C ATOM 0 H PHE A 40 -1.497 11.055 -2.534 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.633 8.974 -3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.294 9.551 -4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.010 9.246 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.225 7.398 -5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.934 7.216 -1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.534 5.066 -6.012 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.698 4.922 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.928 3.823 -4.435 1.00 0.00 H new ATOM 643 N GLY A 41 -2.148 8.176 -0.765 1.00 0.00 N ATOM 644 CA GLY A 41 -2.551 7.263 0.291 1.00 0.00 C ATOM 645 C GLY A 41 -4.063 7.164 0.388 1.00 0.00 C ATOM 646 O GLY A 41 -4.621 6.072 0.280 1.00 0.00 O ATOM 0 H GLY A 41 -1.545 8.935 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.131 6.275 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.145 7.603 1.244 1.00 0.00 H new ATOM 650 N GLU A 42 -4.715 8.309 0.539 1.00 0.00 N ATOM 651 CA GLU A 42 -6.158 8.421 0.661 1.00 0.00 C ATOM 652 C GLU A 42 -6.880 7.818 -0.557 1.00 0.00 C ATOM 653 O GLU A 42 -7.834 7.050 -0.405 1.00 0.00 O ATOM 654 CB GLU A 42 -6.472 9.916 0.842 1.00 0.00 C ATOM 655 CG GLU A 42 -6.188 10.411 2.274 1.00 0.00 C ATOM 656 CD GLU A 42 -7.447 10.855 3.018 1.00 0.00 C ATOM 657 OE1 GLU A 42 -8.126 11.790 2.538 1.00 0.00 O ATOM 658 OE2 GLU A 42 -7.703 10.385 4.152 1.00 0.00 O ATOM 0 H GLU A 42 -4.239 9.210 0.581 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.520 7.852 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.878 10.497 0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.520 10.096 0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.703 9.614 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.486 11.244 2.231 1.00 0.00 H new ATOM 665 N LYS A 43 -6.449 8.163 -1.771 1.00 0.00 N ATOM 666 CA LYS A 43 -7.167 7.902 -3.017 1.00 0.00 C ATOM 667 C LYS A 43 -6.867 6.520 -3.580 1.00 0.00 C ATOM 668 O LYS A 43 -7.786 5.915 -4.132 1.00 0.00 O ATOM 669 CB LYS A 43 -6.811 8.978 -4.063 1.00 0.00 C ATOM 670 CG LYS A 43 -7.273 10.394 -3.675 1.00 0.00 C ATOM 671 CD LYS A 43 -8.779 10.629 -3.853 1.00 0.00 C ATOM 672 CE LYS A 43 -9.086 11.127 -5.268 1.00 0.00 C ATOM 673 NZ LYS A 43 -10.522 11.417 -5.455 1.00 0.00 N ATOM 0 H LYS A 43 -5.563 8.647 -1.918 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.233 7.939 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.731 8.985 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.262 8.707 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.007 10.580 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.728 11.121 -4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.322 9.703 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.127 11.359 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.506 12.027 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.771 10.376 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.685 11.751 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.075 10.552 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.818 12.152 -4.782 1.00 0.00 H new ATOM 687 N VAL A 44 -5.625 6.043 -3.503 1.00 0.00 N ATOM 688 CA VAL A 44 -5.199 4.792 -4.137 1.00 0.00 C ATOM 689 C VAL A 44 -5.115 3.671 -3.108 1.00 0.00 C ATOM 690 O VAL A 44 -5.661 2.585 -3.318 1.00 0.00 O ATOM 691 CB VAL A 44 -3.853 4.986 -4.871 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.344 3.658 -5.451 1.00 0.00 C ATOM 693 CG2 VAL A 44 -3.995 6.011 -6.007 1.00 0.00 C ATOM 0 H VAL A 44 -4.878 6.517 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.944 4.506 -4.879 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.133 5.354 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.396 3.824 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.201 2.940 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.074 3.267 -6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.036 6.132 -6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.738 5.660 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.312 6.969 -5.595 1.00 0.00 H new ATOM 703 N LEU A 45 -4.371 3.907 -2.026 1.00 0.00 N ATOM 704 CA LEU A 45 -4.075 2.859 -1.057 1.00 0.00 C ATOM 705 C LEU A 45 -5.277 2.626 -0.148 1.00 0.00 C ATOM 706 O LEU A 45 -5.495 1.496 0.289 1.00 0.00 O ATOM 707 CB LEU A 45 -2.807 3.207 -0.254 1.00 0.00 C ATOM 708 CG LEU A 45 -1.543 3.329 -1.134 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.354 3.856 -0.330 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.130 1.972 -1.692 1.00 0.00 C ATOM 0 H LEU A 45 -3.964 4.815 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.877 1.928 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.966 4.147 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.642 2.440 0.503 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.797 4.018 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.519 3.930 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.593 4.841 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.139 3.173 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.238 2.088 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.917 1.290 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.939 1.567 -2.299 1.00 0.00 H new ATOM 722 N GLY A 46 -6.070 3.671 0.096 1.00 0.00 N ATOM 723 CA GLY A 46 -7.131 3.674 1.082 1.00 0.00 C ATOM 724 C GLY A 46 -6.555 3.767 2.493 1.00 0.00 C ATOM 725 O GLY A 46 -7.105 3.149 3.408 1.00 0.00 O ATOM 0 H GLY A 46 -5.983 4.556 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.800 4.515 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.726 2.766 0.986 1.00 0.00 H new ATOM 729 N LEU A 47 -5.445 4.490 2.679 1.00 0.00 N ATOM 730 CA LEU A 47 -4.783 4.660 3.967 1.00 0.00 C ATOM 731 C LEU A 47 -4.804 6.130 4.359 1.00 0.00 C ATOM 732 O LEU A 47 -4.611 7.003 3.513 1.00 0.00 O ATOM 733 CB LEU A 47 -3.319 4.193 3.894 1.00 0.00 C ATOM 734 CG LEU A 47 -3.108 2.679 3.722 1.00 0.00 C ATOM 735 CD1 LEU A 47 -1.607 2.412 3.567 1.00 0.00 C ATOM 736 CD2 LEU A 47 -3.601 1.868 4.923 1.00 0.00 C ATOM 0 H LEU A 47 -4.976 4.982 1.919 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.314 4.060 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.835 4.705 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.810 4.511 4.804 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.680 2.371 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.439 1.342 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.232 2.942 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.082 2.762 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.425 0.807 4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.061 2.178 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.668 2.040 5.065 1.00 0.00 H new ATOM 748 N SER A 48 -4.952 6.375 5.658 1.00 0.00 N ATOM 749 CA SER A 48 -4.907 7.680 6.278 1.00 0.00 C ATOM 750 C SER A 48 -3.572 8.375 6.026 1.00 0.00 C ATOM 751 O SER A 48 -2.543 7.724 5.831 1.00 0.00 O ATOM 752 CB SER A 48 -5.133 7.490 7.784 1.00 0.00 C ATOM 753 OG SER A 48 -6.268 6.680 8.034 1.00 0.00 O ATOM 0 H SER A 48 -5.114 5.627 6.333 1.00 0.00 H new ATOM 0 HA SER A 48 -5.681 8.315 5.847 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.251 7.032 8.232 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.265 8.462 8.260 1.00 0.00 H new ATOM 0 HG SER A 48 -6.388 6.574 9.001 1.00 0.00 H new ATOM 759 N GLN A 49 -3.589 9.704 6.138 1.00 0.00 N ATOM 760 CA GLN A 49 -2.434 10.578 5.970 1.00 0.00 C ATOM 761 C GLN A 49 -1.260 10.100 6.812 1.00 0.00 C ATOM 762 O GLN A 49 -0.152 9.977 6.293 1.00 0.00 O ATOM 763 CB GLN A 49 -2.780 12.022 6.372 1.00 0.00 C ATOM 764 CG GLN A 49 -3.222 12.859 5.171 1.00 0.00 C ATOM 765 CD GLN A 49 -3.533 14.304 5.557 1.00 0.00 C ATOM 766 OE1 GLN A 49 -4.570 14.853 5.202 1.00 0.00 O ATOM 767 NE2 GLN A 49 -2.645 14.990 6.254 1.00 0.00 N ATOM 0 H GLN A 49 -4.442 10.218 6.357 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.156 10.549 4.916 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.574 12.010 7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.911 12.487 6.838 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.438 12.848 4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.106 12.407 4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.778 14.544 6.555 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.826 15.965 6.491 1.00 0.00 H new ATOM 776 N GLY A 50 -1.497 9.877 8.104 1.00 0.00 N ATOM 777 CA GLY A 50 -0.467 9.470 9.036 1.00 0.00 C ATOM 778 C GLY A 50 0.005 8.052 8.748 1.00 0.00 C ATOM 779 O GLY A 50 1.208 7.835 8.624 1.00 0.00 O ATOM 0 H GLY A 50 -2.419 9.977 8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.377 10.157 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.850 9.529 10.055 1.00 0.00 H new ATOM 783 N SER A 51 -0.924 7.104 8.586 1.00 0.00 N ATOM 784 CA SER A 51 -0.589 5.708 8.339 1.00 0.00 C ATOM 785 C SER A 51 0.274 5.572 7.084 1.00 0.00 C ATOM 786 O SER A 51 1.318 4.929 7.147 1.00 0.00 O ATOM 787 CB SER A 51 -1.855 4.848 8.266 1.00 0.00 C ATOM 788 OG SER A 51 -2.648 5.052 9.421 1.00 0.00 O ATOM 0 H SER A 51 -1.927 7.288 8.623 1.00 0.00 H new ATOM 0 HA SER A 51 0.001 5.338 9.178 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.426 5.103 7.373 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.585 3.795 8.182 1.00 0.00 H new ATOM 0 HG SER A 51 -3.456 4.500 9.365 1.00 0.00 H new ATOM 794 N VAL A 52 -0.098 6.188 5.954 1.00 0.00 N ATOM 795 CA VAL A 52 0.711 6.148 4.750 1.00 0.00 C ATOM 796 C VAL A 52 2.088 6.787 4.949 1.00 0.00 C ATOM 797 O VAL A 52 3.050 6.358 4.309 1.00 0.00 O ATOM 798 CB VAL A 52 -0.079 6.771 3.581 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.393 8.164 3.137 1.00 0.00 C ATOM 800 CG2 VAL A 52 0.011 5.787 2.422 1.00 0.00 C ATOM 0 H VAL A 52 -0.962 6.721 5.859 1.00 0.00 H new ATOM 0 HA VAL A 52 0.920 5.107 4.503 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.101 6.938 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.227 8.512 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.309 8.860 3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.432 8.110 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.535 6.183 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.056 5.640 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.424 4.833 2.720 1.00 0.00 H new ATOM 810 N SER A 53 2.177 7.811 5.797 1.00 0.00 N ATOM 811 CA SER A 53 3.419 8.474 6.142 1.00 0.00 C ATOM 812 C SER A 53 4.318 7.451 6.808 1.00 0.00 C ATOM 813 O SER A 53 5.429 7.218 6.346 1.00 0.00 O ATOM 814 CB SER A 53 3.113 9.655 7.062 1.00 0.00 C ATOM 815 OG SER A 53 3.955 10.770 6.830 1.00 0.00 O ATOM 0 H SER A 53 1.365 8.206 6.270 1.00 0.00 H new ATOM 0 HA SER A 53 3.927 8.868 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.074 9.956 6.924 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.218 9.337 8.099 1.00 0.00 H new ATOM 0 HG SER A 53 3.714 11.495 7.444 1.00 0.00 H new ATOM 821 N ASP A 54 3.830 6.792 7.856 1.00 0.00 N ATOM 822 CA ASP A 54 4.588 5.782 8.573 1.00 0.00 C ATOM 823 C ASP A 54 4.905 4.590 7.672 1.00 0.00 C ATOM 824 O ASP A 54 5.952 3.972 7.846 1.00 0.00 O ATOM 825 CB ASP A 54 3.838 5.356 9.840 1.00 0.00 C ATOM 826 CG ASP A 54 4.129 6.315 10.988 1.00 0.00 C ATOM 827 OD1 ASP A 54 5.318 6.430 11.372 1.00 0.00 O ATOM 828 OD2 ASP A 54 3.201 6.996 11.474 1.00 0.00 O ATOM 0 H ASP A 54 2.894 6.947 8.230 1.00 0.00 H new ATOM 0 HA ASP A 54 5.542 6.213 8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.766 5.332 9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.133 4.345 10.121 1.00 0.00 H new ATOM 833 N MET A 55 4.061 4.260 6.694 1.00 0.00 N ATOM 834 CA MET A 55 4.331 3.255 5.686 1.00 0.00 C ATOM 835 C MET A 55 5.542 3.642 4.839 1.00 0.00 C ATOM 836 O MET A 55 6.524 2.909 4.791 1.00 0.00 O ATOM 837 CB MET A 55 3.066 3.103 4.835 1.00 0.00 C ATOM 838 CG MET A 55 2.597 1.671 4.728 1.00 0.00 C ATOM 839 SD MET A 55 2.238 0.776 6.266 1.00 0.00 S ATOM 840 CE MET A 55 0.598 1.472 6.597 1.00 0.00 C ATOM 0 H MET A 55 3.148 4.701 6.585 1.00 0.00 H new ATOM 0 HA MET A 55 4.578 2.301 6.152 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.269 3.709 5.266 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.258 3.493 3.835 1.00 0.00 H new ATOM 0 HG2 MET A 55 1.695 1.660 4.116 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.357 1.110 4.185 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.306 1.243 7.622 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.627 2.553 6.461 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.127 1.039 5.907 1.00 0.00 H new ATOM 850 N LEU A 56 5.468 4.774 4.139 1.00 0.00 N ATOM 851 CA LEU A 56 6.523 5.253 3.258 1.00 0.00 C ATOM 852 C LEU A 56 7.811 5.602 4.002 1.00 0.00 C ATOM 853 O LEU A 56 8.888 5.360 3.462 1.00 0.00 O ATOM 854 CB LEU A 56 6.008 6.460 2.450 1.00 0.00 C ATOM 855 CG LEU A 56 4.978 6.094 1.354 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.716 7.276 0.426 1.00 0.00 C ATOM 857 CD2 LEU A 56 5.478 4.941 0.475 1.00 0.00 C ATOM 0 H LEU A 56 4.657 5.392 4.172 1.00 0.00 H new ATOM 0 HA LEU A 56 6.781 4.439 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.554 7.175 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.857 6.960 1.983 1.00 0.00 H new ATOM 0 HG LEU A 56 4.068 5.806 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.989 6.988 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.325 8.113 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.647 7.572 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.730 4.711 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.410 5.231 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.651 4.060 1.094 1.00 0.00 H new ATOM 869 N SER A 57 7.728 6.170 5.203 1.00 0.00 N ATOM 870 CA SER A 57 8.879 6.564 6.009 1.00 0.00 C ATOM 871 C SER A 57 9.502 5.368 6.737 1.00 0.00 C ATOM 872 O SER A 57 10.725 5.310 6.882 1.00 0.00 O ATOM 873 CB SER A 57 8.436 7.633 7.017 1.00 0.00 C ATOM 874 OG SER A 57 7.948 8.781 6.342 1.00 0.00 O ATOM 0 H SER A 57 6.836 6.374 5.653 1.00 0.00 H new ATOM 0 HA SER A 57 9.645 6.968 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.660 7.229 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.275 7.909 7.656 1.00 0.00 H new ATOM 0 HG SER A 57 7.000 8.655 6.126 1.00 0.00 H new ATOM 880 N ARG A 58 8.697 4.400 7.188 1.00 0.00 N ATOM 881 CA ARG A 58 9.159 3.214 7.908 1.00 0.00 C ATOM 882 C ARG A 58 8.500 1.965 7.312 1.00 0.00 C ATOM 883 O ARG A 58 7.671 1.340 7.985 1.00 0.00 O ATOM 884 CB ARG A 58 8.902 3.374 9.422 1.00 0.00 C ATOM 885 CG ARG A 58 9.594 4.601 10.035 1.00 0.00 C ATOM 886 CD ARG A 58 9.515 4.583 11.566 1.00 0.00 C ATOM 887 NE ARG A 58 9.823 5.912 12.113 1.00 0.00 N ATOM 888 CZ ARG A 58 10.743 6.264 13.018 1.00 0.00 C ATOM 889 NH1 ARG A 58 11.599 5.388 13.533 1.00 0.00 N ATOM 890 NH2 ARG A 58 10.788 7.533 13.393 1.00 0.00 N ATOM 0 H ARG A 58 7.685 4.422 7.059 1.00 0.00 H new ATOM 0 HA ARG A 58 10.236 3.096 7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.828 3.449 9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.246 2.477 9.938 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.638 4.625 9.724 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.128 5.510 9.656 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.518 4.276 11.881 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.215 3.848 11.964 1.00 0.00 H new ATOM 0 HE ARG A 58 9.253 6.676 11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.568 4.412 13.240 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.288 5.692 14.221 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.134 8.206 12.994 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.477 7.837 14.081 1.00 0.00 H new ATOM 904 N PRO A 59 8.846 1.571 6.068 1.00 0.00 N ATOM 905 CA PRO A 59 8.286 0.372 5.470 1.00 0.00 C ATOM 906 C PRO A 59 8.684 -0.848 6.288 1.00 0.00 C ATOM 907 O PRO A 59 9.859 -1.025 6.629 1.00 0.00 O ATOM 908 CB PRO A 59 8.818 0.256 4.045 1.00 0.00 C ATOM 909 CG PRO A 59 9.689 1.492 3.818 1.00 0.00 C ATOM 910 CD PRO A 59 9.747 2.246 5.144 1.00 0.00 C ATOM 0 HA PRO A 59 7.198 0.429 5.453 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.398 -0.658 3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.000 0.217 3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.689 1.205 3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.268 2.122 3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.764 2.255 5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.449 3.286 5.008 1.00 0.00 H new ATOM 918 N LYS A 60 7.707 -1.704 6.575 1.00 0.00 N ATOM 919 CA LYS A 60 7.945 -3.004 7.171 1.00 0.00 C ATOM 920 C LYS A 60 8.447 -3.970 6.095 1.00 0.00 C ATOM 921 O LYS A 60 8.150 -3.778 4.911 1.00 0.00 O ATOM 922 CB LYS A 60 6.649 -3.504 7.827 1.00 0.00 C ATOM 923 CG LYS A 60 6.339 -2.723 9.118 1.00 0.00 C ATOM 924 CD LYS A 60 4.844 -2.502 9.371 1.00 0.00 C ATOM 925 CE LYS A 60 4.134 -3.780 9.820 1.00 0.00 C ATOM 926 NZ LYS A 60 2.705 -3.537 10.103 1.00 0.00 N ATOM 0 H LYS A 60 6.722 -1.508 6.397 1.00 0.00 H new ATOM 0 HA LYS A 60 8.710 -2.937 7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.820 -3.398 7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.740 -4.566 8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.765 -3.260 9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.836 -1.754 9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.717 -1.732 10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.375 -2.130 8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.228 -4.541 9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.621 -4.173 10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.255 -4.425 10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.616 -2.829 10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.236 -3.186 9.244 1.00 0.00 H new ATOM 940 N PRO A 61 9.175 -5.023 6.486 1.00 0.00 N ATOM 941 CA PRO A 61 9.636 -6.026 5.546 1.00 0.00 C ATOM 942 C PRO A 61 8.459 -6.893 5.100 1.00 0.00 C ATOM 943 O PRO A 61 7.472 -7.076 5.820 1.00 0.00 O ATOM 944 CB PRO A 61 10.732 -6.801 6.284 1.00 0.00 C ATOM 945 CG PRO A 61 10.395 -6.623 7.755 1.00 0.00 C ATOM 946 CD PRO A 61 9.675 -5.278 7.826 1.00 0.00 C ATOM 0 HA PRO A 61 10.045 -5.608 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.734 -7.854 6.001 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.722 -6.407 6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.760 -7.432 8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.295 -6.624 8.371 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.859 -5.309 8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.354 -4.488 8.147 1.00 0.00 H new ATOM 954 N TRP A 62 8.575 -7.497 3.924 1.00 0.00 N ATOM 955 CA TRP A 62 7.578 -8.415 3.394 1.00 0.00 C ATOM 956 C TRP A 62 7.466 -9.679 4.262 1.00 0.00 C ATOM 957 O TRP A 62 6.400 -10.293 4.350 1.00 0.00 O ATOM 958 CB TRP A 62 7.952 -8.741 1.951 1.00 0.00 C ATOM 959 CG TRP A 62 6.854 -9.385 1.185 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.662 -10.715 1.076 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.741 -8.753 0.487 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.579 -10.950 0.261 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.969 -9.780 -0.120 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.281 -7.427 0.330 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.837 -9.506 -0.888 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.129 -7.143 -0.431 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.426 -8.182 -1.063 1.00 0.00 C ATOM 0 H TRP A 62 9.374 -7.361 3.305 1.00 0.00 H new ATOM 0 HA TRP A 62 6.593 -7.950 3.413 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.248 -7.822 1.444 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.821 -9.400 1.949 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.263 -11.475 1.553 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.268 -11.878 -0.025 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.820 -6.618 0.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.282 -10.312 -1.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.786 -6.124 -0.528 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.570 -7.958 -1.683 1.00 0.00 H new ATOM 978 N SER A 63 8.540 -10.026 4.972 1.00 0.00 N ATOM 979 CA SER A 63 8.574 -11.068 5.991 1.00 0.00 C ATOM 980 C SER A 63 7.831 -10.712 7.294 1.00 0.00 C ATOM 981 O SER A 63 7.649 -11.578 8.153 1.00 0.00 O ATOM 982 CB SER A 63 10.040 -11.343 6.310 1.00 0.00 C ATOM 983 OG SER A 63 10.664 -12.025 5.239 1.00 0.00 O ATOM 0 H SER A 63 9.443 -9.570 4.846 1.00 0.00 H new ATOM 0 HA SER A 63 8.056 -11.938 5.587 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.558 -10.403 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.114 -11.939 7.220 1.00 0.00 H new ATOM 0 HG SER A 63 11.604 -12.191 5.461 1.00 0.00 H new ATOM 989 N LYS A 64 7.415 -9.459 7.487 1.00 0.00 N ATOM 990 CA LYS A 64 6.541 -9.014 8.587 1.00 0.00 C ATOM 991 C LYS A 64 5.101 -8.886 8.128 1.00 0.00 C ATOM 992 O LYS A 64 4.183 -9.182 8.884 1.00 0.00 O ATOM 993 CB LYS A 64 6.990 -7.643 9.095 1.00 0.00 C ATOM 994 CG LYS A 64 8.139 -7.801 10.083 1.00 0.00 C ATOM 995 CD LYS A 64 7.653 -8.248 11.464 1.00 0.00 C ATOM 996 CE LYS A 64 8.282 -7.340 12.512 1.00 0.00 C ATOM 997 NZ LYS A 64 9.740 -7.537 12.618 1.00 0.00 N ATOM 0 H LYS A 64 7.683 -8.697 6.864 1.00 0.00 H new ATOM 0 HA LYS A 64 6.610 -9.762 9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.304 -7.021 8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.155 -7.133 9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.851 -8.530 9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.670 -6.854 10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.566 -8.194 11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.931 -9.286 11.646 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.075 -6.300 12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.820 -7.531 13.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.115 -6.948 13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.942 -8.538 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.193 -7.264 11.723 1.00 0.00 H new ATOM 1011 N LEU A 65 4.898 -8.373 6.917 1.00 0.00 N ATOM 1012 CA LEU A 65 3.568 -8.050 6.439 1.00 0.00 C ATOM 1013 C LEU A 65 2.900 -9.376 6.100 1.00 0.00 C ATOM 1014 O LEU A 65 3.436 -10.147 5.306 1.00 0.00 O ATOM 1015 CB LEU A 65 3.679 -7.151 5.197 1.00 0.00 C ATOM 1016 CG LEU A 65 4.305 -5.769 5.469 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.723 -5.153 4.135 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.331 -4.847 6.213 1.00 0.00 C ATOM 0 H LEU A 65 5.644 -8.174 6.251 1.00 0.00 H new ATOM 0 HA LEU A 65 2.983 -7.510 7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.275 -7.665 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.684 -7.010 4.775 1.00 0.00 H new ATOM 0 HG LEU A 65 5.177 -5.892 6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.168 -4.174 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.451 -5.801 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.848 -5.044 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.806 -3.882 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.433 -4.706 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.062 -5.297 7.168 1.00 0.00 H new ATOM 1030 N THR A 66 1.749 -9.660 6.699 1.00 0.00 N ATOM 1031 CA THR A 66 0.918 -10.825 6.396 1.00 0.00 C ATOM 1032 C THR A 66 0.005 -10.501 5.213 1.00 0.00 C ATOM 1033 O THR A 66 0.135 -9.427 4.629 1.00 0.00 O ATOM 1034 CB THR A 66 0.125 -11.172 7.660 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.623 -10.045 8.078 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.074 -11.596 8.779 1.00 0.00 C ATOM 0 H THR A 66 1.354 -9.070 7.431 1.00 0.00 H new ATOM 0 HA THR A 66 1.521 -11.687 6.111 1.00 0.00 H new ATOM 0 HB THR A 66 -0.551 -11.997 7.435 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.130 -10.270 8.886 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.498 -11.840 9.672 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.641 -12.471 8.463 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.761 -10.780 9.002 1.00 0.00 H new ATOM 1044 N GLN A 67 -0.957 -11.365 4.863 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.940 -11.054 3.825 1.00 0.00 C ATOM 1046 C GLN A 67 -2.577 -9.673 4.030 1.00 0.00 C ATOM 1047 O GLN A 67 -2.566 -8.848 3.111 1.00 0.00 O ATOM 1048 CB GLN A 67 -3.040 -12.121 3.770 1.00 0.00 C ATOM 1049 CG GLN A 67 -2.576 -13.433 3.129 1.00 0.00 C ATOM 1050 CD GLN A 67 -3.748 -14.159 2.476 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -4.555 -14.802 3.146 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -3.892 -14.005 1.169 1.00 0.00 N ATOM 0 H GLN A 67 -1.073 -12.286 5.286 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.400 -11.044 2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.392 -12.323 4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.889 -11.730 3.209 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.808 -13.227 2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.122 -14.073 3.886 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.206 -13.466 0.640 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.689 -14.425 0.691 1.00 0.00 H new ATOM 1061 N LYS A 68 -3.117 -9.395 5.225 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.792 -8.115 5.455 1.00 0.00 C ATOM 1063 C LYS A 68 -2.768 -6.977 5.490 1.00 0.00 C ATOM 1064 O LYS A 68 -3.083 -5.853 5.103 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.620 -8.184 6.748 1.00 0.00 C ATOM 1066 CG LYS A 68 -5.748 -7.131 6.821 1.00 0.00 C ATOM 1067 CD LYS A 68 -7.163 -7.738 6.695 1.00 0.00 C ATOM 1068 CE LYS A 68 -8.245 -6.836 7.317 1.00 0.00 C ATOM 1069 NZ LYS A 68 -9.586 -7.464 7.306 1.00 0.00 N ATOM 0 H LYS A 68 -3.100 -10.024 6.028 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.478 -7.911 4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.057 -9.179 6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.956 -8.051 7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.674 -6.595 7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.603 -6.398 6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.392 -7.903 5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.182 -8.713 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.968 -6.598 8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.285 -5.893 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.276 -6.816 7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.866 -7.668 6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.559 -8.350 7.849 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.532 -7.257 5.912 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.444 -6.292 5.932 1.00 0.00 C ATOM 1085 C GLY A 69 0.009 -5.896 4.531 1.00 0.00 C ATOM 1086 O GLY A 69 0.327 -4.732 4.295 1.00 0.00 O ATOM 0 H GLY A 69 -1.261 -8.179 6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.762 -5.401 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.400 -6.712 6.479 1.00 0.00 H new ATOM 1090 N ARG A 70 0.080 -6.851 3.604 1.00 0.00 N ATOM 1091 CA ARG A 70 0.613 -6.657 2.260 1.00 0.00 C ATOM 1092 C ARG A 70 -0.338 -5.844 1.389 1.00 0.00 C ATOM 1093 O ARG A 70 0.132 -5.189 0.467 1.00 0.00 O ATOM 1094 CB ARG A 70 0.897 -8.029 1.618 1.00 0.00 C ATOM 1095 CG ARG A 70 2.095 -8.750 2.258 1.00 0.00 C ATOM 1096 CD ARG A 70 2.086 -10.259 1.994 1.00 0.00 C ATOM 1097 NE ARG A 70 3.246 -10.899 2.639 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.678 -12.153 2.490 1.00 0.00 C ATOM 1099 NH1 ARG A 70 2.950 -13.053 1.846 1.00 0.00 N ATOM 1100 NH2 ARG A 70 4.835 -12.516 3.034 1.00 0.00 N ATOM 0 H ARG A 70 -0.240 -7.804 3.773 1.00 0.00 H new ATOM 0 HA ARG A 70 1.542 -6.092 2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.011 -8.657 1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.086 -7.894 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.020 -8.323 1.871 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.088 -8.573 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.163 -10.696 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.109 -10.447 0.921 1.00 0.00 H new ATOM 0 HE ARG A 70 3.784 -10.312 3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.045 -12.792 1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.295 -14.007 1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.386 -11.838 3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.172 -13.472 2.925 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.641 -5.837 1.681 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.683 -5.208 0.871 1.00 0.00 C ATOM 1116 C GLU A 71 -2.324 -3.837 0.263 1.00 0.00 C ATOM 1117 O GLU A 71 -2.409 -3.708 -0.963 1.00 0.00 O ATOM 1118 CB GLU A 71 -3.980 -5.104 1.674 1.00 0.00 C ATOM 1119 CG GLU A 71 -4.884 -6.320 1.496 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.193 -6.072 2.229 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -6.974 -5.203 1.783 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -6.407 -6.696 3.294 1.00 0.00 O ATOM 0 H GLU A 71 -2.011 -6.286 2.519 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.805 -5.868 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.739 -4.987 2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.520 -4.208 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.073 -6.498 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.396 -7.213 1.887 1.00 0.00 H new ATOM 1129 N PRO A 72 -1.947 -2.809 1.048 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.643 -1.492 0.502 1.00 0.00 C ATOM 1131 C PRO A 72 -0.348 -1.537 -0.310 1.00 0.00 C ATOM 1132 O PRO A 72 -0.305 -1.024 -1.425 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.574 -0.552 1.709 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.209 -1.465 2.877 1.00 0.00 C ATOM 1135 CD PRO A 72 -1.817 -2.810 2.496 1.00 0.00 C ATOM 0 HA PRO A 72 -2.400 -1.138 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.826 0.227 1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.527 -0.051 1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.129 -1.537 3.005 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.618 -1.094 3.817 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.181 -3.631 2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.788 -2.946 2.973 1.00 0.00 H new ATOM 1143 N PHE A 73 0.687 -2.216 0.189 1.00 0.00 N ATOM 1144 CA PHE A 73 1.952 -2.372 -0.516 1.00 0.00 C ATOM 1145 C PHE A 73 1.749 -3.023 -1.889 1.00 0.00 C ATOM 1146 O PHE A 73 2.422 -2.661 -2.847 1.00 0.00 O ATOM 1147 CB PHE A 73 2.921 -3.192 0.342 1.00 0.00 C ATOM 1148 CG PHE A 73 3.528 -2.428 1.506 1.00 0.00 C ATOM 1149 CD1 PHE A 73 4.621 -1.571 1.272 1.00 0.00 C ATOM 1150 CD2 PHE A 73 3.017 -2.555 2.813 1.00 0.00 C ATOM 1151 CE1 PHE A 73 5.226 -0.880 2.333 1.00 0.00 C ATOM 1152 CE2 PHE A 73 3.616 -1.851 3.876 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.735 -1.032 3.640 1.00 0.00 C ATOM 0 H PHE A 73 0.666 -2.674 1.100 1.00 0.00 H new ATOM 0 HA PHE A 73 2.379 -1.384 -0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.395 -4.064 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.726 -3.562 -0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.997 -1.445 0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.166 -3.193 3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.069 -0.232 2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.215 -1.940 4.875 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.215 -0.521 4.462 1.00 0.00 H new ATOM 1163 N ILE A 74 0.816 -3.962 -2.019 1.00 0.00 N ATOM 1164 CA ILE A 74 0.442 -4.571 -3.290 1.00 0.00 C ATOM 1165 C ILE A 74 -0.122 -3.516 -4.243 1.00 0.00 C ATOM 1166 O ILE A 74 0.313 -3.451 -5.392 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.545 -5.718 -3.004 1.00 0.00 C ATOM 1168 CG1 ILE A 74 0.188 -6.916 -2.379 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.336 -6.148 -4.243 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -0.747 -7.829 -1.579 1.00 0.00 C ATOM 0 H ILE A 74 0.288 -4.328 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 74 1.314 -4.991 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.275 -5.335 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.667 -7.495 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.980 -6.551 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.014 -6.959 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.911 -5.302 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.646 -6.489 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.176 -8.658 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.207 -7.260 -0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.524 -8.219 -2.236 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.075 -2.686 -3.802 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.617 -1.636 -4.641 1.00 0.00 C ATOM 1184 C ARG A 75 -0.514 -0.662 -5.034 1.00 0.00 C ATOM 1185 O ARG A 75 -0.496 -0.232 -6.183 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.761 -0.942 -3.903 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.030 -1.805 -3.866 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.192 -1.039 -3.207 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.162 -0.497 -4.175 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.052 -1.211 -4.883 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -7.169 -2.525 -4.738 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -7.835 -0.607 -5.758 1.00 0.00 N ATOM 0 H ARG A 75 -1.480 -2.730 -2.867 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.018 -2.059 -5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.449 -0.713 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.983 0.008 -4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.308 -2.095 -4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.834 -2.724 -3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.712 -1.705 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.786 -0.220 -2.613 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.157 0.513 -4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.573 -3.020 -4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.855 -3.040 -5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.763 0.401 -5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.511 -1.149 -6.296 1.00 0.00 H new ATOM 1206 N MET A 76 0.432 -0.368 -4.136 1.00 0.00 N ATOM 1207 CA MET A 76 1.628 0.401 -4.441 1.00 0.00 C ATOM 1208 C MET A 76 2.421 -0.209 -5.610 1.00 0.00 C ATOM 1209 O MET A 76 2.843 0.537 -6.491 1.00 0.00 O ATOM 1210 CB MET A 76 2.490 0.516 -3.168 1.00 0.00 C ATOM 1211 CG MET A 76 2.771 1.962 -2.781 1.00 0.00 C ATOM 1212 SD MET A 76 4.112 2.177 -1.575 1.00 0.00 S ATOM 1213 CE MET A 76 3.189 1.981 -0.040 1.00 0.00 C ATOM 0 H MET A 76 0.381 -0.666 -3.162 1.00 0.00 H new ATOM 0 HA MET A 76 1.332 1.399 -4.764 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.983 0.015 -2.344 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.435 -0.005 -3.325 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.017 2.524 -3.682 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.860 2.398 -2.372 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.866 2.085 0.808 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.414 2.745 0.019 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.727 0.994 -0.017 1.00 0.00 H new ATOM 1223 N GLN A 77 2.627 -1.536 -5.633 1.00 0.00 N ATOM 1224 CA GLN A 77 3.395 -2.201 -6.692 1.00 0.00 C ATOM 1225 C GLN A 77 2.663 -2.065 -8.012 1.00 0.00 C ATOM 1226 O GLN A 77 3.265 -1.734 -9.031 1.00 0.00 O ATOM 1227 CB GLN A 77 3.579 -3.705 -6.432 1.00 0.00 C ATOM 1228 CG GLN A 77 4.435 -4.019 -5.209 1.00 0.00 C ATOM 1229 CD GLN A 77 4.281 -5.459 -4.741 1.00 0.00 C ATOM 1230 OE1 GLN A 77 3.712 -5.666 -3.564 1.00 0.00 O flip ATOM 1231 NE2 GLN A 77 4.713 -6.395 -5.395 1.00 0.00 N flip ATOM 0 H GLN A 77 2.267 -2.172 -4.922 1.00 0.00 H new ATOM 0 HA GLN A 77 4.373 -1.721 -6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.599 -4.165 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.035 -4.163 -7.310 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.482 -3.827 -5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.162 -3.346 -4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.150 -6.226 -6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.637 -7.346 -5.035 1.00 0.00 H new ATOM 1240 N LEU A 78 1.366 -2.366 -8.004 1.00 0.00 N ATOM 1241 CA LEU A 78 0.582 -2.339 -9.218 1.00 0.00 C ATOM 1242 C LEU A 78 0.515 -0.934 -9.757 1.00 0.00 C ATOM 1243 O LEU A 78 0.862 -0.753 -10.915 1.00 0.00 O ATOM 1244 CB LEU A 78 -0.808 -2.941 -8.982 1.00 0.00 C ATOM 1245 CG LEU A 78 -0.823 -4.427 -9.365 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -1.960 -5.146 -8.639 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -0.972 -4.583 -10.886 1.00 0.00 C ATOM 0 H LEU A 78 0.845 -2.630 -7.168 1.00 0.00 H new ATOM 0 HA LEU A 78 1.067 -2.958 -9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.087 -2.827 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.549 -2.400 -9.570 1.00 0.00 H new ATOM 0 HG LEU A 78 0.122 -4.878 -9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.961 -6.200 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.818 -5.056 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.912 -4.696 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.981 -5.642 -11.144 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.906 -4.123 -11.209 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.135 -4.095 -11.386 1.00 0.00 H new ATOM 1259 N TRP A 79 0.147 0.050 -8.937 1.00 0.00 N ATOM 1260 CA TRP A 79 -0.011 1.438 -9.346 1.00 0.00 C ATOM 1261 C TRP A 79 1.179 1.954 -10.157 1.00 0.00 C ATOM 1262 O TRP A 79 0.974 2.672 -11.135 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.228 2.305 -8.099 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.247 3.767 -8.390 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.302 4.478 -8.847 1.00 0.00 C ATOM 1266 CD2 TRP A 79 0.885 4.686 -8.356 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.887 5.763 -9.135 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.448 5.952 -8.840 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.243 4.558 -7.988 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.322 7.043 -8.960 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.120 5.654 -8.079 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.664 6.890 -8.572 1.00 0.00 C ATOM 0 H TRP A 79 -0.053 -0.103 -7.949 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.879 1.498 -10.003 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.170 2.023 -7.629 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.562 2.096 -7.378 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.307 4.102 -8.967 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.495 6.486 -9.520 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.612 3.607 -7.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.968 7.988 -9.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.149 5.546 -7.769 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.347 7.723 -8.652 1.00 0.00 H new ATOM 1283 N LEU A 80 2.401 1.550 -9.791 1.00 0.00 N ATOM 1284 CA LEU A 80 3.629 1.988 -10.450 1.00 0.00 C ATOM 1285 C LEU A 80 3.565 1.726 -11.957 1.00 0.00 C ATOM 1286 O LEU A 80 3.999 2.559 -12.754 1.00 0.00 O ATOM 1287 CB LEU A 80 4.827 1.248 -9.834 1.00 0.00 C ATOM 1288 CG LEU A 80 5.540 2.009 -8.706 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.353 0.995 -7.908 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.476 3.089 -9.254 1.00 0.00 C ATOM 0 H LEU A 80 2.563 0.902 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 80 3.745 3.061 -10.301 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.484 0.289 -9.446 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.549 1.034 -10.622 1.00 0.00 H new ATOM 0 HG LEU A 80 4.796 2.506 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.874 1.504 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.686 0.239 -7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.081 0.516 -8.563 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.961 3.605 -8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.233 2.627 -9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.901 3.806 -9.840 1.00 0.00 H new ATOM 1302 N SER A 81 3.013 0.583 -12.354 1.00 0.00 N ATOM 1303 CA SER A 81 2.814 0.214 -13.745 1.00 0.00 C ATOM 1304 C SER A 81 1.387 0.603 -14.172 1.00 0.00 C ATOM 1305 O SER A 81 1.182 1.402 -15.084 1.00 0.00 O ATOM 1306 CB SER A 81 3.103 -1.291 -13.841 1.00 0.00 C ATOM 1307 OG SER A 81 3.453 -1.700 -15.149 1.00 0.00 O ATOM 0 H SER A 81 2.685 -0.127 -11.699 1.00 0.00 H new ATOM 0 HA SER A 81 3.481 0.739 -14.429 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.913 -1.545 -13.157 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.224 -1.847 -13.515 1.00 0.00 H new ATOM 0 HG SER A 81 3.628 -2.664 -15.154 1.00 0.00 H new ATOM 1313 N ASP A 82 0.402 0.052 -13.469 1.00 0.00 N ATOM 1314 CA ASP A 82 -1.001 -0.124 -13.821 1.00 0.00 C ATOM 1315 C ASP A 82 -1.851 1.136 -13.651 1.00 0.00 C ATOM 1316 O ASP A 82 -2.933 1.219 -14.228 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.539 -1.216 -12.885 1.00 0.00 C ATOM 1318 CG ASP A 82 -2.919 -1.720 -13.290 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -2.995 -2.489 -14.273 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.885 -1.426 -12.545 1.00 0.00 O ATOM 0 H ASP A 82 0.589 -0.322 -12.539 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.063 -0.381 -14.879 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.841 -2.053 -12.874 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.585 -0.825 -11.868 1.00 0.00 H new ATOM 1325 N GLN A 83 -1.378 2.112 -12.868 1.00 0.00 N ATOM 1326 CA GLN A 83 -2.034 3.376 -12.517 1.00 0.00 C ATOM 1327 C GLN A 83 -3.447 3.295 -11.897 1.00 0.00 C ATOM 1328 O GLN A 83 -3.929 4.334 -11.440 1.00 0.00 O ATOM 1329 CB GLN A 83 -2.004 4.347 -13.713 1.00 0.00 C ATOM 1330 CG GLN A 83 -0.621 4.973 -13.972 1.00 0.00 C ATOM 1331 CD GLN A 83 -0.762 6.404 -14.499 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -1.293 7.268 -13.802 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -0.304 6.694 -15.707 1.00 0.00 N ATOM 0 H GLN A 83 -0.460 2.033 -12.431 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.433 3.758 -11.692 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.325 3.815 -14.609 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.727 5.144 -13.540 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.040 4.976 -13.050 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.072 4.367 -14.693 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.134 5.968 -16.274 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.389 7.643 -16.070 1.00 0.00 H new ATOM 1342 N LEU A 84 -4.065 2.112 -11.761 1.00 0.00 N ATOM 1343 CA LEU A 84 -5.449 1.874 -11.364 1.00 0.00 C ATOM 1344 C LEU A 84 -6.457 2.619 -12.246 1.00 0.00 C ATOM 1345 O LEU A 84 -6.797 3.769 -11.968 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.668 2.137 -9.880 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.990 1.090 -8.984 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.643 1.552 -8.436 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.902 0.792 -7.815 1.00 0.00 C ATOM 0 H LEU A 84 -3.570 1.238 -11.940 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.639 0.813 -11.528 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.284 3.126 -9.630 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.738 2.149 -9.672 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.809 0.208 -9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.216 0.768 -7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.967 1.765 -9.264 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.783 2.454 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.434 0.049 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.078 1.706 -7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.852 0.405 -8.184 1.00 0.00 H new